USER MOD reduce.3.24.130724 H: found=0, std=0, add=1290, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1288 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 18 ASN :FLIP amide:sc= 0.012 F(o=-3.6!,f=-0.022) USER MOD Set 1.2: B 65 ASN : amide:sc= -0.0343 K(o=-0.022,f=-1.6) USER MOD Set 2.1: B 57 LYS NZ :NH3+ 180:sc= 0.57 (180deg=-0.401) USER MOD Set 2.2: B 64 TYR OH : rot -70:sc= 1.17 USER MOD Set 3.1: A 57 LYS NZ :NH3+ -168:sc= -3.14! (180deg=-3.87!) USER MOD Set 3.2: A 72 SER OG : rot 35:sc= 1.13 USER MOD Set 4.1: A 50 ASN : amide:sc= 0.0278 K(o=0.19,f=-5.7) USER MOD Set 4.2: B 3 LYS NZ :NH3+ 180:sc= 0.159 (180deg=-0.857) USER MOD Set 5.1: A 3 LYS NZ :NH3+ -115:sc= 1.1 (180deg=0.978) USER MOD Set 5.2: B 50 ASN : amide:sc= 1.03 K(o=2.1,f=-4.6) USER MOD Single : A 1 MET CE :methyl -147:sc= -2.92! (180deg=-4.51!) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0.41 (180deg=0.278) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.712 K(o=0.71,f=-2.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot -54:sc= 0.00282 USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.02) USER MOD Single : A 33 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.13) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.592 USER MOD Single : A 39 THR OG1 : rot 73:sc= 0.204 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc=-0.00448 (180deg=-0.104) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 31:sc= -0.377 USER MOD Single : A 65 ASN : amide:sc= -0.225 K(o=-0.23,f=-3.8!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.14) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.282 K(o=0.28,f=-1.6) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl 163:sc= 0 (180deg=-0.298) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.53) USER MOD Single : B 12 LYS NZ :NH3+ 165:sc= -0.657 (180deg=-1.08) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 24 SER OG : rot 179:sc= -0.979 USER MOD Single : B 31 LYS NZ :NH3+ -134:sc= -0.515 (180deg=-2.54!) USER MOD Single : B 33 ASN :FLIP amide:sc= -0.0491 F(o=-0.63,f=-0.049) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 38 SER OG : rot 180:sc= -0.496 USER MOD Single : B 39 THR OG1 : rot 75:sc= 0.354 USER MOD Single : B 51 LYS NZ :NH3+ -144:sc= 0.00915 (180deg=0) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 68 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-0.72) USER MOD Single : B 72 SER OG : rot 43:sc= 0.484 USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : B 79 HIS : no HE2:sc= 0.658 K(o=0.66,f=-2.1!) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : B 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : B 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.513 17.427 -2.047 1.00 71.44 N ATOM 2 CA MET A 1 0.687 16.209 -1.789 1.00 72.30 C ATOM 3 C MET A 1 -0.236 16.356 -0.551 1.00 44.44 C ATOM 4 O MET A 1 -1.396 15.947 -0.603 1.00 34.35 O ATOM 5 CB MET A 1 1.589 14.950 -1.641 1.00 41.32 C ATOM 6 CG MET A 1 2.567 14.975 -0.458 1.00 75.13 C ATOM 7 SD MET A 1 3.254 13.350 -0.070 1.00 22.03 S ATOM 8 CE MET A 1 1.771 12.435 0.366 1.00 54.14 C ATOM 0 H1 MET A 1 1.911 17.379 -3.006 1.00 71.44 H new ATOM 0 H2 MET A 1 0.917 18.275 -1.961 1.00 71.44 H new ATOM 0 H3 MET A 1 2.286 17.476 -1.353 1.00 71.44 H new ATOM 0 HA MET A 1 0.039 16.088 -2.657 1.00 72.30 H new ATOM 0 HB2 MET A 1 0.948 14.074 -1.542 1.00 41.32 H new ATOM 0 HB3 MET A 1 2.161 14.824 -2.560 1.00 41.32 H new ATOM 0 HG2 MET A 1 3.382 15.663 -0.683 1.00 75.13 H new ATOM 0 HG3 MET A 1 2.054 15.365 0.421 1.00 75.13 H new ATOM 0 HE1 MET A 1 2.009 11.701 1.136 1.00 54.14 H new ATOM 0 HE2 MET A 1 1.016 13.124 0.744 1.00 54.14 H new ATOM 0 HE3 MET A 1 1.386 11.924 -0.516 1.00 54.14 H new ATOM 20 N ASP A 2 0.305 16.953 0.544 1.00 21.52 N ATOM 21 CA ASP A 2 -0.354 17.058 1.871 1.00 71.23 C ATOM 22 C ASP A 2 -0.556 15.651 2.486 1.00 30.14 C ATOM 23 O ASP A 2 -1.575 15.005 2.285 1.00 13.22 O ATOM 24 CB ASP A 2 -1.672 17.888 1.797 1.00 53.40 C ATOM 25 CG ASP A 2 -1.410 19.325 1.305 1.00 72.40 C ATOM 26 OD1 ASP A 2 -1.251 19.530 0.080 1.00 73.23 O ATOM 27 OD2 ASP A 2 -1.321 20.251 2.137 1.00 40.01 O ATOM 0 H ASP A 2 1.230 17.383 0.527 1.00 21.52 H new ATOM 0 HA ASP A 2 0.303 17.610 2.543 1.00 71.23 H new ATOM 0 HB2 ASP A 2 -2.376 17.396 1.126 1.00 53.40 H new ATOM 0 HB3 ASP A 2 -2.139 17.919 2.781 1.00 53.40 H new ATOM 32 N LYS A 3 0.455 15.193 3.240 1.00 33.21 N ATOM 33 CA LYS A 3 0.634 13.767 3.606 1.00 71.30 C ATOM 34 C LYS A 3 -0.411 13.218 4.617 1.00 51.52 C ATOM 35 O LYS A 3 -0.556 12.004 4.754 1.00 40.51 O ATOM 36 CB LYS A 3 2.082 13.577 4.123 1.00 74.21 C ATOM 37 CG LYS A 3 2.525 12.114 4.314 1.00 75.21 C ATOM 38 CD LYS A 3 4.026 11.984 4.653 1.00 41.02 C ATOM 39 CE LYS A 3 4.429 10.525 4.880 1.00 65.22 C ATOM 40 NZ LYS A 3 3.765 9.947 6.080 1.00 3.55 N ATOM 0 H LYS A 3 1.181 15.801 3.619 1.00 33.21 H new ATOM 0 HA LYS A 3 0.461 13.175 2.707 1.00 71.30 H new ATOM 0 HB2 LYS A 3 2.766 14.058 3.424 1.00 74.21 H new ATOM 0 HB3 LYS A 3 2.181 14.097 5.076 1.00 74.21 H new ATOM 0 HG2 LYS A 3 1.936 11.662 5.112 1.00 75.21 H new ATOM 0 HG3 LYS A 3 2.313 11.553 3.404 1.00 75.21 H new ATOM 0 HD2 LYS A 3 4.620 12.404 3.842 1.00 41.02 H new ATOM 0 HD3 LYS A 3 4.249 12.567 5.547 1.00 41.02 H new ATOM 0 HE2 LYS A 3 4.168 9.935 4.001 1.00 65.22 H new ATOM 0 HE3 LYS A 3 5.511 10.461 4.997 1.00 65.22 H new ATOM 0 HZ1 LYS A 3 4.482 9.718 6.797 1.00 3.55 H new ATOM 0 HZ2 LYS A 3 3.093 10.637 6.471 1.00 3.55 H new ATOM 0 HZ3 LYS A 3 3.255 9.081 5.811 1.00 3.55 H new ATOM 54 N LYS A 4 -1.161 14.103 5.297 1.00 14.21 N ATOM 55 CA LYS A 4 -2.213 13.686 6.268 1.00 5.14 C ATOM 56 C LYS A 4 -3.426 12.982 5.582 1.00 1.34 C ATOM 57 O LYS A 4 -4.258 12.369 6.268 1.00 14.11 O ATOM 58 CB LYS A 4 -2.689 14.884 7.128 1.00 64.33 C ATOM 59 CG LYS A 4 -3.387 16.029 6.354 1.00 60.32 C ATOM 60 CD LYS A 4 -3.907 17.147 7.295 1.00 24.20 C ATOM 61 CE LYS A 4 -4.928 16.634 8.330 1.00 42.22 C ATOM 62 NZ LYS A 4 -5.367 17.697 9.272 1.00 35.33 N ATOM 0 H LYS A 4 -1.065 15.114 5.199 1.00 14.21 H new ATOM 0 HA LYS A 4 -1.749 12.949 6.924 1.00 5.14 H new ATOM 0 HB2 LYS A 4 -3.376 14.512 7.888 1.00 64.33 H new ATOM 0 HB3 LYS A 4 -1.827 15.297 7.652 1.00 64.33 H new ATOM 0 HG2 LYS A 4 -2.688 16.458 5.636 1.00 60.32 H new ATOM 0 HG3 LYS A 4 -4.221 15.622 5.782 1.00 60.32 H new ATOM 0 HD2 LYS A 4 -3.063 17.597 7.817 1.00 24.20 H new ATOM 0 HD3 LYS A 4 -4.368 17.933 6.697 1.00 24.20 H new ATOM 0 HE2 LYS A 4 -5.798 16.232 7.810 1.00 42.22 H new ATOM 0 HE3 LYS A 4 -4.487 15.812 8.894 1.00 42.22 H new ATOM 0 HZ1 LYS A 4 -6.052 17.301 9.947 1.00 35.33 H new ATOM 0 HZ2 LYS A 4 -4.543 18.064 9.790 1.00 35.33 H new ATOM 0 HZ3 LYS A 4 -5.813 18.471 8.739 1.00 35.33 H new ATOM 76 N ILE A 5 -3.525 13.107 4.236 1.00 51.20 N ATOM 77 CA ILE A 5 -4.540 12.398 3.403 1.00 12.41 C ATOM 78 C ILE A 5 -4.602 10.877 3.720 1.00 62.20 C ATOM 79 O ILE A 5 -5.681 10.338 3.974 1.00 23.35 O ATOM 80 CB ILE A 5 -4.242 12.615 1.860 1.00 14.54 C ATOM 81 CG1 ILE A 5 -4.475 14.106 1.452 1.00 4.41 C ATOM 82 CG2 ILE A 5 -5.062 11.664 0.946 1.00 22.42 C ATOM 83 CD1 ILE A 5 -4.094 14.439 0.010 1.00 52.21 C ATOM 0 H ILE A 5 -2.903 13.704 3.691 1.00 51.20 H new ATOM 0 HA ILE A 5 -5.511 12.827 3.650 1.00 12.41 H new ATOM 0 HB ILE A 5 -3.191 12.366 1.710 1.00 14.54 H new ATOM 0 HG12 ILE A 5 -5.527 14.349 1.601 1.00 4.41 H new ATOM 0 HG13 ILE A 5 -3.901 14.746 2.122 1.00 4.41 H new ATOM 0 HG21 ILE A 5 -4.815 11.860 -0.097 1.00 22.42 H new ATOM 0 HG22 ILE A 5 -4.820 10.629 1.188 1.00 22.42 H new ATOM 0 HG23 ILE A 5 -6.127 11.835 1.105 1.00 22.42 H new ATOM 0 HD11 ILE A 5 -4.289 15.494 -0.184 1.00 52.21 H new ATOM 0 HD12 ILE A 5 -3.035 14.232 -0.144 1.00 52.21 H new ATOM 0 HD13 ILE A 5 -4.686 13.829 -0.673 1.00 52.21 H new ATOM 95 N VAL A 6 -3.432 10.212 3.730 1.00 43.32 N ATOM 96 CA VAL A 6 -3.336 8.748 3.964 1.00 42.32 C ATOM 97 C VAL A 6 -3.867 8.335 5.366 1.00 50.32 C ATOM 98 O VAL A 6 -4.371 7.225 5.532 1.00 20.31 O ATOM 99 CB VAL A 6 -1.861 8.236 3.749 1.00 32.33 C ATOM 100 CG1 VAL A 6 -1.399 8.519 2.303 1.00 14.43 C ATOM 101 CG2 VAL A 6 -0.888 8.857 4.781 1.00 22.01 C ATOM 0 H VAL A 6 -2.530 10.664 3.578 1.00 43.32 H new ATOM 0 HA VAL A 6 -3.979 8.268 3.226 1.00 42.32 H new ATOM 0 HB VAL A 6 -1.851 7.158 3.907 1.00 32.33 H new ATOM 0 HG11 VAL A 6 -0.379 8.160 2.170 1.00 14.43 H new ATOM 0 HG12 VAL A 6 -2.058 8.006 1.603 1.00 14.43 H new ATOM 0 HG13 VAL A 6 -1.433 9.592 2.113 1.00 14.43 H new ATOM 0 HG21 VAL A 6 0.120 8.482 4.603 1.00 22.01 H new ATOM 0 HG22 VAL A 6 -0.894 9.942 4.680 1.00 22.01 H new ATOM 0 HG23 VAL A 6 -1.204 8.585 5.788 1.00 22.01 H new ATOM 111 N GLY A 7 -3.782 9.257 6.348 1.00 31.41 N ATOM 112 CA GLY A 7 -4.355 9.040 7.688 1.00 32.44 C ATOM 113 C GLY A 7 -5.893 9.014 7.689 1.00 32.24 C ATOM 114 O GLY A 7 -6.515 8.219 8.412 1.00 4.24 O ATOM 0 H GLY A 7 -3.321 10.160 6.235 1.00 31.41 H new ATOM 0 HA2 GLY A 7 -3.981 8.098 8.088 1.00 32.44 H new ATOM 0 HA3 GLY A 7 -4.010 9.829 8.356 1.00 32.44 H new ATOM 118 N ALA A 8 -6.501 9.894 6.865 1.00 41.14 N ATOM 119 CA ALA A 8 -7.971 9.973 6.687 1.00 40.31 C ATOM 120 C ALA A 8 -8.529 8.731 5.935 1.00 62.34 C ATOM 121 O ALA A 8 -9.459 8.064 6.416 1.00 22.02 O ATOM 122 CB ALA A 8 -8.335 11.267 5.932 1.00 43.30 C ATOM 0 H ALA A 8 -5.987 10.572 6.302 1.00 41.14 H new ATOM 0 HA ALA A 8 -8.430 9.987 7.675 1.00 40.31 H new ATOM 0 HB1 ALA A 8 -9.416 11.321 5.803 1.00 43.30 H new ATOM 0 HB2 ALA A 8 -7.994 12.130 6.504 1.00 43.30 H new ATOM 0 HB3 ALA A 8 -7.853 11.266 4.954 1.00 43.30 H new ATOM 128 N ASN A 9 -7.932 8.432 4.759 1.00 53.15 N ATOM 129 CA ASN A 9 -8.322 7.282 3.893 1.00 41.54 C ATOM 130 C ASN A 9 -8.188 5.924 4.629 1.00 55.41 C ATOM 131 O ASN A 9 -9.092 5.085 4.556 1.00 20.12 O ATOM 132 CB ASN A 9 -7.478 7.274 2.580 1.00 33.20 C ATOM 133 CG ASN A 9 -7.920 8.348 1.578 1.00 21.24 C ATOM 134 OD1 ASN A 9 -8.704 8.094 0.673 1.00 4.12 O ATOM 135 ND2 ASN A 9 -7.444 9.563 1.745 1.00 45.21 N ATOM 0 H ASN A 9 -7.162 8.981 4.377 1.00 53.15 H new ATOM 0 HA ASN A 9 -9.374 7.412 3.639 1.00 41.54 H new ATOM 0 HB2 ASN A 9 -6.428 7.427 2.829 1.00 33.20 H new ATOM 0 HB3 ASN A 9 -7.555 6.293 2.111 1.00 33.20 H new ATOM 0 HD21 ASN A 9 -7.727 10.313 1.114 1.00 45.21 H new ATOM 0 HD22 ASN A 9 -6.792 9.755 2.505 1.00 45.21 H new ATOM 142 N ALA A 10 -7.080 5.747 5.377 1.00 54.25 N ATOM 143 CA ALA A 10 -6.787 4.482 6.099 1.00 13.23 C ATOM 144 C ALA A 10 -7.717 4.270 7.312 1.00 70.42 C ATOM 145 O ALA A 10 -7.968 3.134 7.703 1.00 4.44 O ATOM 146 CB ALA A 10 -5.323 4.451 6.547 1.00 50.45 C ATOM 0 H ALA A 10 -6.367 6.466 5.500 1.00 54.25 H new ATOM 0 HA ALA A 10 -6.971 3.665 5.401 1.00 13.23 H new ATOM 0 HB1 ALA A 10 -5.124 3.518 7.075 1.00 50.45 H new ATOM 0 HB2 ALA A 10 -4.674 4.520 5.674 1.00 50.45 H new ATOM 0 HB3 ALA A 10 -5.128 5.293 7.212 1.00 50.45 H new ATOM 152 N GLY A 11 -8.210 5.380 7.896 1.00 3.34 N ATOM 153 CA GLY A 11 -9.186 5.320 8.996 1.00 60.31 C ATOM 154 C GLY A 11 -10.523 4.691 8.570 1.00 34.24 C ATOM 155 O GLY A 11 -11.137 3.929 9.327 1.00 35.10 O ATOM 0 H GLY A 11 -7.947 6.327 7.623 1.00 3.34 H new ATOM 0 HA2 GLY A 11 -8.764 4.744 9.819 1.00 60.31 H new ATOM 0 HA3 GLY A 11 -9.366 6.327 9.371 1.00 60.31 H new ATOM 159 N LYS A 12 -10.956 5.023 7.336 1.00 22.43 N ATOM 160 CA LYS A 12 -12.178 4.455 6.717 1.00 52.53 C ATOM 161 C LYS A 12 -11.980 2.963 6.348 1.00 62.25 C ATOM 162 O LYS A 12 -12.864 2.124 6.590 1.00 32.14 O ATOM 163 CB LYS A 12 -12.569 5.276 5.459 1.00 44.11 C ATOM 164 CG LYS A 12 -13.818 4.751 4.706 1.00 12.01 C ATOM 165 CD LYS A 12 -14.228 5.654 3.519 1.00 40.22 C ATOM 166 CE LYS A 12 -14.651 7.059 3.970 1.00 21.34 C ATOM 167 NZ LYS A 12 -15.073 7.905 2.830 1.00 24.12 N ATOM 0 H LYS A 12 -10.470 5.692 6.738 1.00 22.43 H new ATOM 0 HA LYS A 12 -12.986 4.514 7.446 1.00 52.53 H new ATOM 0 HB2 LYS A 12 -12.749 6.309 5.757 1.00 44.11 H new ATOM 0 HB3 LYS A 12 -11.724 5.285 4.771 1.00 44.11 H new ATOM 0 HG2 LYS A 12 -13.618 3.745 4.338 1.00 12.01 H new ATOM 0 HG3 LYS A 12 -14.652 4.676 5.404 1.00 12.01 H new ATOM 0 HD2 LYS A 12 -13.393 5.735 2.823 1.00 40.22 H new ATOM 0 HD3 LYS A 12 -15.050 5.186 2.978 1.00 40.22 H new ATOM 0 HE2 LYS A 12 -15.470 6.979 4.685 1.00 21.34 H new ATOM 0 HE3 LYS A 12 -13.821 7.538 4.489 1.00 21.34 H new ATOM 0 HZ1 LYS A 12 -15.350 8.845 3.179 1.00 24.12 H new ATOM 0 HZ2 LYS A 12 -14.284 8.004 2.160 1.00 24.12 H new ATOM 0 HZ3 LYS A 12 -15.882 7.462 2.349 1.00 24.12 H new ATOM 181 N VAL A 13 -10.807 2.651 5.759 1.00 41.44 N ATOM 182 CA VAL A 13 -10.409 1.263 5.413 1.00 64.04 C ATOM 183 C VAL A 13 -10.370 0.359 6.675 1.00 60.01 C ATOM 184 O VAL A 13 -10.875 -0.772 6.663 1.00 63.25 O ATOM 185 CB VAL A 13 -9.017 1.251 4.668 1.00 21.31 C ATOM 186 CG1 VAL A 13 -8.524 -0.190 4.383 1.00 61.14 C ATOM 187 CG2 VAL A 13 -9.090 2.077 3.353 1.00 24.42 C ATOM 0 H VAL A 13 -10.108 3.350 5.509 1.00 41.44 H new ATOM 0 HA VAL A 13 -11.161 0.857 4.737 1.00 64.04 H new ATOM 0 HB VAL A 13 -8.290 1.717 5.333 1.00 21.31 H new ATOM 0 HG11 VAL A 13 -7.563 -0.151 3.870 1.00 61.14 H new ATOM 0 HG12 VAL A 13 -8.411 -0.729 5.324 1.00 61.14 H new ATOM 0 HG13 VAL A 13 -9.250 -0.706 3.755 1.00 61.14 H new ATOM 0 HG21 VAL A 13 -8.120 2.056 2.856 1.00 24.42 H new ATOM 0 HG22 VAL A 13 -9.845 1.647 2.695 1.00 24.42 H new ATOM 0 HG23 VAL A 13 -9.356 3.108 3.585 1.00 24.42 H new ATOM 197 N TRP A 14 -9.811 0.911 7.770 1.00 3.33 N ATOM 198 CA TRP A 14 -9.710 0.225 9.081 1.00 43.34 C ATOM 199 C TRP A 14 -11.104 -0.004 9.706 1.00 34.33 C ATOM 200 O TRP A 14 -11.304 -0.979 10.421 1.00 32.00 O ATOM 201 CB TRP A 14 -8.801 1.012 10.067 1.00 0.10 C ATOM 202 CG TRP A 14 -8.438 0.233 11.320 1.00 55.32 C ATOM 203 CD1 TRP A 14 -7.425 -0.682 11.470 1.00 35.31 C ATOM 204 CD2 TRP A 14 -9.108 0.292 12.583 1.00 23.15 C ATOM 205 NE1 TRP A 14 -7.427 -1.174 12.751 1.00 74.43 N ATOM 206 CE2 TRP A 14 -8.451 -0.589 13.453 1.00 4.13 C ATOM 207 CE3 TRP A 14 -10.194 1.025 13.053 1.00 74.13 C ATOM 208 CZ2 TRP A 14 -8.860 -0.772 14.773 1.00 40.01 C ATOM 209 CZ3 TRP A 14 -10.603 0.849 14.361 1.00 72.04 C ATOM 210 CH2 TRP A 14 -9.933 -0.041 15.212 1.00 53.13 C ATOM 0 H TRP A 14 -9.414 1.850 7.774 1.00 3.33 H new ATOM 0 HA TRP A 14 -9.253 -0.747 8.898 1.00 43.34 H new ATOM 0 HB2 TRP A 14 -7.885 1.300 9.551 1.00 0.10 H new ATOM 0 HB3 TRP A 14 -9.307 1.933 10.357 1.00 0.10 H new ATOM 0 HD1 TRP A 14 -6.730 -0.971 10.695 1.00 35.31 H new ATOM 0 HE1 TRP A 14 -6.773 -1.863 13.122 1.00 74.43 H new ATOM 0 HE3 TRP A 14 -10.708 1.720 12.406 1.00 74.13 H new ATOM 0 HZ2 TRP A 14 -8.350 -1.465 15.426 1.00 40.01 H new ATOM 0 HZ3 TRP A 14 -11.451 1.405 14.733 1.00 72.04 H new ATOM 0 HH2 TRP A 14 -10.269 -0.153 16.232 1.00 53.13 H new ATOM 221 N HIS A 15 -12.054 0.926 9.460 1.00 2.21 N ATOM 222 CA HIS A 15 -13.453 0.766 9.928 1.00 70.42 C ATOM 223 C HIS A 15 -14.109 -0.505 9.324 1.00 35.33 C ATOM 224 O HIS A 15 -14.615 -1.351 10.064 1.00 54.44 O ATOM 225 CB HIS A 15 -14.312 2.022 9.609 1.00 13.50 C ATOM 226 CG HIS A 15 -15.774 1.837 9.949 1.00 42.33 C ATOM 227 ND1 HIS A 15 -16.226 1.738 11.246 1.00 42.42 N ATOM 228 CD2 HIS A 15 -16.864 1.634 9.164 1.00 53.24 C ATOM 229 CE1 HIS A 15 -17.515 1.466 11.248 1.00 64.04 C ATOM 230 NE2 HIS A 15 -17.930 1.405 10.000 1.00 11.13 N ATOM 0 H HIS A 15 -11.882 1.789 8.945 1.00 2.21 H new ATOM 0 HA HIS A 15 -13.415 0.650 11.011 1.00 70.42 H new ATOM 0 HB2 HIS A 15 -13.920 2.874 10.164 1.00 13.50 H new ATOM 0 HB3 HIS A 15 -14.218 2.261 8.550 1.00 13.50 H new ATOM 0 HD2 HIS A 15 -16.888 1.650 8.084 1.00 53.24 H new ATOM 0 HE1 HIS A 15 -18.128 1.318 12.125 1.00 64.04 H new ATOM 0 HE2 HIS A 15 -18.887 1.218 9.702 1.00 11.13 H new ATOM 239 N ALA A 16 -14.073 -0.623 7.979 1.00 33.04 N ATOM 240 CA ALA A 16 -14.656 -1.783 7.246 1.00 51.23 C ATOM 241 C ALA A 16 -13.924 -3.104 7.600 1.00 1.32 C ATOM 242 O ALA A 16 -14.524 -4.180 7.608 1.00 41.22 O ATOM 243 CB ALA A 16 -14.607 -1.526 5.729 1.00 61.12 C ATOM 0 H ALA A 16 -13.644 0.073 7.369 1.00 33.04 H new ATOM 0 HA ALA A 16 -15.696 -1.892 7.555 1.00 51.23 H new ATOM 0 HB1 ALA A 16 -15.035 -2.379 5.202 1.00 61.12 H new ATOM 0 HB2 ALA A 16 -15.179 -0.629 5.493 1.00 61.12 H new ATOM 0 HB3 ALA A 16 -13.572 -1.388 5.417 1.00 61.12 H new ATOM 249 N LEU A 17 -12.626 -2.969 7.904 1.00 40.44 N ATOM 250 CA