USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 HIS : no HE2:sc= -4.42 K(o=-6,f=-12!) USER MOD Set 1.2: A 65 THR OG1 : rot -103:sc= -1.6 USER MOD Set 2.1: A 20 SER OG : rot -75:sc= 1.22 USER MOD Set 2.2: A 33 THR OG1 : rot -10:sc= 0.748 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -2.53 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.962 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -1.36 F(o=-3.4!,f=-1.4) USER MOD Single : A 16 LYS NZ :NH3+ -112:sc= -0.0079 (180deg=-0.0851) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HE2:sc= -2.1 K(o=-2.1,f=-2.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 140:sc= 0.938 (180deg=-0.754) USER MOD Single : A 39 HIS : no HE2:sc= -9.08! C(o=-9.1!,f=-10!) USER MOD Single : A 49 GLN : amide:sc= -0.702 K(o=-0.7,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -116:sc= -1.82! USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.191) USER MOD Single : A 73 THR OG1 : rot 57:sc= -0.602 USER MOD Single : A 74 TYR OH : rot -158:sc= -0.548 USER MOD Single : A 80 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-9.1!) USER MOD Single : A 85 SER OG : rot 97:sc= 1.03 USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.102) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -6:sc= 0.891 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.397 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.194 1.160 42.121 1.00 0.00 N ATOM 2 CA ASP A 1 -5.443 1.611 40.916 1.00 0.00 C ATOM 3 C ASP A 1 -5.000 0.391 40.105 1.00 0.00 C ATOM 4 O ASP A 1 -5.300 0.273 38.933 1.00 0.00 O ATOM 5 CB ASP A 1 -4.211 2.408 41.352 1.00 0.00 C ATOM 6 CG ASP A 1 -4.568 3.892 41.441 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.085 4.296 42.470 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.318 4.600 40.479 1.00 0.00 O ATOM 0 H1 ASP A 1 -6.495 1.989 42.673 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.031 0.618 41.826 1.00 0.00 H new ATOM 0 H3 ASP A 1 -5.581 0.558 42.707 1.00 0.00 H new ATOM 0 HA ASP A 1 -6.086 2.242 40.302 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -3.857 2.050 42.319 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -3.399 2.261 40.640 1.00 0.00 H new ATOM 9 N LYS A 2 -4.290 -0.517 40.726 1.00 0.00 N ATOM 10 CA LYS A 2 -3.822 -1.735 40.000 1.00 0.00 C ATOM 11 C LYS A 2 -4.624 -2.954 40.465 1.00 0.00 C ATOM 12 O LYS A 2 -4.785 -3.913 39.734 1.00 0.00 O ATOM 13 CB LYS A 2 -2.334 -1.963 40.280 1.00 0.00 C ATOM 14 CG LYS A 2 -2.081 -1.950 41.792 1.00 0.00 C ATOM 15 CD LYS A 2 -1.631 -0.553 42.224 1.00 0.00 C ATOM 16 CE LYS A 2 -0.106 -0.458 42.136 1.00 0.00 C ATOM 17 NZ LYS A 2 0.347 0.830 42.732 1.00 0.00 N ATOM 0 H LYS A 2 -4.014 -0.466 41.707 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.970 -1.593 38.930 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.017 -2.917 39.857 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.741 -1.187 39.796 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.989 -2.232 42.325 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.318 -2.685 42.050 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.090 0.202 41.586 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.960 -0.352 43.244 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.352 -1.295 42.662 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.214 -0.522 41.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.383 0.895 42.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.080 1.623 42.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.054 0.873 43.729 1.00 0.00 H new ATOM 18 N ASP A 3 -5.129 -2.924 41.674 1.00 0.00 N ATOM 19 CA ASP A 3 -5.921 -4.080 42.189 1.00 0.00 C ATOM 20 C ASP A 3 -7.276 -4.124 41.480 1.00 0.00 C ATOM 21 O ASP A 3 -8.022 -3.164 41.489 1.00 0.00 O ATOM 22 CB ASP A 3 -6.139 -3.918 43.695 1.00 0.00 C ATOM 23 CG ASP A 3 -6.404 -5.288 44.323 1.00 0.00 C ATOM 24 OD1 ASP A 3 -7.142 -6.056 43.729 1.00 0.00 O ATOM 25 OD2 ASP A 3 -5.864 -5.544 45.387 1.00 0.00 O ATOM 0 H ASP A 3 -5.026 -2.147 42.326 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.380 -5.006 41.998 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.262 -3.460 44.153 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.981 -3.252 43.882 1.00 0.00 H new ATOM 26 N VAL A 4 -7.598 -5.237 40.867 1.00 0.00 N ATOM 27 CA VAL A 4 -8.902 -5.354 40.154 1.00 0.00 C ATOM 28 C VAL A 4 -10.001 -5.707 41.171 1.00 0.00 C ATOM 29 O VAL A 4 -10.362 -6.858 41.332 1.00 0.00 O ATOM 30 CB VAL A 4 -8.780 -6.440 39.055 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.156 -6.951 38.604 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.077 -5.837 37.840 1.00 0.00 C ATOM 0 H VAL A 4 -7.010 -6.070 40.831 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.167 -4.410 39.677 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.216 -7.275 39.471 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.027 -7.711 37.833 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.681 -7.384 39.456 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.738 -6.122 38.202 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.986 -6.593 37.060 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.659 -4.996 37.464 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.084 -5.492 38.128 1.00 0.00 H new ATOM 33 N LYS A 5 -10.546 -4.720 41.834 1.00 0.00 N ATOM 34 CA LYS A 5 -11.637 -4.991 42.812 1.00 0.00 C ATOM 35 C LYS A 5 -12.946 -5.140 42.032 1.00 0.00 C ATOM 36 O LYS A 5 -13.371 -4.230 41.343 1.00 0.00 O ATOM 37 CB LYS A 5 -11.743 -3.839 43.828 1.00 0.00 C ATOM 38 CG LYS A 5 -12.096 -2.523 43.121 1.00 0.00 C ATOM 39 CD LYS A 5 -11.895 -1.356 44.088 1.00 0.00 C ATOM 40 CE LYS A 5 -13.027 -1.344 45.117 1.00 0.00 C ATOM 41 NZ LYS A 5 -12.509 -0.841 46.421 1.00 0.00 N ATOM 0 H LYS A 5 -10.282 -3.739 41.739 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.427 -5.905 43.367 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.504 -4.073 44.573 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.798 -3.729 44.361 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.468 -2.391 42.240 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.129 -2.549 42.775 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.933 -1.449 44.592 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.878 -0.414 43.539 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.842 -0.710 44.769 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.433 -2.348 45.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.279 -0.833 47.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.745 -1.463 46.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.142 0.124 46.299 1.00 0.00 H new ATOM 42 N TYR A 6 -13.574 -6.286 42.112 1.00 0.00 N ATOM 43 CA TYR A 6 -14.838 -6.499 41.349 1.00 0.00 C ATOM 44 C TYR A 6 -16.007 -5.840 42.080 1.00 0.00 C ATOM 45 O TYR A 6 -16.055 -5.803 43.295 1.00 0.00 O ATOM 46 CB TYR A 6 -15.110 -7.997 41.204 1.00 0.00 C ATOM 47 CG TYR A 6 -13.890 -8.678 40.623 1.00 0.00 C ATOM 48 CD1 TYR A 6 -13.731 -8.763 39.233 1.00 0.00 C ATOM 49 CD2 TYR A 6 -12.916 -9.219 41.471 1.00 0.00 C ATOM 50 CE1 TYR A 6 -12.601 -9.390 38.695 1.00 0.00 C ATOM 51 CE2 TYR A 6 -11.786 -9.844 40.933 1.00 0.00 C ATOM 52 CZ TYR A 6 -11.629 -9.930 39.543 1.00 0.00 C ATOM 53 OH TYR A 6 -10.515 -10.547 39.013 1.00 0.00 O ATOM 0 H TYR A 6 -13.266 -7.081 42.672 1.00 0.00 H new ATOM 0 HA TYR A 6 -14.733 -6.051 40.361 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -15.353 -8.429 42.175 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -15.973 -8.160 40.558 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -14.480 -8.345 38.577 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.037 -9.154 42.542 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.480 -9.457 37.624 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -11.035 -10.260 41.588 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.940 -10.865 39.740 1.00 0.00 H new ATOM 54 N TYR A 7 -16.946 -5.318 41.337 1.00 0.00 N ATOM 55 CA TYR A 7 -18.126 -4.651 41.963 1.00 0.00 C ATOM 56 C TYR A 7 -19.374 -5.489 41.670 1.00 0.00 C ATOM 57 O TYR A 7 -19.606 -5.897 40.548 1.00 0.00 O ATOM 58 CB TYR A 7 -18.308 -3.238 41.383 1.00 0.00 C ATOM 59 CG TYR A 7 -16.962 -2.551 41.237 1.00 0.00 C ATOM 60 CD1 TYR A 7 -16.197 -2.758 40.084 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.481 -1.715 42.254 1.00 0.00 C ATOM 62 CE1 TYR A 7 -14.953 -2.132 39.943 1.00 0.00 C ATOM 63 CE2 TYR A 7 -15.235 -1.089 42.113 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.473 -1.297 40.958 1.00 0.00 C ATOM 65 OH TYR A 7 -13.247 -0.678 40.820 1.00 0.00 O ATOM 0 H TYR A 7 -16.947 -5.325 40.317 1.00 0.00 H new ATOM 0 HA TYR A 7 -17.970 -4.569 43.039 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -18.801 -3.297 40.413 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -18.955 -2.651 42.035 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.567 -3.403 39.301 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.070 -1.553 43.145 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.364 -2.293 39.052 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.863 -0.446 42.896 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.065 -0.133 41.614 1.00 0.00 H new ATOM 66 N THR A 8 -20.171 -5.758 42.674 1.00 0.00 N ATOM 67 CA THR A 8 -21.400 -6.583 42.467 1.00 0.00 C ATOM 68 C THR A 8 -22.314 -5.921 41.429 1.00 0.00 C ATOM 69 O THR A 8 -22.246 -4.731 41.190 1.00 0.00 O ATOM 70 CB THR A 8 -22.152 -6.718 43.792 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.036 -5.507 44.527 1.00 0.00 O ATOM 72 CG2 THR A 8 -21.554 -7.868 44.604 1.00 0.00 C ATOM 0 H THR A 8 -20.022 -5.440 43.632 1.00 0.00 H new ATOM 0 HA THR A 8 -21.108 -7.569 42.106 1.00 0.00 H new ATOM 0 HB THR A 8 -23.204 -6.924 43.594 1.00 0.00 H new ATOM 0 HG1 THR A 8 -22.519 -5.592 45.375 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.090 -7.964 45.548 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.643 -8.796 44.040 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.502 -7.664 44.803 1.00 0.00 H new ATOM 73 N LEU A 9 -23.165 -6.700 40.809 1.00 0.00 N ATOM 74 CA LEU A 9 -24.092 -6.158 39.778 1.00 0.00 C ATOM 75 C LEU A 9 -24.960 -5.049 40.381 1.00 0.00 C ATOM 76 O LEU A 9 -25.060 -3.967 39.840 1.00 0.00 O ATOM 77 CB LEU A 9 -24.992 -7.302 39.300 1.00 0.00 C ATOM 78 CG LEU A 9 -24.266 -8.226 38.296 1.00 0.00 C ATOM 79 CD1 LEU A 9 -24.262 -7.578 36.912 1.00 0.00 C ATOM 80 CD2 LEU A 9 -22.816 -8.520 38.715 1.00 0.00 C ATOM 0 H LEU A 9 -23.255 -7.702 40.979 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.522 -5.743 38.947 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -25.322 -7.887 40.158 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -25.886 -6.889 38.833 1.00 0.00 H new ATOM 0 HG LEU A 9 -24.808 -9.172 38.277 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -23.750 -8.231 36.206 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -25.289 -7.420 36.581 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -23.745 -6.620 36.960 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -22.349 -9.173 37.977 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -22.258 -7.585 38.777 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.811 -9.010 39.688 1.00 0.00 H new ATOM 81 N GLU A 10 -25.591 -5.319 41.496 1.00 0.00 N ATOM 82 CA GLU A 10 -26.463 -4.292 42.141 1.00 0.00 C ATOM 83 C GLU A 10 -25.637 -3.052 42.500 1.00 0.00 C ATOM 84 O GLU A 10 -26.165 -1.962 42.609 1.00 0.00 O ATOM 85 CB GLU A 10 -27.078 -4.877 43.414 1.00 0.00 C ATOM 86 CG GLU A 10 -28.272 -5.761 43.044 1.00 0.00 C ATOM 87 CD GLU A 10 -29.338 -5.663 44.137 1.00 0.00 C ATOM 88 OE1 GLU A 10 -30.138 -4.743 44.076 1.00 