LEU A 17 -11.740 -4.066 8.335 1.00 32.21 C ATOM 251 C LEU A 17 -12.131 -4.589 9.750 1.00 64.21 C ATOM 252 O LEU A 17 -12.291 -5.796 9.959 1.00 72.23 O ATOM 253 CB LEU A 17 -10.269 -3.524 8.266 1.00 14.32 C ATOM 254 CG LEU A 17 -9.086 -4.402 8.799 1.00 4.22 C ATOM 255 CD1 LEU A 17 -8.831 -4.198 10.311 1.00 11.13 C ATOM 256 CD2 LEU A 17 -9.288 -5.883 8.438 1.00 72.44 C ATOM 0 H LEU A 17 -12.147 -2.070 7.856 1.00 40.44 H new ATOM 0 HA LEU A 17 -11.838 -4.931 7.679 1.00 32.21 H new ATOM 0 HB2 LEU A 17 -10.057 -3.293 7.222 1.00 14.32 H new ATOM 0 HB3 LEU A 17 -10.245 -2.581 8.812 1.00 14.32 H new ATOM 0 HG LEU A 17 -8.181 -4.062 8.294 1.00 4.22 H new ATOM 0 HD11 LEU A 17 -8.001 -4.830 10.629 1.00 11.13 H new ATOM 0 HD12 LEU A 17 -8.585 -3.153 10.501 1.00 11.13 H new ATOM 0 HD13 LEU A 17 -9.727 -4.467 10.871 1.00 11.13 H new ATOM 0 HD21 LEU A 17 -8.452 -6.468 8.821 1.00 72.44 H new ATOM 0 HD22 LEU A 17 -10.216 -6.243 8.883 1.00 72.44 H new ATOM 0 HD23 LEU A 17 -9.340 -5.990 7.354 1.00 72.44 H new ATOM 268 N ASN A 18 -12.270 -3.665 10.711 1.00 12.22 N ATOM 269 CA ASN A 18 -12.568 -3.999 12.131 1.00 54.43 C ATOM 270 C ASN A 18 -14.046 -4.446 12.301 1.00 5.44 C ATOM 271 O ASN A 18 -14.385 -5.172 13.242 1.00 74.12 O ATOM 272 CB ASN A 18 -12.243 -2.773 13.035 1.00 3.23 C ATOM 273 CG ASN A 18 -12.323 -3.093 14.533 1.00 61.53 C ATOM 274 OD1 ASN A 18 -11.341 -3.489 15.146 1.00 33.43 O ATOM 275 ND2 ASN A 18 -13.494 -2.952 15.132 1.00 42.54 N ATOM 0 H ASN A 18 -12.181 -2.664 10.537 1.00 12.22 H new ATOM 0 HA ASN A 18 -11.940 -4.836 12.436 1.00 54.43 H new ATOM 0 HB2 ASN A 18 -11.242 -2.411 12.800 1.00 3.23 H new ATOM 0 HB3 ASN A 18 -12.937 -1.965 12.804 1.00 3.23 H new ATOM 0 HD21 ASN A 18 -13.590 -3.175 16.123 1.00 42.54 H new ATOM 0 HD22 ASN A 18 -14.301 -2.620 14.603 1.00 42.54 H new ATOM 282 N GLU A 19 -14.897 -4.007 11.365 1.00 33.41 N ATOM 283 CA GLU A 19 -16.338 -4.339 11.324 1.00 31.45 C ATOM 284 C GLU A 19 -16.552 -5.753 10.721 1.00 64.11 C ATOM 285 O GLU A 19 -17.438 -6.499 11.155 1.00 24.21 O ATOM 286 CB GLU A 19 -17.062 -3.261 10.472 1.00 22.54 C ATOM 287 CG GLU A 19 -18.596 -3.375 10.401 1.00 32.53 C ATOM 288 CD GLU A 19 -19.221 -2.267 9.532 1.00 74.42 C ATOM 289 OE1 GLU A 19 -19.472 -1.152 10.046 1.00 12.14 O ATOM 290 OE2 GLU A 19 -19.447 -2.498 8.326 1.00 74.32 O ATOM 0 H GLU A 19 -14.604 -3.400 10.599 1.00 33.41 H new ATOM 0 HA GLU A 19 -16.749 -4.347 12.334 1.00 31.45 H new ATOM 0 HB2 GLU A 19 -16.809 -2.279 10.872 1.00 22.54 H new ATOM 0 HB3 GLU A 19 -16.667 -3.303 9.457 1.00 22.54 H new ATOM 0 HG2 GLU A 19 -18.868 -4.350 9.996 1.00 32.53 H new ATOM 0 HG3 GLU A 19 -19.010 -3.322 11.408 1.00 32.53 H new ATOM 297 N ALA A 20 -15.723 -6.095 9.710 1.00 5.12 N ATOM 298 CA ALA A 20 -15.757 -7.407 9.025 1.00 52.25 C ATOM 299 C ALA A 20 -14.408 -7.688 8.310 1.00 12.55 C ATOM 300 O ALA A 20 -14.120 -7.103 7.262 1.00 61.22 O ATOM 301 CB ALA A 20 -16.933 -7.451 8.025 1.00 11.04 C ATOM 0 H ALA A 20 -15.008 -5.466 9.344 1.00 5.12 H new ATOM 0 HA ALA A 20 -15.908 -8.188 9.770 1.00 52.25 H new ATOM 0 HB1 ALA A 20 -16.950 -8.420 7.526 1.00 11.04 H new ATOM 0 HB2 ALA A 20 -17.871 -7.302 8.560 1.00 11.04 H new ATOM 0 HB3 ALA A 20 -16.809 -6.663 7.283 1.00 11.04 H new ATOM 307 N ASP A 21 -13.571 -8.559 8.902 1.00 32.23 N ATOM 308 CA ASP A 21 -12.248 -8.933 8.336 1.00 70.42 C ATOM 309 C ASP A 21 -12.319 -10.233 7.493 1.00 71.42 C ATOM 310 O ASP A 21 -13.304 -10.985 7.558 1.00 40.52 O ATOM 311 CB ASP A 21 -11.209 -9.071 9.479 1.00 21.11 C ATOM 312 CG ASP A 21 -11.517 -10.202 10.476 1.00 65.32 C ATOM 313 OD1 ASP A 21 -12.548 -10.121 11.174 1.00 4.20 O ATOM 314 OD2 ASP A 21 -10.727 -11.164 10.581 1.00 72.15 O ATOM 0 H ASP A 21 -13.785 -9.026 9.783 1.00 32.23 H new ATOM 0 HA ASP A 21 -11.935 -8.137 7.660 1.00 70.42 H new ATOM 0 HB2 ASP A 21 -10.225 -9.244 9.042 1.00 21.11 H new ATOM 0 HB3 ASP A 21 -11.155 -8.127 10.022 1.00 21.11 H new ATOM 319 N GLY A 22 -11.251 -10.494 6.716 1.00 50.04 N ATOM 320 CA GLY A 22 -11.218 -11.635 5.785 1.00 23.15 C ATOM 321 C GLY A 22 -11.684 -11.251 4.388 1.00 12.22 C ATOM 322 O GLY A 22 -12.710 -11.747 3.898 1.00 2.51 O ATOM 0 H GLY A 22 -10.401 -9.930 6.715 1.00 50.04 H new ATOM 0 HA2 GLY A 22 -10.203 -12.029 5.732 1.00 23.15 H new ATOM 0 HA3 GLY A 22 -11.851 -12.434 6.170 1.00 23.15 H new ATOM 326 N ILE A 23 -10.911 -10.354 3.747 1.00 4.34 N ATOM 327 CA ILE A 23 -11.262 -9.765 2.439 1.00 32.22 C ATOM 328 C ILE A 23 -9.994 -9.264 1.692 1.00 23.03 C ATOM 329 O ILE A 23 -9.011 -8.885 2.323 1.00 51.12 O ATOM 330 CB ILE A 23 -12.300 -8.595 2.638 1.00 3.33 C ATOM 331 CG1 ILE A 23 -12.812 -8.060 1.269 1.00 31.21 C ATOM 332 CG2 ILE A 23 -11.716 -7.451 3.512 1.00 71.03 C ATOM 333 CD1 ILE A 23 -13.921 -7.042 1.370 1.00 21.22 C ATOM 0 H ILE A 23 -10.024 -10.016 4.121 1.00 4.34 H new ATOM 0 HA ILE A 23 -11.721 -10.538 1.822 1.00 32.22 H new ATOM 0 HB ILE A 23 -13.155 -9.005 3.175 1.00 3.33 H new ATOM 0 HG12 ILE A 23 -11.975 -7.615 0.731 1.00 31.21 H new ATOM 0 HG13 ILE A 23 -13.162 -8.902 0.672 1.00 31.21 H new ATOM 0 HG21 ILE A 23 -12.461 -6.664 3.626 1.00 71.03 H new ATOM 0 HG22 ILE A 23 -11.449 -7.843 4.493 1.00 71.03 H new ATOM 0 HG23 ILE A 23 -10.827 -7.043 3.031 1.00 71.03 H new ATOM 0 HD11 ILE A 23 -14.216 -6.724 0.370 1.00 21.22 H new ATOM 0 HD12 ILE A 23 -14.778 -7.486 1.877 1.00 21.22 H new ATOM 0 HD13 ILE A 23 -13.572 -6.179 1.937 1.00 21.22 H new ATOM 345 N SER A 24 -10.021 -9.293 0.341 1.00 2.01 N ATOM 346 CA SER A 24 -8.907 -8.790 -0.508 1.00 61.41 C ATOM 347 C SER A 24 -9.031 -7.269 -0.771 1.00 61.14 C ATOM 348 O SER A 24 -10.126 -6.707 -0.685 1.00 12.43 O ATOM 349 CB SER A 24 -8.857 -9.565 -1.848 1.00 71.52 C ATOM 350 OG SER A 24 -8.612 -10.953 -1.645 1.00 3.04 O ATOM 0 H SER A 24 -10.808 -9.662 -0.193 1.00 2.01 H new ATOM 0 HA SER A 24 -7.977 -8.958 0.035 1.00 61.41 H new ATOM 0 HB2 SER A 24 -9.800 -9.436 -2.378 1.00 71.52 H new ATOM 0 HB3 SER A 24 -8.075 -9.146 -2.482 1.00 71.52 H new ATOM 0 HG SER A 24 -7.802 -11.067 -1.105 1.00 3.04 H new ATOM 356 N ILE A 25 -7.890 -6.629 -1.127 1.00 2.22 N ATOM 357 CA ILE A 25 -7.784 -5.153 -1.343 1.00 2.33 C ATOM 358 C ILE A 25 -8.833 -4.573 -2.368 1.00 55.11 C ATOM 359 O ILE A 25 -9.529 -3.618 -2.018 1.00 21.22 O ATOM 360 CB ILE A 25 -6.319 -4.733 -1.792 1.00 50.11 C ATOM 361 CG1 ILE A 25 -5.256 -5.145 -0.717 1.00 41.44 C ATOM 362 CG2 ILE A 25 -6.226 -3.220 -2.124 1.00 22.13 C ATOM 363 CD1 ILE A 25 -3.796 -4.870 -1.091 1.00 30.14 C ATOM 0 H ILE A 25 -7.008 -7.120 -1.275 1.00 2.22 H new ATOM 0 HA ILE A 25 -8.013 -4.715 -0.371 1.00 2.33 H new ATOM 0 HB ILE A 25 -6.096 -5.277 -2.710 1.00 50.11 H new ATOM 0 HG12 ILE A 25 -5.480 -4.618 0.210 1.00 41.44 H new ATOM 0 HG13 ILE A 25 -5.366 -6.210 -0.513 1.00 41.44 H new ATOM 0 HG21 ILE A 25 -5.208 -2.976 -2.426 1.00 22.13 H new ATOM 0 HG22 ILE A 25 -6.913 -2.983 -2.937 1.00 22.13 H new ATOM 0 HG23 ILE A 25 -6.492 -2.637 -1.242 1.00 22.13 H new ATOM 0 HD11 ILE A 25 -3.145 -5.192 -0.278 1.00 30.14 H new ATOM 0 HD12 ILE A 25 -3.543 -5.419 -1.998 1.00 30.14 H new ATOM 0 HD13 ILE A 25 -3.659 -3.802 -1.263 1.00 30.14 H new ATOM 375 N PRO A 26 -8.980 -5.115 -3.645 1.00 53.23 N ATOM 376 CA PRO A 26 -9.913 -4.520 -4.650 1.00 71.13 C ATOM 377 C PRO A 26 -11.415 -4.645 -4.276 1.00 55.25 C ATOM 378 O PRO A 26 -12.236 -3.816 -4.686 1.00 5.01 O ATOM 379 CB PRO A 26 -9.576 -5.289 -5.962 1.00 22.33 C ATOM 380 CG PRO A 26 -9.031 -6.601 -5.495 1.00 22.25 C ATOM 381 CD PRO A 26 -8.260 -6.290 -4.224 1.00 41.32 C ATOM 0 HA PRO A 26 -9.772 -3.442 -4.729 1.00 71.13 H new ATOM 0 HB2 PRO A 26 -10.462 -5.425 -6.582 1.00 22.33 H new ATOM 0 HB3 PRO A 26 -8.846 -4.747 -6.564 1.00 22.33 H new ATOM 0 HG2 PRO A 26 -9.833 -7.313 -5.303 1.00 22.25 H new ATOM 0 HG3 PRO A 26 -8.382 -7.047 -6.249 1.00 22.25 H new ATOM 0 HD2 PRO A 26 -8.262 -7.137 -3.538 1.00 41.32 H new ATOM 0 HD3 PRO A 26 -7.217 -6.054 -4.437 1.00 41.32 H new ATOM 389 N GLU A 27 -11.752 -5.665 -3.475 1.00 4.21 N ATOM 390 CA GLU A 27 -13.131 -5.904 -3.005 1.00 35.53 C ATOM 391 C GLU A 27 -13.473 -4.898 -1.882 1.00 11.13 C ATOM 392 O GLU A 27 -14.535 -4.263 -1.860 1.00 54.15 O ATOM 393 CB GLU A 27 -13.234 -7.359 -2.486 1.00 53.13 C ATOM 394 CG GLU A 27 -14.669 -7.853 -2.207 1.00 14.51 C ATOM 395 CD GLU A 27 -15.582 -7.795 -3.446 1.00 22.34 C ATOM 396 OE1 GLU A 27 -15.364 -8.578 -4.401 1.00 52.25 O ATOM 397 OE2 GLU A 27 -16.521 -6.968 -3.478 1.00 15.41 O ATOM 0 H GLU A 27 -11.079 -6.350 -3.132 1.00 4.21 H new ATOM 0 HA GLU A 27 -13.840 -5.764 -3.821 1.00 35.53 H new ATOM 0 HB2 GLU A 27 -12.773 -8.023 -3.217 1.00 53.13 H new ATOM 0 HB3 GLU A 27 -12.652 -7.443 -1.568 1.00 53.13 H new ATOM 0 HG2 GLU A 27 -14.628 -8.879 -1.841 1.00 14.51 H new ATOM 0 HG3 GLU A 27 -15.107 -7.248 -1.413 1.00 14.51 H new ATOM 404 N LEU A 28 -12.506 -4.775 -0.972 1.00 13.23 N ATOM 405 CA LEU A 28 -12.483 -3.806 0.138 1.00 54.01 C ATOM 406 C LEU A 28 -12.524 -2.337 -0.371 1.00 53.25 C ATOM 407 O LEU A 28 -13.127 -1.461 0.262 1.00 45.12 O ATOM 408 CB LEU A 28 -11.189 -4.099 0.936 1.00 34.01 C ATOM 409 CG LEU A 28 -10.820 -3.157 2.110 1.00 2.23 C ATOM 410 CD1 LEU A 28 -11.888 -3.173 3.228 1.00 41.24 C ATOM 411 CD2 LEU A 28 -9.413 -3.519 2.637 1.00 60.44 C ATOM 0 H LEU A 28 -11.679 -5.371 -0.984 1.00 13.23 H new ATOM 0 HA LEU A 28 -13.367 -3.915 0.767 1.00 54.01 H new ATOM 0 HB2 LEU A 28 -11.266 -5.111 1.333 1.00 34.01 H new ATOM 0 HB3 LEU A 28 -10.357 -4.095 0.232 1.00 34.01 H new ATOM 0 HG LEU A 28 -10.798 -2.132 1.741 1.00 2.23 H new ATOM 0 HD11 LEU A 28 -11.586 -2.498 4.029 1.00 41.24 H new ATOM 0 HD12 LEU A 28 -12.846 -2.848 2.821 1.00 41.24 H new ATOM 0 HD13 LEU A 28 -11.986 -4.184 3.623 1.00 41.24 H new ATOM 0 HD21 LEU A 28 -9.152 -2.857 3.463 1.00 60.44 H new ATOM 0 HD22 LEU A 28 -9.409 -4.552 2.985 1.00 60.44 H new ATOM 0 HD23 LEU A 28 -8.683 -3.404 1.835 1.00 60.44 H new ATOM 423 N ALA A 29 -11.880 -2.104 -1.536 1.00 24.30 N ATOM 424 CA ALA A 29 -11.819 -0.778 -2.200 1.00 13.34 C ATOM 425 C ALA A 29 -13.220 -0.241 -2.576 1.00 21.25 C ATOM 426 O ALA A 29 -13.511 0.944 -2.382 1.00 11.21 O ATOM 427 CB ALA A 29 -10.914 -0.854 -3.440 1.00 64.44 C ATOM 0 H ALA A 29 -11.384 -2.834 -2.047 1.00 24.30 H new ATOM 0 HA ALA A 29 -11.395 -0.072 -1.486 1.00 13.34 H new ATOM 0 HB1 ALA A 29 -10.874 0.123 -3.922 1.00 64.44 H new ATOM 0 HB2 ALA A 29 -9.909 -1.152 -3.140 1.00 64.44 H new ATOM 0 HB3 ALA A 29 -11.316 -1.587 -4.139 1.00 64.44 H new ATOM 433 N ARG A 30 -14.087 -1.133 -3.090 1.00 50.21 N ATOM 434 CA ARG A 30 -15.474 -0.776 -3.478 1.00 63.12 C ATOM 435 C ARG A 30 -16.374 -0.511 -2.243 1.00 14.34 C ATOM 436 O ARG A 30 -17.334 0.264 -2.333 1.00 51.34 O ATOM 437 CB ARG A 30 -16.095 -1.882 -4.376 1.00 54.03 C ATOM 438 CG ARG A 30 -15.439 -2.021 -5.770 1.00 2.10 C ATOM 439 CD ARG A 30 -16.179 -3.022 -6.683 1.00 32.23 C ATOM 440 NE ARG A 30 -17.617 -2.681 -6.819 1.00 31.02 N ATOM 441 CZ ARG A 30 -18.243 -2.344 -7.932 1.00 31.13 C ATOM 442 NH1 ARG A 30 -17.620 -2.262 -9.069 1.00 1.23 N ATOM 443 NH2 ARG A 30 -19.506 -2.081 -7.884 1.00 63.43 N ATOM 0 H ARG A 30 -13.854 -2.113 -3.249 1.00 50.21 H new ATOM 0 HA ARG A 30 -15.420 0.152 -4.048 1.00 63.12 H new ATOM 0 HB2 ARG A 30 -16.021 -2.838 -3.857 1.00 54.03 H new ATOM 0 HB3 ARG A 30 -17.156 -1.672 -4.507 1.00 54.03 H new ATOM 0 HG2 ARG A 30 -15.415 -1.045 -6.254 1.00 2.10 H new ATOM 0 HG3 ARG A 30 -14.405 -2.343 -5.649 1.00 2.10 H new ATOM 0 HD2 ARG A 30 -15.712 -3.030 -7.668 1.00 32.23 H new ATOM 0 HD3 ARG A 30 -16.080 -4.028 -6.275 1.00 32.23 H new ATOM 0 HE ARG A 30 -18.178 -2.710 -5.968 1.00 31.02 H new ATOM 0 HH11 ARG A 30 -16.621 -2.460 -9.118 1.00 1.23 H new ATOM 0 HH12 ARG A 30 -18.130 -1.999 -9.912 1.00 1.23 H new ATOM 0 HH21 ARG A 30 -20.005 -2.135 -6.996 1.00 63.43 H new ATOM 0 HH22 ARG A 30 -20.005 -1.819 -8.734 1.00 63.43 H new ATOM 457 N LYS A 31 -16.057 -1.151 -1.095 1.00 23.23 N ATOM 458 CA LYS A 31 -16.783 -0.926 0.185 1.00 43.12 C ATOM 459 C LYS A 31 -16.547 0.508 0.708 1.00 63.13 C ATOM 460 O LYS A 31 -17.495 1.248 1.002 1.00 13.34 O ATOM 461 CB LYS A 31 -16.313 -1.935 1.263 1.00 33.42 C ATOM 462 CG LYS A 31 -16.507 -3.411 0.888 1.00 43.32 C ATOM 463 CD LYS A 31 -16.018 -4.361 2.000 1.00 30.33 C ATOM 464 CE LYS A 31 -16.803 -4.214 3.313 1.00 55.31 C ATOM 465 NZ LYS A 31 -18.227 -4.614 3.161 1.00 13.43 N ATOM 0 H LYS A 31 -15.300 -1.831 -1.024 1.00 23.23 H new ATOM 0 HA LYS A 31 -17.846 -1.068 -0.011 1.00 43.12 H new ATOM 0 HB2 LYS A 31 -15.256 -1.762 1.467 1.00 33.42 H new ATOM 0 HB3 LYS A 31 -16.853 -1.735 2.188 1.00 33.42 H new ATOM 0 HG2 LYS A 31 -17.562 -3.599 0.690 1.00 43.32 H new ATOM 0 HG3 LYS A 31 -15.967 -3.624 -0.034 1.00 43.32 H new ATOM 0 HD2 LYS A 31 -16.098 -5.390 1.650 1.00 30.33 H new ATOM 0 HD3 LYS A 31 -14.962 -4.171 2.193 1.00 30.33 H new ATOM 0 HE2 LYS A 31 -16.336 -4.826 4.085 1.00 55.31 H new ATOM 0 HE3 LYS A 31 -16.752 -3.179 3.652 1.00 55.31 H new ATOM 0 HZ1 LYS A 31 -18.706 -4.548 4.082 1.00 13.43 H new ATOM 0 HZ2 LYS A 31 -18.695 -3.981 2.481 1.00 13.43 H new ATOM 0 HZ3 LYS A 31 -18.277 -5.593 2.814 1.00 13.43 H new ATOM 479 N VAL A 32 -15.259 0.877 0.803 1.00 31.13 N ATOM 480 CA VAL A 32 -14.821 2.216 1.258 1.00 23.31 C ATOM 481 C VAL A 32 -14.946 3.280 0.130 1.00 52.42 C ATOM 482 O VAL A 32 -14.705 4.472 0.361 1.00 25.20 O ATOM 483 CB VAL A 32 -13.345 2.144 1.804 1.00 2.50 C ATOM 484 CG1 VAL A 32 -13.255 1.158 2.998 1.00 52.11 C ATOM 485 CG2 VAL A 32 -12.336 1.765 0.689 1.00 22.21 C ATOM 0 H VAL A 32 -14.486 0.256 0.566 1.00 31.13 H new ATOM 0 HA VAL A 32 -15.482 2.530 2.066 1.00 23.31 H new ATOM 0 HB VAL A 32 -13.073 3.139 2.157 1.00 2.50 H new ATOM 0 HG11 VAL A 32 -12.228 1.121 3.363 1.00 52.11 H new ATOM 0 HG12 VAL A 32 -13.913 1.496 3.799 1.00 52.11 H new ATOM 0 HG13 VAL A 32 -13.561 0.164 2.673 1.00 52.11 H new ATOM 0 HG21 VAL A 32 -11.330 1.726 1.107 1.00 22.21 H new ATOM 0 HG22 VAL A 32 -12.597 0.789 0.279 1.00 22.21 H new ATOM 0 HG23 VAL A 32 -12.371 2.513 -0.103 1.00 22.21 H new ATOM 495 N ASN A 33 -15.304 2.807 -1.093 1.00 12.05 N ATOM 496 CA ASN A 33 -15.610 3.646 -2.281 1.00 54.24 C ATOM 497 C ASN A 33 -14.335 4.361 -2.844 1.00 34.20 C ATOM 498 O ASN A 33 -14.418 5.276 -3.671 1.00 22.24 O ATOM 499 CB ASN A 33 -16.795 4.615 -1.954 1.00 3.01 C ATOM 500 CG ASN A 33 -17.367 5.349 -3.168 1.00 14.25 C ATOM 501 OD1 ASN A 33 -17.037 6.500 -3.432 1.00 70.00 O ATOM 502 ND2 ASN A 33 -18.207 4.681 -3.935 1.00 3.32 N ATOM 0 H ASN A 33 -15.390 1.809 -1.284 1.00 12.05 H new ATOM 0 HA ASN A 33 -15.940 3.003 -3.097 1.00 54.24 H new ATOM 0 HB2 ASN A 33 -17.594 4.045 -1.480 1.00 3.01 H new ATOM 0 HB3 ASN A 33 -16.455 5.352 -1.227 1.00 3.01 H new ATOM 0 HD21 ASN A 33 -18.597 5.121 -4.768 1.00 3.32 H new ATOM 0 HD22 ASN A 33 -18.467 3.724 -3.695 1.00 3.32 H new ATOM 509 N LEU A 34 -13.146 3.879 -2.433 1.00 2.23 N ATOM 510 CA LEU A 34 -11.842 4.388 -2.922 1.00 71.11 C ATOM 511 C LEU A 34 -11.305 3.482 -4.063 1.00 35.34 C ATOM 512 O LEU A 34 -11.801 2.369 -4.269 1.00 62.32 O ATOM 513 CB LEU A 34 -10.820 4.444 -1.747 1.00 63.11 C ATOM 514 CG LEU A 34 -11.301 5.171 -0.443 1.00 23.50 C ATOM 515 CD1 LEU A 34 -10.216 5.108 0.656 1.00 70.41 C ATOM 516 CD2 LEU A 34 -11.751 6.625 -0.719 1.00 32.32 C ATOM 0 H LEU A 34 -13.059 3.125 -1.752 1.00 2.23 H new ATOM 0 HA LEU A 34 -11.980 5.395 -3.316 1.00 71.11 H new ATOM 0 HB2 LEU A 34 -10.541 3.423 -1.487 1.00 63.11 H new ATOM 0 HB3 LEU A 34 -9.917 4.940 -2.102 1.00 63.11 H new ATOM 0 HG LEU A 34 -12.179 4.638 -0.078 1.00 23.50 H new ATOM 0 HD11 LEU A 34 -10.574 5.619 1.550 1.00 70.41 H new ATOM 0 HD12 LEU A 34 -10.000 4.067 0.895 1.00 70.41 H new ATOM 0 HD13 LEU A 34 -9.308 5.594 0.299 1.00 70.41 H new ATOM 0 HD21 LEU A 34 -12.075 7.089 0.213 1.00 32.32 H new ATOM 0 HD22 LEU A 34 -10.918 7.191 -1.135 1.00 32.32 H new ATOM 0 HD23 LEU A 34 -12.578 6.621 -1.430 1.00 32.32 H new ATOM 528 N SER A 35 -10.316 3.985 -4.820 1.00 31.13 N ATOM 529 CA SER A 35 -9.600 3.172 -5.840 1.00 70.12 C ATOM 530 C SER A 35 -8.737 2.072 -5.178 1.00 63.01 C ATOM 531 O SER A 35 -8.300 2.230 -4.036 1.00 3.51 O ATOM 532 CB SER A 35 -8.718 4.077 -6.734 1.00 10.35 C ATOM 533 OG SER A 35 -9.501 5.018 -7.457 1.00 54.02 O ATOM 0 H SER A 35 -9.988 4.948 -4.752 1.00 31.13 H new ATOM 0 HA SER A 35 -10.351 2.684 -6.462 1.00 70.12 H new ATOM 0 HB2 