0.00 O ATOM 89 OE2 GLU A 10 -29.336 -6.508 45.017 1.00 0.00 O ATOM 0 H GLU A 10 -25.539 -6.211 41.989 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.253 -4.006 41.446 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.334 -5.461 43.955 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -27.398 -4.074 44.078 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -28.688 -5.447 42.087 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.950 -6.796 42.927 1.00 0.00 H new ATOM 90 N GLU A 11 -24.350 -3.209 42.690 1.00 0.00 N ATOM 91 CA GLU A 11 -23.493 -2.040 43.048 1.00 0.00 C ATOM 92 C GLU A 11 -23.385 -1.089 41.853 1.00 0.00 C ATOM 93 O GLU A 11 -23.303 0.113 42.016 1.00 0.00 O ATOM 94 CB GLU A 11 -22.098 -2.532 43.436 1.00 0.00 C ATOM 95 CG GLU A 11 -21.270 -1.360 43.965 1.00 0.00 C ATOM 96 CD GLU A 11 -20.232 -1.877 44.964 1.00 0.00 C ATOM 97 OE1 GLU A 11 -19.319 -2.566 44.538 1.00 0.00 O ATOM 98 OE2 GLU A 11 -20.367 -1.574 46.138 1.00 0.00 O ATOM 0 H GLU A 11 -23.857 -4.098 42.612 1.00 0.00 H new ATOM 0 HA GLU A 11 -23.941 -1.510 43.888 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.174 -3.309 44.196 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.605 -2.978 42.572 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.773 -0.850 43.140 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.920 -0.629 44.446 1.00 0.00 H new ATOM 99 N ILE A 12 -23.371 -1.620 40.657 1.00 0.00 N ATOM 100 CA ILE A 12 -23.257 -0.752 39.446 1.00 0.00 C ATOM 101 C ILE A 12 -24.627 -0.157 39.098 1.00 0.00 C ATOM 102 O ILE A 12 -24.782 1.045 38.998 1.00 0.00 O ATOM 103 CB ILE A 12 -22.750 -1.584 38.266 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.457 -2.299 38.666 1.00 0.00 C ATOM 105 CG2 ILE A 12 -22.475 -0.667 37.073 1.00 0.00 C ATOM 106 CD1 ILE A 12 -21.045 -3.269 37.557 1.00 0.00 C ATOM 0 H ILE A 12 -23.434 -2.620 40.466 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.556 0.057 39.652 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.505 -2.320 37.991 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.665 -1.571 38.839 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.603 -2.840 39.601 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -22.114 -1.261 36.233 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.394 -0.156 36.787 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.720 0.070 37.347 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.124 -3.778 37.842 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.835 -4.005 37.406 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -20.882 -2.716 36.632 1.00 0.00 H new ATOM 107 N GLN A 13 -25.615 -0.992 38.907 1.00 0.00 N ATOM 108 CA GLN A 13 -26.977 -0.490 38.557 1.00 0.00 C ATOM 109 C GLN A 13 -27.552 0.352 39.707 1.00 0.00 C ATOM 110 O GLN A 13 -28.490 1.103 39.518 1.00 0.00 O ATOM 111 CB GLN A 13 -27.902 -1.679 38.292 1.00 0.00 C ATOM 112 CG GLN A 13 -27.812 -2.077 36.817 1.00 0.00 C ATOM 113 CD GLN A 13 -26.707 -3.117 36.634 1.00 0.00 C ATOM 114 OE1 GLN A 13 -25.561 -2.774 36.418 1.00 0.00 O ATOM 115 NE2 GLN A 13 -27.003 -4.386 36.714 1.00 0.00 N ATOM 0 H GLN A 13 -25.536 -2.006 38.979 1.00 0.00 H new ATOM 0 HA GLN A 13 -26.904 0.133 37.666 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -27.620 -2.521 38.925 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -28.929 -1.418 38.547 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -28.766 -2.482 36.480 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -27.604 -1.199 36.205 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -27.964 -4.675 36.895 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -26.273 -5.088 36.595 1.00 0.00 H new ATOM 116 N LYS A 14 -27.004 0.232 40.895 1.00 0.00 N ATOM 117 CA LYS A 14 -27.527 1.025 42.051 1.00 0.00 C ATOM 118 C LYS A 14 -27.438 2.524 41.738 1.00 0.00 C ATOM 119 O LYS A 14 -28.203 3.317 42.255 1.00 0.00 O ATOM 120 CB LYS A 14 -26.693 0.710 43.302 1.00 0.00 C ATOM 121 CG LYS A 14 -27.491 -0.202 44.239 1.00 0.00 C ATOM 122 CD LYS A 14 -28.531 0.626 44.997 1.00 0.00 C ATOM 123 CE LYS A 14 -29.785 -0.220 45.230 1.00 0.00 C ATOM 124 NZ LYS A 14 -30.743 0.538 46.083 1.00 0.00 N ATOM 0 H LYS A 14 -26.218 -0.381 41.112 1.00 0.00 H new ATOM 0 HA LYS A 14 -28.569 0.759 42.229 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -25.759 0.226 43.016 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.428 1.634 43.816 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -27.984 -0.987 43.666 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.820 -0.694 44.943 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -28.122 0.959 45.951 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -28.784 1.521 44.429 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -30.250 -0.471 44.277 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -29.518 -1.161 45.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -31.596 -0.036 46.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -30.297 0.756 46.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -31.006 1.424 45.606 1.00 0.00 H new ATOM 125 N HIS A 15 -26.511 2.916 40.900 1.00 0.00 N ATOM 126 CA HIS A 15 -26.370 4.360 40.556 1.00 0.00 C ATOM 127 C HIS A 15 -27.428 4.737 39.505 1.00 0.00 C ATOM 128 O HIS A 15 -28.505 5.192 39.844 1.00 0.00 O ATOM 129 CB HIS A 15 -24.957 4.622 40.018 1.00 0.00 C ATOM 130 CG HIS A 15 -23.948 4.370 41.106 1.00 0.00 C ATOM 131 ND1 HIS A 15 -23.950 3.517 42.182 1.00 0.00 N flip ATOM 132 CD2 HIS A 15 -22.739 5.044 41.159 1.00 0.00 C flip ATOM 133 CE1 HIS A 15 -22.762 3.656 42.892 1.00 0.00 C flip ATOM 134 NE2 HIS A 15 -22.069 4.587 42.233 1.00 0.00 N flip ATOM 0 H HIS A 15 -25.845 2.295 40.439 1.00 0.00 H new ATOM 0 HA HIS A 15 -26.523 4.972 41.445 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -24.756 3.974 39.165 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -24.876 5.650 39.664 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -22.397 5.798 40.466 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -22.465 3.125 43.784 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -21.143 4.913 42.510 1.00 0.00 H new ATOM 135 N LYS A 16 -27.142 4.548 38.232 1.00 0.00 N ATOM 136 CA LYS A 16 -28.137 4.889 37.163 1.00 0.00 C ATOM 137 C LYS A 16 -28.666 6.318 37.350 1.00 0.00 C ATOM 138 O LYS A 16 -29.763 6.637 36.931 1.00 0.00 O ATOM 139 CB LYS A 16 -29.308 3.905 37.229 1.00 0.00 C ATOM 140 CG LYS A 16 -28.997 2.681 36.365 1.00 0.00 C ATOM 141 CD LYS A 16 -29.166 3.044 34.889 1.00 0.00 C ATOM 142 CE LYS A 16 -28.188 2.223 34.045 1.00 0.00 C ATOM 143 NZ LYS A 16 -28.539 0.778 34.143 1.00 0.00 N ATOM 0 H LYS A 16 -26.258 4.171 37.890 1.00 0.00 H new ATOM 0 HA LYS A 16 -27.644 4.822 36.193 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.482 3.600 38.261 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -30.221 4.387 36.880 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -27.979 2.339 36.552 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -29.663 1.859 36.627 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -30.190 2.849 34.571 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -28.984 4.109 34.742 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.227 2.548 33.005 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.167 2.385 34.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -27.792 0.274 34.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.442 0.674 34.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.628 0.377 33.188 1.00 0.00 H new ATOM 144 N ASP A 17 -27.896 7.174 37.975 1.00 0.00 N ATOM 145 CA ASP A 17 -28.357 8.577 38.191 1.00 0.00 C ATOM 146 C ASP A 17 -28.079 9.406 36.922 1.00 0.00 C ATOM 147 O ASP A 17 -28.909 9.469 36.035 1.00 0.00 O ATOM 148 CB ASP A 17 -27.636 9.165 39.416 1.00 0.00 C ATOM 149 CG ASP A 17 -28.072 10.618 39.632 1.00 0.00 C ATOM 150 OD1 ASP A 17 -27.479 11.491 39.022 1.00 0.00 O ATOM 151 OD2 ASP A 17 -28.992 10.830 40.405 1.00 0.00 O ATOM 0 H ASP A 17 -26.969 6.961 38.344 1.00 0.00 H new ATOM 0 HA ASP A 17 -29.430 8.599 38.383 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -27.864 8.572 40.302 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -26.557 9.118 39.271 1.00 0.00 H new ATOM 152 N SER A 18 -26.929 10.039 36.820 1.00 0.00 N ATOM 153 CA SER A 18 -26.615 10.858 35.604 1.00 0.00 C ATOM 154 C SER A 18 -25.283 11.584 35.814 1.00 0.00 C ATOM 155 O SER A 18 -24.378 11.484 35.007 1.00 0.00 O ATOM 156 CB SER A 18 -27.720 11.896 35.367 1.00 0.00 C ATOM 157 OG SER A 18 -27.265 12.867 34.434 1.00 0.00 O ATOM 0 H SER A 18 -26.195 10.022 37.528 1.00 0.00 H new ATOM 0 HA SER A 18 -26.550 10.199 34.738 1.00 0.00 H new ATOM 0 HB2 SER A 18 -28.618 11.407 34.990 1.00 0.00 H new ATOM 0 HB3 SER A 18 -27.989 12.377 36.307 1.00 0.00 H new ATOM 0 HG SER A 18 -27.971 13.529 34.281 1.00 0.00 H new ATOM 158 N LYS A 19 -25.166 12.319 36.890 1.00 0.00 N ATOM 159 CA LYS A 19 -23.904 13.065 37.164 1.00 0.00 C ATOM 160 C LYS A 19 -22.741 12.083 37.324 1.00 0.00 C ATOM 161 O LYS A 19 -21.827 12.055 36.521 1.00 0.00 O ATOM 162 CB LYS A 19 -24.062 13.878 38.450 1.00 0.00 C ATOM 163 CG LYS A 19 -22.847 14.790 38.634 1.00 0.00 C ATOM 164 CD LYS A 19 -23.155 16.173 38.056 1.00 0.00 C ATOM 165 CE LYS A 19 -22.454 17.245 38.895 1.00 0.00 C ATOM 166 NZ LYS A 19 -23.264 18.495 38.879 1.00 0.00 N ATOM 0 H LYS A 19 -25.895 12.434 37.594 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.696 13.734 36.329 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -24.973 14.474 38.405 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -24.160 13.209 39.305 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.598 14.873 39.692 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.978 14.361 38.135 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.819 16.229 37.021 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.231 16.346 38.052 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.326 16.895 39.919 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.458 17.439 38.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.789 19.224 39.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.364 18.831 37.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -24.205 18.304 39.277 1.00 0.00 H new ATOM 167 N SER A 20 -22.767 11.283 38.360 1.00 0.00 N ATOM 168 CA SER A 20 -21.660 10.304 38.582 1.00 0.00 C ATOM 169 C SER A 20 -22.184 8.878 38.407 1.00 0.00 C ATOM 170 O SER A 20 -22.938 8.381 39.221 1.00 0.00 O ATOM 171 CB SER A 20 -21.116 10.472 40.002 1.00 0.00 C ATOM 172 OG SER A 20 -20.737 11.826 40.203 1.00 0.00 O ATOM 0 H SER A 20 -23.507 11.266 39.062 1.00 0.00 H new ATOM 0 HA SER A 20 -20.867 10.487 37.857 1.00 0.00 H new ATOM 0 HB2 SER A 20 -21.873 10.183 40.730 1.00 0.00 H new ATOM 0 HB3 SER A 20 -20.259 9.816 40.155 1.00 0.00 H new ATOM 0 HG SER A 20 -19.894 12.002 39.736 1.00 0.00 H new ATOM 173 N THR A 21 -21.779 8.215 37.353 1.00 0.00 N ATOM 174 CA THR A 21 -22.239 6.816 37.121 1.00 0.00 C ATOM 175 C THR A 21 -21.131 6.025 36.415 1.00 0.00 C ATOM 176 O THR A 21 -20.104 6.571 36.038 1.00 0.00 O ATOM 177 CB THR A 21 -23.519 6.826 36.267 1.00 0.00 C ATOM 178 OG1 THR A 21 -24.024 5.503 36.158 1.00 0.00 O ATOM 179 CG2 THR A 21 -23.223 7.375 34.870 1.00 0.00 C ATOM 0 H THR A 21 -21.148 8.585 36.642 1.00 0.00 H new ATOM 0 HA THR A 21 -22.460 6.339 38.076 1.00 0.00 H new ATOM 0 HB THR A 21 -24.259 7.466 36.748 1.00 0.00 H new ATOM 0 HG1 THR A 21 -24.840 5.508 35.616 1.00 0.00 H new ATOM 0 HG21 THR A 21 -24.138 7.376 34.278 1.00 0.00 H new ATOM 0 HG22 THR A 21 -22.843 8.393 34.952 1.00 0.00 H new ATOM 0 HG23 THR A 21 -22.476 6.748 34.383 1.00 0.00 H new ATOM 180 N TRP A 22 -21.330 4.744 36.232 1.00 0.00 N ATOM 181 CA TRP A 22 -20.289 3.917 35.551 1.00 0.00 C ATOM 182 C TRP A 22 -20.894 3.278 34.296 1.00 0.00 C ATOM 183 O TRP A 22 -22.076 3.399 34.037 1.00 0.00 O ATOM 184 CB TRP A 22 -19.770 2.802 36.483 1.00 0.00 C ATOM 185 CG TRP A 22 -19.641 3.278 37.906 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.313 4.535 38.297 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.821 2.509 39.132 1.00 0.00 C ATOM 188 NE1 TRP A 22 -19.286 4.583 39.678 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.592 3.360 40.238 1.00 0.00 C ATOM 190 CE3 TRP A 22 -20.160 1.168 39.387 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.695 2.899 41.550 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -20.265 0.700 40.706 1.00 0.00 C ATOM 193 CH2 TRP A 22 -20.033 1.564 41.786 1.00 0.00 C ATOM 0 H TRP A 22 -22.166 4.237 36.524 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.454 4.565 35.284 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.449 1.951 36.445 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.801 2.453 36.127 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -19.106 5.364 37.636 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -19.067 5.421 40.217 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -20.341 0.494 38.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.515 3.569 42.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.526 -0.332 40.890 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -20.115 1.198 42.799 1.00 0.00 H new ATOM 194 N VAL A 23 -20.088 2.597 33.521 1.00 0.00 N ATOM 195 CA VAL A 23 -20.601 1.942 32.279 1.00 0.00 C ATOM 196 C VAL A 23 -19.790 0.671 32.007 1.00 0.00 C ATOM 197 O VAL A 23 -18.579 0.671 32.097 1.00 0.00 O ATOM 198 CB VAL A 23 -20.462 2.909 31.096 1.00 0.00 C ATOM 199 CG1 VAL A 23 -21.010 2.262 29.821 1.00 0.00 C ATOM 200 CG2 VAL A 23 -21.249 4.187 31.391 1.00 0.00 C ATOM 0 H VAL A 23 -19.092 2.466 33.696 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.652 1.681 32.407 1.00 0.00 H new ATOM 0 HB VAL A 23 -19.408 3.147 30.952 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -20.907 2.956 28.987 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -20.451 1.351 29.606 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -22.063 2.017 29.961 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.152 4.876 30.552 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -22.301 3.941 31.539 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -20.856 4.656 32.293 1.00 0.00 H new ATOM 201 N ILE A 24 -20.451 -0.407 31.668 1.00 0.00 N ATOM 202 CA ILE A 24 -19.721 -1.678 31.387 1.00 0.00 C ATOM 203 C ILE A 24 -19.134 -1.620 29.974 1.00 0.00 C ATOM 204 O ILE A 24 -19.805 -1.247 29.031 1.00 0.00 O ATOM 205 CB ILE A 24 -20.688 -2.859 31.494 1.00 0.00 C ATOM 206 CG1 ILE A 24 -21.383 -2.830 32.861 1.00 0.00 C ATOM 207 CG2 ILE A 24 -19.912 -4.169 31.342 1.00 0.00 C ATOM 208 CD1 ILE A 24 -22.754 -2.165 32.726 1.00 0.00 C ATOM 0 H ILE A 24 -21.465 -0.461 31.574 1.00 0.00 H new ATOM 0 HA ILE A 24 -18.917 -1.806 32.111 1.00 0.00 H new ATOM 0 HB ILE A 24 -21.437 -2.788 30.706 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -21.496 -3.844 33.244 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -20.772 -2.284 33.579 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -20.600 -5.011 31.418 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.420 -4.190 30.370 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.162 -4.241 32.130 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -23.246 -2.145 33.698 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -22.629 -1.145 32.362 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.365 -2.730 32.022 1.00 0.00 H new ATOM 209 N LEU A 25 -17.884 -1.982 29.827 1.00 0.00 N ATOM 210 CA LEU A 25 -17.243 -1.945 28.479 1.00 0.00 C ATOM 211 C LEU A 25 -16.189 -3.052 28.380 1.00 0.00 C ATOM 212 O LEU A 25 -15.208 -3.051 29.100 1.00 0.00 O ATOM 213 CB LEU A 25 -16.578 -0.577 28.275 1.00 0.00 C ATOM 214 CG LEU A 25 -16.866 -0.062 26.862 1.00 0.00 C ATOM 215 CD1 LEU A 25 -18.365 0.201 26.709 1.00 0.00 C ATOM 216 CD2 LEU A 25 -16.100 1.241 26.632 1.00 0.00 C ATOM 0 H LEU A 25 -17.280 -2.302 30.584 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.998 -2.102 27.709 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.952 0.132 29.013 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.502 -0.660 28.429 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.550 -0.808 26.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -18.569 0.568 25.703 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -18.916 -0.725 26.877 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -18.680 0.948 27.438 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -16.303 1.610 25.627 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.419 1.984 27.363 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.031 1.059 26.742 1.00 0.00 H new ATOM 217 N HIS A 26 -16.384 -3.992 27.489 1.00 0.00 N ATOM 218 CA HIS A 26 -15.398 -5.105 27.326 1.00 0.00 C ATOM 219 C HIS A 26 -15.254 -5.872 28.645 1.00 0.00 C ATOM 220 O HIS A 26 -14.162 -6.206 29.065 1.00 0.00 O ATOM 221 CB HIS A 26 -14.040 -4.527 26.914 1.00 0.00 C ATOM 222 CG HIS A 26 -13.950 -4.477 25.413 1.00 0.00 C ATOM 223 ND1 HIS A 26 -13.418 -5.518 24.669 1.00 0.00 N ATOM 224 CD2 HIS A 26 -14.319 -3.517 24.505 1.00 0.00 C ATOM 225 CE1 HIS A 26 -13.482 -5.164 23.373 1.00 0.00 C ATOM 226 NE2 HIS A 26 -14.022 -3.953 23.217 1.00 0.00 N ATOM 0 H HIS A 26 -17.189 -4.037 26.864 1.00 0.00 H new ATOM 0 HA HIS A 26 -15.752 -5.789 26.554 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.917 -3.527 27.330 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.234 -5.141 27.317 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.771 -2.568 24.752 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.138 -5.784 22.558 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.182 -3.454 22.342 1.00 0.00 H new ATOM 227 N HIS A 27 -16.354 -6.159 29.300 1.00 0.00 N ATOM 228 CA HIS A 27 -16.295 -6.909 30.592 1.00 0.00 C ATOM 229 C HIS A 27 -15.463 -6.119 31.612 1.00 0.00 C ATOM 230 O HIS A 27 -14.444 -6.582 32.091 1.00 0.00 O ATOM 231 CB HIS A 27 -15.661 -8.285 30.358 1.00 0.00 C ATOM 232 CG HIS A 27 -15.761 -9.105 31.616 1.00 0.00 C ATOM 233 ND1 HIS A 27 -14.731 -9.170 32.539 1.00 0.00 N ATOM 234 CD2 HIS A 27 -16.765 -9.897 32.115 1.00 0.00 C ATOM 235 CE1 HIS A 27 -15.132 -9.977 33.539 1.00 0.00 C ATOM 236 NE2 HIS A 27 -16.365 -10.448 33.330 1.00 0.00 N ATOM 0 H HIS A 27 -17.293 -5.904 28.993 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.305 -7.040 30.981 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.166 -8.795 29.538 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.617 -8.171 30.068 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -13.832 -8.693 32.473 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.719 -10.067 31.638 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.531 -10.215 34.404 1.00 0.00 H new ATOM 237 N LYS A 28 -15.895 -4.929 31.944 1.00 0.00 N ATOM 238 CA LYS A 28 -15.141 -4.100 32.929 1.00 0.00 C ATOM 239 C LYS A 28 -16.069 -3.020 33.495 1.00 0.00 C ATOM 240 O LYS A 28 -17.192 -2.865 33.053 1.00 0.00 O ATOM 241 CB LYS A 28 -13.945 -3.439 32.231 1.00 0.00 C ATOM 242 CG LYS A 28 -12.656 -4.175 32.610 1.00 0.00 C ATOM 243 CD LYS A 28 -11.711 -4.206 31.405 1.00 0.00 C ATOM 244 CE LYS A 28 -10.292 -4.527 31.877 1.00 0.00 C ATOM 245 NZ LYS A 28 -9.550 -3.257 32.117 1.00 0.00 N ATOM 0 H LYS A 28 -16.741 -4.496 31.573 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.780 -4.731 33.741 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.084 -3.462 31.150 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.876 -2.391 32.521 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.174 -3.676 33.451 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.886 -5.191 32.931 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.045 -4.955 30.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.726 -3.244 30.893 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.327 -5.119 32.792 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.775 -5.127 31.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.585 -3.474 32.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.506 -2.708 31.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.040 -2.701 32.846 1.00 0.00 H new ATOM 246 N VAL A 29 -15.602 -2.272 34.461 1.00 0.00 N ATOM 247 CA VAL A 29 -16.445 -1.195 35.058 1.00 0.00 C ATOM 248 C VAL A 29 -15.795 0.147 34.745 1.00 0.00 C ATOM 249 O VAL A 29 -14.615 0.337 34.969 1.00 0.00 O ATOM 250 CB VAL A 29 -16.540 -1.392 36.576 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.617 -0.468 37.147 1.00 0.00 C ATOM 252 CG2 VAL A 29 -16.906 -2.850 36.887 1.00 0.00 C ATOM 0 H VAL A 29 -14.669 -2.362 34.863 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.452 -1.228 34.642 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.577 -1.154 37.029 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -17.683 -0.609 38.226 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.358 0.569 36.932 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.578 -0.704 36.691 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -16.973 -2.986 37.966 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -17.867 -3.089 36.431 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.139 -3.512 36.485 1.00 0.00 H new ATOM 253 N TYR A 30 -16.545 1.071 34.202 1.00 0.00 N ATOM 254 CA TYR A 30 -15.954 2.390 33.842 1.00 0.00 C ATOM 255 C TYR A 30 -16.563 3.510 34.673 1.00 0.00 C ATOM 256 O TYR A 30 -17.561 4.089 34.297 1.00 0.00 O ATOM 257 CB TYR A 30 -16.220 2.682 32.366 1.00 0.00 C ATOM 258 CG TYR A 30 -15.338 1.813 31.515 1.00 0.00 C ATOM 259 CD1 TYR A 30 -15.502 0.425 31.531 1.00 0.00 C ATOM 260 CD2 TYR A 30 -14.355 2.396 30.711 1.00 0.00 C ATOM 261 CE1 TYR A 30 -14.683 -0.383 30.741 1.00 0.00 C ATOM 262 CE2 TYR A 30 -13.534 1.589 29.918 1.00 0.00 C ATOM 263 CZ TYR A 30 -13.697 0.198 29.933 1.00 0.00 C ATOM 264 OH TYR A 30 -12.887 -0.600 29.150 1.00 0.00 O ATOM 0 H TYR A 30 -17.538 0.968 33.994 1.00 0.00 H new ATOM 0 HA TYR A 30 -14.883 2.344 34.039 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.268 2.495 32.131 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.028 3.733 32.152 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.262 -0.022 32.154 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.230 3.469 30.702 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.809 -1.456 30.753 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.775 2.038 29.294 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.258 -0.038 28.651 1.00 0.00 H new ATOM 265 N ASP A 31 -15.942 3.857 35.766 1.00 0.00 N ATOM 266 CA ASP A 31 -16.458 4.988 36.583 1.00 0.00 C ATOM 267 C ASP A 31 -15.978 6.256 35.894 1.00 0.00 C ATOM 268 O ASP A 31 -14.838 6.655 36.048 1.00 0.00 O ATOM 269 CB ASP A 31 -15.899 4.916 38.004 1.00 0.00 C ATOM 270 CG ASP A 31 -16.670 5.882 38.907 1.00 0.00 C ATOM 271 OD1 ASP A 31 -17.070 6.928 38.422 1.00 0.00 O ATOM 272 OD2 ASP A 31 -16.847 5.560 40.071 1.00 0.00 O ATOM 0 H ASP A 31 -15.101 3.407 36.127 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.545 4.960 36.660 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.982 3.899 38.387 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.839 5.171 38.002 1.00 0.00 H new ATOM 273 N LEU A 32 -16.814 6.860 35.088 1.00 0.00 N ATOM 274 CA LEU A 32 -16.366 8.071 34.336 1.00 0.00 C ATOM 275 C LEU A 32 -17.190 9.292 34.752 1.00 0.00 C ATOM 276 O LEU A 32 -17.682 10.033 33.920 1.00 0.00 O ATOM 277 CB LEU A 32 -16.498 7.845 32.808 1.00 0.00 C ATOM 278 CG LEU A 32 -16.363 6.350 32.440 1.00 0.00 C ATOM 279 CD1 LEU A 32 -17.749 5.771 32.156 1.00 0.00 C ATOM 280 CD2 LEU A 32 -15.488 6.192 31.189 1.00 0.00 C ATOM 0 H LEU A 32 -17.777 6.571 34.919 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.318 8.251 34.575 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.463 8.219 32.466 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.732 8.419 32.287 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.900 5.820 33.273 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.657 4.716 31.896 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.375 5.873 33.