SER A 35 -7.992 4.605 -6.115 1.00 10.35 H new ATOM 0 HB3 SER A 35 -8.152 3.460 -7.432 1.00 10.35 H new ATOM 0 HG SER A 35 -8.915 5.575 -8.010 1.00 54.02 H new ATOM 539 N VAL A 36 -8.490 0.968 -5.912 1.00 32.43 N ATOM 540 CA VAL A 36 -7.678 -0.183 -5.420 1.00 41.43 C ATOM 541 C VAL A 36 -6.265 0.262 -4.956 1.00 12.23 C ATOM 542 O VAL A 36 -5.795 -0.155 -3.898 1.00 23.33 O ATOM 543 CB VAL A 36 -7.536 -1.300 -6.521 1.00 61.30 C ATOM 544 CG1 VAL A 36 -6.725 -2.527 -6.013 1.00 42.12 C ATOM 545 CG2 VAL A 36 -8.924 -1.723 -7.046 1.00 13.44 C ATOM 0 H VAL A 36 -8.843 0.841 -6.861 1.00 32.43 H new ATOM 0 HA VAL A 36 -8.213 -0.592 -4.563 1.00 41.43 H new ATOM 0 HB VAL A 36 -6.970 -0.873 -7.349 1.00 61.30 H new ATOM 0 HG11 VAL A 36 -6.654 -3.270 -6.807 1.00 42.12 H new ATOM 0 HG12 VAL A 36 -5.724 -2.207 -5.725 1.00 42.12 H new ATOM 0 HG13 VAL A 36 -7.229 -2.964 -5.151 1.00 42.12 H new ATOM 0 HG21 VAL A 36 -8.806 -2.495 -7.806 1.00 13.44 H new ATOM 0 HG22 VAL A 36 -9.521 -2.113 -6.222 1.00 13.44 H new ATOM 0 HG23 VAL A 36 -9.427 -0.860 -7.482 1.00 13.44 H new ATOM 555 N GLU A 37 -5.616 1.118 -5.774 1.00 3.53 N ATOM 556 CA GLU A 37 -4.282 1.714 -5.468 1.00 53.12 C ATOM 557 C GLU A 37 -4.312 2.555 -4.164 1.00 11.24 C ATOM 558 O GLU A 37 -3.397 2.463 -3.336 1.00 22.30 O ATOM 559 CB GLU A 37 -3.809 2.606 -6.656 1.00 0.22 C ATOM 560 CG GLU A 37 -3.757 1.888 -8.015 1.00 42.25 C ATOM 561 CD GLU A 37 -3.274 2.791 -9.171 1.00 34.04 C ATOM 562 OE1 GLU A 37 -4.018 3.719 -9.558 1.00 0.05 O ATOM 563 OE2 GLU A 37 -2.160 2.565 -9.705 1.00 54.00 O ATOM 0 H GLU A 37 -5.997 1.421 -6.670 1.00 3.53 H new ATOM 0 HA GLU A 37 -3.581 0.892 -5.322 1.00 53.12 H new ATOM 0 HB2 GLU A 37 -4.477 3.463 -6.738 1.00 0.22 H new ATOM 0 HB3 GLU A 37 -2.817 2.996 -6.428 1.00 0.22 H new ATOM 0 HG2 GLU A 37 -3.094 1.026 -7.936 1.00 42.25 H new ATOM 0 HG3 GLU A 37 -4.750 1.506 -8.253 1.00 42.25 H new ATOM 570 N SER A 38 -5.387 3.357 -4.000 1.00 50.33 N ATOM 571 CA SER A 38 -5.599 4.217 -2.801 1.00 44.03 C ATOM 572 C SER A 38 -5.791 3.368 -1.527 1.00 22.14 C ATOM 573 O SER A 38 -5.230 3.676 -0.472 1.00 41.05 O ATOM 574 CB SER A 38 -6.827 5.141 -3.006 1.00 54.34 C ATOM 575 OG SER A 38 -7.059 5.979 -1.873 1.00 1.31 O ATOM 0 H SER A 38 -6.134 3.431 -4.690 1.00 50.33 H new ATOM 0 HA SER A 38 -4.706 4.829 -2.673 1.00 44.03 H new ATOM 0 HB2 SER A 38 -6.672 5.760 -3.890 1.00 54.34 H new ATOM 0 HB3 SER A 38 -7.712 4.533 -3.195 1.00 54.34 H new ATOM 0 HG SER A 38 -7.840 6.547 -2.041 1.00 1.31 H new ATOM 581 N THR A 39 -6.581 2.286 -1.653 1.00 11.45 N ATOM 582 CA THR A 39 -6.895 1.361 -0.540 1.00 13.33 C ATOM 583 C THR A 39 -5.668 0.494 -0.148 1.00 5.45 C ATOM 584 O THR A 39 -5.444 0.254 1.027 1.00 54.25 O ATOM 585 CB THR A 39 -8.115 0.448 -0.904 1.00 31.42 C ATOM 586 OG1 THR A 39 -9.242 1.270 -1.250 1.00 23.33 O ATOM 587 CG2 THR A 39 -8.527 -0.507 0.241 1.00 45.24 C ATOM 0 H THR A 39 -7.024 2.024 -2.534 1.00 11.45 H new ATOM 0 HA THR A 39 -7.159 1.971 0.324 1.00 13.33 H new ATOM 0 HB THR A 39 -7.802 -0.170 -1.746 1.00 31.42 H new ATOM 0 HG1 THR A 39 -9.092 1.678 -2.128 1.00 23.33 H new ATOM 0 HG21 THR A 39 -9.377 -1.111 -0.077 1.00 45.24 H new ATOM 0 HG22 THR A 39 -7.690 -1.160 0.489 1.00 45.24 H new ATOM 0 HG23 THR A 39 -8.804 0.076 1.119 1.00 45.24 H new ATOM 595 N ALA A 40 -4.869 0.058 -1.145 1.00 35.41 N ATOM 596 CA ALA A 40 -3.640 -0.766 -0.925 1.00 65.11 C ATOM 597 C ALA A 40 -2.561 0.022 -0.145 1.00 4.41 C ATOM 598 O ALA A 40 -1.935 -0.487 0.791 1.00 75.13 O ATOM 599 CB ALA A 40 -3.075 -1.229 -2.281 1.00 32.34 C ATOM 0 H ALA A 40 -5.049 0.262 -2.128 1.00 35.41 H new ATOM 0 HA ALA A 40 -3.917 -1.634 -0.327 1.00 65.11 H new ATOM 0 HB1 ALA A 40 -2.180 -1.829 -2.116 1.00 32.34 H new ATOM 0 HB2 ALA A 40 -3.823 -1.828 -2.801 1.00 32.34 H new ATOM 0 HB3 ALA A 40 -2.822 -0.358 -2.886 1.00 32.34 H new ATOM 605 N LEU A 41 -2.374 1.277 -0.572 1.00 4.41 N ATOM 606 CA LEU A 41 -1.480 2.258 0.069 1.00 43.12 C ATOM 607 C LEU A 41 -1.987 2.597 1.506 1.00 24.55 C ATOM 608 O LEU A 41 -1.188 2.749 2.439 1.00 61.33 O ATOM 609 CB LEU A 41 -1.384 3.491 -0.908 1.00 51.24 C ATOM 610 CG LEU A 41 -0.687 4.824 -0.458 1.00 53.14 C ATOM 611 CD1 LEU A 41 -1.650 5.722 0.332 1.00 32.11 C ATOM 612 CD2 LEU A 41 0.630 4.576 0.312 1.00 42.13 C ATOM 0 H LEU A 41 -2.850 1.651 -1.393 1.00 4.41 H new ATOM 0 HA LEU A 41 -0.473 1.872 0.224 1.00 43.12 H new ATOM 0 HB2 LEU A 41 -0.869 3.148 -1.806 1.00 51.24 H new ATOM 0 HB3 LEU A 41 -2.402 3.746 -1.202 1.00 51.24 H new ATOM 0 HG LEU A 41 -0.412 5.357 -1.369 1.00 53.14 H new ATOM 0 HD11 LEU A 41 -1.135 6.636 0.628 1.00 32.11 H new ATOM 0 HD12 LEU A 41 -2.507 5.974 -0.292 1.00 32.11 H new ATOM 0 HD13 LEU A 41 -1.992 5.194 1.222 1.00 32.11 H new ATOM 0 HD21 LEU A 41 1.069 5.531 0.599 1.00 42.13 H new ATOM 0 HD22 LEU A 41 0.423 3.988 1.207 1.00 42.13 H new ATOM 0 HD23 LEU A 41 1.328 4.033 -0.326 1.00 42.13 H new ATOM 624 N ALA A 42 -3.323 2.669 1.667 1.00 72.43 N ATOM 625 CA ALA A 42 -3.974 2.952 2.970 1.00 71.41 C ATOM 626 C ALA A 42 -3.854 1.758 3.968 1.00 61.13 C ATOM 627 O ALA A 42 -3.697 1.967 5.173 1.00 73.10 O ATOM 628 CB ALA A 42 -5.445 3.337 2.742 1.00 43.44 C ATOM 0 H ALA A 42 -3.984 2.534 0.902 1.00 72.43 H new ATOM 0 HA ALA A 42 -3.450 3.790 3.430 1.00 71.41 H new ATOM 0 HB1 ALA A 42 -5.920 3.544 3.701 1.00 43.44 H new ATOM 0 HB2 ALA A 42 -5.495 4.226 2.113 1.00 43.44 H new ATOM 0 HB3 ALA A 42 -5.964 2.515 2.250 1.00 43.44 H new ATOM 634 N VAL A 43 -3.930 0.506 3.458 1.00 41.22 N ATOM 635 CA VAL A 43 -3.682 -0.721 4.270 1.00 52.13 C ATOM 636 C VAL A 43 -2.192 -0.790 4.709 1.00 14.53 C ATOM 637 O VAL A 43 -1.883 -1.198 5.836 1.00 14.51 O ATOM 638 CB VAL A 43 -4.088 -2.040 3.489 1.00 12.10 C ATOM 639 CG1 VAL A 43 -3.720 -3.322 4.282 1.00 14.34 C ATOM 640 CG2 VAL A 43 -5.597 -2.047 3.140 1.00 52.42 C ATOM 0 H VAL A 43 -4.162 0.313 2.484 1.00 41.22 H new ATOM 0 HA VAL A 43 -4.312 -0.658 5.157 1.00 52.13 H new ATOM 0 HB VAL A 43 -3.515 -2.041 2.562 1.00 12.10 H new ATOM 0 HG11 VAL A 43 -4.016 -4.201 3.710 1.00 14.34 H new ATOM 0 HG12 VAL A 43 -2.644 -3.347 4.455 1.00 14.34 H new ATOM 0 HG13 VAL A 43 -4.241 -3.320 5.239 1.00 14.34 H new ATOM 0 HG21 VAL A 43 -5.842 -2.964 2.605 1.00 52.42 H new ATOM 0 HG22 VAL A 43 -6.183 -1.994 4.058 1.00 52.42 H new ATOM 0 HG23 VAL A 43 -5.829 -1.187 2.511 1.00 52.42 H new ATOM 650 N GLY A 44 -1.288 -0.349 3.811 1.00 61.23 N ATOM 651 CA GLY A 44 0.140 -0.199 4.137 1.00 63.12 C ATOM 652 C GLY A 44 0.392 0.852 5.231 1.00 51.24 C ATOM 653 O GLY A 44 1.330 0.729 6.028 1.00 74.51 O ATOM 0 H GLY A 44 -1.525 -0.091 2.853 1.00 61.23 H new ATOM 0 HA2 GLY A 44 0.537 -1.160 4.464 1.00 63.12 H new ATOM 0 HA3 GLY A 44 0.686 0.082 3.237 1.00 63.12 H new ATOM 657 N TRP A 45 -0.468 1.891 5.260 1.00 30.31 N ATOM 658 CA TRP A 45 -0.460 2.924 6.320 1.00 41.40 C ATOM 659 C TRP A 45 -1.046 2.378 7.657 1.00 51.22 C ATOM 660 O TRP A 45 -0.706 2.867 8.723 1.00 0.25 O ATOM 661 CB TRP A 45 -1.241 4.183 5.853 1.00 34.02 C ATOM 662 CG TRP A 45 -1.204 5.347 6.831 1.00 22.53 C ATOM 663 CD1 TRP A 45 -2.207 5.774 7.659 1.00 54.45 C ATOM 664 CD2 TRP A 45 -0.087 6.206 7.097 1.00 42.31 C ATOM 665 NE1 TRP A 45 -1.796 6.863 8.381 1.00 61.20 N ATOM 666 CE2 TRP A 45 -0.502 7.147 8.058 1.00 21.23 C ATOM 667 CE3 TRP A 45 1.214 6.283 6.601 1.00 1.01 C ATOM 668 CZ2 TRP A 45 0.339 8.147 8.534 1.00 40.54 C ATOM 669 CZ3 TRP A 45 2.047 7.273 7.079 1.00 70.32 C ATOM 670 CH2 TRP A 45 1.609 8.196 8.033 1.00 72.24 C ATOM 0 H TRP A 45 -1.187 2.039 4.551 1.00 30.31 H new ATOM 0 HA TRP A 45 0.577 3.203 6.506 1.00 41.40 H new ATOM 0 HB2 TRP A 45 -0.833 4.514 4.898 1.00 34.02 H new ATOM 0 HB3 TRP A 45 -2.280 3.906 5.677 1.00 34.02 H new ATOM 0 HD1 TRP A 45 -3.183 5.317 7.732 1.00 54.45 H new ATOM 0 HE1 TRP A 45 -2.366 7.378 9.052 1.00 61.20 H new ATOM 0 HE3 TRP A 45 1.562 5.581 5.857 1.00 1.01 H new ATOM 0 HZ2 TRP A 45 0.001 8.859 9.273 1.00 40.54 H new ATOM 0 HZ3 TRP A 45 3.059 7.336 6.708 1.00 70.32 H new ATOM 0 HH2 TRP A 45 2.287 8.962 8.380 1.00 72.24 H new ATOM 681 N LEU A 46 -1.955 1.388 7.595 1.00 64.34 N ATOM 682 CA LEU A 46 -2.460 0.684 8.812 1.00 41.45 C ATOM 683 C LEU A 46 -1.389 -0.264 9.408 1.00 31.03 C ATOM 684 O LEU A 46 -1.299 -0.432 10.632 1.00 23.03 O ATOM 685 CB LEU A 46 -3.767 -0.085 8.485 1.00 0.42 C ATOM 686 CG LEU A 46 -4.979 0.818 8.112 1.00 34.22 C ATOM 687 CD1 LEU A 46 -6.220 -0.021 7.737 1.00 22.53 C ATOM 688 CD2 LEU A 46 -5.278 1.825 9.252 1.00 74.21 C ATOM 0 H LEU A 46 -2.361 1.050 6.722 1.00 64.34 H new ATOM 0 HA LEU A 46 -2.681 1.436 9.569 1.00 41.45 H new ATOM 0 HB2 LEU A 46 -3.573 -0.768 7.658 1.00 0.42 H new ATOM 0 HB3 LEU A 46 -4.038 -0.696 9.346 1.00 0.42 H new ATOM 0 HG LEU A 46 -4.715 1.392 7.224 1.00 34.22 H new ATOM 0 HD11 LEU A 46 -7.045 0.644 7.483 1.00 22.53 H new ATOM 0 HD12 LEU A 46 -5.986 -0.653 6.880 1.00 22.53 H new ATOM 0 HD13 LEU A 46 -6.505 -0.647 8.583 1.00 22.53 H new ATOM 0 HD21 LEU A 46 -6.128 2.448 8.974 1.00 74.21 H new ATOM 0 HD22 LEU A 46 -5.511 1.280 10.167 1.00 74.21 H new ATOM 0 HD23 LEU A 46 -4.405 2.456 9.418 1.00 74.21 H new ATOM 700 N ALA A 47 -0.582 -0.873 8.524 1.00 62.21 N ATOM 701 CA ALA A 47 0.564 -1.736 8.901 1.00 64.31 C ATOM 702 C ALA A 47 1.597 -1.016 9.820 1.00 42.15 C ATOM 703 O ALA A 47 2.284 -1.676 10.612 1.00 2.20 O ATOM 704 CB ALA A 47 1.249 -2.282 7.634 1.00 23.04 C ATOM 0 H ALA A 47 -0.703 -0.783 7.515 1.00 62.21 H new ATOM 0 HA ALA A 47 0.162 -2.563 9.486 1.00 64.31 H new ATOM 0 HB1 ALA A 47 2.090 -2.915 7.919 1.00 23.04 H new ATOM 0 HB2 ALA A 47 0.533 -2.867 7.057 1.00 23.04 H new ATOM 0 HB3 ALA A 47 1.610 -1.451 7.028 1.00 23.04 H new ATOM 710 N ARG A 48 1.676 0.341 9.721 1.00 2.05 N ATOM 711 CA ARG A 48 2.688 1.165 10.439 1.00 31.42 C ATOM 712 C ARG A 48 2.670 0.959 11.986 1.00 11.14 C ATOM 713 O ARG A 48 3.718 0.985 12.639 1.00 71.22 O ATOM 714 CB ARG A 48 2.506 2.685 10.109 1.00 12.43 C ATOM 715 CG ARG A 48 1.328 3.388 10.815 1.00 5.34 C ATOM 716 CD ARG A 48 1.228 4.893 10.510 1.00 23.44 C ATOM 717 NE ARG A 48 2.382 5.656 11.029 1.00 60.52 N ATOM 718 CZ ARG A 48 2.341 6.897 11.470 1.00 2.05 C ATOM 719 NH1 ARG A 48 1.217 7.542 11.571 1.00 33.43 N ATOM 720 NH2 ARG A 48 3.425 7.480 11.845 1.00 2.35 N ATOM 0 H ARG A 48 1.041 0.892 9.143 1.00 2.05 H new ATOM 0 HA ARG A 48 3.658 0.822 10.080 1.00 31.42 H new ATOM 0 HB2 ARG A 48 3.426 3.207 10.371 1.00 12.43 H new ATOM 0 HB3 ARG A 48 2.375 2.791 9.032 1.00 12.43 H new ATOM 0 HG2 ARG A 48 0.398 2.904 10.517 1.00 5.34 H new ATOM 0 HG3 ARG A 48 1.428 3.251 11.892 1.00 5.34 H new ATOM 0 HD2 ARG A 48 1.157 5.037 9.432 1.00 23.44 H new ATOM 0 HD3 ARG A 48 0.310 5.288 10.946 1.00 23.44 H new ATOM 0 HE ARG A 48 3.285 5.183 11.047 1.00 60.52 H new ATOM 0 HH11 ARG A 48 0.343 7.088 11.306 1.00 33.43 H new ATOM 0 HH12 ARG A 48 1.209 8.502 11.915 1.00 33.43 H new ATOM 0 HH21 ARG A 48 4.314 6.982 11.801 1.00 2.35 H new ATOM 0 HH22 ARG A 48 3.396 8.441 12.187 1.00 2.35 H new ATOM 734 N GLU A 49 1.461 0.774 12.551 1.00 62.45 N ATOM 735 CA GLU A 49 1.242 0.586 14.010 1.00 4.54 C ATOM 736 C GLU A 49 0.755 -0.847 14.323 1.00 54.43 C ATOM 737 O GLU A 49 0.256 -1.109 15.427 1.00 14.00 O ATOM 738 CB GLU A 49 0.212 1.637 14.507 1.00 41.14 C ATOM 739 CG GLU A 49 0.688 3.092 14.376 1.00 64.01 C ATOM 740 CD GLU A 49 -0.399 4.116 14.713 1.00 23.20 C ATOM 741 OE1 GLU A 49 -0.652 4.353 15.916 1.00 0.31 O ATOM 742 OE2 GLU A 49 -1.006 4.688 13.780 1.00 52.12 O ATOM 0 H GLU A 49 0.598 0.750 12.008 1.00 62.45 H new ATOM 0 HA GLU A 49 2.188 0.727 14.532 1.00 4.54 H new ATOM 0 HB2 GLU A 49 -0.714 1.517 13.945 1.00 41.14 H new ATOM 0 HB3 GLU A 49 -0.022 1.435 15.552 1.00 41.14 H new ATOM 0 HG2 GLU A 49 1.542 3.249 15.035 1.00 64.01 H new ATOM 0 HG3 GLU A 49 1.036 3.263 13.357 1.00 64.01 H new ATOM 749 N ASN A 50 0.923 -1.760 13.337 1.00 4.11 N ATOM 750 CA ASN A 50 0.526 -3.182 13.437 1.00 4.01 C ATOM 751 C ASN A 50 -1.007 -3.292 13.681 1.00 10.32 C ATOM 752 O ASN A 50 -1.453 -3.999 14.576 1.00 30.34 O ATOM 753 CB ASN A 50 1.362 -3.887 14.564 1.00 11.43 C ATOM 754 CG ASN A 50 1.491 -5.417 14.461 1.00 11.32 C ATOM 755 OD1 ASN A 50 2.462 -5.988 14.952 1.00 54.20 O ATOM 756 ND2 ASN A 50 0.550 -6.102 13.840 1.00 44.44 N ATOM 0 H ASN A 50 1.344 -1.525 12.438 1.00 4.11 H new ATOM 0 HA ASN A 50 0.740 -3.695 12.499 1.00 4.01 H new ATOM 0 HB2 ASN A 50 2.364 -3.458 14.565 1.00 11.43 H new ATOM 0 HB3 ASN A 50 0.911 -3.646 15.526 1.00 11.43 H new ATOM 0 HD21 ASN A 50 0.624 -7.116 13.764 1.00 44.44 H new ATOM 0 HD22 ASN A 50 -0.251 -5.617 13.436 1.00 44.44 H new ATOM 763 N LYS A 51 -1.802 -2.549 12.885 1.00 22.01 N ATOM 764 CA LYS A 51 -3.278 -2.500 13.035 1.00 64.53 C ATOM 765 C LYS A 51 -4.000 -3.621 12.238 1.00 12.14 C ATOM 766 O LYS A 51 -5.186 -3.890 12.474 1.00 34.44 O ATOM 767 CB LYS A 51 -3.785 -1.097 12.607 1.00 24.13 C ATOM 768 CG LYS A 51 -3.145 0.063 13.408 1.00 52.12 C ATOM 769 CD LYS A 51 -3.658 1.465 12.990 1.00 3.34 C ATOM 770 CE LYS A 51 -5.162 1.660 13.266 1.00 34.13 C ATOM 771 NZ LYS A 51 -5.514 1.440 14.697 1.00 11.02 N ATOM 0 H LYS A 51 -1.447 -1.969 12.125 1.00 22.01 H new ATOM 0 HA LYS A 51 -3.517 -2.676 14.084 1.00 64.53 H new ATOM 0 HB2 LYS A 51 -3.578 -0.953 11.547 1.00 24.13 H new ATOM 0 HB3 LYS A 51 -4.867 -1.058 12.729 1.00 24.13 H new ATOM 0 HG2 LYS A 51 -3.345 -0.086 14.469 1.00 52.12 H new ATOM 0 HG3 LYS A 51 -2.063 0.028 13.279 1.00 52.12 H new ATOM 0 HD2 LYS A 51 -3.093 2.228 13.526 1.00 3.34 H new ATOM 0 HD3 LYS A 51 -3.466 1.615 11.927 1.00 3.34 H new ATOM 0 HE2 LYS A 51 -5.453 2.669 12.975 1.00 34.13 H new ATOM 0 HE3 LYS A 51 -5.734 0.971 12.645 1.00 34.13 H new ATOM 0 HZ1 LYS A 51 -6.499 1.729 14.861 1.00 11.02 H new ATOM 0 HZ2 LYS A 51 -5.406 0.432 14.930 1.00 11.02 H new ATOM 0 HZ3 LYS A 51 -4.883 2.005 15.301 1.00 11.02 H new ATOM 785 N VAL A 52 -3.271 -4.273 11.304 1.00 70.33 N ATOM 786 CA VAL A 52 -3.821 -5.330 10.408 1.00 12.11 C ATOM 787 C VAL A 52 -2.892 -6.582 10.345 1.00 11.05 C ATOM 788 O VAL A 52 -1.672 -6.478 10.519 1.00 71.11 O ATOM 789 CB VAL A 52 -4.068 -4.773 8.943 1.00 25.30 C ATOM 790 CG1 VAL A 52 -5.208 -3.719 8.920 1.00 54.43 C ATOM 791 CG2 VAL A 52 -2.761 -4.194 8.326 1.00 33.21 C ATOM 0 H VAL A 52 -2.281 -4.084 11.146 1.00 70.33 H new ATOM 0 HA VAL A 52 -4.776 -5.634 10.836 1.00 12.11 H new ATOM 0 HB VAL A 52 -4.382 -5.615 8.326 1.00 25.30 H new ATOM 0 HG11 VAL A 52 -5.350 -3.359 7.901 1.00 54.43 H new ATOM 0 HG12 VAL A 52 -6.132 -4.175 9.276 1.00 54.43 H new ATOM 0 HG13 VAL A 52 -4.943 -2.883 9.567 1.00 54.43 H new ATOM 0 HG21 VAL A 52 -2.966 -3.821 7.322 1.00 33.21 H new ATOM 0 HG22 VAL A 52 -2.395 -3.377 8.949 1.00 33.21 H new ATOM 0 HG23 VAL A 52 -2.005 -4.977 8.274 1.00 33.21 H new ATOM 801 N VAL A 53 -3.512 -7.761 10.113 1.00 60.20 N ATOM 802 CA VAL A 53 -2.815 -9.045 9.840 1.00 33.30 C ATOM 803 C VAL A 53 -2.884 -9.337 8.316 1.00 1.42 C ATOM 804 O VAL A 53 -3.978 -9.548 7.781 1.00 0.34 O ATOM 805 CB VAL A 53 -3.493 -10.247 10.621 1.00 13.25 C ATOM 806 CG1 VAL A 53 -2.746 -11.590 10.389 1.00 1.11 C ATOM 807 CG2 VAL A 53 -3.626 -9.942 12.127 1.00 2.25 C ATOM 0 H VAL A 53 -4.528 -7.852 10.109 1.00 60.20 H new ATOM 0 HA VAL A 53 -1.782 -8.955 10.175 1.00 33.30 H new ATOM 0 HB VAL A 53 -4.497 -10.359 10.212 1.00 13.25 H new ATOM 0 HG11 VAL A 53 -3.246 -12.385 10.943 1.00 1.11 H new ATOM 0 HG12 VAL A 53 -2.751 -11.830 9.326 1.00 1.11 H new ATOM 0 HG13 VAL A 53 -1.717 -11.498 10.735 1.00 1.11 H new ATOM 0 HG21 VAL A 53 -4.095 -10.788 12.630 1.00 2.25 H new ATOM 0 HG22 VAL A 53 -2.637 -9.770 12.552 1.00 2.25 H new ATOM 0 HG23 VAL A 53 -4.240 -9.052 12.265 1.00 2.25 H new ATOM 817 N ILE A 54 -1.735 -9.322 7.616 1.00 62.04 N ATOM 818 CA ILE A 54 -1.688 -9.552 6.148 1.00 72.13 C ATOM 819 C ILE A 54 -1.261 -11.010 5.827 1.00 63.01 C ATOM 820 O ILE A 54 -0.103 -11.391 6.028 1.00 4.13 O ATOM 821 CB ILE A 54 -0.724 -8.517 5.440 1.00 73.20 C ATOM 822 CG1 ILE A 54 -1.193 -7.049 5.718 1.00 3.32 C ATOM 823 CG2 ILE A 54 -0.596 -8.784 3.912 1.00 31.13 C ATOM 824 CD1 ILE A 54 -2.605 -6.728 5.248 1.00 72.44 C ATOM 0 H ILE A 54 -0.822 -9.153 8.038 1.00 62.04 H new ATOM 0 HA ILE A 54 -2.693 -9.399 5.755 1.00 72.13 H new ATOM 0 HB ILE A 54 0.269 -8.651 5.868 1.00 73.20 H new ATOM 0 HG12 ILE A 54 -1.130 -6.860 6.790 1.00 3.32 H new ATOM 0 HG13 ILE A 54 -0.499 -6.363 5.232 