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -18.206 6.310 31.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.399 5.135 30.938 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.945 6.726 30.356 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.497 6.603 31.384 1.00 0.00 H new ATOM 281 N THR A 33 -17.320 9.524 36.035 1.00 0.00 N ATOM 282 CA THR A 33 -18.083 10.717 36.508 1.00 0.00 C ATOM 283 C THR A 33 -17.363 11.982 36.029 1.00 0.00 C ATOM 284 O THR A 33 -17.977 13.008 35.804 1.00 0.00 O ATOM 285 CB THR A 33 -18.156 10.713 38.038 1.00 0.00 C ATOM 286 OG1 THR A 33 -18.725 11.936 38.486 1.00 0.00 O ATOM 287 CG2 THR A 33 -16.749 10.560 38.623 1.00 0.00 C ATOM 0 H THR A 33 -16.930 8.938 36.774 1.00 0.00 H new ATOM 0 HA THR A 33 -19.096 10.691 36.107 1.00 0.00 H new ATOM 0 HB THR A 33 -18.775 9.879 38.368 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.796 12.559 37.733 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.806 10.558 39.712 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.313 9.622 38.280 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.126 11.392 38.294 1.00 0.00 H new ATOM 288 N LYS A 34 -16.065 11.906 35.855 1.00 0.00 N ATOM 289 CA LYS A 34 -15.299 13.086 35.369 1.00 0.00 C ATOM 290 C LYS A 34 -15.464 13.175 33.850 1.00 0.00 C ATOM 291 O LYS A 34 -15.536 14.249 33.284 1.00 0.00 O ATOM 292 CB LYS A 34 -13.816 12.919 35.721 1.00 0.00 C ATOM 293 CG LYS A 34 -13.236 14.265 36.163 1.00 0.00 C ATOM 294 CD LYS A 34 -12.565 14.950 34.970 1.00 0.00 C ATOM 295 CE LYS A 34 -11.073 14.605 34.951 1.00 0.00 C ATOM 296 NZ LYS A 34 -10.291 15.798 34.522 1.00 0.00 N ATOM 0 H LYS A 34 -15.505 11.072 36.031 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.671 13.996 35.840 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.702 12.184 36.518 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.268 12.542 34.858 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.027 14.900 36.563 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.512 14.115 36.964 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.035 14.627 34.041 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.698 16.030 35.036 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.751 14.283 35.941 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.890 13.773 34.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.422 15.866 35.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.041 15.706 33.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.863 16.656 34.660 1.00 0.00 H new ATOM 297 N PHE A 35 -15.542 12.042 33.195 1.00 0.00 N ATOM 298 CA PHE A 35 -15.728 12.037 31.714 1.00 0.00 C ATOM 299 C PHE A 35 -17.101 12.624 31.376 1.00 0.00 C ATOM 300 O PHE A 35 -17.322 13.121 30.289 1.00 0.00 O ATOM 301 CB PHE A 35 -15.644 10.602 31.194 1.00 0.00 C ATOM 302 CG PHE A 35 -15.574 10.612 29.685 1.00 0.00 C ATOM 303 CD1 PHE A 35 -16.737 10.817 28.931 1.00 0.00 C ATOM 304 CD2 PHE A 35 -14.347 10.414 29.040 1.00 0.00 C ATOM 305 CE1 PHE A 35 -16.672 10.823 27.534 1.00 0.00 C ATOM 306 CE2 PHE A 35 -14.284 10.421 27.641 1.00 0.00 C ATOM 307 CZ PHE A 35 -15.445 10.626 26.889 1.00 0.00 C ATOM 0 H PHE A 35 -15.484 11.119 33.625 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.948 12.637 31.245 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -14.765 10.107 31.605 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -16.514 10.034 31.524 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -17.683 10.970 29.428 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -13.450 10.256 29.621 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.569 10.980 26.953 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -13.338 10.268 27.143 1.00 0.00 H new ATOM 0 HZ PHE A 35 -15.395 10.632 25.810 1.00 0.00 H new ATOM 308 N LEU A 36 -18.030 12.575 32.306 1.00 0.00 N ATOM 309 CA LEU A 36 -19.394 13.134 32.059 1.00 0.00 C ATOM 310 C LEU A 36 -19.271 14.597 31.609 1.00 0.00 C ATOM 311 O LEU A 36 -20.087 15.097 30.857 1.00 0.00 O ATOM 312 CB LEU A 36 -20.200 13.062 33.365 1.00 0.00 C ATOM 313 CG LEU A 36 -21.170 11.871 33.344 1.00 0.00 C ATOM 314 CD1 LEU A 36 -22.193 12.055 32.215 1.00 0.00 C ATOM 315 CD2 LEU A 36 -20.402 10.556 33.141 1.00 0.00 C ATOM 0 H LEU A 36 -17.896 12.168 33.232 1.00 0.00 H new ATOM 0 HA LEU A 36 -19.898 12.561 31.281 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -19.520 12.968 34.212 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -20.758 13.988 33.505 1.00 0.00 H new ATOM 0 HG LEU A 36 -21.691 11.827 34.301 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -22.879 11.208 32.204 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -22.755 12.975 32.379 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -21.673 12.113 31.259 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -21.104 9.723 33.129 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -19.864 10.591 32.194 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -19.692 10.420 33.957 1.00 0.00 H new ATOM 316 N GLU A 37 -18.247 15.274 32.064 1.00 0.00 N ATOM 317 CA GLU A 37 -18.044 16.698 31.672 1.00 0.00 C ATOM 318 C GLU A 37 -16.592 16.915 31.216 1.00 0.00 C ATOM 319 O GLU A 37 -16.127 18.037 31.134 1.00 0.00 O ATOM 320 CB GLU A 37 -18.343 17.598 32.870 1.00 0.00 C ATOM 321 CG GLU A 37 -17.484 17.170 34.063 1.00 0.00 C ATOM 322 CD GLU A 37 -17.117 18.400 34.895 1.00 0.00 C ATOM 323 OE1 GLU A 37 -17.978 18.880 35.616 1.00 0.00 O ATOM 324 OE2 GLU A 37 -15.985 18.841 34.798 1.00 0.00 O ATOM 0 H GLU A 37 -17.539 14.897 32.694 1.00 0.00 H new ATOM 0 HA GLU A 37 -18.715 16.945 30.850 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.138 18.638 32.616 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.400 17.536 33.129 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.027 16.452 34.677 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.580 16.671 33.713 1.00 0.00 H new ATOM 325 N GLU A 38 -15.875 15.856 30.917 1.00 0.00 N ATOM 326 CA GLU A 38 -14.460 16.008 30.465 1.00 0.00 C ATOM 327 C GLU A 38 -14.438 16.401 28.983 1.00 0.00 C ATOM 328 O GLU A 38 -13.500 17.017 28.513 1.00 0.00 O ATOM 329 CB GLU A 38 -13.707 14.683 30.656 1.00 0.00 C ATOM 330 CG GLU A 38 -12.226 14.888 30.337 1.00 0.00 C ATOM 331 CD GLU A 38 -11.530 15.540 31.535 1.00 0.00 C ATOM 332 OE1 GLU A 38 -11.883 16.661 31.860 1.00 0.00 O ATOM 333 OE2 GLU A 38 -10.657 14.906 32.104 1.00 0.00 O ATOM 0 H GLU A 38 -16.212 14.894 30.968 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.974 16.784 31.056 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.824 14.330 31.681 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.127 13.916 30.005 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.757 13.931 30.107 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.117 15.517 29.453 1.00 0.00 H new ATOM 334 N HIS A 39 -15.464 16.051 28.244 1.00 0.00 N ATOM 335 CA HIS A 39 -15.504 16.403 26.793 1.00 0.00 C ATOM 336 C HIS A 39 -16.885 16.987 26.448 1.00 0.00 C ATOM 337 O HIS A 39 -17.774 16.253 26.061 1.00 0.00 O ATOM 338 CB HIS A 39 -15.260 15.150 25.946 1.00 0.00 C ATOM 339 CG HIS A 39 -14.026 14.442 26.433 1.00 0.00 C ATOM 340 ND1 HIS A 39 -14.027 13.670 27.583 1.00 0.00 N ATOM 341 CD2 HIS A 39 -12.745 14.386 25.943 1.00 0.00 C ATOM 342 CE1 HIS A 39 -12.783 13.187 27.747 1.00 0.00 C ATOM 343 NE2 HIS A 39 -11.961 13.593 26.775 1.00 0.00 N ATOM 0 H HIS A 39 -16.275 15.536 28.586 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.728 17.138 26.581 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.121 14.484 26.007 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -15.144 15.425 24.898 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -14.826 13.499 28.194 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -12.399 14.882 25.048 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.484 12.548 28.565 1.00 0.00 H new ATOM 344 N PRO A 40 -17.036 18.292 26.591 1.00 0.00 N ATOM 345 CA PRO A 40 -18.319 19.000 26.295 1.00 0.00 C ATOM 346 C PRO A 40 -18.430 19.299 24.796 1.00 0.00 C ATOM 347 O PRO A 40 -18.008 20.340 24.331 1.00 0.00 O ATOM 348 CB PRO A 40 -18.205 20.288 27.099 1.00 0.00 C ATOM 349 CG PRO A 40 -16.723 20.558 27.311 1.00 0.00 C ATOM 350 CD PRO A 40 -15.972 19.246 27.062 1.00 0.00 C ATOM 0 HA PRO A 40 -19.203 18.417 26.554 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.674 21.116 26.568 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -18.719 20.191 28.055 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.374 21.334 26.630 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.540 20.917 28.324 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.190 19.371 26.313 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.489 18.886 27.970 1.00 0.00 H new ATOM 351 N GLY A 41 -18.997 18.390 24.042 1.00 0.00 N ATOM 352 CA GLY A 41 -19.141 18.612 22.573 1.00 0.00 C ATOM 353 C GLY A 41 -20.524 18.144 22.117 1.00 0.00 C ATOM 354 O GLY A 41 -21.206 18.828 21.378 1.00 0.00 O ATOM 0 H GLY A 41 -19.367 17.502 24.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -19.008 19.668 22.340 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.366 18.067 22.035 1.00 0.00 H new ATOM 355 N GLY A 42 -20.940 16.982 22.552 1.00 0.00 N ATOM 356 CA GLY A 42 -22.278 16.459 22.149 1.00 0.00 C ATOM 357 C GLY A 42 -22.100 15.198 21.301 1.00 0.00 C ATOM 358 O GLY A 42 -22.488 15.156 20.149 1.00 0.00 O ATOM 0 H GLY A 42 -20.407 16.371 23.172 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -22.874 16.234 23.034 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -22.821 17.216 21.584 1.00 0.00 H new ATOM 359 N GLU A 43 -21.517 14.172 21.867 1.00 0.00 N ATOM 360 CA GLU A 43 -21.309 12.907 21.104 1.00 0.00 C ATOM 361 C GLU A 43 -22.137 11.787 21.751 1.00 0.00 C ATOM 362 O GLU A 43 -23.081 12.049 22.473 1.00 0.00 O ATOM 363 CB GLU A 43 -19.814 12.555 21.112 1.00 0.00 C ATOM 364 CG GLU A 43 -19.320 12.386 22.554 1.00 0.00 C ATOM 365 CD GLU A 43 -18.637 13.675 23.022 1.00 0.00 C ATOM 366 OE1 GLU A 43 -19.041 14.736 22.574 1.00 0.00 O ATOM 367 OE2 GLU A 43 -17.721 13.578 23.822 1.00 0.00 O ATOM 0 H GLU A 43 -21.175 14.157 22.828 1.00 0.00 H new ATOM 0 HA GLU A 43 -21.634 13.029 20.071 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -19.646 11.635 20.552 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -19.245 13.340 20.614 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -20.158 12.148 23.210 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -18.622 11.551 22.614 1.00 0.00 H new ATOM 368 N GLU A 44 -21.801 10.544 21.498 1.00 0.00 N ATOM 369 CA GLU A 44 -22.583 9.415 22.103 1.00 0.00 C ATOM 370 C GLU A 44 -21.839 8.861 23.325 1.00 0.00 C ATOM 371 O GLU A 44 -21.548 7.681 23.407 1.00 0.00 O ATOM 372 CB GLU A 44 -22.822 8.286 21.074 1.00 0.00 C ATOM 373 CG GLU A 44 -21.615 8.100 20.138 1.00 0.00 C ATOM 374 CD GLU A 44 -20.353 7.806 20.953 1.00 0.00 C ATOM 375 OE1 GLU A 44 -20.262 6.718 21.495 1.00 0.00 O ATOM 376 OE2 GLU A 44 -19.498 8.675 21.019 1.00 0.00 O ATOM 0 H GLU A 44 -21.023 10.262 20.902 1.00 0.00 H new ATOM 0 HA GLU A 44 -23.554 9.802 22.413 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -23.022 7.352 21.599 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -23.709 8.515 20.483 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -21.807 7.282 19.444 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.468 8.999 19.539 1.00 0.00 H new ATOM 377 N VAL A 45 -21.537 9.705 24.277 1.00 0.00 N ATOM 378 CA VAL A 45 -20.819 9.243 25.501 1.00 0.00 C ATOM 379 C VAL A 45 -21.831 9.011 26.626 1.00 0.00 C ATOM 380 O VAL A 45 -23.021 8.930 26.387 1.00 0.00 O ATOM 381 CB VAL A 45 -19.797 10.308 25.915 1.00 0.00 C ATOM 382 CG1 VAL A 45 -18.746 10.455 24.815 1.00 0.00 C ATOM 383 CG2 VAL A 45 -20.509 11.649 26.118 1.00 0.00 C ATOM 0 H VAL A 45 -21.759 10.700 24.258 1.00 0.00 H new ATOM 0 HA VAL A 45 -20.297 8.308 25.298 1.00 0.00 H new ATOM 0 HB VAL A 45 -19.315 10.007 26.845 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -18.018 11.212 25.106 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -18.239 9.502 24.666 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -19.231 10.757 23.887 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.782 12.406 26.412 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.990 11.950 25.187 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -21.262 11.546 26.899 1.00 0.00 H new ATOM 384 N LEU A 46 -21.372 8.895 27.852 1.00 0.00 N ATOM 385 CA LEU A 46 -22.304 8.659 29.003 1.00 0.00 C ATOM 386 C LEU A 46 -23.443 9.686 28.984 1.00 0.00 C ATOM 387 O LEU A 46 -23.355 10.713 28.339 1.00 0.00 O ATOM 388 CB LEU A 46 -21.531 8.787 30.316 1.00 0.00 C ATOM 389 CG LEU A 46 -21.018 7.411 30.743 1.00 0.00 C ATOM 390 CD1 LEU A 46 -19.978 6.918 29.734 1.00 0.00 C ATOM 391 CD2 LEU A 46 -20.374 7.516 32.126 1.00 0.00 C ATOM 0 H LEU A 46 -20.386 8.954 28.105 1.00 0.00 H new ATOM 0 HA LEU A 46 -22.727 7.658 28.916 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -20.695 9.476 30.193 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -22.175 9.203 31.091 1.00 0.00 H new ATOM 0 HG LEU A 46 -21.850 6.708 30.780 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -19.612 5.937 30.038 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -20.435 6.845 28.747 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -19.145 7.620 29.697 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -20.008 6.536 32.432 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -19.542 8.219 32.087 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -21.113 7.868 32.846 1.00 0.00 H new ATOM 392 N ARG A 47 -24.516 9.404 29.680 1.00 0.00 N ATOM 393 CA ARG A 47 -25.679 10.343 29.708 1.00 0.00 C ATOM 394 C ARG A 47 -26.308 10.452 28.309 1.00 0.00 C ATOM 395 O ARG A 47 -27.103 11.338 28.057 1.00 0.00 O ATOM 396 CB ARG A 47 -25.220 11.732 30.167 1.00 0.00 C ATOM 397 CG ARG A 47 -26.430 12.542 30.638 1.00 0.00 C ATOM 398 CD ARG A 47 -26.200 14.025 30.344 1.00 0.00 C ATOM 399 NE ARG A 47 -27.036 14.848 31.263 1.00 0.00 N ATOM 400 CZ ARG A 47 -27.136 16.136 31.075 1.00 0.00 C ATOM 401 NH1 ARG A 47 -26.258 16.943 31.607 1.00 0.00 N ATOM 402 NH2 ARG A 47 -28.113 16.617 30.356 1.00 0.00 N ATOM 0 H ARG A 47 -24.637 8.556 30.234 1.00 0.00 H new ATOM 0 HA ARG A 47 -26.421 9.956 30.406 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.495 11.638 30.976 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -24.719 12.250 29.349 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -27.331 12.196 30.132 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -26.587 12.393 31.706 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -25.146 14.273 30.473 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.455 14.245 29.307 1.00 0.00 H new ATOM 0 HE ARG A 47 -27.530 14.405 32.038 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -25.494 16.567 32.169 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -26.336 17.949 31.460 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -28.799 15.987 29.941 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -28.191 17.623 30.209 1.00 0.00 H new ATOM 403 N GLU A 48 -25.972 9.559 27.403 1.00 0.00 N ATOM 404 CA GLU A 48 -26.567 9.621 26.034 1.00 0.00 C ATOM 405 C GLU A 48 -27.444 8.387 25.806 1.00 0.00 C ATOM 406 O GLU A 48 -27.606 7.931 24.690 1.00 0.00 O ATOM 407 CB GLU A 48 -25.447 9.654 24.989 1.00 0.00 C ATOM 408 CG GLU A 48 -26.042 9.899 23.592 1.00 0.00 C ATOM 409 CD GLU A 48 -25.763 8.700 22.680 1.00 0.00 C ATOM 410 OE1 GLU A 48 -25.648 7.599 23.194 1.00 0.00 O ATOM 411 OE2 GLU A 48 -25.669 8.903 21.480 1.00 0.00 O ATOM 0 H GLU A 48 -25.314 8.795 27.556 1.00 0.00 H new ATOM 0 HA GLU A 48 -27.174 10.522 25.941 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -24.733 10.441 25.233 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -24.899 8.712 25.000 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -27.117 10.063 23.670 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -25.612 10.802 23.159 1.00 0.00 H new ATOM 412 N GLN A 49 -28.011 7.847 26.855 1.00 0.00 N ATOM 413 CA GLN A 49 -28.879 6.641 26.706 1.00 0.00 C ATOM 414 C GLN A 49 -30.339 7.030 26.949 1.00 0.00 C ATOM 415 O GLN A 49 -30.683 8.196 26.974 1.00 0.00 O ATOM 416 CB GLN A 49 -28.452 5.580 27.726 1.00 0.00 C ATOM 417 CG GLN A 49 -28.574 4.187 27.101 1.00 0.00 C ATOM 418 CD GLN A 49 -27.216 3.758 26.540 1.00 0.00 C ATOM 419 OE1 GLN A 49 -27.117 3.357 25.397 1.00 0.00 O ATOM 420 NE2 GLN A 49 -26.159 3.825 27.301 1.00 0.00 N ATOM 0 H GLN A 49 -27.910 8.191 27.810 1.00 0.00 H new ATOM 0 HA GLN A 49 -28.776 6.238 25.698 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -27.424 5.759 28.043 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -29.076 5.646 28.617 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -28.913 3.470 27.848 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -29.321 4.197 26.307 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -26.242 4.162 28.260 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -25.250 3.541 26.937 1.00 0.00 H new ATOM 421 N ALA A 50 -31.197 6.057 27.128 1.00 0.00 N ATOM 422 CA ALA A 50 -32.638 6.357 27.368 1.00 0.00 C ATOM 423 C ALA A 50 -33.302 5.158 28.049 1.00 0.00 C ATOM 424 O ALA A 50 -34.050 5.307 28.997 1.00 0.00 O ATOM 425 CB ALA A 50 -33.333 6.635 26.034 1.00 0.00 C ATOM 0 H ALA A 50 -30.959 5.065 27.118 1.00 0.00 H new ATOM 0 HA ALA A 50 -32.723 7.234 28.010 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -34.386 6.854 26.211 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -32.861 7.490 25.549 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -33.248 5.760 25.390 1.00 0.00 H new ATOM 426 N GLY A 51 -33.032 3.971 27.571 1.00 0.00 N ATOM 427 CA GLY A 51 -33.642 2.753 28.182 1.00 0.00 C ATOM 428 C GLY A 51 -33.774 1.659 27.121 1.00 0.00 C ATOM 429 O GLY A 51 -34.306 1.885 26.051 1.00 0.00 O ATOM 0 H GLY A 51 -32.413 3.792 26.780 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -33.025 2.400 29.008 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -34.622 2.993 28.596 1.00 0.00 H new ATOM 430 N GLY A 52 -33.292 0.477 27.413 1.00 0.00 N ATOM 431 CA GLY A 52 -33.384 -0.638 26.426 1.00 0.00 C ATOM 432 C GLY A 52 -32.055 -0.778 25.683 1.00 0.00 C ATOM 433 O GLY A 52 -31.681 -1.856 25.262 1.00 0.00 O ATOM 0 H GLY A 52 -32.838 0.237 28.294 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -33.626 -1.570 26.937 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -34.189 -0.444 25.718 1.00 0.00 H new ATOM 434 N ASP A 53 -31.338 0.307 25.521 1.00 0.00 N ATOM 435 CA ASP A 53 -30.031 0.250 24.805 1.00 0.00 C ATOM 436 C ASP A 53 -29.061 -0.649 25.579 1.00 0.00 C ATOM 437 O ASP A 53 -28.198 -1.279 25.003 1.00 0.00 O ATOM 438 CB ASP A 53 -29.444 1.659 24.701 1.00 0.00 C ATOM 439 CG ASP A 53 -30.282 2.490 23.727 1.00 0.00 C ATOM 440 OD1 ASP A 53 -30.231 2.209 22.541 1.00 0.00 O ATOM 441 OD2 ASP A 53 -30.965 3.392 24.185 1.00 0.00 O ATOM 0 H ASP A 53 -31.605 1.232 25.856 1.00 0.00 H new ATOM 0 HA ASP A 53 -30.184 -0.156 23.805 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -29.432 2.133 25.683 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -28.411 1.610 24.358 1.00 0.00 H new ATOM 442 N ALA A 54 -29.205 -0.710 26.880 1.00 0.00 N ATOM 443 CA ALA A 54 -28.301 -1.565 27.712 1.00 0.00 C ATOM 444 C ALA A 54 -26.856 -1.044 27.610 1.00 0.00 C ATOM 445 O ALA A 54 -26.439 -0.224 28.406 1.00 0.00 O ATOM 446 CB ALA A 54 -28.382 -3.024 27.240 1.00 0.00 C ATOM 0 H ALA A 54 -29.915 -0.200 27.405 1.00 0.00 H new ATOM 0 HA ALA A 54 -28.617 -1.520 28.754 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -27.722 -3.641 27.850 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -29.407 -3.382 27.339 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -28.075 -3.086 26.196 1.00 0.00 H new ATOM 447 N THR A 55 -26.088 -1.506 26.646 1.00 0.00 N ATOM 448 CA THR A 55 -24.679 -1.027 26.515 1.00 0.00 C ATOM 449 C THR A 55 -24.229 -1.144 25.058 1.00 0.00 C ATOM 450 O THR A 55 -23.060 -1.334 24.775 1.00 0.00 O ATOM 451 CB THR A 55 -23.765 -1.878 27.399 1.00 0.00 C ATOM 452 OG1 THR A 55 -23.825 -3.234 26.972 1.00 0.00 O ATOM 453 CG2 THR A 55 -24.223 -1.781 28.855 1.00 0.00 C ATOM 0 H THR A 55 -26.379 -2.191 25.949 1.00 0.00 H new ATOM 0 HA THR A 55 -24.623 0.015 26.829 1.00 0.00 H new ATOM 0 HB THR A 55 -22.741 -1.514 27.318 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.239 -3.781 27.536 1.00 0.00 H new ATOM 0 HG21 THR A 55 -23.571 -2.388 29.483 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.178 -0.742 29.182 1.00 0.00 H new ATOM 0 HG23 THR A 55 -25.247 -2.144 28.939 1.00 0.00 H new ATOM 454 N GLU A 56 -25.147 -1.028 24.130 1.00 0.00 N ATOM 455 CA GLU A 56 -24.777 -1.130 22.688 1.00 0.00 C ATOM 456 C GLU A 56 -24.821 0.261 22.053 1.00 0.00 C ATOM 457 O GLU A 56 -25.337 1.199 22.630 1.00 0.00 O ATOM 458 CB GLU A 56 -25.765 -2.052 21.967 1.00 0.00 C ATOM 459 CG GLU A 56 -27.196 -1.562 22.206 1.00 0.00 C ATOM 460 CD GLU A 56 -28.023 -1.750 20.932 1.00 0.00 C ATOM 461 OE1 GLU A 56 -28.305 -2.888 20.595 1.00 0.00 O ATOM 462 OE2 GLU A 56 -28.361 -0.752 20.316 1.00 0.00 O ATOM 0 H GLU A 56 -26.138 -0.867 24.311 1.00 0.00 H new ATOM 0 HA GLU A 56 -23.771 -1.540 22.600 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -25.549 -2.068 20.899 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -25.655 -3.074 22.330 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -27.648 -2.115 23.030 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -27.188 -0.511 22.494 1.00 0.00 H new ATOM 463 N ASN A 57 -24.278 0.401 20.870 1.00 0.00 N ATOM 464 CA ASN A 57 -24.278 1.730 20.184 1.00 0.00 C ATOM 465 C ASN A 57 -23.529 2.754 21.043 1.00 0.00 C ATOM 466 O ASN A 57 -23.826 3.934 21.016 1.00 0.00 O ATOM 467 CB ASN A 57 -25.719 2.201 19.970 1.00 0.00 C ATOM 468 CG ASN A 57 -25.746 3.308 18.914 1.00 0.00 C ATOM 469 OD1 ASN A 57 -24.763 3.991 18.707 1.00 0.00 O ATOM 470 ND2 ASN A 57 -26.839 3.514 18.231 1.00 0.00 N ATOM 0 H ASN A 57 -23.832 -0.352 20.347 1.00 0.00 H new ATOM 0 HA ASN A 57 -23.781 1.634 19.218 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -26.342 1.365 19.651 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -26.135 2.569 20.908 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -26.868 4.248 17.524 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -27.665 2.941 18.405 1.00 0.00 H new ATOM 471 N PHE A 58 -22.563 2.307 21.804 1.00 0.00 N ATOM 472 CA PHE A 58 -21.787 3.245 22.668 1.00 0.00 C ATOM 473 C PHE A 58 -20.482 3.626 21.964 1.00 0.00 C ATOM 474 O PHE A 58 -19.446 3.761 22.589 1.00 0.00 O ATOM 475 CB PHE A 58 -21.469 2.564 24.002 1.00 0.00 C ATOM 476 CG PHE A 58 -20.838 3.563 24.942 1.00 0.00 C ATOM 477 CD1 PHE A 58 -21.589 4.637 25.432 1.00 0.00 C ATOM 478 CD2 PHE A 58 -19.499 3.413 25.322 1.00 0.00 C ATOM 479 CE1 PHE A 58 -21.000 5.563 26.301 1.00 0.00 C ATOM 480 CE2 PHE