1.00 3.32 H new ATOM 0 HG21 ILE A 54 0.076 -8.049 3.469 1.00 31.13 H new ATOM 0 HG22 ILE A 54 -0.196 -9.785 3.750 1.00 31.13 H new ATOM 0 HG23 ILE A 54 -1.578 -8.706 3.445 1.00 31.13 H new ATOM 0 HD11 ILE A 54 -2.840 -5.690 5.484 1.00 72.44 H new ATOM 0 HD12 ILE A 54 -2.673 -6.880 4.171 1.00 72.44 H new ATOM 0 HD13 ILE A 54 -3.314 -7.384 5.752 1.00 72.44 H new ATOM 836 N GLU A 55 -2.223 -11.812 5.339 1.00 70.21 N ATOM 837 CA GLU A 55 -2.010 -13.222 4.938 1.00 14.01 C ATOM 838 C GLU A 55 -1.980 -13.344 3.400 1.00 0.33 C ATOM 839 O GLU A 55 -2.890 -12.879 2.728 1.00 71.23 O ATOM 840 CB GLU A 55 -3.154 -14.096 5.511 1.00 40.03 C ATOM 841 CG GLU A 55 -3.191 -14.195 7.048 1.00 72.02 C ATOM 842 CD GLU A 55 -1.948 -14.878 7.642 1.00 4.21 C ATOM 843 OE1 GLU A 55 -1.875 -16.130 7.623 1.00 61.40 O ATOM 844 OE2 GLU A 55 -1.039 -14.179 8.148 1.00 15.45 O ATOM 0 H GLU A 55 -3.185 -11.499 5.208 1.00 70.21 H new ATOM 0 HA GLU A 55 -1.053 -13.564 5.333 1.00 14.01 H new ATOM 0 HB2 GLU A 55 -4.106 -13.694 5.165 1.00 40.03 H new ATOM 0 HB3 GLU A 55 -3.064 -15.101 5.099 1.00 40.03 H new ATOM 0 HG2 GLU A 55 -3.282 -13.193 7.468 1.00 72.02 H new ATOM 0 HG3 GLU A 55 -4.080 -14.749 7.348 1.00 72.02 H new ATOM 851 N ARG A 56 -0.937 -13.970 2.841 1.00 21.04 N ATOM 852 CA ARG A 56 -0.774 -14.104 1.373 1.00 3.35 C ATOM 853 C ARG A 56 -0.885 -15.579 0.922 1.00 45.11 C ATOM 854 O ARG A 56 0.023 -16.381 1.156 1.00 42.34 O ATOM 855 CB ARG A 56 0.579 -13.478 0.937 1.00 71.25 C ATOM 856 CG ARG A 56 0.665 -11.952 1.189 1.00 60.12 C ATOM 857 CD ARG A 56 2.024 -11.347 0.792 1.00 44.32 C ATOM 858 NE ARG A 56 2.016 -9.871 0.908 1.00 32.31 N ATOM 859 CZ ARG A 56 1.941 -9.019 -0.100 1.00 14.20 C ATOM 860 NH1 ARG A 56 1.859 -9.445 -1.326 1.00 60.44 N ATOM 861 NH2 ARG A 56 1.934 -7.744 0.132 1.00 40.33 N ATOM 0 H ARG A 56 -0.184 -14.397 3.381 1.00 21.04 H new ATOM 0 HA ARG A 56 -1.584 -13.563 0.883 1.00 3.35 H new ATOM 0 HB2 ARG A 56 1.389 -13.973 1.474 1.00 71.25 H new ATOM 0 HB3 ARG A 56 0.735 -13.672 -0.124 1.00 71.25 H new ATOM 0 HG2 ARG A 56 -0.125 -11.453 0.628 1.00 60.12 H new ATOM 0 HG3 ARG A 56 0.481 -11.754 2.245 1.00 60.12 H new ATOM 0 HD2 ARG A 56 2.807 -11.759 1.429 1.00 44.32 H new ATOM 0 HD3 ARG A 56 2.265 -11.631 -0.232 1.00 44.32 H new ATOM 0 HE ARG A 56 2.073 -9.477 1.847 1.00 32.31 H new ATOM 0 HH11 ARG A 56 1.852 -10.447 -1.518 1.00 60.44 H new ATOM 0 HH12 ARG A 56 1.802 -8.777 -2.095 1.00 60.44 H new ATOM 0 HH21 ARG A 56 1.986 -7.400 1.091 1.00 40.33 H new ATOM 0 HH22 ARG A 56 1.876 -7.085 -0.644 1.00 40.33 H new ATOM 875 N LYS A 57 -2.032 -15.924 0.301 1.00 13.32 N ATOM 876 CA LYS A 57 -2.292 -17.273 -0.272 1.00 61.43 C ATOM 877 C LYS A 57 -2.372 -17.182 -1.813 1.00 4.51 C ATOM 878 O LYS A 57 -3.248 -16.493 -2.337 1.00 22.33 O ATOM 879 CB LYS A 57 -3.616 -17.891 0.286 1.00 30.14 C ATOM 880 CG LYS A 57 -3.514 -18.561 1.675 1.00 24.11 C ATOM 881 CD LYS A 57 -3.227 -17.583 2.830 1.00 43.14 C ATOM 882 CE LYS A 57 -3.257 -18.279 4.198 1.00 15.24 C ATOM 883 NZ LYS A 57 -3.013 -17.328 5.304 1.00 43.23 N ATOM 0 H LYS A 57 -2.811 -15.276 0.179 1.00 13.32 H new ATOM 0 HA LYS A 57 -1.467 -17.923 0.019 1.00 61.43 H new ATOM 0 HB2 LYS A 57 -4.368 -17.104 0.338 1.00 30.14 H new ATOM 0 HB3 LYS A 57 -3.978 -18.631 -0.428 1.00 30.14 H new ATOM 0 HG2 LYS A 57 -4.447 -19.086 1.882 1.00 24.11 H new ATOM 0 HG3 LYS A 57 -2.725 -19.313 1.646 1.00 24.11 H new ATOM 0 HD2 LYS A 57 -2.251 -17.122 2.680 1.00 43.14 H new ATOM 0 HD3 LYS A 57 -3.964 -16.780 2.816 1.00 43.14 H new ATOM 0 HE2 LYS A 57 -4.225 -18.761 4.340 1.00 15.24 H new ATOM 0 HE3 LYS A 57 -2.503 -19.066 4.222 1.00 15.24 H new ATOM 0 HZ1 LYS A 57 -2.839 -17.855 6.183 1.00 43.23 H new ATOM 0 HZ2 LYS A 57 -2.183 -16.742 5.081 1.00 43.23 H new ATOM 0 HZ3 LYS A 57 -3.845 -16.717 5.426 1.00 43.23 H new ATOM 897 N ASN A 58 -1.467 -17.904 -2.518 1.00 14.30 N ATOM 898 CA ASN A 58 -1.406 -17.945 -4.011 1.00 0.13 C ATOM 899 C ASN A 58 -1.213 -16.530 -4.633 1.00 2.22 C ATOM 900 O ASN A 58 -1.694 -16.247 -5.733 1.00 4.54 O ATOM 901 CB ASN A 58 -2.679 -18.639 -4.586 1.00 21.53 C ATOM 902 CG ASN A 58 -2.907 -20.040 -4.009 1.00 72.01 C ATOM 903 OD1 ASN A 58 -2.425 -21.034 -4.540 1.00 1.31 O ATOM 904 ND2 ASN A 58 -3.638 -20.124 -2.911 1.00 72.23 N ATOM 0 H ASN A 58 -0.753 -18.479 -2.071 1.00 14.30 H new ATOM 0 HA ASN A 58 -0.530 -18.532 -4.287 1.00 0.13 H new ATOM 0 HB2 ASN A 58 -3.551 -18.019 -4.376 1.00 21.53 H new ATOM 0 HB3 ASN A 58 -2.590 -18.708 -5.670 1.00 21.53 H new ATOM 0 HD21 ASN A 58 -3.814 -21.033 -2.484 1.00 72.23 H new ATOM 0 HD22 ASN A 58 -4.026 -19.279 -2.491 1.00 72.23 H new ATOM 911 N GLY A 59 -0.488 -15.649 -3.918 1.00 24.23 N ATOM 912 CA GLY A 59 -0.270 -14.258 -4.366 1.00 75.12 C ATOM 913 C GLY A 59 -1.421 -13.291 -4.016 1.00 42.23 C ATOM 914 O GLY A 59 -1.305 -12.081 -4.231 1.00 14.03 O ATOM 0 H GLY A 59 -0.043 -15.874 -3.028 1.00 24.23 H new ATOM 0 HA2 GLY A 59 0.651 -13.885 -3.919 1.00 75.12 H new ATOM 0 HA3 GLY A 59 -0.124 -14.255 -5.446 1.00 75.12 H new ATOM 918 N LEU A 60 -2.533 -13.831 -3.474 1.00 12.55 N ATOM 919 CA LEU A 60 -3.727 -13.040 -3.093 1.00 73.25 C ATOM 920 C LEU A 60 -3.584 -12.522 -1.639 1.00 34.11 C ATOM 921 O LEU A 60 -3.329 -13.305 -0.716 1.00 34.42 O ATOM 922 CB LEU A 60 -5.007 -13.916 -3.234 1.00 72.55 C ATOM 923 CG LEU A 60 -5.243 -14.565 -4.638 1.00 40.41 C ATOM 924 CD1 LEU A 60 -6.492 -15.479 -4.631 1.00 13.33 C ATOM 925 CD2 LEU A 60 -5.325 -13.492 -5.753 1.00 33.01 C ATOM 0 H LEU A 60 -2.630 -14.829 -3.287 1.00 12.55 H new ATOM 0 HA LEU A 60 -3.813 -12.181 -3.759 1.00 73.25 H new ATOM 0 HB2 LEU A 60 -4.962 -14.712 -2.491 1.00 72.55 H new ATOM 0 HB3 LEU A 60 -5.873 -13.301 -2.990 1.00 72.55 H new ATOM 0 HG LEU A 60 -4.380 -15.193 -4.860 1.00 40.41 H new ATOM 0 HD11 LEU A 60 -6.629 -15.915 -5.620 1.00 13.33 H new ATOM 0 HD12 LEU A 60 -6.356 -16.275 -3.899 1.00 13.33 H new ATOM 0 HD13 LEU A 60 -7.372 -14.891 -4.368 1.00 13.33 H new ATOM 0 HD21 LEU A 60 -5.489 -13.978 -6.715 1.00 33.01 H new ATOM 0 HD22 LEU A 60 -6.151 -12.813 -5.544 1.00 33.01 H new ATOM 0 HD23 LEU A 60 -4.392 -12.929 -5.786 1.00 33.01 H new ATOM 937 N ILE A 61 -3.723 -11.194 -1.458 1.00 31.42 N ATOM 938 CA ILE A 61 -3.581 -10.530 -0.145 1.00 24.14 C ATOM 939 C ILE A 61 -4.933 -10.563 0.617 1.00 34.24 C ATOM 940 O ILE A 61 -5.970 -10.142 0.087 1.00 55.22 O ATOM 941 CB ILE A 61 -3.063 -9.027 -0.274 1.00 65.03 C ATOM 942 CG1 ILE A 61 -1.616 -8.946 -0.893 1.00 51.35 C ATOM 943 CG2 ILE A 61 -3.105 -8.296 1.100 1.00 52.34 C ATOM 944 CD1 ILE A 61 -1.498 -9.283 -2.377 1.00 52.13 C ATOM 0 H ILE A 61 -3.937 -10.549 -2.219 1.00 31.42 H new ATOM 0 HA ILE A 61 -2.828 -11.083 0.416 1.00 24.14 H new ATOM 0 HB ILE A 61 -3.743 -8.521 -0.959 1.00 65.03 H new ATOM 0 HG12 ILE A 61 -1.234 -7.937 -0.739 1.00 51.35 H new ATOM 0 HG13 ILE A 61 -0.967 -9.621 -0.336 1.00 51.35 H new ATOM 0 HG21 ILE A 61 -2.746 -7.274 0.979 1.00 52.34 H new ATOM 0 HG22 ILE A 61 -4.129 -8.279 1.472 1.00 52.34 H new ATOM 0 HG23 ILE A 61 -2.469 -8.822 1.812 1.00 52.34 H new ATOM 0 HD11 ILE A 61 -0.457 -9.193 -2.689 1.00 52.13 H new ATOM 0 HD12 ILE A 61 -1.841 -10.304 -2.547 1.00 52.13 H new ATOM 0 HD13 ILE A 61 -2.112 -8.593 -2.957 1.00 52.13 H new ATOM 956 N GLU A 62 -4.894 -11.078 1.855 1.00 41.11 N ATOM 957 CA GLU A 62 -6.040 -11.122 2.782 1.00 72.20 C ATOM 958 C GLU A 62 -5.786 -10.129 3.940 1.00 40.35 C ATOM 959 O GLU A 62 -4.717 -10.158 4.565 1.00 34.13 O ATOM 960 CB GLU A 62 -6.225 -12.551 3.365 1.00 44.51 C ATOM 961 CG GLU A 62 -6.322 -13.701 2.345 1.00 74.14 C ATOM 962 CD GLU A 62 -6.729 -15.034 3.004 1.00 72.31 C ATOM 963 OE1 GLU A 62 -5.860 -15.734 3.569 1.00 3.32 O ATOM 964 OE2 GLU A 62 -7.938 -15.366 2.991 1.00 72.01 O ATOM 0 H GLU A 62 -4.047 -11.485 2.251 1.00 41.11 H new ATOM 0 HA GLU A 62 -6.944 -10.850 2.237 1.00 72.20 H new ATOM 0 HB2 GLU A 62 -5.390 -12.758 4.034 1.00 44.51 H new ATOM 0 HB3 GLU A 62 -7.129 -12.557 3.973 1.00 44.51 H new ATOM 0 HG2 GLU A 62 -7.049 -13.441 1.576 1.00 74.14 H new ATOM 0 HG3 GLU A 62 -5.361 -13.823 1.846 1.00 74.14 H new ATOM 971 N ILE A 63 -6.762 -9.245 4.217 1.00 72.01 N ATOM 972 CA ILE A 63 -6.640 -8.203 5.255 1.00 21.14 C ATOM 973 C ILE A 63 -7.543 -8.586 6.458 1.00 61.31 C ATOM 974 O ILE A 63 -8.782 -8.556 6.372 1.00 41.12 O ATOM 975 CB ILE A 63 -6.996 -6.744 4.724 1.00 21.34 C ATOM 976 CG1 ILE A 63 -6.138 -6.320 3.473 1.00 32.34 C ATOM 977 CG2 ILE A 63 -6.812 -5.690 5.849 1.00 14.52 C ATOM 978 CD1 ILE A 63 -6.477 -7.009 2.166 1.00 71.43 C ATOM 0 H ILE A 63 -7.657 -9.232 3.728 1.00 72.01 H new ATOM 0 HA ILE A 63 -5.595 -8.160 5.563 1.00 21.14 H new ATOM 0 HB ILE A 63 -8.040 -6.782 4.413 1.00 21.34 H new ATOM 0 HG12 ILE A 63 -6.246 -5.245 3.332 1.00 32.34 H new ATOM 0 HG13 ILE A 63 -5.088 -6.508 3.698 1.00 32.34 H new ATOM 0 HG21 ILE A 63 -7.060 -4.701 5.465 1.00 14.52 H new ATOM 0 HG22 ILE A 63 -7.470 -5.931 6.684 1.00 14.52 H new ATOM 0 HG23 ILE A 63 -5.776 -5.698 6.189 1.00 14.52 H new ATOM 0 HD11 ILE A 63 -5.822 -6.637 1.378 1.00 71.43 H new ATOM 0 HD12 ILE A 63 -6.339 -8.085 2.275 1.00 71.43 H new ATOM 0 HD13 ILE A 63 -7.514 -6.801 1.904 1.00 71.43 H new ATOM 990 N TYR A 64 -6.891 -9.016 7.550 1.00 60.33 N ATOM 991 CA TYR A 64 -7.541 -9.344 8.846 1.00 5.41 C ATOM 992 C TYR A 64 -7.222 -8.259 9.906 1.00 25.02 C ATOM 993 O TYR A 64 -6.364 -7.404 9.677 1.00 44.04 O ATOM 994 CB TYR A 64 -7.060 -10.729 9.345 1.00 21.31 C ATOM 995 CG TYR A 64 -7.400 -11.894 8.403 1.00 65.23 C ATOM 996 CD1 TYR A 64 -8.668 -12.473 8.412 1.00 53.53 C ATOM 997 CD2 TYR A 64 -6.466 -12.402 7.499 1.00 2.00 C ATOM 998 CE1 TYR A 64 -8.991 -13.510 7.565 1.00 24.45 C ATOM 999 CE2 TYR A 64 -6.792 -13.440 6.648 1.00 74.41 C ATOM 1000 CZ TYR A 64 -8.055 -13.983 6.683 1.00 45.04 C ATOM 1001 OH TYR A 64 -8.391 -15.001 5.827 1.00 41.14 O ATOM 0 H TYR A 64 -5.880 -9.150 7.566 1.00 60.33 H new ATOM 0 HA TYR A 64 -8.620 -9.374 8.694 1.00 5.41 H new ATOM 0 HB2 TYR A 64 -5.980 -10.696 9.487 1.00 21.31 H new ATOM 0 HB3 TYR A 64 -7.504 -10.925 10.321 1.00 21.31 H new ATOM 0 HD1 TYR A 64 -9.414 -12.100 9.098 1.00 53.53 H new ATOM 0 HD2 TYR A 64 -5.474 -11.977 7.464 1.00 2.00 H new ATOM 0 HE1 TYR A 64 -9.978 -13.948 7.596 1.00 24.45 H new ATOM 0 HE2 TYR A 64 -6.057 -13.824 5.957 1.00 74.41 H new ATOM 0 HH TYR A 64 -9.345 -14.944 5.610 1.00 41.14 H new ATOM 1011 N ASN A 65 -7.945 -8.265 11.050 1.00 4.24 N ATOM 1012 CA ASN A 65 -7.673 -7.315 12.163 1.00 71.31 C ATOM 1013 C ASN A 65 -6.658 -7.913 13.161 1.00 2.23 C ATOM 1014 O ASN A 65 -6.625 -9.135 13.382 1.00 54.23 O ATOM 1015 CB ASN A 65 -8.984 -6.897 12.893 1.00 20.31 C ATOM 1016 CG ASN A 65 -9.677 -8.036 13.645 1.00 15.35 C ATOM 1017 OD1 ASN A 65 -9.356 -8.318 14.792 1.00 20.40 O ATOM 1018 ND2 ASN A 65 -10.645 -8.673 13.030 1.00 50.11 N ATOM 0 H ASN A 65 -8.715 -8.909 11.229 1.00 4.24 H new ATOM 0 HA ASN A 65 -7.237 -6.416 11.727 1.00 71.31 H new ATOM 0 HB2 ASN A 65 -8.754 -6.098 13.598 1.00 20.31 H new ATOM 0 HB3 ASN A 65 -9.678 -6.485 12.161 1.00 20.31 H new ATOM 0 HD21 ASN A 65 -11.148 -9.421 13.508 1.00 50.11 H new ATOM 0 HD22 ASN A 65 -10.895 -8.420 12.074 1.00 50.11 H new ATOM 1025 N GLU A 66 -5.828 -7.043 13.771 1.00 4.20 N ATOM 1026 CA GLU A 66 -4.794 -7.473 14.747 1.00 11.21 C ATOM 1027 C GLU A 66 -5.368 -7.610 16.196 1.00 30.13 C ATOM 1028 O GLU A 66 -4.632 -7.892 17.151 1.00 40.25 O ATOM 1029 CB GLU A 66 -3.570 -6.517 14.688 1.00 73.34 C ATOM 1030 CG GLU A 66 -2.309 -7.011 15.440 1.00 63.44 C ATOM 1031 CD GLU A 66 -1.801 -8.390 14.974 1.00 55.42 C ATOM 1032 OE1 GLU A 66 -1.075 -8.459 13.961 1.00 32.32 O ATOM 1033 OE2 GLU A 66 -2.125 -9.412 15.617 1.00 70.20 O ATOM 0 H GLU A 66 -5.850 -6.036 13.608 1.00 4.20 H new ATOM 0 HA GLU A 66 -4.458 -8.471 14.465 1.00 11.21 H new ATOM 0 HB2 GLU A 66 -3.308 -6.352 13.643 1.00 73.34 H new ATOM 0 HB3 GLU A 66 -3.864 -5.551 15.099 1.00 73.34 H new ATOM 0 HG2 GLU A 66 -1.512 -6.279 15.311 1.00 63.44 H new ATOM 0 HG3 GLU A 66 -2.530 -7.058 16.506 1.00 63.44 H new ATOM 1040 N GLY A 67 -6.698 -7.433 16.350 1.00 64.21 N ATOM 1041 CA GLY A 67 -7.394 -7.886 17.566 1.00 4.34 C ATOM 1042 C GLY A 67 -7.293 -9.406 17.701 1.00 5.12 C ATOM 1043 O GLY A 67 -6.753 -9.923 18.683 1.00 5.34 O ATOM 0 H GLY A 67 -7.300 -6.987 15.658 1.00 64.21 H new ATOM 0 HA2 GLY A 67 -6.958 -7.407 18.443 1.00 4.34 H new ATOM 0 HA3 GLY A 67 -8.441 -7.586 17.527 1.00 4.34 H new ATOM 1047 N HIS A 68 -7.802 -10.090 16.662 1.00 2.42 N ATOM 1048 CA HIS A 68 -7.580 -11.524 16.406 1.00 64.04 C ATOM 1049 C HIS A 68 -8.241 -11.919 15.067 1.00 10.01 C ATOM 1050 O HIS A 68 -9.449 -11.732 14.882 1.00 12.13 O ATOM 1051 CB HIS A 68 -8.117 -12.422 17.548 1.00 4.21 C ATOM 1052 CG HIS A 68 -7.770 -13.890 17.406 1.00 35.42 C ATOM 1053 ND1 HIS A 68 -8.716 -14.888 17.321 1.00 62.44 N ATOM 1054 CD2 HIS A 68 -6.567 -14.523 17.354 1.00 13.04 C ATOM 1055 CE1 HIS A 68 -8.121 -16.059 17.234 1.00 35.41 C ATOM 1056 NE2 HIS A 68 -6.820 -15.869 17.248 1.00 31.35 N ATOM 0 H HIS A 68 -8.395 -9.649 15.958 1.00 2.42 H new ATOM 0 HA HIS A 68 -6.503 -11.684 16.355 1.00 64.04 H new ATOM 0 HB2 HIS A 68 -7.722 -12.058 18.496 1.00 4.21 H new ATOM 0 HB3 HIS A 68 -9.201 -12.320 17.594 1.00 4.21 H new ATOM 0 HD2 HIS A 68 -5.594 -14.055 17.389 1.00 13.04 H new ATOM 0 HE1 HIS A 68 -8.618 -17.015 17.163 1.00 35.41 H new ATOM 0 HE2 HIS A 68 -6.113 -16.602 17.190 1.00 31.35 H new ATOM 1065 N PHE A 69 -7.430 -12.442 14.136 1.00 12.34 N ATOM 1066 CA PHE A 69 -7.924 -13.040 12.881 1.00 44.32 C ATOM 1067 C PHE A 69 -8.683 -14.361 13.174 1.00 64.04 C ATOM 1068 O PHE A 69 -8.332 -15.086 14.116 1.00 65.41 O ATOM 1069 CB PHE A 69 -6.736 -13.305 11.906 1.00 20.41 C ATOM 1070 CG PHE A 69 -5.748 -14.388 12.370 1.00 74.12 C ATOM 1071 CD1 PHE A 69 -4.784 -14.113 13.345 1.00 33.11 C ATOM 1072 CD2 PHE A 69 -5.800 -15.685 11.847 1.00 74.43 C ATOM 1073 CE1 PHE A 69 -3.910 -15.095 13.780 1.00 4.45 C ATOM 1074 CE2 PHE A 69 -4.927 -16.664 12.287 1.00 22.35 C ATOM 1075 CZ PHE A 69 -3.982 -16.370 13.250 1.00 31.31 C ATOM 0 H PHE A 69 -6.414 -12.464 14.229 1.00 12.34 H new ATOM 0 HA PHE A 69 -8.614 -12.340 12.410 1.00 44.32 H new ATOM 0 HB2 PHE A 69 -7.139 -13.593 10.935 1.00 20.41 H new ATOM 0 HB3 PHE A 69 -6.189 -12.373 11.760 1.00 20.41 H new ATOM 0 HD1 PHE A 69 -4.720 -13.120 13.765 1.00 33.11 H new ATOM 0 HD2 PHE A 69 -6.532 -15.925 11.090 1.00 74.43 H new ATOM 0 HE1 PHE A 69 -3.172 -14.865 14.534 1.00 4.45 H new ATOM 0 HE2 PHE A 69 -4.985 -17.661 11.876 1.00 22.35 H new ATOM 0 HZ PHE A 69 -3.300 -17.135 13.589 1.00 31.31 H new ATOM 1085 N ASP A 70 -9.731 -14.657 12.392 1.00 43.51 N ATOM 1086 CA ASP A 70 -10.457 -15.946 12.501 1.00 32.04 C ATOM 1087 C ASP A 70 -10.022 -16.908 11.373 1.00 20.53 C ATOM 1088 O ASP A 70 -9.520 -18.008 11.631 1.00 74.25 O ATOM 1089 CB ASP A 70 -11.986 -15.713 12.467 1.00 24.12 C ATOM 1090 CG ASP A 70 -12.796 -16.995 12.743 1.00 2.14 C ATOM 1091 OD1 ASP A 70 -13.030 -17.317 13.929 1.00 31.34 O ATOM 1092 OD2 ASP A 70 -13.180 -17.700 11.788 1.00 62.33 O ATOM 0 H ASP A 70 -10.099 -14.029 11.678 1.00 43.51 H new ATOM 0 HA ASP A 70 -10.205 -16.406 13.457 1.00 32.04 H new ATOM 0 HB2 ASP A 70 -12.249 -14.957 13.207 1.00 24.12 H new ATOM 0 HB3 ASP A 70 -12.266 -15.316 11.491 1.00 24.12 H new ATOM 1097 N PHE A 71 -10.215 -16.468 10.124 1.00 71.14 N ATOM 1098 CA PHE A 71 -9.966 -17.293 8.920 1.00 53.51 C ATOM 1099 C PHE A 71 -8.523 -17.106 8.376 1.00 43.21 C ATOM 1100 O PHE A 71 -7.763 -16.255 8.860 1.00 33.21 O ATOM 1101 CB PHE A 71 -10.986 -16.914 7.815 1.00 41.25 C ATOM 1102 CG PHE A 71 -12.455 -17.064 8.207 1.00 73.52 C ATOM 1103 CD1 PHE A 71 -13.088 -18.308 8.147 1.00 44.33 C ATOM 1104 CD2 PHE A 71 -13.205 -15.966 8.631 1.00 31.34 C ATOM 1105 CE1 PHE A 71 -14.421 -18.444 8.492 1.00 60.11 C ATOM 1106 CE2 PHE A 71 -14.538 -16.104 8.978 1.00 15.53 C ATOM 1107 CZ PHE A 71 -15.144 -17.344 8.910 1.00 12.51 C ATOM 0 H PHE A 71 -10.549 -15.528 9.912 1.00 71.14 H new ATOM 0 HA PHE A 71 -10.083 -18.339 9.203 1.00 53.51 H new ATOM 0 HB2 PHE A 71 -10.809 -15.880 7.519 1.00 41.25 H new ATOM 0 HB3 PHE A 71 -10.795 -17.534 6.939 1.00 41.25 H new ATOM 0 HD1 PHE A 71 -12.529 -19.175 7.827 1.00 44.33 H new ATOM 0 HD2 PHE A 71 -12.738 -14.994 8.689 1.00 31.34 H new ATOM 0 HE1 PHE A 71 -14.897 -19.412 8.434 1.00 60.11 H new ATOM 0 HE2 PHE A 71 -15.104 -15.243 9.302 1.00 15.53 H new ATOM 0 HZ PHE A 71 -16.183 -17.453 9.184 1.00 12.51 H new ATOM 1117 N SER A 72 -8.179 -17.953 7.381 1.00 32.34 N ATOM 1118 CA SER A 72 -6.988 -17.821 6.493 1.00 3.34 C ATOM 1119 C SER A 72 -7.161 -18.797 5.305 1.00 52.32 C ATOM 1120 O SER A 72 -6.855 -19.986 5.427 1.00 32.23 O ATOM 1121 CB SER A 72 -5.650 -18.109 7.237 1.00 52.33 C ATOM 1122 OG SER A 72 -5.244 -17.025 8.063 1.00 3.23 O ATOM 0 H SER A 72 -8.738 -18.778 7.161 1.00 32.34 H new ATOM 0 HA SER A 72 -6.929 -16.790 6.145 1.00 3.34 H new ATOM 0 HB2 SER A 72 -5.763 -19.005 7.848 1.00 52.33 H new ATOM 0 HB3 SER A 72 -4.869 -18.318 6.506 1.00 52.33 H new ATOM 0 HG SER A 72 -6.035 -16.590 8.444 1.00 3.23 H new ATOM 1128 N PHE A 73 -7.667 -18.295 4.159 1.00 21.51 N ATOM 1129 CA PHE A 73 -8.137 -19.162 3.043 1.00 34.11 C ATOM 1130 C PHE A 73 -7.528 -18.758 1.668 1.00 11.12 C ATOM 1131 O PHE A 73 -6.699 -19.500 1.128 1.00 52.44 O ATOM 1132 CB PHE A 73 -9.704 -19.216 3.017 1.00 42.33 C ATOM 1133 CG PHE A 73 -10.441 -17.860 3.057 1.00 73.30 C ATOM 1134 CD1 PHE A 73 -10.619 -17.180 4.261 1.00 73.51 C ATOM 1135 CD2 PHE A 73 -10.966 -17.272 1.898 1.00 64.33 C ATOM 1136 CE1 PHE A 73 -11.291 -15.967 4.309 1.00 10.53 C ATOM 1137 CE2 PHE A 73 -11.635 -16.057 1.950 1.00 43.40 C ATOM 1138 CZ PHE A 73 -11.794 -15.406 3.156 1.00 70.11 C ATOM 0 H PHE A 73 -7.763 -17.296 3.976 1.00 21.51 H new ATOM 0 HA PHE A 73 -7.771 -20.171 3.231 1.00 34.11 H new ATOM 0 HB2 PHE A 73 -10.012 -19.745 2.115 1.00 42.33 H new ATOM 0 HB3 PHE A 73 -10.039 -19.811 3.866 1.00 42.33 H new ATOM 0 HD1 PHE A 73 -10.227 -17.605 5.173 1.00 73.51 H new ATOM 0 HD2 PHE A 73 -10.848 -17.773 0.948 1.00 64.33 H new ATOM 0 HE1 PHE A 73 -11.420 -15.461 5.254 1.00 10.53 H new ATOM 0 HE2 PHE A 73 -12.032 -15.621 1.045 1.00 43.40 H new ATOM 0 HZ PHE A 73 -12.312 -14.459 3.196 1.00 70.11 H new ATOM 1148 N GLY A 74 -7.931 -17.589 1.127 1.00 35.43 N ATOM 1149 CA GLY A 74 -7.545 -17.143 -0.234 1.00 12.12 C ATOM 1150 C GLY A 74 -7.753 -18.199 -1.335 1.00 41.21 C ATOM 1151 O GLY A 74 -6.894 -18.372 -2.213 1.00 52.11 O ATOM 0 H GLY A 74 -8.532 -16.927 1.618 1.00 35.43 H new ATOM 0 HA2 GLY A 74 -8.121 -16.253 -0.488 1.00 12.12 H new ATOM 0 HA3 GLY A 74 -6.495 -16.850 -0.223 1.00 12.12 H new ATOM 1155 N LEU A 75 -8.905 -18.910 -1.286 1.00 54.41 N ATOM 1156 CA LEU A 75 -9.171 -20.080 -2.161 1.00 24.13 C ATOM 1157 C LEU A 75 -10.137 -19.741 -3.324 1.00 12.12 C ATOM 1158 O LEU A 75 -11.092 -18.968 -3.162 1.00 41.11 O ATOM 1159 CB LEU A 75 -9.696 -21.317 -1.344 1.00 23.22 C ATOM 1160 CG LEU A 75 -11.215 -21.380 -0.949 1.00 53.24 C ATOM 1161 CD1 LEU A 75 -11.561 -22.735 -0.287 1.00 55.23 C ATOM 1162 CD2 LEU A 75 -11.644 -20.200 -0.054 1.00 3.15 C ATOM 0 H LEU A 75 -9.669 -18.693 -0.646 1.00 54.41 H new ATOM 0 HA LEU A 75 -8.212 -20.351 -2.602 1.00 24.13 H new ATOM 0 HB2 LEU A 75 -9.469 -22.213 -1.922 1.00 23.22 H new ATOM 0 HB3 LEU A 75 -9.114 -21.375 -0.424 1.00 23.22 H new ATOM 0 HG LEU A 75 -11.784 -21.294 -1.875 1.00 53.24 H new ATOM 0 HD11 LEU A 75 -12.619 -22.752 -0.024 1.00 55.23 H new ATOM 0 HD12 LEU A 75 -11.348 -23.545 -0.984 1.00 55.23 H new ATOM 0 HD13 LEU A 75 -10.961 -22.864 0.614 1.00 55.23 H new ATOM 0 HD21 LEU A 75 -12.702 -20.294 0.189 1.00 3.15 H new ATOM 0 HD22 LEU A 75 -11.059 -20.209 0.865 1.00 3.15 H new ATOM 0 HD23 LEU A 75 -11.475 -19.262 -0.583 1.00 3.15 H new ATOM 1174 N GLU A 76 -9.848 -20.343 -4.485 1.00 12.21 N ATOM 1175 CA GLU A 76 -10.660 -20.243 -5.719 1.00 43.44 C ATOM 1176 C GLU A 76 -10.141 -21.267 -6.762 1.00 23.33 C ATOM 1177 O GLU A 76 -8.925 -21.482 -6.877 1.00 72.54 O ATOM 1178 CB GLU A 76 -10.622 -18.795 -6.309 1.00 65.44 C ATOM 1179 CG GLU A 76 -11.415 -18.586 -7.622 1.00 13.43 C ATOM 1180 CD GLU A 76 -12.926 -18.873 -7.502 1.00 31.32 C ATOM 1181 OE1 GLU A 76 -13.688 -17.961 -7.119 1.00 43.15 O ATOM 1182 OE2 GLU A 76 -13.359 -20.009 -7.803 1.00 13.11 O ATOM 0 H GLU A 76 -9.022 -20.930 -4.602 1.00 12.21 H new ATOM 0 HA GLU A 76 -11.697 -20.469 -5.472 1.00 43.44 H new ATOM 0 HB2 GLU A 76 -11.009 -18.106 -5.558 1.00 65.44 H new ATOM 0 HB3 GLU A 76 -9.582 -18.522 -6.486 1.00 65.44 H new ATOM 0 HG2 GLU A 76 -11.278 -17.558 -7.956 1.00 13.43 H new ATOM 0 HG3 GLU A 76 -10.994 -19.231 -8.394 1.00 13.43 H new ATOM 1189 N HIS A 77 -11.066 -21.892 -7.523 1.00 0.15 N ATOM 1190 CA HIS A 77 -10.721 -22.838 -8.616 1.00 74.10 C ATOM 1191 C HIS A 77 -10.357 -22.084 -9.933 1.00 41.02 C ATOM 1192 O HIS A 77 -10.882 -22.380 -11.016 1.00 40.23 O ATOM 1193 CB HIS A 77 -11.877 -23.870 -8.819 1.00 13.30 C ATOM 1194 CG HIS A 77 -13.259 -23.272 -9.028 1.00 54.20 C ATOM 1195 ND1 HIS A 77 -14.190 -23.157 -8.015 1.00 23.33 N ATOM 1196 CD2 HIS A 77 -13.869 -22.781 -10.137 1.00 23.51 C ATOM 1197 CE1 HIS A 77 -15.299 -22.626 -8.486 1.00 4.33 C ATOM 1198 NE2 HIS A 77 -15.132 -22.389 -9.765 1.00 70.03 N ATOM 0 H HIS A 77 -12.070 -21.758 -7.401 1.00 0.15 H new ATOM 0 HA HIS A 77 -9.828 -23.393 -8.328 1.00 74.10 H new ATOM 0 HB2 HIS A 77 -11.636 -24.494 -9.680 1.00 13.30 H new ATOM 0 HB3 HIS A 77 -11.912 -24.526 -7.949 1.00 13.30 H new ATOM 0 HD2 HIS A 77 -13.441 -22.712 -11.126 1.00 23.51 H new ATOM 0 HE1 HIS A 77 -16.193 -22.421 -7.916 1.00 4.33 H new ATOM 0 HE2 HIS A 77 -15.830 -21.978 -10.386 1.00 70.03 H new ATOM 1207 N HIS A 78 -9.414 -21.131 -9.821 1.00 42.34 N ATOM 1208 CA HIS A 78 -8.952 -20.297 -10.945 1.00 62.33 C ATOM 1209 C HIS A 78 -7.443 -20.000 -10.801 1.00 13.43 C ATOM 1210 O HIS A 78 -7.022 -19.327 -9.856 1.00 21.43 O ATOM 1211 CB HIS A 78 -9.765 -18.978 -11.001 1.00 21.13 C ATOM 1212 CG HIS A 78 -9.378 -18.055 -12.124 1.00 71.44 C ATOM 1213 ND1 HIS A 78 -9.011 -16.742 -11.931 1.00 5.31 N ATOM 1214 CD2 HIS A 78 -9.323 -18.261 -13.462 1.00 61.34 C ATOM 1215 CE1 HIS A 78 -8.743 -16.186 -13.091 1.00 11.51 C ATOM 1216 NE2 HIS A 78 -8.924 -17.081 -14.039 1.00 50.42 N ATOM 0 H HIS A 78 -8.947 -20.916 -8.940 1.00 42.34 H new ATOM 0 HA HIS A 78 -9.110 -20.840 -11.877 1.00 62.33 H new ATOM 0 HB2 HIS A 78 -10.823 -19.222 -11.096 1.00 21.13 H new ATOM 0 HB3 HIS A 78 -9.643 -18.450 -10.055 1.00 21.13 H new ATOM 0 HD2 HIS A 78 -9.551 -19.182 -13.978 1.00 61.34 H new ATOM 0 HE1 HIS A 78 -8.427 -15.164 -13.242 1.00 11.51 H new ATOM 0 HE2 HIS A 78 -8.790 -16.924 -15.038 1.00 50.42 H new ATOM 1225 N HIS A 79 -6.648 -20.507 -11.756 1.00 3.54 N ATOM 1226 CA HIS A 79 -5.181 -20.325 -11.790 1.00 32.54 C ATOM 1227 C HIS A 79 -4.774 -18.926 -12.320 1.00 10.21 C ATOM 1228 O HIS A 79 -5.619 -18.120 -12.736 1.00 33.44 O ATOM 1229 CB HIS A 79 -4.543 -21.431 -12.675 1.00 54.42 C ATOM 1230 CG HIS A 79 -4.806 -22.834 -12.194 1.00 63.23 C ATOM 1231 ND1 HIS A 79 -5.808 -23.631 -12.704 1.00 53.00 N ATOM 1232 CD2 HIS A 79 -4.184 -23.582 -11.250 1.00 54.44 C ATOM 1233 CE1 HIS A 79 -5.794 -24.798 -12.095 1.00 42.24 C ATOM 1234 NE2 HIS A 79 -4.820 -24.797 -11.211 1.00 52.23 N ATOM 0 H HIS A 79 -7.005 -21.060 -12.535 1.00 3.54 H new ATOM 0 HA HIS A 79 -4.814 -20.403 -10.767 1.00 32.54 H new ATOM 0 HB2 HIS A 79 -4.922 -21.330 -13.692 1.00 54.42 H new ATOM 0 HB3 HIS A 79 -3.466 -21.270 -12.719 1.00 54.42 H new ATOM 0 HD2 HIS A 79 -3.345 -23.278 -10.642 1.00 54.44 H new ATOM 0 HE1 HIS A 79 -6.469 -25.619 -12.289 1.00 42.24 H new ATOM 0 HE2 HIS A 79 -4.577 -25.574 -10.596 1.00 52.23 H new ATOM 1243 N HIS A 80 -3.457 -18.662 -12.289 1.00 44.42 N ATOM 1244 CA HIS A 80 -2.859 -17.420 -12.825 1.00 71.42 C ATOM 1245 C HIS A 80 -2.647 -17.514 -14.358 1.00 44.13 C ATOM 1246 O HIS A 80 -2.668 -18.606 -14.940 1.00 0.35 O ATOM 1247 CB HIS A 80 -1.515 -17.134 -12.104 1.00 64.23 C ATOM 1248 CG HIS A 80 -1.643 -17.048 -10.605 1.00 41.35 C ATOM 1249 ND1 HIS A 80 -1.222 -18.049 -9.755 1.00 60.14 N ATOM 1250 CD2 HIS A 80 -2.165 -16.082 -9.805 1.00 74.21 C ATOM 1251 CE1 HIS A 80 -1.475 -17.709 -8.512 1.00 74.54 C ATOM 1252 NE2 HIS A 80 -2.047 -16.526 -8.512 1.00 12.54 N ATOM 0 H HIS A 80 -2.772 -19.304 -11.891 1.00 44.42 H new ATOM 0 HA HIS A 80 -3.548 -16.596 -12.639 1.00 71.42 H new ATOM 0 HB2 HIS A 80 -0.803 -17.920 -12.355 1.00 64.23 H new ATOM 0 HB3 HIS A 80 -1.102 -16.198 -12.480 1.00 64.23 H new ATOM 0 HD2 HIS A 80 -2.592 -15.143 -10.126 1.00 74.21 H new ATOM 0 HE1 HIS A 80 -1.251 -18.302 -7.637 1.00 74.54 H new ATOM 0 HE2 HIS A 80 -2.355 -16.018 -7.682 1.00 12.54 H new ATOM 1261 N HIS A 81 -2.417 -16.353 -14.995 1.00 45.11 N ATOM 1262 CA HIS A 81 -2.248 -16.243 -16.468 1.00 3.21 C ATOM 1263 C HIS A 81 -0.794 -16.542 -16.939 1.00 73.42 C ATOM 1264 O HIS A 81 -0.475 -16.377 -18.125 1.00 41.33 O ATOM 1265 CB HIS A 81 -2.701 -14.837 -16.934 1.00 64.12 C ATOM 1266 CG HIS A 81 -4.155 -14.545 -16.661 1.00 44.42 C ATOM 1267 ND1 HIS A 81 -4.597 -13.428 -15.979 1.00 3.55 N ATOM 1268 CD2 HIS A 81 -5.272 -15.226 -17.013 1.00 50.53 C ATOM 1269 CE1 HIS A 81 -5.912 -13.440 -15.921 1.00 73.32 C ATOM 1270 NE2 HIS A 81 -6.346 -14.516 -16.540 1.00 54.02 N ATOM 0 H HIS A 81 -2.342 -15.459 -14.509 1.00 45.11 H new ATOM 0 HA HIS A 81 -2.875 -17.006 -16.929 1.00 3.21 H new ATOM 0 HB2 HIS A 81 -2.089 -14.085 -16.436 1.00 64.12 H new ATOM 0 HB3 HIS A 81 -2.515 -14.742 -18.004 1.00 64.12 H new ATOM 0 HD2 HIS A 81 -5.310 -16.155 -17.563 1.00 50.53 H new ATOM 0 HE1 HIS A 81 -6.530 -12.693 -15.446 1.00 73.32 H new ATOM 0 HE2 HIS A 81 -7.325 -14.780 -16.651 1.00 54.02 H new ATOM 1279 N HIS A 82 0.069 -16.990 -16.001 1.00 44.32 N ATOM 1280 CA HIS A 82 1.451 -17.429 -16.300 1.00 53.53 C ATOM 1281 C HIS A 82 1.939 -18.414 -15.215 1.00 40.54 C ATOM 1282 O HIS A 82 2.788 -19.282 -15.462 1.00 3.35 O ATOM 1283 CB HIS A 82 2.402 -16.200 -16.412 1.00 0.24 C ATOM 1284 CG HIS A 82 3.816 -16.534 -16.833 1.00 4.54 C ATOM 1285 ND1 HIS A 82 4.132 -16.993 -18.093 1.00 63.11 N ATOM 1286 CD2 HIS A 82 4.991 -16.488 -16.153 1.00 25.20 C ATOM 1287 CE1 HIS A 82 5.427 -17.216 -18.173 1.00 13.24 C ATOM 1288 NE2 HIS A 82 5.976 -16.918 -17.012 1.00 3.22 N ATOM 0 H HIS A 82 -0.173 -17.058 -15.013 1.00 44.32 H new ATOM 0 HA HIS A 82 1.459 -17.945 -17.260 1.00 53.53 H new ATOM 0 HB2 HIS A 82 1.980 -15.495 -17.129 1.00 0.24 H new ATOM 0 HB3 HIS A 82 2.434 -15.693 -15.448 1.00 0.24 H new ATOM 0 HD2 HIS A 82 5.127 -16.173 -15.129 1.00 25.20 H new ATOM 0 HE1 HIS A 82 5.951 -17.582 -19.043 1.00 13.24 H new ATOM 0 HE2 HIS A 82 6.968 -16.994 -16.787 1.00 3.22 H new TER 1297 HIS A 82 ATOM 1298 N MET B 1 8.711 -12.254 11.743 1.00 41.52 N ATOM 1299 CA MET B 1 9.165 -12.534 10.378 1.00 74.43 C ATOM 1300 C MET B 1 8.409 -11.654 9.354 1.00 44.40 C ATOM 1301 O MET B 1 9.027 -10.873 8.622 1.00 74.04 O ATOM 1302 CB MET B 1 8.981 -14.040 10.047 1.00 72.14 C ATOM 1303 CG MET B 1 9.408 -14.436 8.622 1.00 44.40 C ATOM 1304 SD MET B 1 9.122 -16.184 8.262 1.00 62.14 S ATOM 1305 CE MET B 1 9.612 -16.290 6.536 1.00 3.40 C ATOM 0 H1 MET B 1 9.232 -12.856 12.412 1.00 41.52 H new ATOM 0 H2 MET B 1 8.885 -11.254 11.969 1.00 41.52 H new ATOM 0 H3 MET B 1 7.693 -12.453 11.818 1.00 41.52 H new ATOM 0 HA MET B 1 10.226 -12.291 10.313 1.00 74.43 H new ATOM 0 HB2 MET B 1 9.555 -14.629 10.762 1.00 72.14 H new ATOM 0 HB3 MET B 1 7.933 -14.304 10.185 1.00 72.14 H new ATOM 0 HG2 MET B 1 8.861 -13.828 7.902 1.00 44.40 H new ATOM 0 HG3 MET B 1 10.466 -14.211 8.490 1.00 44.40 H new ATOM 0 HE1 MET B 1 9.778 -17.334 6.268 1.00 3.40 H new ATOM 0 HE2 MET B 1 8.824 -15.875 5.908 1.00 3.40 H new ATOM 0 HE3 MET B 1 10.532 -15.726 6.384 1.00 3.40 H new ATOM 1315 N ASP B 2 7.058 -11.792 9.327 1.00 73.31 N ATOM 1316 CA ASP B 2 6.153 -11.072 8.374 1.00 14.50 C ATOM 1317 C ASP B 2 6.348 -9.532 8.408 1.00 5.12 C ATOM 1318 O ASP B 2 6.315 -8.852 7.374 1.00 70.14 O ATOM 1319 CB ASP B 2 4.670 -11.438 8.683 1.00 24.42 C ATOM 1320 CG ASP B 2 4.275 -11.208 10.159 1.00 30.34 C ATOM 1321 OD1 ASP B 2 4.425 -12.144 10.977 1.00 44.33 O ATOM 1322 OD2 ASP B 2 3.846 -10.086 10.514 1.00 23.32 O ATOM 0 H ASP B 2 6.557 -12.408 9.967 1.00 73.31 H new ATOM 0 HA ASP B 2 6.414 -11.397 7.367 1.00 14.50 H new ATOM 0 HB2 ASP B 2 4.016 -10.845 8.043 1.00 24.42 H new ATOM 0 HB3 ASP B 2 4.501 -12.484 8.428 1.00 24.42 H new ATOM 1327 N LYS B 3 6.576 -9.019 9.623 1.00 1.43 N ATOM 1328 CA LYS B 3 6.743 -7.578 9.895 1.00 42.23 C ATOM 1329 C LYS B 3 8.091 -7.051 9.344 1.00 74.22 C ATOM 1330 O LYS B 3 8.246 -5.857 9.082 1.00 50.41 O ATOM 1331 CB LYS B 3 6.631 -7.339 11.430 1.00 73.22 C ATOM 1332 CG LYS B 3 6.143 -5.933 11.854 1.00 72.41 C ATOM 1333 CD LYS B 3 4.729 -5.571 11.312 1.00 73.53 C ATOM 1334 CE LYS B 3 3.668 -6.681 11.528 1.00 53.01 C ATOM 1335 NZ LYS B 3 3.705 -7.258 12.897 1.00 73.22 N ATOM 0 H LYS B 3 6.652 -9.598 10.460 1.00 1.43 H new ATOM 0 HA LYS B 3 5.956 -7.024 9.383 1.00 42.23 H new ATOM 0 HB2 LYS B 3 5.950 -8.081 11.846 1.00 73.22 H new ATOM 0 HB3 LYS B 3 7.608 -7.516 11.879 1.00 73.22 H new ATOM 0 HG2 LYS B 3 6.131 -5.875 12.942 1.00 72.41 H new ATOM 0 HG3 LYS B 3 6.858 -5.189 11.503 1.00 72.41 H new ATOM 0 HD2 LYS B 3 4.388 -4.657 11.798 1.00 73.53 H new ATOM 0 HD3 LYS B 3 4.804 -5.356 10.246 1.00 73.53 H new ATOM 0 HE2 LYS B 3 2.676 -6.270 11.339 1.00 53.01 H new ATOM 0 HE3 LYS B 3 3.828 -7.476 10.800 1.00 53.01 H new ATOM 0 HZ1 LYS B 3 2.975 -7.994 12.983 1.00 73.22 H new ATOM 0 HZ2 LYS B 3 4.641 -7.676 13.072 1.00 73.22 H new ATOM 0 HZ3 LYS B 3 3.525 -6.508 13.595 1.00 73.22 H new ATOM 1349 N LYS B 4 9.067 -7.962 9.187 1.00 61.11 N ATOM 1350 CA LYS B 4 10.382 -7.648 8.591 1.00 13.03 C ATOM 1351 C LYS B 4 10.401 -7.888 7.063 1.00 45.31 C ATOM 1352 O LYS B 4 11.210 -7.280 6.355 1.00 21.50 O ATOM 1353 CB LYS B 4 11.490 -8.477 9.284 1.00 23.33 C ATOM 1354 CG LYS B 4 11.643 -8.215 10.800 1.00 45.24 C ATOM 1355 CD LYS B 4 11.940 -6.737 11.156 1.00 42.53 C ATOM 1356 CE LYS B 4 13.216 -6.186 10.485 1.00 52.45 C ATOM 1357 NZ LYS B 4 14.437 -6.963 10.840 1.00 20.13 N ATOM 0 H LYS B 4 8.969 -8.937 9.469 1.00 61.11 H new ATOM 0 HA LYS B 4 10.572 -6.587 8.752 1.00 13.03 H new ATOM 0 HB2 LYS B 4 11.281 -9.536 9.132 1.00 23.33 H new ATOM 0 HB3 LYS B 4 12.441 -8.266 8.795 1.00 23.33 H new ATOM 0 HG2 LYS B 4 10.728 -8.523 11.306 1.00 45.24 H new ATOM 0 HG3 LYS B 4 12.448 -8.840 11.187 1.00 45.24 H new ATOM 0 HD2 LYS B 4 11.090 -6.123 10.861 1.00 42.53 H new ATOM 0 HD3 LYS B 4 12.039 -6.645 12.238 1.00 42.53 H new ATOM 0 HE2 LYS B 4 13.086 -6.197 9.403 1.00 52.45 H new ATOM 0 HE3 LYS B 4 13.355 -5.146 10.779 1.00 52.45 H new ATOM 0 HZ1 LYS B 4 15.263 -6.549 10.362 1.00 20.13 H new ATOM 0 HZ2 LYS B 4 14.581 -6.932 11.869 1.00 20.13 H new ATOM 0 HZ3 LYS B 4 14.320 -7.951 10.536 1.00 20.13 H new ATOM 1371 N ILE B 5 9.519 -8.786 6.567 1.00 32.31 N ATOM 1372 CA ILE B 5 9.357 -9.042 5.111 1.00 63.15 C ATOM 1373 C ILE B 5 8.934 -7.745 4.375 1.00 20.32 C ATOM 1374 O ILE B 5 9.506 -7.396 3.341 1.00 53.34 O ATOM 1375 CB ILE B 5 8.304 -10.191 4.836 1.00 55.55 C ATOM 1376 CG1 ILE B 5 8.794 -11.554 5.429 1.00 21.12 C ATOM 1377 CG2 ILE B 5 7.982 -10.339 3.324 1.00 70.34 C ATOM 1378 CD1 ILE B 5 7.816 -12.719 5.259 1.00 50.34 C ATOM 0 H ILE B 5 8.904 -9.350 7.154 1.00 32.31 H new ATOM 0 HA ILE B 5 10.322 -9.371 4.726 1.00 63.15 H new ATOM 0 HB ILE B 5 7.381 -9.904 5.340 1.00 55.55 H new ATOM 0 HG12 ILE B 5 9.739 -11.820 4.956 1.00 21.12 H new ATOM 0 HG13 ILE B 5 8.996 -11.420 6.492 1.00 21.12 H new ATOM 0 HG21 ILE B 5 7.255 -11.139 3.183 1.00 70.34 H new ATOM 0 HG22 ILE B 5 7.569 -9.403 2.947 1.00 70.34 H new ATOM 0 HG23 ILE B 5 8.895 -10.579 2.779 1.00 70.34 H new ATOM 0 HD11 ILE B 5 8.243 -13.620 5.701 1.00 50.34 H new ATOM 0 HD12 ILE B 5 6.876 -12.481 5.757 1.00 50.34 H new ATOM 0 HD13 ILE B 5 7.632 -12.887 4.198 1.00 50.34 H new ATOM 1390 N VAL B 6 7.946 -7.029 4.942 1.00 44.43 N ATOM 1391 CA VAL B 6 7.468 -5.740 4.390 1.00 32.31 C ATOM 1392 C VAL B 6 8.569 -4.644 4.426 1.00 52.51 C ATOM 1393 O VAL B 6 8.604 -3.780 3.555 1.00 4.30 O ATOM 1394 CB VAL B 6 6.172 -5.239 5.130 1.00 21.31 C ATOM 1395 CG1 VAL B 6 5.020 -6.243 4.932 1.00 62.34 C ATOM 1396 CG2 VAL B 6 6.434 -4.984 6.634 1.00 1.20 C ATOM 0 H VAL B 6 7.458 -7.321 5.789 1.00 44.43 H new ATOM 0 HA VAL B 6 7.217 -5.925 3.346 1.00 32.31 H new ATOM 0 HB VAL B 6 5.882 -4.286 4.688 1.00 21.31 H new ATOM 0 HG11 VAL B 6 4.131 -5.883 5.449 1.00 62.34 H new ATOM 0 HG12 VAL B 6 4.805 -6.345 3.868 1.00 62.34 H new ATOM 0 HG13 VAL B 6 5.308 -7.213 5.338 1.00 62.34 H new ATOM 0 HG21 VAL B 6 5.516 -4.639 7.110 1.00 1.20 H new ATOM 0 