A 58 -18.910 4.340 26.191 1.00 0.00 C ATOM 481 CZ PHE A 58 -19.662 5.415 26.681 1.00 0.00 C ATOM 0 H PHE A 58 -22.278 1.329 21.864 1.00 0.00 H new ATOM 0 HA PHE A 58 -22.376 4.144 22.851 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -22.381 2.160 24.442 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -20.794 1.724 23.841 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -22.622 4.752 25.140 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.920 2.583 24.945 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.579 6.393 26.678 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.877 4.226 26.483 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.209 6.130 27.352 1.00 0.00 H new ATOM 482 N GLU A 59 -20.528 3.801 20.668 1.00 0.00 N ATOM 483 CA GLU A 59 -19.295 4.172 19.913 1.00 0.00 C ATOM 484 C GLU A 59 -19.649 4.406 18.444 1.00 0.00 C ATOM 485 O GLU A 59 -19.511 3.525 17.615 1.00 0.00 O ATOM 486 CB GLU A 59 -18.273 3.039 20.017 1.00 0.00 C ATOM 487 CG GLU A 59 -16.903 3.543 19.554 1.00 0.00 C ATOM 488 CD GLU A 59 -16.047 2.356 19.111 1.00 0.00 C ATOM 489 OE1 GLU A 59 -15.697 1.553 19.960 1.00 0.00 O ATOM 490 OE2 GLU A 59 -15.753 2.272 17.929 1.00 0.00 O ATOM 0 H GLU A 59 -21.369 3.702 20.099 1.00 0.00 H new ATOM 0 HA GLU A 59 -18.871 5.083 20.335 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.213 2.683 21.045 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -18.587 2.194 19.405 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.022 4.247 18.730 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.408 4.080 20.363 1.00 0.00 H new ATOM 491 N ASP A 60 -20.105 5.589 18.115 1.00 0.00 N ATOM 492 CA ASP A 60 -20.470 5.891 16.700 1.00 0.00 C ATOM 493 C ASP A 60 -19.293 6.582 16.007 1.00 0.00 C ATOM 494 O ASP A 60 -18.678 6.030 15.113 1.00 0.00 O ATOM 495 CB ASP A 60 -21.693 6.811 16.672 1.00 0.00 C ATOM 496 CG ASP A 60 -22.158 7.001 15.228 1.00 0.00 C ATOM 497 OD1 ASP A 60 -21.433 7.621 14.469 1.00 0.00 O ATOM 498 OD2 ASP A 60 -23.232 6.521 14.905 1.00 0.00 O ATOM 0 H ASP A 60 -20.240 6.360 18.769 1.00 0.00 H new ATOM 0 HA ASP A 60 -20.704 4.963 16.179 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -22.497 6.382 17.270 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -21.445 7.776 17.115 1.00 0.00 H new ATOM 499 N VAL A 61 -18.975 7.785 16.414 1.00 0.00 N ATOM 500 CA VAL A 61 -17.837 8.518 15.786 1.00 0.00 C ATOM 501 C VAL A 61 -16.682 8.635 16.786 1.00 0.00 C ATOM 502 O VAL A 61 -15.527 8.709 16.408 1.00 0.00 O ATOM 503 CB VAL A 61 -18.310 9.914 15.347 1.00 0.00 C ATOM 504 CG1 VAL A 61 -18.794 10.708 16.564 1.00 0.00 C ATOM 505 CG2 VAL A 61 -17.158 10.666 14.672 1.00 0.00 C ATOM 0 H VAL A 61 -19.457 8.292 17.157 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.486 7.971 14.911 1.00 0.00 H new ATOM 0 HB VAL A 61 -19.132 9.802 14.640 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -19.127 11.696 16.245 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.623 10.180 17.037 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -17.977 10.814 17.278 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -17.500 11.654 14.363 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -16.331 10.771 15.374 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.823 10.109 13.797 1.00 0.00 H new ATOM 506 N GLY A 62 -16.991 8.647 18.051 1.00 0.00 N ATOM 507 CA GLY A 62 -15.927 8.754 19.093 1.00 0.00 C ATOM 508 C GLY A 62 -15.184 10.084 18.936 1.00 0.00 C ATOM 509 O GLY A 62 -15.198 10.690 17.882 1.00 0.00 O ATOM 0 H GLY A 62 -17.943 8.587 18.414 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.370 8.689 20.087 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.228 7.923 19.000 1.00 0.00 H new ATOM 510 N HIS A 63 -14.537 10.536 19.980 1.00 0.00 N ATOM 511 CA HIS A 63 -13.787 11.825 19.901 1.00 0.00 C ATOM 512 C HIS A 63 -12.428 11.585 19.238 1.00 0.00 C ATOM 513 O HIS A 63 -12.146 10.502 18.762 1.00 0.00 O ATOM 514 CB HIS A 63 -13.577 12.387 21.311 1.00 0.00 C ATOM 515 CG HIS A 63 -12.931 11.345 22.185 1.00 0.00 C ATOM 516 ND1 HIS A 63 -11.635 10.900 21.972 1.00 0.00 N ATOM 517 CD2 HIS A 63 -13.390 10.651 23.276 1.00 0.00 C ATOM 518 CE1 HIS A 63 -11.362 9.979 22.915 1.00 0.00 C ATOM 519 NE2 HIS A 63 -12.398 9.791 23.736 1.00 0.00 N ATOM 0 H HIS A 63 -14.496 10.067 20.885 1.00 0.00 H new ATOM 0 HA HIS A 63 -14.359 12.540 19.310 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.950 13.278 21.268 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -14.533 12.690 21.737 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -11.003 11.214 21.235 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -14.373 10.756 23.712 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -10.421 9.456 22.997 1.00 0.00 H new ATOM 520 N SER A 64 -11.588 12.588 19.207 1.00 0.00 N ATOM 521 CA SER A 64 -10.246 12.425 18.576 1.00 0.00 C ATOM 522 C SER A 64 -9.162 12.511 19.655 1.00 0.00 C ATOM 523 O SER A 64 -8.607 11.514 20.064 1.00 0.00 O ATOM 524 CB SER A 64 -10.031 13.531 17.541 1.00 0.00 C ATOM 525 OG SER A 64 -10.445 13.066 16.263 1.00 0.00 O ATOM 0 H SER A 64 -11.775 13.514 19.592 1.00 0.00 H new ATOM 0 HA SER A 64 -10.190 11.454 18.083 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.598 14.420 17.818 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.980 13.819 17.513 1.00 0.00 H new ATOM 0 HG SER A 64 -10.310 13.773 15.598 1.00 0.00 H new ATOM 526 N THR A 65 -8.862 13.703 20.119 1.00 0.00 N ATOM 527 CA THR A 65 -7.812 13.892 21.178 1.00 0.00 C ATOM 528 C THR A 65 -6.507 13.168 20.787 1.00 0.00 C ATOM 529 O THR A 65 -5.653 13.743 20.138 1.00 0.00 O ATOM 530 CB THR A 65 -8.326 13.382 22.539 1.00 0.00 C ATOM 531 OG1 THR A 65 -9.326 12.391 22.344 1.00 0.00 O ATOM 532 CG2 THR A 65 -8.914 14.548 23.335 1.00 0.00 C ATOM 0 H THR A 65 -9.306 14.566 19.805 1.00 0.00 H new ATOM 0 HA THR A 65 -7.598 14.957 21.264 1.00 0.00 H new ATOM 0 HB THR A 65 -7.493 12.945 23.090 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.210 12.782 22.507 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.277 14.186 24.297 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.144 15.302 23.498 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.741 14.989 22.778 1.00 0.00 H new ATOM 533 N ASP A 66 -6.343 11.920 21.170 1.00 0.00 N ATOM 534 CA ASP A 66 -5.096 11.182 20.813 1.00 0.00 C ATOM 535 C ASP A 66 -5.415 9.696 20.638 1.00 0.00 C ATOM 536 O ASP A 66 -5.122 9.108 19.614 1.00 0.00 O ATOM 537 CB ASP A 66 -4.065 11.352 21.931 1.00 0.00 C ATOM 538 CG ASP A 66 -2.658 11.379 21.330 1.00 0.00 C ATOM 539 OD1 ASP A 66 -2.313 12.381 20.724 1.00 0.00 O ATOM 540 OD2 ASP A 66 -1.950 10.398 21.485 1.00 0.00 O ATOM 0 H ASP A 66 -7.021 11.386 21.714 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.693 11.580 19.882 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.256 12.275 22.478 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.151 10.534 22.646 1.00 0.00 H new ATOM 541 N ALA A 67 -6.016 9.089 21.631 1.00 0.00 N ATOM 542 CA ALA A 67 -6.359 7.640 21.531 1.00 0.00 C ATOM 543 C ALA A 67 -7.758 7.486 20.933 1.00 0.00 C ATOM 544 O ALA A 67 -8.382 8.455 20.537 1.00 0.00 O ATOM 545 CB ALA A 67 -6.330 7.011 22.926 1.00 0.00 C ATOM 0 H ALA A 67 -6.284 9.537 22.508 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.633 7.139 20.891 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.581 5.953 22.853 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.333 7.119 23.353 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.056 7.512 23.566 1.00 0.00 H new ATOM 546 N ARG A 68 -8.255 6.277 20.866 1.00 0.00 N ATOM 547 CA ARG A 68 -9.615 6.050 20.295 1.00 0.00 C ATOM 548 C ARG A 68 -10.642 6.000 21.428 1.00 0.00 C ATOM 549 O ARG A 68 -11.486 6.867 21.551 1.00 0.00 O ATOM 550 CB ARG A 68 -9.632 4.725 19.529 1.00 0.00 C ATOM 551 CG ARG A 68 -10.552 4.848 18.311 1.00 0.00 C ATOM 552 CD ARG A 68 -11.977 4.460 18.706 1.00 0.00 C ATOM 553 NE ARG A 68 -12.743 5.688 19.066 1.00 0.00 N ATOM 554 CZ ARG A 68 -14.019 5.759 18.807 1.00 0.00 C ATOM 555 NH1 ARG A 68 -14.432 5.827 17.571 1.00 0.00 N ATOM 556 NH2 ARG A 68 -14.886 5.760 19.784 1.00 0.00 N ATOM 0 H ARG A 68 -7.775 5.435 21.184 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.865 6.865 19.615 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.623 4.465 19.210 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.978 3.922 20.179 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.534 5.869 17.930 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.197 4.202 17.508 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.466 3.942 17.881 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.957 3.770 19.550 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.269 6.472 19.515 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -13.757 5.825 16.807 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.430 5.882 17.369 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.565 5.705 20.751 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.884 5.816 19.580 1.00 0.00 H new ATOM 557 N GLU A 69 -10.574 4.988 22.257 1.00 0.00 N ATOM 558 CA GLU A 69 -11.541 4.872 23.387 1.00 0.00 C ATOM 559 C GLU A 69 -10.922 5.479 24.649 1.00 0.00 C ATOM 560 O GLU A 69 -10.137 4.845 25.331 1.00 0.00 O ATOM 561 CB GLU A 69 -11.861 3.396 23.636 1.00 0.00 C ATOM 562 CG GLU A 69 -13.316 3.255 24.088 1.00 0.00 C ATOM 563 CD GLU A 69 -13.903 1.957 23.530 1.00 0.00 C ATOM 564 OE1 GLU A 69 -14.348 1.971 22.394 1.00 0.00 O ATOM 565 OE2 GLU A 69 -13.897 0.971 24.248 1.00 0.00 O ATOM 0 H GLU A 69 -9.888 4.236 22.198 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.458 5.405 23.137 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.695 2.819 22.726 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.193 2.992 24.396 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.371 3.252 25.177 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.899 4.108 23.742 1.00 0.00 H new ATOM 566 N LEU A 70 -11.271 6.702 24.961 1.00 0.00 N ATOM 567 CA LEU A 70 -10.708 7.358 26.179 1.00 0.00 C ATOM 568 C LEU A 70 -11.284 6.712 27.450 1.00 0.00 C ATOM 569 O LEU A 70 -10.820 6.975 28.542 1.00 0.00 O ATOM 570 CB LEU A 70 -11.053 8.854 26.156 1.00 0.00 C ATOM 571 CG LEU A 70 -10.437 9.574 27.368 1.00 0.00 C ATOM 572 CD1 LEU A 70 -8.920 9.362 27.406 1.00 0.00 C ATOM 573 CD2 LEU A 70 -10.725 11.071 27.260 1.00 0.00 C ATOM 0 H LEU A 70 -11.922 7.274 24.424 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.625 7.230 26.183 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.684 9.303 25.234 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.135 8.983 26.162 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.875 9.166 28.279 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.502 9.879 28.270 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.703 8.296 27.481 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.474 9.760 26.495 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.291 11.588 28.116 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.287 11.460 26.341 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.803 11.234 27.246 1.00 0.00 H new ATOM 574 N SER A 71 -12.284 5.869 27.322 1.00 0.00 N ATOM 575 CA SER A 71 -12.874 5.214 28.527 1.00 0.00 C ATOM 576 C SER A 71 -11.823 4.331 29.221 1.00 0.00 C ATOM 577 O SER A 71 -12.001 3.934 30.357 1.00 0.00 O ATOM 578 CB SER A 71 -14.068 4.355 28.100 1.00 0.00 C ATOM 579 OG SER A 71 -15.152 4.583 28.990 1.00 0.00 O ATOM 0 H SER A 71 -12.714 5.609 26.434 1.00 0.00 H new ATOM 0 HA SER A 71 -13.204 5.982 29.227 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.362 4.602 27.080 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.793 3.300 28.106 1.00 0.00 H new ATOM 0 HG SER A 71 -15.357 3.756 29.474 1.00 0.00 H new ATOM 580 N LYS A 72 -10.739 4.012 28.551 1.00 0.00 N ATOM 581 CA LYS A 72 -9.690 3.149 29.174 1.00 0.00 C ATOM 582 C LYS A 72 -9.040 3.880 30.353 1.00 0.00 C ATOM 583 O LYS A 72 -8.609 3.263 31.310 1.00 0.00 O ATOM 584 CB LYS A 72 -8.622 2.814 28.132 1.00 0.00 C ATOM 585 CG LYS A 72 -9.096 1.643 27.270 1.00 0.00 C ATOM 586 CD LYS A 72 -8.461 1.739 25.881 1.00 0.00 C ATOM 587 CE LYS A 72 -7.048 1.152 25.927 1.00 0.00 C ATOM 588 NZ LYS A 72 -6.064 2.244 26.175 1.00 0.00 N ATOM 0 H LYS A 72 -10.538 4.314 27.598 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.152 2.230 29.535 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.425 3.684 27.505 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.685 2.559 28.626 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.824 0.698 27.741 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.183 1.656 27.186 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.067 1.199 25.154 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.424 2.779 25.557 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.980 0.401 26.714 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.821 0.650 24.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.112 1.921 25.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.318 3.076 25.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.074 2.498 27.183 1.00 0.00 H new ATOM 589 N THR A 73 -8.960 5.186 30.293 1.00 0.00 N ATOM 590 CA THR A 73 -8.334 5.959 31.402 1.00 0.00 C ATOM 591 C THR A 73 -9.402 6.402 32.414 1.00 0.00 C ATOM 592 O THR A 73 -9.183 7.309 33.195 1.00 0.00 O ATOM 593 CB THR A 73 -7.633 7.195 30.829 1.00 0.00 C ATOM 594 OG1 THR A 73 -8.236 7.566 29.597 1.00 0.00 O ATOM 595 CG2 THR A 73 -6.154 6.888 30.601 1.00 0.00 C ATOM 0 H THR A 73 -9.305 5.751 29.517 1.00 0.00 H new ATOM 0 HA THR A 73 -7.608 5.323 31.909 1.00 0.00 H new ATOM 0 HB THR A 73 -7.728 8.018 31.537 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.194 7.719 29.735 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.658 7.769 30.193 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.689 6.615 31.548 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.058 6.060 29.898 1.00 0.00 H new ATOM 596 N TYR A 74 -10.548 5.761 32.418 1.00 0.00 N ATOM 597 CA TYR A 74 -11.620 6.132 33.386 1.00 0.00 C ATOM 598 C TYR A 74 -12.204 4.847 33.987 1.00 0.00 C ATOM 599 O TYR A 74 -13.355 4.801 34.375 1.00 0.00 O ATOM 600 CB TYR A 74 -12.732 6.907 32.664 1.00 0.00 C ATOM 601 CG TYR A 74 -12.229 8.274 32.239 1.00 0.00 C ATOM 602 CD1 TYR A 74 -11.284 8.391 31.210 1.00 0.00 C ATOM 603 CD2 TYR A 74 -12.708 9.427 32.877 1.00 0.00 C ATOM 604 CE1 TYR A 74 -10.822 9.656 30.823 1.00 0.00 C ATOM 605 CE2 TYR A 74 -12.243 10.688 32.490 1.00 0.00 C ATOM 606 CZ TYR A 74 -11.302 10.804 31.464 1.00 0.00 C ATOM 607 OH TYR A 74 -10.843 12.049 31.084 1.00 0.00 O ATOM 0 H TYR A 74 -10.784 4.994 31.788 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.203 6.761 34.172 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -13.067 6.347 31.791 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.594 7.017 33.322 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.912 7.506 30.715 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -13.437 9.341 33.669 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.095 9.745 30.029 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.612 11.574 32.985 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.980 12.686 31.816 1.00 0.00 H new ATOM 608 N ILE A 75 -11.416 3.798 34.052 1.00 0.00 N ATOM 609 CA ILE A 75 -11.915 2.504 34.610 1.00 0.00 C ATOM 610 C ILE A 75 -11.628 2.451 36.114 1.00 0.00 C ATOM 611 O ILE A 75 -10.695 3.062 36.599 1.00 0.00 O ATOM 612 CB ILE A 75 -11.209 1.327 33.920 1.00 0.00 C ATOM 613 CG1 ILE A 75 -11.170 1.557 32.403 1.00 0.00 C ATOM 614 CG2 ILE A 75 -11.970 0.030 34.213 1.00 0.00 C ATOM 615 CD1 ILE A 75 -10.356 0.447 31.733 1.00 0.00 C ATOM 0 H ILE A 75 -10.445 3.785 33.740 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.989 2.433 34.436 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.190 1.251 34.301 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.183 1.571 32.002 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.727 2.529 32.184 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.469 -0.805 33.723 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.994 -0.142 35.289 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.989 0.113 33.836 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.331 0.614 30.656 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.339 0.454 32.125 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.818 -0.518 31.940 1.00 0.00 H new ATOM 616 N ILE A 76 -12.427 1.719 36.849 1.00 0.00 N ATOM 617 CA ILE A 76 -12.212 1.612 38.329 1.00 0.00 C ATOM 618 C ILE A 76 -11.764 0.193 38.683 1.00 0.00 C ATOM 619 O ILE A 76 -10.907 -0.004 39.525 1.00 0.00 O ATOM 620 CB ILE A 76 -13.504 1.935 39.104 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.751 1.503 38.314 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.569 3.438 39.372 1.00 0.00 C ATOM 623 CD1 ILE A 76 -15.890 1.173 39.280 1.00 0.00 C ATOM 0 H ILE A 76 -13.221 1.189 36.489 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.444 2.333 38.611 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.487 1.384 40.044 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -15.057 2.300 37.636 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.520 0.633 37.700 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.482 3.671 39.920 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.704 3.740 39.963 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.567 3.977 38.425 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.770 0.868 38.714 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.584 0.362 39.940 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.129 2.054 39.875 1.00 0.00 H new ATOM 624 N GLY A 77 -12.344 -0.795 38.054 1.00 0.00 N ATOM 625 CA GLY A 77 -11.967 -2.207 38.352 1.00 0.00 C ATOM 626 C GLY A 77 -12.699 -3.140 37.388 1.00 0.00 C ATOM 627 O GLY A 77 -13.104 -2.735 36.315 1.00 0.00 O ATOM 0 H GLY A 77 -13.067 -0.683 37.343 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.889 -2.336 38.253 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.225 -2.455 39.382 1.00 0.00 H new ATOM 628 N GLU A 78 -12.878 -4.382 37.764 1.00 0.00 N ATOM 629 CA GLU A 78 -13.596 -5.339 36.874 1.00 0.00 C ATOM 630 C GLU A 78 -14.964 -5.655 37.482 1.00 0.00 C ATOM 631 O GLU A 78 -15.352 -5.073 38.476 1.00 0.00 O ATOM 632 CB GLU A 78 -12.788 -6.630 36.738 1.00 0.00 C ATOM 633 CG GLU A 78 -11.564 -6.374 35.856 1.00 0.00 C ATOM 634 CD GLU A 78 -11.032 -7.706 35.322 1.00 0.00 C ATOM 635 OE1 GLU A 78 -11.056 -8.672 36.066 1.00 0.00 O ATOM 636 OE2 GLU A 78 -10.610 -7.737 34.178 1.00 0.00 O ATOM 0 H GLU A 78 -12.557 -4.773 38.650 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.722 -4.893 35.887 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.474 -6.981 37.721 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.406 -7.415 36.302 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.831 -5.718 35.027 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.790 -5.864 36.429 1.00 0.00 H new ATOM 637 N LEU A 79 -15.695 -6.572 36.900 1.00 0.00 N ATOM 638 CA LEU A 79 -17.036 -6.924 37.454 1.00 0.00 C ATOM 639 C LEU A 79 -16.991 -8.342 38.033 1.00 0.00 C ATOM 640 O LEU A 79 -16.287 -9.202 37.538 1.00 0.00 O ATOM 641 CB LEU A 79 -18.090 -6.851 36.342 1.00 0.00 C ATOM 642 CG LEU A 79 -19.485 -7.139 36.926 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.475 -6.065 36.469 1.00 0.00 C ATOM 644 CD2 LEU A 79 -19.971 -8.513 36.447 1.00 0.00 C ATOM 0 H LEU A 79 -15.421 -7.091 36.066 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.300 -6.219 38.242 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -18.076 -5.864 35.879 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -17.857 -7.573 35.560 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.422 -7.132 38.014 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.459 -6.276 36.887 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.137 -5.088 36.814 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.535 -6.065 35.381 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -20.959 -8.715 36.862 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -20.026 -8.520 35.358 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.274 -9.282 36.780 1.00 0.00 H new ATOM 645 N HIS A 80 -17.737 -8.585 39.080 1.00 0.00 N ATOM 646 CA HIS A 80 -17.746 -9.941 39.706 1.00 0.00 C ATOM 647 C HIS A 80 -18.248 -10.980 38.681 1.00 0.00 C ATOM 648 O HIS A 80 -19.122 -10.676 37.895 1.00 0.00 O ATOM 649 CB HIS A 80 -18.671 -9.924 40.927 1.00 0.00 C ATOM 650 CG HIS A 80 -18.269 -11.023 41.867 1.00 0.00 C ATOM 651 ND1 HIS A 80 -19.066 -12.136 42.081 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.151 -11.208 42.642 1.00 0.00 C ATOM 653 CE1 HIS A 80 -18.423 -12.937 42.947 1.00 0.00 C ATOM 654 NE2 HIS A 80 -17.254 -12.417 43.320 1.00 0.00 N ATOM 0 H HIS A 80 -18.343 -7.899 39.530 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.737 -10.210 40.019 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -18.611 -8.959 41.430 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.707 -10.057 40.615 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.321 -10.521 42.714 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -18.806 -13.884 43.297 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.577 -12.821 43.967 1.00 0.00 H new ATOM 655 N PRO A 81 -17.682 -12.176 38.700 1.00 0.00 N ATOM 656 CA PRO A 81 -18.059 -13.275 37.754 1.00 0.00 C ATOM 657 C PRO A 81 -19.289 -14.060 38.243 1.00 0.00 C ATOM 658 O PRO A 81 -19.819 -14.887 37.526 1.00 0.00 O ATOM 659 CB PRO A 81 -16.827 -14.170 37.744 1.00 0.00 C ATOM 660 CG PRO A 81 -16.087 -13.934 39.054 1.00 0.00 C ATOM 661 CD PRO A 81 -16.596 -12.617 39.646 1.00 0.00 C ATOM 0 HA PRO A 81 -18.332 -12.895 36.770 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.113 -15.217 37.647 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.188 -13.935 36.893 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.263 -14.758 39.746 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.012 -13.886 38.882 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.982 -12.758 40.656 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.799 -11.876 39.710 1.00 0.00 H new ATOM 662 N ASP A 82 -19.739 -13.825 39.453 1.00 0.00 N ATOM 663 CA ASP A 82 -20.927 -14.571 39.976 1.00 0.00 C ATOM 664 C ASP A 82 -22.136 -14.367 39.053 1.00 0.00 C ATOM 665 O ASP A 82 -22.868 -15.298 38.770 1.00 0.00 O ATOM 666 CB ASP A 82 -21.270 -14.064 41.378 1.00 0.00 C ATOM 667 CG ASP A 82 -22.382 -14.926 41.980 1.00 0.00 C ATOM 668 OD1 ASP A 82 -22.180 -16.124 42.096 1.00 0.00 O ATOM 669 OD2 ASP A 82 -23.418 -14.374 42.313 1.00 0.00 O ATOM 0 H ASP A 82 -19.335 -13.149 40.101 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.686 -15.633 40.014 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -20.385 -14.098 42.014 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.589 -13.023 41.331 1.00 0.00 H new ATOM 670 N ASP A 83 -22.358 -13.161 38.592 1.00 0.00 N ATOM 671 CA ASP A 83 -23.528 -12.903 37.699 1.00 0.00 C ATOM 672 C ASP A 83 -23.079 -12.894 36.235 1.00 0.00 C ATOM 673 O ASP A 83 -23.724 -13.473 35.380 1.00 0.00 O ATOM 674 CB ASP A 83 -24.145 -11.545 38.044 1.00 0.00 C ATOM 675 CG ASP A 83 -24.450 -11.486 39.544 1.00 0.00 C ATOM 676 OD1 ASP A 83 -23.520 -11.617 40.323 1.00 0.00 O ATOM 677 OD2 ASP A 83 -25.607 -11.308 39.887 1.00 0.00 O ATOM 0 