HG22 VAL B 6 6.763 -5.909 7.108 1.00 1.20 H new ATOM 0 HG23 VAL B 6 7.207 -4.224 6.745 1.00 1.20 H new ATOM 1406 N GLY B 7 9.469 -4.718 5.431 1.00 62.31 N ATOM 1407 CA GLY B 7 10.622 -3.804 5.533 1.00 73.33 C ATOM 1408 C GLY B 7 11.701 -4.070 4.470 1.00 2.12 C ATOM 1409 O GLY B 7 12.250 -3.134 3.876 1.00 72.22 O ATOM 0 H GLY B 7 9.416 -5.404 6.184 1.00 62.31 H new ATOM 0 HA2 GLY B 7 10.272 -2.776 5.437 1.00 73.33 H new ATOM 0 HA3 GLY B 7 11.066 -3.899 6.524 1.00 73.33 H new ATOM 1413 N ALA B 8 11.978 -5.367 4.226 1.00 21.45 N ATOM 1414 CA ALA B 8 12.942 -5.825 3.195 1.00 22.45 C ATOM 1415 C ALA B 8 12.451 -5.476 1.762 1.00 35.52 C ATOM 1416 O ALA B 8 13.224 -4.997 0.919 1.00 13.12 O ATOM 1417 CB ALA B 8 13.172 -7.342 3.340 1.00 53.25 C ATOM 0 H ALA B 8 11.540 -6.132 4.739 1.00 21.45 H new ATOM 0 HA ALA B 8 13.886 -5.303 3.349 1.00 22.45 H new ATOM 0 HB1 ALA B 8 13.880 -7.677 2.582 1.00 53.25 H new ATOM 0 HB2 ALA B 8 13.573 -7.556 4.331 1.00 53.25 H new ATOM 0 HB3 ALA B 8 12.226 -7.868 3.210 1.00 53.25 H new ATOM 1423 N ASN B 9 11.145 -5.711 1.515 1.00 62.24 N ATOM 1424 CA ASN B 9 10.468 -5.351 0.242 1.00 54.44 C ATOM 1425 C ASN B 9 10.420 -3.823 0.047 1.00 3.51 C ATOM 1426 O ASN B 9 10.563 -3.332 -1.073 1.00 52.51 O ATOM 1427 CB ASN B 9 9.026 -5.931 0.201 1.00 43.22 C ATOM 1428 CG ASN B 9 8.985 -7.459 0.248 1.00 12.15 C ATOM 1429 OD1 ASN B 9 9.906 -8.138 -0.195 1.00 4.41 O ATOM 1430 ND2 ASN B 9 7.912 -8.015 0.777 1.00 63.44 N ATOM 0 H ASN B 9 10.525 -6.157 2.192 1.00 62.24 H new ATOM 0 HA ASN B 9 11.049 -5.786 -0.571 1.00 54.44 H new ATOM 0 HB2 ASN B 9 8.458 -5.534 1.042 1.00 43.22 H new ATOM 0 HB3 ASN B 9 8.530 -5.589 -0.708 1.00 43.22 H new ATOM 0 HD21 ASN B 9 7.835 -9.031 0.824 1.00 63.44 H new ATOM 0 HD22 ASN B 9 7.160 -7.429 1.139 1.00 63.44 H new ATOM 1437 N ALA B 10 10.250 -3.078 1.157 1.00 4.32 N ATOM 1438 CA ALA B 10 10.171 -1.600 1.136 1.00 51.43 C ATOM 1439 C ALA B 10 11.547 -0.970 0.830 1.00 25.42 C ATOM 1440 O ALA B 10 11.629 0.048 0.149 1.00 42.12 O ATOM 1441 CB ALA B 10 9.614 -1.082 2.471 1.00 31.21 C ATOM 0 H ALA B 10 10.164 -3.480 2.091 1.00 4.32 H new ATOM 0 HA ALA B 10 9.492 -1.304 0.337 1.00 51.43 H new ATOM 0 HB1 ALA B 10 9.560 0.006 2.445 1.00 31.21 H new ATOM 0 HB2 ALA B 10 8.617 -1.491 2.632 1.00 31.21 H new ATOM 0 HB3 ALA B 10 10.270 -1.393 3.284 1.00 31.21 H new ATOM 1447 N GLY B 11 12.621 -1.607 1.336 1.00 34.52 N ATOM 1448 CA GLY B 11 14.001 -1.189 1.034 1.00 74.14 C ATOM 1449 C GLY B 11 14.369 -1.392 -0.446 1.00 34.41 C ATOM 1450 O GLY B 11 15.079 -0.576 -1.038 1.00 11.11 O ATOM 0 H GLY B 11 12.557 -2.414 1.957 1.00 34.52 H new ATOM 0 HA2 GLY B 11 14.124 -0.138 1.294 1.00 74.14 H new ATOM 0 HA3 GLY B 11 14.693 -1.755 1.658 1.00 74.14 H new ATOM 1454 N LYS B 12 13.856 -2.494 -1.030 1.00 14.24 N ATOM 1455 CA LYS B 12 13.984 -2.806 -2.474 1.00 15.43 C ATOM 1456 C LYS B 12 13.258 -1.754 -3.361 1.00 1.15 C ATOM 1457 O LYS B 12 13.825 -1.256 -4.346 1.00 14.01 O ATOM 1458 CB LYS B 12 13.426 -4.237 -2.742 1.00 65.32 C ATOM 1459 CG LYS B 12 13.215 -4.595 -4.234 1.00 52.23 C ATOM 1460 CD LYS B 12 12.768 -6.068 -4.462 1.00 21.01 C ATOM 1461 CE LYS B 12 13.945 -7.064 -4.557 1.00 14.22 C ATOM 1462 NZ LYS B 12 14.834 -7.050 -3.364 1.00 42.23 N ATOM 0 H LYS B 12 13.336 -3.201 -0.510 1.00 14.24 H new ATOM 0 HA LYS B 12 15.040 -2.770 -2.743 1.00 15.43 H new ATOM 0 HB2 LYS B 12 14.110 -4.964 -2.304 1.00 65.32 H new ATOM 0 HB3 LYS B 12 12.474 -4.341 -2.222 1.00 65.32 H new ATOM 0 HG2 LYS B 12 12.465 -3.927 -4.657 1.00 52.23 H new ATOM 0 HG3 LYS B 12 14.143 -4.417 -4.777 1.00 52.23 H new ATOM 0 HD2 LYS B 12 12.112 -6.370 -3.646 1.00 21.01 H new ATOM 0 HD3 LYS B 12 12.181 -6.123 -5.379 1.00 21.01 H new ATOM 0 HE2 LYS B 12 13.549 -8.070 -4.693 1.00 14.22 H new ATOM 0 HE3 LYS B 12 14.536 -6.832 -5.443 1.00 14.22 H new ATOM 0 HZ1 LYS B 12 15.439 -7.896 -3.372 1.00 42.23 H new ATOM 0 HZ2 LYS B 12 15.430 -6.198 -3.385 1.00 42.23 H new ATOM 0 HZ3 LYS B 12 14.255 -7.046 -2.500 1.00 42.23 H new ATOM 1476 N VAL B 13 12.002 -1.430 -2.995 1.00 3.53 N ATOM 1477 CA VAL B 13 11.186 -0.412 -3.698 1.00 14.02 C ATOM 1478 C VAL B 13 11.845 0.990 -3.613 1.00 62.41 C ATOM 1479 O VAL B 13 11.992 1.681 -4.628 1.00 11.43 O ATOM 1480 CB VAL B 13 9.719 -0.370 -3.116 1.00 11.24 C ATOM 1481 CG1 VAL B 13 8.897 0.801 -3.707 1.00 53.41 C ATOM 1482 CG2 VAL B 13 8.996 -1.724 -3.351 1.00 43.51 C ATOM 0 H VAL B 13 11.523 -1.864 -2.206 1.00 3.53 H new ATOM 0 HA VAL B 13 11.132 -0.697 -4.749 1.00 14.02 H new ATOM 0 HB VAL B 13 9.799 -0.201 -2.042 1.00 11.24 H new ATOM 0 HG11 VAL B 13 7.894 0.793 -3.280 1.00 53.41 H new ATOM 0 HG12 VAL B 13 9.386 1.746 -3.468 1.00 53.41 H new ATOM 0 HG13 VAL B 13 8.831 0.690 -4.789 1.00 53.41 H new ATOM 0 HG21 VAL B 13 7.987 -1.673 -2.942 1.00 43.51 H new ATOM 0 HG22 VAL B 13 8.945 -1.928 -4.420 1.00 43.51 H new ATOM 0 HG23 VAL B 13 9.548 -2.522 -2.855 1.00 43.51 H new ATOM 1492 N TRP B 14 12.280 1.363 -2.391 1.00 40.14 N ATOM 1493 CA TRP B 14 12.931 2.668 -2.109 1.00 63.35 C ATOM 1494 C TRP B 14 14.276 2.803 -2.861 1.00 35.24 C ATOM 1495 O TRP B 14 14.650 3.900 -3.287 1.00 74.41 O ATOM 1496 CB TRP B 14 13.120 2.872 -0.580 1.00 3.51 C ATOM 1497 CG TRP B 14 13.370 4.314 -0.162 1.00 74.11 C ATOM 1498 CD1 TRP B 14 12.440 5.312 -0.004 1.00 15.24 C ATOM 1499 CD2 TRP B 14 14.628 4.898 0.158 1.00 71.55 C ATOM 1500 NE1 TRP B 14 13.058 6.472 0.388 1.00 73.14 N ATOM 1501 CE2 TRP B 14 14.401 6.240 0.501 1.00 44.01 C ATOM 1502 CE3 TRP B 14 15.924 4.400 0.190 1.00 63.54 C ATOM 1503 CZ2 TRP B 14 15.435 7.097 0.869 1.00 31.43 C ATOM 1504 CZ3 TRP B 14 16.956 5.243 0.555 1.00 11.50 C ATOM 1505 CH2 TRP B 14 16.706 6.581 0.894 1.00 41.10 C ATOM 0 H TRP B 14 12.191 0.768 -1.567 1.00 40.14 H new ATOM 0 HA TRP B 14 12.272 3.455 -2.476 1.00 63.35 H new ATOM 0 HB2 TRP B 14 12.232 2.506 -0.065 1.00 3.51 H new ATOM 0 HB3 TRP B 14 13.957 2.260 -0.245 1.00 3.51 H new ATOM 0 HD1 TRP B 14 11.378 5.200 -0.165 1.00 15.24 H new ATOM 0 HE1 TRP B 14 12.592 7.362 0.566 1.00 73.14 H new ATOM 0 HE3 TRP B 14 16.122 3.370 -0.066 1.00 63.54 H new ATOM 0 HZ2 TRP B 14 15.244 8.129 1.125 1.00 31.43 H new ATOM 0 HZ3 TRP B 14 17.968 4.867 0.580 1.00 11.50 H new ATOM 0 HH2 TRP B 14 17.530 7.217 1.180 1.00 41.10 H new ATOM 1516 N HIS B 15 14.985 1.668 -3.022 1.00 35.21 N ATOM 1517 CA HIS B 15 16.203 1.592 -3.855 1.00 34.13 C ATOM 1518 C HIS B 15 15.882 1.976 -5.319 1.00 22.14 C ATOM 1519 O HIS B 15 16.574 2.801 -5.916 1.00 14.33 O ATOM 1520 CB HIS B 15 16.823 0.169 -3.785 1.00 32.11 C ATOM 1521 CG HIS B 15 18.090 0.011 -4.587 1.00 11.21 C ATOM 1522 ND1 HIS B 15 19.319 0.419 -4.123 1.00 13.31 N ATOM 1523 CD2 HIS B 15 18.311 -0.484 -5.834 1.00 34.41 C ATOM 1524 CE1 HIS B 15 20.235 0.191 -5.039 1.00 2.12 C ATOM 1525 NE2 HIS B 15 19.655 -0.355 -6.087 1.00 71.21 N ATOM 0 H HIS B 15 14.732 0.783 -2.582 1.00 35.21 H new ATOM 0 HA HIS B 15 16.932 2.302 -3.466 1.00 34.13 H new ATOM 0 HB2 HIS B 15 17.032 -0.074 -2.743 1.00 32.11 H new ATOM 0 HB3 HIS B 15 16.088 -0.554 -4.140 1.00 32.11 H new ATOM 0 HD2 HIS B 15 17.570 -0.900 -6.500 1.00 34.41 H new ATOM 0 HE1 HIS B 15 21.288 0.415 -4.947 1.00 2.12 H new ATOM 0 HE2 HIS B 15 20.127 -0.636 -6.947 1.00 71.21 H new ATOM 1534 N ALA B 16 14.801 1.381 -5.866 1.00 33.04 N ATOM 1535 CA ALA B 16 14.333 1.656 -7.248 1.00 72.52 C ATOM 1536 C ALA B 16 13.867 3.125 -7.439 1.00 32.33 C ATOM 1537 O ALA B 16 13.902 3.649 -8.554 1.00 11.04 O ATOM 1538 CB ALA B 16 13.214 0.681 -7.634 1.00 25.13 C ATOM 0 H ALA B 16 14.228 0.699 -5.368 1.00 33.04 H new ATOM 0 HA ALA B 16 15.185 1.507 -7.911 1.00 72.52 H new ATOM 0 HB1 ALA B 16 12.880 0.894 -8.650 1.00 25.13 H new ATOM 0 HB2 ALA B 16 13.588 -0.341 -7.582 1.00 25.13 H new ATOM 0 HB3 ALA B 16 12.377 0.797 -6.945 1.00 25.13 H new ATOM 1544 N LEU B 17 13.412 3.768 -6.346 1.00 31.33 N ATOM 1545 CA LEU B 17 13.075 5.217 -6.326 1.00 63.41 C ATOM 1546 C LEU B 17 14.343 6.086 -6.464 1.00 53.32 C ATOM 1547 O LEU B 17 14.345 7.100 -7.171 1.00 14.35 O ATOM 1548 CB LEU B 17 12.339 5.570 -5.012 1.00 43.23 C ATOM 1549 CG LEU B 17 11.035 4.773 -4.742 1.00 3.31 C ATOM 1550 CD1 LEU B 17 10.466 5.097 -3.346 1.00 50.35 C ATOM 1551 CD2 LEU B 17 10.005 5.003 -5.868 1.00 63.43 C ATOM 0 H LEU B 17 13.266 3.304 -5.450 1.00 31.33 H new ATOM 0 HA LEU B 17 12.424 5.425 -7.175 1.00 63.41 H new ATOM 0 HB2 LEU B 17 13.022 5.408 -4.178 1.00 43.23 H new ATOM 0 HB3 LEU B 17 12.098 6.633 -5.025 1.00 43.23 H new ATOM 0 HG LEU B 17 11.274 3.710 -4.744 1.00 3.31 H new ATOM 0 HD11 LEU B 17 9.553 4.525 -3.184 1.00 50.35 H new ATOM 0 HD12 LEU B 17 11.200 4.834 -2.584 1.00 50.35 H new ATOM 0 HD13 LEU B 17 10.243 6.162 -3.282 1.00 50.35 H new ATOM 0 HD21 LEU B 17 9.100 4.434 -5.655 1.00 63.43 H new ATOM 0 HD22 LEU B 17 9.761 6.064 -5.927 1.00 63.43 H new ATOM 0 HD23 LEU B 17 10.425 4.674 -6.818 1.00 63.43 H new ATOM 1563 N ASN B 18 15.419 5.674 -5.761 1.00 41.20 N ATOM 1564 CA ASN B 18 16.749 6.328 -5.859 1.00 12.21 C ATOM 1565 C ASN B 18 17.385 6.093 -7.263 1.00 52.52 C ATOM 1566 O ASN B 18 18.202 6.897 -7.725 1.00 44.31 O ATOM 1567 CB ASN B 18 17.702 5.815 -4.735 1.00 72.14 C ATOM 1568 CG ASN B 18 17.310 6.231 -3.303 1.00 45.45 C ATOM 1569 OD1 ASN B 18 16.029 6.291 -2.988 1.00 72.02 O flip ATOM 1570 ND2 ASN B 18 18.171 6.475 -2.461 1.00 41.23 N flip ATOM 0 H ASN B 18 15.396 4.886 -5.114 1.00 41.20 H new ATOM 0 HA ASN B 18 16.605 7.400 -5.726 1.00 12.21 H new ATOM 0 HB2 ASN B 18 17.741 4.727 -4.782 1.00 72.14 H new ATOM 0 HB3 ASN B 18 18.709 6.179 -4.940 1.00 72.14 H new ATOM 0 HD21 ASN B 18 19.158 6.426 -2.712 1.00 41.23 H new ATOM 0 HD22 ASN B 18 17.898 6.726 -1.511 1.00 41.23 H new ATOM 1577 N GLU B 19 16.995 4.987 -7.926 1.00 61.04 N ATOM 1578 CA GLU B 19 17.407 4.681 -9.319 1.00 13.40 C ATOM 1579 C GLU B 19 16.656 5.601 -10.325 1.00 33.23 C ATOM 1580 O GLU B 19 17.267 6.182 -11.232 1.00 44.40 O ATOM 1581 CB GLU B 19 17.109 3.190 -9.645 1.00 13.32 C ATOM 1582 CG GLU B 19 17.834 2.158 -8.752 1.00 32.02 C ATOM 1583 CD GLU B 19 19.338 2.009 -9.048 1.00 54.52 C ATOM 1584 OE1 GLU B 19 20.159 2.734 -8.439 1.00 11.55 O ATOM 1585 OE2 GLU B 19 19.703 1.155 -9.883 1.00 50.34 O ATOM 0 H GLU B 19 16.386 4.279 -7.516 1.00 61.04 H new ATOM 0 HA GLU B 19 18.478 4.863 -9.412 1.00 13.40 H new ATOM 0 HB2 GLU B 19 16.035 3.025 -9.562 1.00 13.32 H new ATOM 0 HB3 GLU B 19 17.381 3.001 -10.683 1.00 13.32 H new ATOM 0 HG2 GLU B 19 17.708 2.446 -7.708 1.00 32.02 H new ATOM 0 HG3 GLU B 19 17.354 1.187 -8.875 1.00 32.02 H new ATOM 1592 N ALA B 20 15.317 5.712 -10.138 1.00 41.34 N ATOM 1593 CA ALA B 20 14.421 6.543 -10.983 1.00 64.41 C ATOM 1594 C ALA B 20 13.031 6.706 -10.308 1.00 32.21 C ATOM 1595 O ALA B 20 12.241 5.757 -10.258 1.00 51.42 O ATOM 1596 CB ALA B 20 14.262 5.933 -12.397 1.00 71.44 C ATOM 0 H ALA B 20 14.824 5.223 -9.390 1.00 41.34 H new ATOM 0 HA ALA B 20 14.878 7.527 -11.087 1.00 64.41 H new ATOM 0 HB1 ALA B 20 13.601 6.563 -12.993 1.00 71.44 H new ATOM 0 HB2 ALA B 20 15.238 5.873 -12.879 1.00 71.44 H new ATOM 0 HB3 ALA B 20 13.835 4.933 -12.316 1.00 71.44 H new ATOM 1602 N ASP B 21 12.752 7.906 -9.772 1.00 53.05 N ATOM 1603 CA ASP B 21 11.465 8.226 -9.106 1.00 15.24 C ATOM 1604 C ASP B 21 10.462 8.917 -10.072 1.00 10.03 C ATOM 1605 O ASP B 21 10.778 9.178 -11.241 1.00 34.01 O ATOM 1606 CB ASP B 21 11.739 9.113 -7.871 1.00 54.42 C ATOM 1607 CG ASP B 21 12.365 10.473 -8.222 1.00 70.44 C ATOM 1608 OD1 ASP B 21 13.576 10.518 -8.538 1.00 31.14 O ATOM 1609 OD2 ASP B 21 11.646 11.498 -8.199 1.00 72.43 O ATOM 0 H ASP B 21 13.409 8.686 -9.785 1.00 53.05 H new ATOM 0 HA ASP B 21 11.000 7.292 -8.791 1.00 15.24 H new ATOM 0 HB2 ASP B 21 10.803 9.279 -7.338 1.00 54.42 H new ATOM 0 HB3 ASP B 21 12.403 8.580 -7.191 1.00 54.42 H new ATOM 1614 N GLY B 22 9.258 9.239 -9.551 1.00 1.24 N ATOM 1615 CA GLY B 22 8.176 9.819 -10.365 1.00 53.22 C ATOM 1616 C GLY B 22 7.492 8.781 -11.253 1.00 33.23 C ATOM 1617 O GLY B 22 7.132 9.062 -12.399 1.00 34.15 O ATOM 0 H GLY B 22 9.014 9.106 -8.570 1.00 1.24 H new ATOM 0 HA2 GLY B 22 7.436 10.275 -9.708 1.00 53.22 H new ATOM 0 HA3 GLY B 22 8.582 10.615 -10.989 1.00 53.22 H new ATOM 1621 N ILE B 23 7.302 7.576 -10.695 1.00 45.30 N ATOM 1622 CA ILE B 23 6.811 6.389 -11.435 1.00 34.23 C ATOM 1623 C ILE B 23 5.541 5.805 -10.758 1.00 63.13 C ATOM 1624 O ILE B 23 5.323 6.003 -9.564 1.00 35.35 O ATOM 1625 CB ILE B 23 7.968 5.308 -11.530 1.00 44.42 C ATOM 1626 CG1 ILE B 23 7.563 4.094 -12.432 1.00 62.34 C ATOM 1627 CG2 ILE B 23 8.423 4.836 -10.122 1.00 42.00 C ATOM 1628 CD1 ILE B 23 8.672 3.082 -12.679 1.00 50.30 C ATOM 0 H ILE B 23 7.485 7.390 -9.709 1.00 45.30 H new ATOM 0 HA ILE B 23 6.530 6.686 -12.446 1.00 34.23 H new ATOM 0 HB ILE B 23 8.818 5.795 -12.008 1.00 44.42 H new ATOM 0 HG12 ILE B 23 6.720 3.581 -11.969 1.00 62.34 H new ATOM 0 HG13 ILE B 23 7.217 4.474 -13.393 1.00 62.34 H new ATOM 0 HG21 ILE B 23 9.216 4.096 -10.225 1.00 42.00 H new ATOM 0 HG22 ILE B 23 8.794 5.689 -9.555 1.00 42.00 H new ATOM 0 HG23 ILE B 23 7.578 4.391 -9.597 1.00 42.00 H new ATOM 0 HD11 ILE B 23 8.297 2.279 -13.313 1.00 50.30 H new ATOM 0 HD12 ILE B 23 9.510 3.574 -13.174 1.00 50.30 H new ATOM 0 HD13 ILE B 23 9.005 2.668 -11.727 1.00 50.30 H new ATOM 1640 N SER B 24 4.683 5.126 -11.539 1.00 62.21 N ATOM 1641 CA SER B 24 3.467 4.456 -11.007 1.00 63.12 C ATOM 1642 C SER B 24 3.808 3.087 -10.368 1.00 75.20 C ATOM 1643 O SER B 24 4.757 2.422 -10.791 1.00 3.35 O ATOM 1644 CB SER B 24 2.420 4.276 -12.132 1.00 3.24 C ATOM 1645 OG SER B 24 2.061 5.525 -12.694 1.00 21.12 O ATOM 0 H SER B 24 4.804 5.022 -12.547 1.00 62.21 H new ATOM 0 HA SER B 24 3.048 5.093 -10.228 1.00 63.12 H new ATOM 0 HB2 SER B 24 2.823 3.626 -12.909 1.00 3.24 H new ATOM 0 HB3 SER B 24 1.533 3.784 -11.733 1.00 3.24 H new ATOM 0 HG SER B 24 1.412 5.385 -13.415 1.00 21.12 H new ATOM 1651 N ILE B 25 2.986 2.676 -9.373 1.00 64.53 N ATOM 1652 CA ILE B 25 3.151 1.405 -8.608 1.00 21.42 C ATOM 1653 C ILE B 25 3.320 0.120 -9.506 1.00 74.10 C ATOM 1654 O ILE B 25 4.249 -0.654 -9.256 1.00 52.10 O ATOM 1655 CB ILE B 25 1.945 1.199 -7.597 1.00 1.43 C ATOM 1656 CG1 ILE B 25 1.919 2.351 -6.530 1.00 42.35 C ATOM 1657 CG2 ILE B 25 1.965 -0.203 -6.926 1.00 24.13 C ATOM 1658 CD1 ILE B 25 0.731 2.322 -5.565 1.00 41.30 C ATOM 0 H ILE B 25 2.178 3.221 -9.071 1.00 64.53 H new ATOM 0 HA ILE B 25 4.087 1.519 -8.062 1.00 21.42 H new ATOM 0 HB ILE B 25 1.022 1.246 -8.175 1.00 1.43 H new ATOM 0 HG12 ILE B 25 2.840 2.306 -5.948 1.00 42.35 H new ATOM 0 HG13 ILE B 25 1.918 3.308 -7.052 1.00 42.35 H new ATOM 0 HG21 ILE B 25 1.119 -0.292 -6.244 1.00 24.13 H new ATOM 0 HG22 ILE B 25 1.896 -0.974 -7.693 1.00 24.13 H new ATOM 0 HG23 ILE B 25 2.894 -0.327 -6.370 1.00 24.13 H new ATOM 0 HD11 ILE B 25 0.807 3.158 -4.870 1.00 41.30 H new ATOM 0 HD12 ILE B 25 -0.198 2.402 -6.129 1.00 41.30 H new ATOM 0 HD13 ILE B 25 0.737 1.385 -5.008 1.00 41.30 H new ATOM 1670 N PRO B 26 2.450 -0.149 -10.560 1.00 1.33 N ATOM 1671 CA PRO B 26 2.558 -1.399 -11.366 1.00 71.22 C ATOM 1672 C PRO B 26 3.844 -1.487 -12.232 1.00 51.01 C ATOM 1673 O PRO B 26 4.361 -2.579 -12.463 1.00 55.02 O ATOM 1674 CB PRO B 26 1.277 -1.375 -12.245 1.00 35.25 C ATOM 1675 CG PRO B 26 0.948 0.075 -12.379 1.00 13.32 C ATOM 1676 CD PRO B 26 1.302 0.686 -11.038 1.00 51.31 C ATOM 0 HA PRO B 26 2.634 -2.277 -10.724 1.00 71.22 H new ATOM 0 HB2 PRO B 26 1.453 -1.834 -13.218 1.00 35.25 H new ATOM 0 HB3 PRO B 26 0.462 -1.926 -11.775 1.00 35.25 H new ATOM 0 HG2 PRO B 26 1.519 0.536 -13.185 1.00 13.32 H new ATOM 0 HG3 PRO B 26 -0.107 0.220 -12.612 1.00 13.32 H new ATOM 0 HD2 PRO B 26 1.583 1.734 -11.137 1.00 51.31 H new ATOM 0 HD3 PRO B 26 0.462 0.646 -10.345 1.00 51.31 H new ATOM 1684 N GLU B 27 4.360 -0.326 -12.671 1.00 33.30 N ATOM 1685 CA GLU B 27 5.578 -0.231 -13.516 1.00 31.23 C ATOM 1686 C GLU B 27 6.836 -0.444 -12.663 1.00 30.11 C ATOM 1687 O GLU B 27 7.775 -1.155 -13.039 1.00 11.12 O ATOM 1688 CB GLU B 27 5.619 1.162 -14.188 1.00 12.01 C ATOM 1689 CG GLU B 27 4.405 1.466 -15.090 1.00 53.34 C ATOM 1690 CD GLU B 27 4.177 0.399 -16.187 1.00 13.52 C ATOM 1691 OE1 GLU B 27 4.930 0.386 -17.186 1.00 34.14 O ATOM 1692 OE2 GLU B 27 3.252 -0.438 -16.048 1.00 60.53 O ATOM 0 H GLU B 27 3.947 0.581 -12.452 1.00 33.30 H new ATOM 0 HA GLU B 27 5.549 -1.006 -14.282 1.00 31.23 H new ATOM 0 