H ASP A 83 -21.780 -12.346 38.795 1.00 0.00 H new ATOM 0 HA ASP A 83 -24.266 -13.692 37.845 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -23.460 -10.743 37.770 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -25.059 -11.393 37.470 1.00 0.00 H new ATOM 678 N ARG A 84 -21.985 -12.237 35.939 1.00 0.00 N ATOM 679 CA ARG A 84 -21.490 -12.179 34.529 1.00 0.00 C ATOM 680 C ARG A 84 -21.287 -13.594 33.969 1.00 0.00 C ATOM 681 O ARG A 84 -21.276 -13.793 32.768 1.00 0.00 O ATOM 682 CB ARG A 84 -20.161 -11.424 34.490 1.00 0.00 C ATOM 683 CG ARG A 84 -20.044 -10.656 33.170 1.00 0.00 C ATOM 684 CD ARG A 84 -21.119 -9.566 33.107 1.00 0.00 C ATOM 685 NE ARG A 84 -22.237 -10.021 32.233 1.00 0.00 N ATOM 686 CZ ARG A 84 -23.391 -9.414 32.281 1.00 0.00 C ATOM 687 NH1 ARG A 84 -24.174 -9.584 33.312 1.00 0.00 N ATOM 688 NH2 ARG A 84 -23.762 -8.639 31.300 1.00 0.00 N ATOM 0 H ARG A 84 -21.411 -11.736 36.617 1.00 0.00 H new ATOM 0 HA ARG A 84 -22.231 -11.663 33.918 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -20.099 -10.733 35.331 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -19.331 -12.123 34.590 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.054 -10.208 33.086 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -20.157 -11.340 32.329 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -21.491 -9.349 34.108 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -20.692 -8.641 32.718 1.00 0.00 H new ATOM 0 HE ARG A 84 -22.100 -10.807 31.597 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -23.883 -10.191 34.079 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -25.076 -9.110 33.351 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -23.150 -8.507 30.495 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -24.664 -8.165 31.338 1.00 0.00 H new ATOM 689 N SER A 85 -21.121 -14.573 34.825 1.00 0.00 N ATOM 690 CA SER A 85 -20.915 -15.969 34.336 1.00 0.00 C ATOM 691 C SER A 85 -22.270 -16.594 33.978 1.00 0.00 C ATOM 692 O SER A 85 -22.674 -16.586 32.830 1.00 0.00 O ATOM 693 CB SER A 85 -20.221 -16.794 35.426 1.00 0.00 C ATOM 694 OG SER A 85 -18.867 -16.378 35.539 1.00 0.00 O ATOM 0 H SER A 85 -21.119 -14.464 35.839 1.00 0.00 H new ATOM 0 HA SER A 85 -20.286 -15.957 33.446 1.00 0.00 H new ATOM 0 HB2 SER A 85 -20.734 -16.664 36.379 1.00 0.00 H new ATOM 0 HB3 SER A 85 -20.268 -17.855 35.181 1.00 0.00 H new ATOM 0 HG SER A 85 -18.784 -15.728 36.267 1.00 0.00 H new ATOM 695 N LYS A 86 -22.979 -17.136 34.945 1.00 0.00 N ATOM 696 CA LYS A 86 -24.307 -17.760 34.656 1.00 0.00 C ATOM 697 C LYS A 86 -24.889 -18.344 35.949 1.00 0.00 C ATOM 698 O LYS A 86 -25.488 -19.403 35.947 1.00 0.00 O ATOM 699 CB LYS A 86 -24.143 -18.883 33.624 1.00 0.00 C ATOM 700 CG LYS A 86 -23.039 -19.841 34.078 1.00 0.00 C ATOM 701 CD LYS A 86 -23.181 -21.172 33.337 1.00 0.00 C ATOM 702 CE LYS A 86 -22.909 -20.961 31.848 1.00 0.00 C ATOM 703 NZ LYS A 86 -21.442 -20.811 31.628 1.00 0.00 N ATOM 0 H LYS A 86 -22.691 -17.171 35.923 1.00 0.00 H new ATOM 0 HA LYS A 86 -24.979 -17.000 34.259 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -25.082 -19.424 33.508 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -23.895 -18.462 32.650 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -22.060 -19.405 33.879 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -23.103 -20.003 35.154 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -22.483 -21.903 33.745 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -24.184 -21.575 33.480 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -23.289 -21.806 31.274 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -23.433 -20.074 31.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -21.234 -20.888 30.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.132 -19.881 31.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.935 -21.559 32.143 1.00 0.00 H new ATOM 704 N ILE A 87 -24.713 -17.660 37.052 1.00 0.00 N ATOM 705 CA ILE A 87 -25.250 -18.171 38.347 1.00 0.00 C ATOM 706 C ILE A 87 -26.423 -17.301 38.797 1.00 0.00 C ATOM 707 O ILE A 87 -27.555 -17.746 38.840 1.00 0.00 O ATOM 708 CB ILE A 87 -24.148 -18.132 39.408 1.00 0.00 C ATOM 709 CG1 ILE A 87 -22.914 -18.873 38.892 1.00 0.00 C ATOM 710 CG2 ILE A 87 -24.647 -18.804 40.690 1.00 0.00 C ATOM 711 CD1 ILE A 87 -21.720 -18.576 39.803 1.00 0.00 C ATOM 0 H ILE A 87 -24.220 -16.769 37.110 1.00 0.00 H new ATOM 0 HA ILE A 87 -25.592 -19.198 38.216 1.00 0.00 H new ATOM 0 HB ILE A 87 -23.887 -17.095 39.619 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -23.106 -19.946 38.865 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -22.692 -18.563 37.871 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -23.861 -18.776 41.445 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -25.525 -18.275 41.060 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -24.910 -19.840 40.479 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -20.841 -19.105 39.435 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -21.523 -17.504 39.807 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -21.944 -18.908 40.817 1.00 0.00 H new ATOM 712 N ALA A 88 -26.161 -16.063 39.134 1.00 0.00 N ATOM 713 CA ALA A 88 -27.256 -15.155 39.585 1.00 0.00 C ATOM 714 C ALA A 88 -28.206 -14.878 38.419 1.00 0.00 C ATOM 715 O ALA A 88 -28.008 -15.357 37.318 1.00 0.00 O ATOM 716 CB ALA A 88 -26.655 -13.838 40.077 1.00 0.00 C ATOM 0 H ALA A 88 -25.232 -15.642 39.116 1.00 0.00 H new ATOM 0 HA ALA A 88 -27.808 -15.629 40.396 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -27.454 -13.174 40.407 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -25.980 -14.035 40.910 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -26.102 -13.365 39.266 1.00 0.00 H new ATOM 717 N LYS A 89 -29.238 -14.106 38.655 1.00 0.00 N ATOM 718 CA LYS A 89 -30.209 -13.789 37.568 1.00 0.00 C ATOM 719 C LYS A 89 -31.229 -12.758 38.079 1.00 0.00 C ATOM 720 O LYS A 89 -31.368 -12.584 39.274 1.00 0.00 O ATOM 721 CB LYS A 89 -30.941 -15.067 37.150 1.00 0.00 C ATOM 722 CG LYS A 89 -31.568 -15.723 38.380 1.00 0.00 C ATOM 723 CD LYS A 89 -32.226 -17.044 37.975 1.00 0.00 C ATOM 724 CE LYS A 89 -32.780 -17.741 39.220 1.00 0.00 C ATOM 725 NZ LYS A 89 -34.016 -18.490 38.859 1.00 0.00 N ATOM 0 H LYS A 89 -29.448 -13.681 39.558 1.00 0.00 H new ATOM 0 HA LYS A 89 -29.675 -13.379 36.711 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -31.713 -14.833 36.417 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -30.246 -15.757 36.672 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -30.806 -15.902 39.138 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -32.308 -15.057 38.823 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -33.029 -16.859 37.261 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -31.500 -17.687 37.478 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -32.035 -18.423 39.630 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -33.000 -17.006 39.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -34.394 -18.964 39.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -34.727 -17.828 38.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -33.792 -19.201 38.134 1.00 0.00 H new ATOM 726 N PRO A 90 -31.917 -12.099 37.166 1.00 0.00 N ATOM 727 CA PRO A 90 -32.943 -11.065 37.506 1.00 0.00 C ATOM 728 C PRO A 90 -34.289 -11.729 37.814 1.00 0.00 C ATOM 729 O PRO A 90 -35.083 -11.979 36.926 1.00 0.00 O ATOM 730 CB PRO A 90 -33.029 -10.223 36.239 1.00 0.00 C ATOM 731 CG PRO A 90 -32.562 -11.098 35.084 1.00 0.00 C ATOM 732 CD PRO A 90 -31.783 -12.275 35.677 1.00 0.00 C ATOM 0 HA PRO A 90 -32.687 -10.477 38.388 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -34.050 -9.880 36.073 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -32.404 -9.334 36.325 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -33.414 -11.456 34.506 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -31.932 -10.527 34.402 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -32.196 -13.230 35.351 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -30.738 -12.257 35.367 1.00 0.00 H new ATOM 733 N SER A 91 -34.545 -12.014 39.065 1.00 0.00 N ATOM 734 CA SER A 91 -35.836 -12.661 39.441 1.00 0.00 C ATOM 735 C SER A 91 -36.090 -12.460 40.937 1.00 0.00 C ATOM 736 O SER A 91 -35.758 -13.305 41.748 1.00 0.00 O ATOM 737 CB SER A 91 -35.765 -14.157 39.131 1.00 0.00 C ATOM 738 OG SER A 91 -35.701 -14.342 37.724 1.00 0.00 O ATOM 0 H SER A 91 -33.913 -11.826 39.844 1.00 0.00 H new ATOM 0 HA SER A 91 -36.649 -12.211 38.871 1.00 0.00 H new ATOM 0 HB2 SER A 91 -34.889 -14.598 39.608 1.00 0.00 H new ATOM 0 HB3 SER A 91 -36.639 -14.666 39.537 1.00 0.00 H new ATOM 0 HG SER A 91 -35.821 -13.479 37.275 1.00 0.00 H new ATOM 739 N GLU A 92 -36.674 -11.349 41.304 1.00 0.00 N ATOM 740 CA GLU A 92 -36.954 -11.084 42.746 1.00 0.00 C ATOM 741 C GLU A 92 -38.086 -10.063 42.867 1.00 0.00 C ATOM 742 O GLU A 92 -38.135 -9.285 43.801 1.00 0.00 O ATOM 743 CB GLU A 92 -35.694 -10.530 43.417 1.00 0.00 C ATOM 744 CG GLU A 92 -34.909 -11.679 44.054 1.00 0.00 C ATOM 745 CD GLU A 92 -34.216 -11.181 45.324 1.00 0.00 C ATOM 746 OE1 GLU A 92 -34.837 -10.430 46.058 1.00 0.00 O ATOM 747 OE2 GLU A 92 -33.076 -11.559 45.541 1.00 0.00 O ATOM 0 H GLU A 92 -36.970 -10.612 40.665 1.00 0.00 H new ATOM 0 HA GLU A 92 -37.248 -12.013 43.235 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -35.074 -10.015 42.683 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -35.966 -9.796 44.176 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -35.580 -12.504 44.293 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -34.170 -12.063 43.350 1.00 0.00 H new ATOM 748 N THR A 93 -38.997 -10.060 41.925 1.00 0.00 N ATOM 749 CA THR A 93 -40.131 -9.093 41.975 1.00 0.00 C ATOM 750 C THR A 93 -41.084 -9.364 40.810 1.00 0.00 C ATOM 751 O THR A 93 -40.783 -10.134 39.918 1.00 0.00 O ATOM 752 CB THR A 93 -39.589 -7.665 41.869 1.00 0.00 C ATOM 753 OG1 THR A 93 -40.676 -6.754 41.776 1.00 0.00 O ATOM 754 CG2 THR A 93 -38.709 -7.542 40.626 1.00 0.00 C ATOM 0 H THR A 93 -39.002 -10.689 41.122 1.00 0.00 H new ATOM 0 HA THR A 93 -40.666 -9.210 42.917 1.00 0.00 H new ATOM 0 HB THR A 93 -38.996 -7.434 42.754 1.00 0.00 H new ATOM 0 HG1 THR A 93 -40.331 -5.839 41.710 1.00 0.00 H new ATOM 0 HG21 THR A 93 -38.324 -6.525 40.552 1.00 0.00 H new ATOM 0 HG22 THR A 93 -37.876 -8.241 40.699 1.00 0.00 H new ATOM 0 HG23 THR A 93 -39.299 -7.772 39.739 1.00 0.00 H new ATOM 755 N LEU A 94 -42.233 -8.734 40.811 1.00 0.00 N ATOM 756 CA LEU A 94 -43.213 -8.948 39.708 1.00 0.00 C ATOM 757 C LEU A 94 -43.007 -7.882 38.629 1.00 0.00 C ATOM 758 O LEU A 94 -43.657 -7.975 37.601 1.00 0.00 O ATOM 759 CB LEU A 94 -44.636 -8.843 40.262 1.00 0.00 C ATOM 760 CG LEU A 94 -45.132 -10.234 40.660 1.00 0.00 C ATOM 761 CD1 LEU A 94 -44.734 -10.523 42.108 1.00 0.00 C ATOM 762 CD2 LEU A 94 -46.657 -10.286 40.530 1.00 0.00 C ATOM 763 OXT LEU A 94 -42.201 -6.992 38.849 1.00 0.00 O ATOM 0 H LEU A 94 -42.533 -8.079 41.533 1.00 0.00 H new ATOM 0 HA LEU A 94 -43.063 -9.937 39.276 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -44.653 -8.178 41.126 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -45.298 -8.410 39.513 1.00 0.00 H new ATOM 0 HG LEU A 94 -44.684 -10.981 40.005 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -45.088 -11.514 42.392 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -43.649 -10.484 42.202 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -45.182 -9.777 42.764 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -47.013 -11.277 40.813 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -47.104 -9.539 41.186 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -46.941 -10.080 39.498 1.00 0.00 H new TER 764 LEU A 94