HB2 GLU B 27 5.681 1.925 -13.412 1.00 12.01 H new ATOM 0 HB3 GLU B 27 6.528 1.239 -14.784 1.00 12.01 H new ATOM 0 HG2 GLU B 27 3.510 1.538 -14.472 1.00 53.34 H new ATOM 0 HG3 GLU B 27 4.546 2.438 -15.562 1.00 53.34 H new ATOM 1699 N LEU B 28 6.809 0.213 -11.509 1.00 25.05 N ATOM 1700 CA LEU B 28 7.777 0.055 -10.416 1.00 52.44 C ATOM 1701 C LEU B 28 7.863 -1.427 -9.947 1.00 23.14 C ATOM 1702 O LEU B 28 8.954 -1.945 -9.696 1.00 72.42 O ATOM 1703 CB LEU B 28 7.297 0.996 -9.287 1.00 12.30 C ATOM 1704 CG LEU B 28 8.068 0.996 -7.944 1.00 62.31 C ATOM 1705 CD1 LEU B 28 9.541 1.428 -8.112 1.00 61.34 C ATOM 1706 CD2 LEU B 28 7.314 1.883 -6.929 1.00 31.52 C ATOM 0 H LEU B 28 6.085 0.899 -11.295 1.00 25.05 H new ATOM 0 HA LEU B 28 8.787 0.315 -10.733 1.00 52.44 H new ATOM 0 HB2 LEU B 28 7.311 2.014 -9.676 1.00 12.30 H new ATOM 0 HB3 LEU B 28 6.257 0.751 -9.072 1.00 12.30 H new ATOM 0 HG LEU B 28 8.106 -0.025 -7.563 1.00 62.31 H new ATOM 0 HD11 LEU B 28 10.038 1.412 -7.142 1.00 61.34 H new ATOM 0 HD12 LEU B 28 10.047 0.741 -8.790 1.00 61.34 H new ATOM 0 HD13 LEU B 28 9.580 2.437 -8.522 1.00 61.34 H new ATOM 0 HD21 LEU B 28 7.851 1.888 -5.981 1.00 31.52 H new ATOM 0 HD22 LEU B 28 7.248 2.901 -7.314 1.00 31.52 H new ATOM 0 HD23 LEU B 28 6.310 1.487 -6.775 1.00 31.52 H new ATOM 1718 N ALA B 29 6.687 -2.090 -9.880 1.00 51.21 N ATOM 1719 CA ALA B 29 6.559 -3.526 -9.515 1.00 14.13 C ATOM 1720 C ALA B 29 7.309 -4.456 -10.498 1.00 23.51 C ATOM 1721 O ALA B 29 7.923 -5.447 -10.086 1.00 65.24 O ATOM 1722 CB ALA B 29 5.076 -3.922 -9.445 1.00 2.02 C ATOM 0 H ALA B 29 5.791 -1.644 -10.078 1.00 51.21 H new ATOM 0 HA ALA B 29 7.021 -3.651 -8.536 1.00 14.13 H new ATOM 0 HB1 ALA B 29 4.993 -4.975 -9.177 1.00 2.02 H new ATOM 0 HB2 ALA B 29 4.573 -3.315 -8.692 1.00 2.02 H new ATOM 0 HB3 ALA B 29 4.609 -3.757 -10.416 1.00 2.02 H new ATOM 1728 N ARG B 30 7.256 -4.107 -11.799 1.00 4.30 N ATOM 1729 CA ARG B 30 7.954 -4.854 -12.874 1.00 74.12 C ATOM 1730 C ARG B 30 9.487 -4.799 -12.670 1.00 71.42 C ATOM 1731 O ARG B 30 10.177 -5.816 -12.776 1.00 22.15 O ATOM 1732 CB ARG B 30 7.587 -4.265 -14.266 1.00 70.43 C ATOM 1733 CG ARG B 30 6.076 -4.214 -14.571 1.00 43.31 C ATOM 1734 CD ARG B 30 5.421 -5.606 -14.651 1.00 4.24 C ATOM 1735 NE ARG B 30 5.886 -6.367 -15.827 1.00 13.02 N ATOM 1736 CZ ARG B 30 5.121 -6.801 -16.810 1.00 4.41 C ATOM 1737 NH1 ARG B 30 3.839 -6.589 -16.810 1.00 75.44 N ATOM 1738 NH2 ARG B 30 5.647 -7.445 -17.791 1.00 42.32 N ATOM 0 H ARG B 30 6.730 -3.301 -12.138 1.00 4.30 H new ATOM 0 HA ARG B 30 7.632 -5.894 -12.830 1.00 74.12 H new ATOM 0 HB2 ARG B 30 7.991 -3.255 -14.335 1.00 70.43 H new ATOM 0 HB3 ARG B 30 8.079 -4.859 -15.037 1.00 70.43 H new ATOM 0 HG2 ARG B 30 5.576 -3.629 -13.799 1.00 43.31 H new ATOM 0 HG3 ARG B 30 5.921 -3.693 -15.516 1.00 43.31 H new ATOM 0 HD2 ARG B 30 5.647 -6.166 -13.744 1.00 4.24 H new ATOM 0 HD3 ARG B 30 4.338 -5.495 -14.696 1.00 4.24 H new ATOM 0 HE ARG B 30 6.883 -6.575 -15.884 1.00 13.02 H new ATOM 0 HH11 ARG B 30 3.407 -6.078 -16.040 1.00 75.44 H new ATOM 0 HH12 ARG B 30 3.265 -6.933 -17.580 1.00 75.44 H new ATOM 0 HH21 ARG B 30 6.652 -7.618 -17.807 1.00 42.32 H new ATOM 0 HH22 ARG B 30 5.059 -7.782 -18.553 1.00 42.32 H new ATOM 1752 N LYS B 31 9.983 -3.590 -12.340 1.00 3.32 N ATOM 1753 CA LYS B 31 11.426 -3.317 -12.134 1.00 51.41 C ATOM 1754 C LYS B 31 11.976 -4.042 -10.882 1.00 51.02 C ATOM 1755 O LYS B 31 13.068 -4.624 -10.918 1.00 13.44 O ATOM 1756 CB LYS B 31 11.653 -1.787 -12.013 1.00 2.45 C ATOM 1757 CG LYS B 31 11.166 -0.981 -13.236 1.00 75.41 C ATOM 1758 CD LYS B 31 11.345 0.554 -13.090 1.00 21.03 C ATOM 1759 CE LYS B 31 12.818 1.032 -13.100 1.00 52.32 C ATOM 1760 NZ LYS B 31 13.561 0.746 -11.838 1.00 34.11 N ATOM 0 H LYS B 31 9.393 -2.768 -12.207 1.00 3.32 H new ATOM 0 HA LYS B 31 11.970 -3.702 -12.997 1.00 51.41 H new ATOM 0 HB2 LYS B 31 11.139 -1.423 -11.123 1.00 2.45 H new ATOM 0 HB3 LYS B 31 12.717 -1.598 -11.867 1.00 2.45 H new ATOM 0 HG2 LYS B 31 11.708 -1.318 -14.120 1.00 75.41 H new ATOM 0 HG3 LYS B 31 10.112 -1.199 -13.406 1.00 75.41 H new ATOM 0 HD2 LYS B 31 10.810 1.048 -13.901 1.00 21.03 H new ATOM 0 HD3 LYS B 31 10.878 0.875 -12.159 1.00 21.03 H new ATOM 0 HE2 LYS B 31 13.338 0.555 -13.931 1.00 52.32 H new ATOM 0 HE3 LYS B 31 12.839 2.106 -13.286 1.00 52.32 H new ATOM 0 HZ1 LYS B 31 14.091 1.592 -11.548 1.00 34.11 H new ATOM 0 HZ2 LYS B 31 12.887 0.486 -11.090 1.00 34.11 H new ATOM 0 HZ3 LYS B 31 14.224 -0.040 -11.996 1.00 34.11 H new ATOM 1774 N VAL B 32 11.205 -4.006 -9.779 1.00 14.14 N ATOM 1775 CA VAL B 32 11.590 -4.666 -8.503 1.00 2.32 C ATOM 1776 C VAL B 32 11.228 -6.180 -8.504 1.00 43.34 C ATOM 1777 O VAL B 32 11.543 -6.901 -7.548 1.00 44.11 O ATOM 1778 CB VAL B 32 10.945 -3.932 -7.268 1.00 63.04 C ATOM 1779 CG1 VAL B 32 11.354 -2.439 -7.243 1.00 31.11 C ATOM 1780 CG2 VAL B 32 9.403 -4.094 -7.232 1.00 64.13 C ATOM 0 H VAL B 32 10.306 -3.526 -9.739 1.00 14.14 H new ATOM 0 HA VAL B 32 12.674 -4.591 -8.414 1.00 2.32 H new ATOM 0 HB VAL B 32 11.333 -4.408 -6.367 1.00 63.04 H new ATOM 0 HG11 VAL B 32 10.897 -1.951 -6.382 1.00 31.11 H new ATOM 0 HG12 VAL B 32 12.439 -2.360 -7.172 1.00 31.11 H new ATOM 0 HG13 VAL B 32 11.014 -1.953 -8.158 1.00 31.11 H new ATOM 0 HG21 VAL B 32 9.002 -3.571 -6.363 1.00 64.13 H new ATOM 0 HG22 VAL B 32 8.972 -3.672 -8.140 1.00 64.13 H new ATOM 0 HG23 VAL B 32 9.150 -5.152 -7.167 1.00 64.13 H new ATOM 1790 N ASN B 33 10.537 -6.624 -9.586 1.00 5.45 N ATOM 1791 CA ASN B 33 10.186 -8.049 -9.864 1.00 40.44 C ATOM 1792 C ASN B 33 9.120 -8.614 -8.866 1.00 23.35 C ATOM 1793 O ASN B 33 8.844 -9.820 -8.840 1.00 60.45 O ATOM 1794 CB ASN B 33 11.483 -8.932 -9.928 1.00 43.22 C ATOM 1795 CG ASN B 33 11.288 -10.340 -10.521 1.00 13.24 C ATOM 1796 OD1 ASN B 33 10.413 -10.490 -11.503 1.00 52.34 O flip ATOM 1797 ND2 ASN B 33 11.941 -11.293 -10.107 1.00 51.23 N flip ATOM 0 H ASN B 33 10.199 -5.989 -10.309 1.00 5.45 H new ATOM 0 HA ASN B 33 9.710 -8.088 -10.844 1.00 40.44 H new ATOM 0 HB2 ASN B 33 12.232 -8.406 -10.520 1.00 43.22 H new ATOM 0 HB3 ASN B 33 11.885 -9.032 -8.920 1.00 43.22 H new ATOM 0 HD21 ASN B 33 12.611 -11.161 -9.350 1.00 51.23 H new ATOM 0 HD22 ASN B 33 11.813 -12.217 -10.520 1.00 51.23 H new ATOM 1804 N LEU B 34 8.495 -7.721 -8.075 1.00 45.53 N ATOM 1805 CA LEU B 34 7.410 -8.082 -7.129 1.00 53.40 C ATOM 1806 C LEU B 34 6.029 -7.901 -7.811 1.00 30.32 C ATOM 1807 O LEU B 34 5.925 -7.288 -8.882 1.00 32.45 O ATOM 1808 CB LEU B 34 7.495 -7.199 -5.844 1.00 71.45 C ATOM 1809 CG LEU B 34 8.871 -7.182 -5.093 1.00 51.32 C ATOM 1810 CD1 LEU B 34 8.817 -6.276 -3.835 1.00 13.40 C ATOM 1811 CD2 LEU B 34 9.345 -8.610 -4.744 1.00 14.50 C ATOM 0 H LEU B 34 8.725 -6.727 -8.070 1.00 45.53 H new ATOM 0 HA LEU B 34 7.528 -9.127 -6.842 1.00 53.40 H new ATOM 0 HB2 LEU B 34 7.244 -6.174 -6.118 1.00 71.45 H new ATOM 0 HB3 LEU B 34 6.730 -7.539 -5.146 1.00 71.45 H new ATOM 0 HG LEU B 34 9.608 -6.754 -5.772 1.00 51.32 H new ATOM 0 HD11 LEU B 34 9.787 -6.286 -3.337 1.00 13.40 H new ATOM 0 HD12 LEU B 34 8.572 -5.256 -4.131 1.00 13.40 H new ATOM 0 HD13 LEU B 34 8.054 -6.648 -3.151 1.00 13.40 H new ATOM 0 HD21 LEU B 34 10.302 -8.559 -4.224 1.00 14.50 H new ATOM 0 HD22 LEU B 34 8.608 -9.091 -4.101 1.00 14.50 H new ATOM 0 HD23 LEU B 34 9.460 -9.189 -5.660 1.00 14.50 H new ATOM 1823 N SER B 35 4.970 -8.459 -7.198 1.00 33.12 N ATOM 1824 CA SER B 35 3.574 -8.175 -7.615 1.00 0.13 C ATOM 1825 C SER B 35 3.216 -6.694 -7.345 1.00 31.42 C ATOM 1826 O SER B 35 3.798 -6.057 -6.456 1.00 61.32 O ATOM 1827 CB SER B 35 2.576 -9.096 -6.868 1.00 2.12 C ATOM 1828 OG SER B 35 2.851 -10.471 -7.107 1.00 72.44 O ATOM 0 H SER B 35 5.047 -9.108 -6.415 1.00 33.12 H new ATOM 0 HA SER B 35 3.500 -8.371 -8.685 1.00 0.13 H new ATOM 0 HB2 SER B 35 2.626 -8.895 -5.798 1.00 2.12 H new ATOM 0 HB3 SER B 35 1.560 -8.867 -7.188 1.00 2.12 H new ATOM 0 HG SER B 35 2.204 -11.023 -6.620 1.00 72.44 H new ATOM 1834 N VAL B 36 2.262 -6.163 -8.127 1.00 44.42 N ATOM 1835 CA VAL B 36 1.738 -4.779 -7.980 1.00 42.23 C ATOM 1836 C VAL B 36 1.334 -4.458 -6.516 1.00 0.14 C ATOM 1837 O VAL B 36 1.782 -3.467 -5.938 1.00 41.21 O ATOM 1838 CB VAL B 36 0.494 -4.583 -8.926 1.00 43.33 C ATOM 1839 CG1 VAL B 36 -0.268 -3.266 -8.643 1.00 33.15 C ATOM 1840 CG2 VAL B 36 0.905 -4.701 -10.414 1.00 45.04 C ATOM 0 H VAL B 36 1.823 -6.680 -8.889 1.00 44.42 H new ATOM 0 HA VAL B 36 2.537 -4.092 -8.259 1.00 42.23 H new ATOM 0 HB VAL B 36 -0.205 -5.390 -8.706 1.00 43.33 H new ATOM 0 HG11 VAL B 36 -1.115 -3.183 -9.323 1.00 33.15 H new ATOM 0 HG12 VAL B 36 -0.628 -3.268 -7.614 1.00 33.15 H new ATOM 0 HG13 VAL B 36 0.402 -2.419 -8.792 1.00 33.15 H new ATOM 0 HG21 VAL B 36 0.028 -4.562 -11.046 1.00 45.04 H new ATOM 0 HG22 VAL B 36 1.646 -3.937 -10.648 1.00 45.04 H new ATOM 0 HG23 VAL B 36 1.331 -5.688 -10.597 1.00 45.04 H new ATOM 1850 N GLU B 37 0.503 -5.339 -5.948 1.00 10.55 N ATOM 1851 CA GLU B 37 -0.074 -5.188 -4.591 1.00 51.34 C ATOM 1852 C GLU B 37 1.004 -5.393 -3.489 1.00 1.53 C ATOM 1853 O GLU B 37 0.915 -4.808 -2.404 1.00 34.45 O ATOM 1854 CB GLU B 37 -1.267 -6.169 -4.393 1.00 3.14 C ATOM 1855 CG GLU B 37 -2.398 -6.073 -5.462 1.00 53.24 C ATOM 1856 CD GLU B 37 -2.050 -6.686 -6.838 1.00 74.34 C ATOM 1857 OE1 GLU B 37 -1.298 -7.690 -6.890 1.00 22.44 O ATOM 1858 OE2 GLU B 37 -2.514 -6.161 -7.876 1.00 53.20 O ATOM 0 H GLU B 37 0.203 -6.193 -6.418 1.00 10.55 H new ATOM 0 HA GLU B 37 -0.447 -4.168 -4.497 1.00 51.34 H new ATOM 0 HB2 GLU B 37 -0.880 -7.188 -4.389 1.00 3.14 H new ATOM 0 HB3 GLU B 37 -1.703 -5.990 -3.410 1.00 3.14 H new ATOM 0 HG2 GLU B 37 -3.287 -6.570 -5.074 1.00 53.24 H new ATOM 0 HG3 GLU B 37 -2.656 -5.023 -5.603 1.00 53.24 H new ATOM 1865 N SER B 38 2.014 -6.243 -3.781 1.00 73.41 N ATOM 1866 CA SER B 38 3.203 -6.447 -2.902 1.00 42.33 C ATOM 1867 C SER B 38 4.044 -5.153 -2.808 1.00 31.53 C ATOM 1868 O SER B 38 4.496 -4.762 -1.723 1.00 22.13 O ATOM 1869 CB SER B 38 4.086 -7.612 -3.436 1.00 25.25 C ATOM 1870 OG SER B 38 3.340 -8.816 -3.541 1.00 43.13 O ATOM 0 H SER B 38 2.034 -6.809 -4.629 1.00 73.41 H new ATOM 0 HA SER B 38 2.843 -6.704 -1.906 1.00 42.33 H new ATOM 0 HB2 SER B 38 4.492 -7.346 -4.412 1.00 25.25 H new ATOM 0 HB3 SER B 38 4.934 -7.764 -2.769 1.00 25.25 H new ATOM 0 HG SER B 38 3.918 -9.531 -3.880 1.00 43.13 H new ATOM 1876 N THR B 39 4.210 -4.495 -3.967 1.00 10.45 N ATOM 1877 CA THR B 39 4.956 -3.225 -4.100 1.00 13.34 C ATOM 1878 C THR B 39 4.187 -2.054 -3.434 1.00 71.24 C ATOM 1879 O THR B 39 4.778 -1.263 -2.716 1.00 33.33 O ATOM 1880 CB THR B 39 5.239 -2.903 -5.611 1.00 75.25 C ATOM 1881 OG1 THR B 39 5.990 -3.982 -6.193 1.00 70.43 O ATOM 1882 CG2 THR B 39 6.013 -1.589 -5.819 1.00 5.14 C ATOM 0 H THR B 39 3.827 -4.831 -4.851 1.00 10.45 H new ATOM 0 HA THR B 39 5.910 -3.343 -3.585 1.00 13.34 H new ATOM 0 HB THR B 39 4.269 -2.786 -6.095 1.00 75.25 H new ATOM 0 HG1 THR B 39 5.399 -4.750 -6.340 1.00 70.43 H new ATOM 0 HG21 THR B 39 6.175 -1.427 -6.885 1.00 5.14 H new ATOM 0 HG22 THR B 39 5.438 -0.759 -5.409 1.00 5.14 H new ATOM 0 HG23 THR B 39 6.975 -1.649 -5.311 1.00 5.14 H new ATOM 1890 N ALA B 40 2.853 -1.991 -3.653 1.00 34.35 N ATOM 1891 CA ALA B 40 1.961 -0.929 -3.087 1.00 31.23 C ATOM 1892 C ALA B 40 1.941 -0.949 -1.536 1.00 75.33 C ATOM 1893 O ALA B 40 1.989 0.096 -0.876 1.00 73.45 O ATOM 1894 CB ALA B 40 0.533 -1.119 -3.630 1.00 33.20 C ATOM 0 H ALA B 40 2.355 -2.672 -4.227 1.00 34.35 H new ATOM 0 HA ALA B 40 2.356 0.039 -3.395 1.00 31.23 H new ATOM 0 HB1 ALA B 40 -0.118 -0.347 -3.219 1.00 33.20 H new ATOM 0 HB2 ALA B 40 0.544 -1.044 -4.717 1.00 33.20 H new ATOM 0 HB3 ALA B 40 0.160 -2.101 -3.338 1.00 33.20 H new ATOM 1900 N LEU B 41 1.869 -2.170 -0.989 1.00 21.51 N ATOM 1901 CA LEU B 41 1.911 -2.445 0.460 1.00 61.13 C ATOM 1902 C LEU B 41 3.296 -2.037 1.050 1.00 62.34 C ATOM 1903 O LEU B 41 3.377 -1.481 2.154 1.00 74.50 O ATOM 1904 CB LEU B 41 1.534 -3.964 0.647 1.00 74.30 C ATOM 1905 CG LEU B 41 1.649 -4.654 2.053 1.00 50.10 C ATOM 1906 CD1 LEU B 41 3.083 -5.128 2.329 1.00 3.33 C ATOM 1907 CD2 LEU B 41 1.108 -3.768 3.196 1.00 61.33 C ATOM 0 H LEU B 41 1.778 -3.016 -1.552 1.00 21.51 H new ATOM 0 HA LEU B 41 1.193 -1.848 1.022 1.00 61.13 H new ATOM 0 HB2 LEU B 41 0.502 -4.081 0.316 1.00 74.30 H new ATOM 0 HB3 LEU B 41 2.156 -4.535 -0.042 1.00 74.30 H new ATOM 0 HG LEU B 41 1.010 -5.536 2.022 1.00 50.10 H new ATOM 0 HD11 LEU B 41 3.127 -5.601 3.310 1.00 3.33 H new ATOM 0 HD12 LEU B 41 3.382 -5.847 1.566 1.00 3.33 H new ATOM 0 HD13 LEU B 41 3.759 -4.273 2.307 1.00 3.33 H new ATOM 0 HD21 LEU B 41 1.212 -4.294 4.145 1.00 61.33 H new ATOM 0 HD22 LEU B 41 1.674 -2.837 3.233 1.00 61.33 H new ATOM 0 HD23 LEU B 41 0.056 -3.546 3.018 1.00 61.33 H new ATOM 1919 N ALA B 42 4.372 -2.287 0.278 1.00 44.50 N ATOM 1920 CA ALA B 42 5.757 -1.913 0.656 1.00 61.34 C ATOM 1921 C ALA B 42 5.982 -0.368 0.596 1.00 30.12 C ATOM 1922 O ALA B 42 6.727 0.192 1.409 1.00 74.40 O ATOM 1923 CB ALA B 42 6.757 -2.656 -0.245 1.00 33.31 C ATOM 0 H ALA B 42 4.309 -2.754 -0.627 1.00 44.50 H new ATOM 0 HA ALA B 42 5.921 -2.212 1.691 1.00 61.34 H new ATOM 0 HB1 ALA B 42 7.774 -2.380 0.035 1.00 33.31 H new ATOM 0 HB2 ALA B 42 6.627 -3.731 -0.124 1.00 33.31 H new ATOM 0 HB3 ALA B 42 6.580 -2.384 -1.286 1.00 33.31 H new ATOM 1929 N VAL B 43 5.324 0.307 -0.378 1.00 72.41 N ATOM 1930 CA VAL B 43 5.308 1.793 -0.481 1.00 12.43 C ATOM 1931 C VAL B 43 4.606 2.421 0.755 1.00 71.32 C ATOM 1932 O VAL B 43 5.017 3.479 1.239 1.00 25.13 O ATOM 1933 CB VAL B 43 4.602 2.278 -1.817 1.00 64.20 C ATOM 1934 CG1 VAL B 43 4.419 3.819 -1.860 1.00 2.23 C ATOM 1935 CG2 VAL B 43 5.377 1.801 -3.070 1.00 23.51 C ATOM 0 H VAL B 43 4.791 -0.158 -1.113 1.00 72.41 H new ATOM 0 HA VAL B 43 6.344 2.130 -0.508 1.00 12.43 H new ATOM 0 HB VAL B 43 3.611 1.824 -1.823 1.00 64.20 H new ATOM 0 HG11 VAL B 43 3.932 4.102 -2.793 1.00 2.23 H new ATOM 0 HG12 VAL B 43 3.803 4.136 -1.019 1.00 2.23 H new ATOM 0 HG13 VAL B 43 5.394 4.303 -1.799 1.00 2.23 H new ATOM 0 HG21 VAL B 43 4.867 2.150 -3.968 1.00 23.51 H new ATOM 0 HG22 VAL B 43 6.389 2.205 -3.047 1.00 23.51 H new ATOM 0 HG23 VAL B 43 5.421 0.712 -3.078 1.00 23.51 H new ATOM 1945 N GLY B 44 3.561 1.735 1.261 1.00 5.30 N ATOM 1946 CA GLY B 44 2.877 2.137 2.505 1.00 33.21 C ATOM 1947 C GLY B 44 3.785 2.078 3.750 1.00 44.02 C ATOM 1948 O GLY B 44 3.624 2.869 4.690 1.00 2.22 O ATOM 0 H GLY B 44 3.172 0.898 0.825 1.00 5.30 H new ATOM 0 HA2 GLY B 44 2.496 3.152 2.390 1.00 33.21 H new ATOM 0 HA3 GLY B 44 2.015 1.489 2.662 1.00 33.21 H new ATOM 1952 N TRP B 45 4.752 1.136 3.744 1.00 41.35 N ATOM 1953 CA TRP B 45 5.762 1.001 4.822 1.00 62.43 C ATOM 1954 C TRP B 45 6.834 2.125 4.737 1.00 60.21 C ATOM 1955 O TRP B 45 7.397 2.543 5.751 1.00 61.12 O ATOM 1956 CB TRP B 45 6.428 -0.400 4.767 1.00 31.05 C ATOM 1957 CG TRP B 45 7.151 -0.779 6.045 1.00 72.24 C ATOM 1958 CD1 TRP B 45 8.494 -0.712 6.312 1.00 3.42 C ATOM 1959 CD2 TRP B 45 6.535 -1.265 7.244 1.00 35.41 C ATOM 1960 NE1 TRP B 45 8.739 -1.148 7.592 1.00 54.14 N ATOM 1961 CE2 TRP B 45 7.555 -1.492 8.182 1.00 30.02 C ATOM 1962 CE3 TRP B 45 5.214 -1.533 7.607 1.00 4.13 C ATOM 1963 CZ2 TRP B 45 7.296 -1.988 9.457 1.00 73.01 C ATOM 1964 CZ3 TRP B 45 4.957 -2.019 8.873 1.00 53.14 C ATOM 1965 CH2 TRP B 45 5.992 -2.240 9.787 1.00 1.03 C ATOM 0 H TRP B 45 4.857 0.450 2.997 1.00 41.35 H new ATOM 0 HA TRP B 45 5.250 1.105 5.779 1.00 62.43 H new ATOM 0 HB2 TRP B 45 5.664 -1.148 4.556 1.00 31.05 H new ATOM 0 HB3 TRP B 45 7.136 -0.424 3.938 1.00 31.05 H new ATOM 0 HD1 TRP B 45 9.248 -0.368 5.619 1.00 3.42 H new ATOM 0 HE1 TRP B 45 9.658 -1.206 8.032 1.00 54.14 H new ATOM 0 HE3 TRP B 45 4.407 -1.363 6.909 1.00 4.13 H new ATOM 0 HZ2 TRP B 45 8.096 -2.167 10.160 1.00 73.01 H new ATOM 0 HZ3 TRP B 45 3.939 -2.232 9.163 1.00 53.14 H new ATOM 0 HH2 TRP B 45 5.758 -2.617 10.772 1.00 1.03 H new ATOM 1976 N LEU B 46 7.122 2.590 3.510 1.00 42.14 N ATOM 1977 CA LEU B 46 7.989 3.769 3.269 1.00 4.15 C ATOM 1978 C LEU B 46 7.276 5.085 3.662 1.00 45.22 C ATOM 1979 O LEU B 46 7.911 6.038 4.146 1.00 4.21 O ATOM 1980 CB LEU B 46 8.411 3.806 1.783 1.00 61.43 C ATOM 1981 CG LEU B 46 9.283 2.611 1.307 1.00 65.14 C ATOM 1982 CD1 LEU B 46 9.528 2.669 -0.217 1.00 5.13 C ATOM 1983 CD2 LEU B 46 10.606 2.548 2.108 1.00 32.02 C ATOM 0 H LEU B 46 6.764 2.164 2.655 1.00 42.14 H new ATOM 0 HA LEU B 46 8.876 3.678 3.895 1.00 4.15 H new ATOM 0 HB2 LEU B 46 7.512 3.845 1.168 1.00 61.43 H new ATOM 0 HB3 LEU B 46 8.961 4.730 1.602 1.00 61.43 H new ATOM 0 HG LEU B 46 8.738 1.688 1.503 1.00 65.14 H new ATOM 0 HD11 LEU B 46 10.141 1.820 -0.520 1.00 5.13 H new ATOM 0 HD12 LEU B 46 8.573 2.632 -0.741 1.00 5.13 H new ATOM 0 HD13 LEU B 46 10.043 3.596 -0.468 1.00 5.13 H new ATOM 0 HD21 LEU B 46 11.202 1.705 1.760 1.00 32.02 H new ATOM 0 HD22 LEU B 46 11.164 3.472 1.961 1.00 32.02 H new ATOM 0 HD23 LEU B 46 10.384 2.422 3.168 1.00 32.02 H new ATOM 1995 N ALA B 47 5.949 5.126 3.410 1.00 33.11 N ATOM 1996 CA ALA B 47 5.062 6.223 3.849 1.00 4.50 C ATOM 1997 C ALA B 47 5.070 6.352 5.385 1.00 73.21 C ATOM 1998 O ALA B 47 5.065 7.467 5.913 1.00 11.22 O ATOM 1999 CB ALA B 47 3.631 6.002 3.319 1.00 62.04 C ATOM 0 H ALA B 47 5.462 4.394 2.893 1.00 33.11 H new ATOM 0 HA ALA B 47 5.438 7.158 3.434 1.00 4.50 H new ATOM 0 HB1 ALA B 47 2.990 6.819 3.651 1.00 62.04 H new ATOM 0 HB2 ALA B 47 3.647 5.973 2.229 1.00 62.04 H new ATOM 0 HB3 ALA B 47 3.243 5.058 3.701 1.00 62.04 H new ATOM 2005 N ARG B 48 5.111 5.195 6.086 1.00 42.34 N ATOM 2006 CA ARG B 48 5.300 5.131 7.559 1.00 33.53 C ATOM 2007 C ARG B 48 6.539 5.949 7.997 1.00 54.11 C ATOM 2008 O ARG B 48 6.461 6.815 8.874 1.00 4.13 O ATOM 2009 CB ARG B 48 5.500 3.646 7.979 1.00 11.33 C ATOM 2010 CG ARG B 48 5.911 3.431 9.450 1.00 2.14 C ATOM 2011 CD ARG B 48 6.294 1.971 9.776 1.00 12.13 C ATOM 2012 NE ARG B 48 6.301 1.752 11.231 1.00 41.44 N ATOM 2013 CZ ARG B 48 7.138 1.012 11.911 1.00 23.11 C ATOM 2014 NH1 ARG B 48 8.140 0.428 11.346 1.00 64.24 N ATOM 2015 NH2 ARG B 48 6.978 0.889 13.186 1.00 25.12 N ATOM 0 H ARG B 48 5.014 4.278 5.649 1.00 42.34 H new ATOM 0 HA ARG B 48 4.418 5.552 8.041 1.00 33.53 H new ATOM 0 HB2 ARG B 48 4.572 3.104 7.794 1.00 11.33 H new ATOM 0 HB3 ARG B 48 6.261 3.202 7.337 1.00 11.33 H new ATOM 0 HG2 ARG B 48 6.756 4.080 9.681 1.00 2.14 H new ATOM 0 HG3 ARG B 48 5.088 3.735 10.097 1.00 2.14 H new ATOM 0 HD2 ARG B 48 5.587 1.289 9.303 1.00 12.13 H new ATOM 0 HD3 ARG B 48 7.278 1.746 9.364 1.00 12.13 H new ATOM 0 HE ARG B 48 5.575 2.228 11.767 1.00 41.44 H new ATOM 0 HH11 ARG B 48 8.295 0.538 10.344 1.00 64.24 H new ATOM 0 HH12 ARG B 48 8.777 -0.143 11.901 1.00 64.24 H new ATOM 0 HH21 ARG B 48 6.206 1.366 13.651 1.00 25.12 H new ATOM 0 HH22 ARG B 48 7.624 0.315 13.728 1.00 25.12 H new ATOM 2029 N GLU B 49 7.661 5.679 7.321 1.00 72.14 N ATOM 2030 CA GLU B 49 8.982 6.255 7.645 1.00 23.40 C ATOM 2031 C GLU B 49 9.157 7.697 7.101 1.00 45.13 C ATOM 2032 O GLU B 49 10.205 8.316 7.319 1.00 41.54 O ATOM 2033 CB GLU B 49 10.070 5.314 7.071 1.00 42.35 C ATOM 2034 CG GLU B 49 9.931 3.839 7.505 1.00 24.23 C ATOM 2035 CD GLU B 49 10.893 2.898 6.752 1.00 62.24 C ATOM 2036 OE1 GLU B 49 10.612 2.560 5.584 1.00 0.30 O ATOM 2037 OE2 GLU B 49 11.950 2.524 7.307 1.00 21.22 O ATOM 0 H GLU B 49 7.683 5.046 6.521 1.00 72.14 H new ATOM 0 HA GLU B 49 9.073 6.333 8.728 1.00 23.40 H new ATOM 0 HB2 GLU B 49 10.039 5.364 5.983 1.00 42.35 H new ATOM 0 HB3 GLU B 49 11.049 5.680 7.379 1.00 42.35 H new ATOM 0 HG2 GLU B 49 10.119 3.761 8.576 1.00 24.23 H new ATOM 0 HG3 GLU B 49 8.905 3.511 7.337 1.00 24.23 H new ATOM 2044 N ASN B 50 8.126 8.201 6.381 1.00 60.31 N ATOM 2045 CA ASN B 50 8.069 9.585 5.834 1.00 4.54 C ATOM 2046 C ASN B 50 9.162 9.851 4.758 1.00 41.30 C ATOM 2047 O ASN B 50 9.554 10.997 4.532 1.00 52.14 O ATOM 2048 CB ASN B 50 8.131 10.646 6.987 1.00 22.35 C ATOM 2049 CG ASN B 50 7.047 10.449 8.057 1.00 2.30 C ATOM 2050 OD1 ASN B 50 5.956 9.957 7.780 1.00 34.24 O ATOM 2051 ND2 ASN B 50 7.331 10.842 9.286 1.00 24.14 N ATOM 0 H ASN B 50 7.296 7.652 6.159 1.00 60.31 H new ATOM 0 HA ASN B 50 7.109 9.686 5.328 1.00 4.54 H new ATOM 0 HB2 ASN B 50 9.111 10.599 7.461 1.00 22.35 H new ATOM 0 HB3 ASN B 50 8.031 11.643 6.559 1.00 22.35 H new ATOM 0 HD21 ASN B 50 6.638 10.739 10.027 1.00 24.14 H new ATOM 0 HD22 ASN B 50 8.243 11.248 9.494 1.00 24.14 H new ATOM 2058 N LYS B 51 9.614 8.781 4.066 1.00 3.03 N ATOM 2059 CA LYS B 51 10.725 8.854 3.078 1.00 32.32 C ATOM 2060 C LYS B 51 10.231 8.928 1.610 1.00 53.25 C ATOM 2061 O LYS B 51 11.045 8.857 0.681 1.00 5.45 O ATOM 2062 CB LYS B 51 11.651 7.616 3.244 1.00 54.22 C ATOM 2063 CG LYS B 51 12.291 7.477 4.640 1.00 12.12 C ATOM 2064 CD LYS B 51 13.290 6.297 4.731 1.00 61.10 C ATOM 2065 CE LYS B 51 12.668 4.947 4.333 1.00 22.32 C ATOM 2066 NZ LYS B 51 13.549 3.796 4.657 1.00 23.33 N ATOM 0 H LYS B 51 9.224 7.845 4.173 1.00 3.03 H new ATOM 0 HA LYS B 51 11.268 9.777 3.282 1.00 32.32 H new ATOM 0 HB2 LYS B 51 11.074 6.716 3.032 1.00 54.22 H new ATOM 0 HB3 LYS B 51 12.444 7.669 2.498 1.00 54.22 H new ATOM 0 HG2 LYS B 51 12.807 8.404 4.891 1.00 12.12 H new ATOM 0 HG3 LYS B 51 11.505 7.339 5.382 1.00 12.12 H new ATOM 0 HD2 LYS B 51 14.144 6.501 4.085 1.00 61.10 H new ATOM 0 HD3 LYS B 51 13.670 6.229 5.750 1.00 61.10 H new ATOM 0 HE2 LYS B 51 11.714 4.825 4.846 1.00 22.32 H new ATOM 0 HE3 LYS B 51 12.457 4.949 3.264 1.00 22.32 H new ATOM 0 HZ1 LYS B 51 13.457 3.070 3.918 1.00 23.33 H new ATOM 0 HZ2 LYS B 51 14.537 4.118 4.705 1.00 23.33 H new ATOM 0 HZ3 LYS B 51 13.271 3.394 5.575 1.00 23.33 H new ATOM 2080 N VAL B 52 8.903 9.038 1.393 1.00 71.21 N ATOM 2081 CA VAL B 52 8.310 9.057 0.027 1.00 30.22 C ATOM 2082 C VAL B 52 7.233 10.155 -0.138 1.00 15.21 C ATOM 2083 O VAL B 52 6.625 10.614 0.838 1.00 70.33 O ATOM 2084 CB VAL B 52 7.690 7.662 -0.368 1.00 52.21 C ATOM 2085 CG1 VAL B 52 8.777 6.562 -0.430 1.00 10.20 C ATOM 2086 CG2 VAL B 52 6.529 7.253 0.575 1.00 54.31 C ATOM 0 H VAL B 52 8.216 9.115 2.143 1.00 71.21 H new ATOM 0 HA VAL B 52 9.139 9.282 -0.644 1.00 30.22 H new ATOM 0 HB VAL B 52 7.267 7.772 -1.367 1.00 52.21 H new ATOM 0 HG11 VAL B 52 8.318 5.612 -0.705 1.00 10.20 H new ATOM 0 HG12 VAL B 52 9.526 6.832 -1.175 1.00 10.20 H new ATOM 0 HG13 VAL B 52 9.254 6.466 0.546 1.00 10.20 H new ATOM 0 HG21 VAL B 52 6.132 6.286 0.265 1.00 54.31 H new ATOM 0 HG22 VAL B 52 6.899 7.183 1.598 1.00 54.31 H new ATOM 0 HG23 VAL B 52 5.739 8.002 0.525 1.00 54.31 H new ATOM 2096 N VAL B 53 7.018 10.552 -1.406 1.00 24.15 N ATOM 2097 CA VAL B 53 5.987 11.528 -1.813 1.00 23.34 C ATOM 2098 C VAL B 53 4.885 10.798 -2.636 1.00 42.33 C ATOM 2099 O VAL B 53 5.193 10.130 -3.625 1.00 51.10 O ATOM 2100 CB VAL B 53 6.622 12.684 -2.685 1.00 70.32 C ATOM 2101 CG1 VAL B 53 5.590 13.802 -3.001 1.00 72.44 C ATOM 2102 CG2 VAL B 53 7.900 13.259 -2.014 1.00 41.10 C ATOM 0 H VAL B 53 7.565 10.198 -2.191 1.00 24.15 H new ATOM 0 HA VAL B 53 5.551 11.971 -0.918 1.00 23.34 H new ATOM 0 HB VAL B 53 6.919 12.246 -3.638 1.00 70.32 H new ATOM 0 HG11 VAL B 53 6.066 14.577 -3.602 1.00 72.44 H new ATOM 0 HG12 VAL B 53 4.752 13.378 -3.554 1.00 72.44 H new ATOM 0 HG13 VAL B 53 5.227 14.236 -2.069 1.00 72.44 H new ATOM 0 HG21 VAL B 53 8.313 14.052 -2.638 1.00 41.10 H new ATOM 0 HG22 VAL B 53 7.646 13.663 -1.034 1.00 41.10 H new ATOM 0 HG23 VAL B 53 8.639 12.466 -1.899 1.00 41.10 H new ATOM 2112 N ILE B 54 3.611 10.924 -2.216 1.00 24.22 N ATOM 2113 CA ILE B 54 2.451 10.298 -2.903 1.00 15.43 C ATOM 2114 C ILE B 54 1.590 11.419 -3.527 1.00 21.42 C ATOM 2115 O ILE B 54 0.843 12.102 -2.821 1.00 24.41 O ATOM 2116 CB ILE B 54 1.585 9.438 -1.887 1.00 51.42 C ATOM 2117 CG1 ILE B 54 2.421 8.261 -1.281 1.00 74.02 C ATOM 2118 CG2 ILE B 54 0.267 8.915 -2.525 1.00 1.20 C ATOM 2119 CD1 ILE B 54 2.858 7.206 -2.281 1.00 4.51 C ATOM 0 H ILE B 54 3.351 11.463 -1.390 1.00 24.22 H new ATOM 0 HA ILE B 54 2.810 9.624 -3.681 1.00 15.43 H new ATOM 0 HB ILE B 54 1.301 10.107 -1.075 1.00 51.42 H new ATOM 0 HG12 ILE B 54 3.308 8.674 -0.800 1.00 74.02 H new ATOM 0 HG13 ILE B 54 1.831 7.779 -0.501 1.00 74.02 H new ATOM 0 HG21 ILE B 54 -0.288 8.333 -1.789 1.00 1.20 H new ATOM 0 HG22 ILE B 54 -0.339 9.760 -2.852 1.00 1.20 H new ATOM 0 HG23 ILE B 54 0.503 8.285 -3.382 1.00 1.20 H new ATOM 0 HD11 ILE B 54 3.430 6.433 -1.768 1.00 4.51 H new ATOM 0 HD12 ILE B 54 1.979 6.759 -2.745 1.00 4.51 H new ATOM 0 HD13 ILE B 54 3.479 7.668 -3.049 1.00 4.51 H new ATOM 2131 N GLU B 55 1.692 11.601 -4.850 1.00 52.42 N ATOM 2132 CA GLU B 55 1.034 12.725 -5.553 1.00 20.03 C ATOM 2133 C GLU B 55 0.028 12.182 -6.590 1.00 44.34 C ATOM 2134 O GLU B 55 0.410 11.508 -7.554 1.00 44.14 O ATOM 2135 CB GLU B 55 2.108 13.613 -6.235 1.00 3.44 C ATOM 2136 CG GLU B 55 1.631 15.013 -6.659 1.00 41.32 C ATOM 2137 CD GLU B 55 1.222 15.929 -5.491 1.00 14.25 C ATOM 2138 OE1 GLU B 55 2.104 16.564 -4.873 1.00 63.10 O ATOM 2139 OE2 GLU B 55 0.011 16.040 -5.193 1.00 42.01 O ATOM 0 H GLU B 55 2.225 10.984 -5.463 1.00 52.42 H new ATOM 0 HA GLU B 55 0.486 13.334 -4.834 1.00 20.03 H new ATOM 0 HB2 GLU B 55 2.950 13.725 -5.552 1.00 3.44 H new ATOM 0 HB3 GLU B 55 2.480 13.092 -7.117 1.00 3.44 H new ATOM 0 HG2 GLU B 55 2.427 15.499 -7.224 1.00 41.32 H new ATOM 0 HG3 GLU B 55 0.782 14.905 -7.334 1.00 41.32 H new ATOM 2146 N ARG B 56 -1.261 12.479 -6.369 1.00 42.44 N ATOM 2147 CA ARG B 56 -2.358 11.970 -7.202 1.00 24.12 C ATOM 2148 C ARG B 56 -2.568 12.862 -8.453 1.00 54.14 C ATOM 2149 O ARG B 56 -3.045 13.998 -8.364 1.00 22.22 O ATOM 2150 CB ARG B 56 -3.649 11.850 -6.342 1.00 63.11 C ATOM 2151 CG ARG B 56 -3.494 10.887 -5.136 1.00 54.54 C ATOM 2152 CD ARG B 56 -4.765 10.781 -4.274 1.00 61.02 C ATOM 2153 NE ARG B 56 -4.591 9.812 -3.170 1.00 72.21 N ATOM 2154 CZ ARG B 56 -5.508 8.970 -2.732 1.00 55.21 C ATOM 2155 NH1 ARG B 56 -6.689 8.941 -3.263 1.00 31.44 N ATOM 2156 NH2 ARG B 56 -5.225 8.161 -1.765 1.00 52.44 N ATOM 0 H ARG B 56 -1.572 13.080 -5.606 1.00 42.44 H new ATOM 0 HA ARG B 56 -2.101 10.977 -7.570 1.00 24.12 H new ATOM 0 HB2 ARG B 56 -3.927 12.838 -5.976 1.00 63.11 H new ATOM 0 HB3 ARG B 56 -4.467 11.502 -6.973 1.00 63.11 H new ATOM 0 HG2 ARG B 56 -3.229 9.896 -5.503 1.00 54.54 H new ATOM 0 HG3 ARG B 56 -2.668 11.227 -4.512 1.00 54.54 H new ATOM 0 HD2 ARG B 56 -5.011 11.761 -3.864 1.00 61.02 H new ATOM 0 HD3 ARG B 56 -5.605 10.476 -4.898 1.00 61.02 H new ATOM 0 HE ARG B 56 -3.683 9.793 -2.707 1.00 72.21 H new ATOM 0 HH11 ARG B 56 -6.919 9.574 -4.029 1.00 31.44 H new ATOM 0 HH12 ARG B 56 -7.389 8.285 -2.915 1.00 31.44 H new ATOM 0 HH21 ARG B 56 -4.296 8.175 -1.344 1.00 52.44 H new ATOM 0 HH22 ARG B 56 -5.930 7.508 -1.423 1.00 52.44 H new ATOM 2170 N LYS B 57 -2.156 12.319 -9.608 1.00 51.25 N ATOM 2171 CA LYS B 57 -2.325 12.947 -10.941 1.00 44.32 C ATOM 2172 C LYS B 57 -3.462 12.239 -11.717 1.00 40.02 C ATOM 2173 O LYS B 57 -3.331 11.060 -12.055 1.00 14.44 O ATOM 2174 CB LYS B 57 -0.990 12.857 -11.755 1.00 11.34 C ATOM 2175 CG LYS B 57 -0.075 14.092 -11.665 1.00 33.34 C ATOM 2176 CD LYS B 57 0.457 14.375 -10.247 1.00 24.21 C ATOM 2177 CE LYS B 57 1.531 15.472 -10.256 1.00 62.01 C ATOM 2178 NZ LYS B 57 2.675 15.100 -11.133 1.00 10.32 N ATOM 0 H LYS B 57 -1.686 11.414 -9.650 1.00 51.25 H new ATOM 0 HA LYS B 57 -2.584 13.997 -10.804 1.00 44.32 H new ATOM 0 HB2 LYS B 57 -0.432 11.987 -11.409 1.00 11.34 H new ATOM 0 HB3 LYS B 57 -1.235 12.683 -12.803 1.00 11.34 H new ATOM 0 HG2 LYS B 57 0.771 13.955 -12.339 1.00 33.34 H new ATOM 0 HG3 LYS B 57 -0.624 14.965 -12.017 1.00 33.34 H new ATOM 0 HD2 LYS B 57 -0.368 14.678 -9.602 1.00 24.21 H new ATOM 0 HD3 LYS B 57 0.873 13.461 -9.825 1.00 24.21 H new ATOM 0 HE2 LYS B 57 1.094 16.409 -10.602 1.00 62.01 H new ATOM 0 HE3 LYS B 57 1.889 15.643 -9.241 1.00 62.01 H new ATOM 0 HZ1 LYS B 57 3.385 15.860 -11.119 1.00 10.32 H new ATOM 0 HZ2 LYS B 57 3.105 14.218 -10.787 1.00 10.32 H new ATOM 0 HZ3 LYS B 57 2.336 14.961 -12.106 1.00 10.32 H new ATOM 2192 N ASN B 58 -4.567 12.976 -11.983 1.00 12.03 N ATOM 2193 CA ASN B 58 -5.744 12.471 -12.748 1.00 2.30 C ATOM 2194 C ASN B 58 -6.385 11.210 -12.089 1.00 44.45 C ATOM 2195 O ASN B 58 -6.930 10.335 -12.778 1.00 35.42 O ATOM 2196 CB ASN B 58 -5.336 12.188 -14.226 1.00 25.44 C ATOM 2197 CG ASN B 58 -4.729 13.404 -14.934 1.00 2.23 C ATOM 2198 OD1 ASN B 58 -5.107 14.547 -14.687 1.00 72.13 O ATOM 2199 ND2 ASN B 58 -3.766 13.171 -15.805 1.00 52.41 N ATOM 0 H ASN B 58 -4.672 13.942 -11.674 1.00 12.03 H new ATOM 0 HA ASN B 58 -6.508 13.248 -12.733 1.00 2.30 H new ATOM 0 HB2 ASN B 58 -4.617 11.369 -14.246 1.00 25.44 H new ATOM 0 HB3 ASN B 58 -6.214 11.855 -14.780 1.00 25.44 H new ATOM 0 HD21 ASN B 58 -3.318 13.948 -16.290 1.00 52.41 H new ATOM 0 HD22 ASN B 58 -3.469 12.213 -15.993 1.00 52.41 H new ATOM 2206 N GLY B 59 -6.324 11.141 -10.741 1.00 63.32 N ATOM 2207 CA GLY B 59 -6.824 9.981 -9.968 1.00 72.35 C ATOM 2208 C GLY B 59 -5.779 8.861 -9.766 1.00 42.00 C ATOM 2209 O GLY B 59 -5.907 8.038 -8.855 1.00 75.23 O ATOM 0 H GLY B 59 -5.930 11.882 -10.161 1.00 63.32 H new ATOM 0 HA2 GLY B 59 -7.163 10.327 -8.992 1.00 72.35 H new ATOM 0 HA3 GLY B 59 -7.693 9.565 -10.478 1.00 72.35 H new ATOM 2213 N LEU B 60 -4.741 8.855 -10.619 1.00 12.24 N ATOM 2214 CA LEU B 60 -3.647 7.856 -10.601 1.00 25.25 C ATOM 2215 C LEU B 60 -2.520 8.326 -9.650 1.00 32.03 C ATOM 2216 O LEU B 60 -2.167 9.504 -9.641 1.00 51.33 O ATOM 2217 CB LEU B 60 -3.143 7.652 -12.072 1.00 11.21 C ATOM 2218 CG LEU B 60 -1.882 6.727 -12.317 1.00 50.32 C ATOM 2219 CD1 LEU B 60 -1.963 6.023 -13.697 1.00 14.20 C ATOM 2220 CD2 LEU B 60 -0.552 7.525 -12.211 1.00 13.33 C ATOM 0 H LEU B 60 -4.632 9.553 -11.354 1.00 12.24 H new ATOM 0 HA LEU B 60 -3.999 6.897 -10.221 1.00 25.25 H new ATOM 0 HB2 LEU B 60 -3.971 7.245 -12.652 1.00 11.21 H new ATOM 0 HB3 LEU B 60 -2.918 8.635 -12.485 1.00 11.21 H new ATOM 0 HG LEU B 60 -1.890 5.970 -11.533 1.00 50.32 H new ATOM 0 HD11 LEU B 60 -1.083 5.395 -13.837 1.00 14.20 H new ATOM 0 HD12 LEU B 60 -2.860 5.406 -13.738 1.00 14.20 H new ATOM 0 HD13 LEU B 60 -2.002 6.773 -14.487 1.00 14.20 H new ATOM 0 HD21 LEU B 60 0.289 6.855 -12.385 1.00 13.33 H new ATOM 0 HD22 LEU B 60 -0.544 8.319 -12.957 1.00 13.33 H new ATOM 0 HD23 LEU B 60 -0.468 7.961 -11.216 1.00 13.33 H new ATOM 2232 N ILE B 61 -1.961 7.401 -8.857 1.00 2.24 N ATOM 2233 CA ILE B 61 -0.883 7.719 -7.890 1.00 30.03 C ATOM 2234 C ILE B 61 0.523 7.624 -8.545 1.00 44.33 C ATOM 2235 O ILE B 61 0.903 6.574 -9.086 1.00 62.43 O ATOM 2236 CB ILE B 61 -0.976 6.778 -6.625 1.00 13.03 C ATOM 2237 CG1 ILE B 61 -2.342 7.009 -5.893 1.00 11.53 C ATOM 2238 CG2 ILE B 61 0.233 6.971 -5.664 1.00 53.24 C ATOM 2239 CD1 ILE B 61 -2.574 6.143 -4.664 1.00 5.13 C ATOM 0 H ILE B 61 -2.235 6.418 -8.862 1.00 2.24 H new ATOM 0 HA ILE B 61 -1.024 8.751 -7.567 1.00 30.03 H new ATOM 0 HB ILE B 61 -0.933 5.743 -6.964 1.00 13.03 H new ATOM 0 HG12 ILE B 61 -2.404 8.056 -5.597 1.00 11.53 H new ATOM 0 HG13 ILE B 61 -3.150 6.830 -6.602 1.00 11.53 H new ATOM 0 HG21 ILE B 61 0.128 6.304 -4.808 1.00 53.24 H new ATOM 0 HG22 ILE B 61 1.158 6.740 -6.192 1.00 53.24 H new ATOM 0 HG23 ILE B 61 0.261 8.004 -5.318 1.00 53.24 H new ATOM 0 HD11 ILE B 61 -3.546 6.379 -4.231 1.00 5.13 H new ATOM 0 HD12 ILE B 61 -2.550 5.091 -4.950 1.00 5.13 H new ATOM 0 HD13 ILE B 61 -1.792 6.337 -3.929 1.00 5.13 H new ATOM 2251 N GLU B 62 1.282 8.741 -8.481 1.00 73.22 N ATOM 2252 CA GLU B 62 2.708 8.800 -8.879 1.00 12.32 C ATOM 2253 C GLU B 62 3.570 8.940 -7.606 1.00 41.02 C ATOM 2254 O GLU B 62 3.324 9.833 -6.781 1.00 74.25 O ATOM 2255 CB GLU B 62 2.993 9.991 -9.838 1.00 4.44 C ATOM 2256 CG GLU B 62 2.170 9.992 -11.138 1.00 24.23 C ATOM 2257 CD GLU B 62 2.667 11.028 -12.170 1.00 64.20 C ATOM 2258 OE1 GLU B 62 2.731 12.232 -11.844 1.00 55.41 O ATOM 2259 OE2 GLU B 62 3.039 10.638 -13.302 1.00 72.34 O ATOM 0 H GLU B 62 0.920 9.635 -8.149 1.00 73.22 H new ATOM 0 HA GLU B 62 2.956 7.883 -9.414 1.00 12.32 H new ATOM 0 HB2 GLU B 62 2.801 10.922 -9.304 1.00 4.44 H new ATOM 0 HB3 GLU B 62 4.052 9.984 -10.096 1.00 4.44 H new ATOM 0 HG2 GLU B 62 2.206 8.998 -11.584 1.00 24.23 H new ATOM 0 HG3 GLU B 62 1.126 10.197 -10.900 1.00 24.23 H new ATOM 2266 N ILE B 63 4.564 8.057 -7.439 1.00 20.25 N ATOM 2267 CA ILE B 63 5.415 8.020 -6.237 1.00 72.35 C ATOM 2268 C ILE B 63 6.824 8.623 -6.555 1.00 0.04 C ATOM 2269 O ILE B 63 7.530 8.186 -7.472 1.00 31.23 O ATOM 2270 CB ILE B 63 5.454 6.537 -5.653 1.00 5.32 C ATOM 2271 CG1 ILE B 63 5.915 6.479 -4.154 1.00 64.42 C ATOM 2272 CG2 ILE B 63 6.272 5.558 -6.534 1.00 61.42 C ATOM 2273 CD1 ILE B 63 7.372 6.753 -3.893 1.00 51.25 C ATOM 0 H ILE B 63 4.802 7.348 -8.132 1.00 20.25 H new ATOM 0 HA ILE B 63 4.996 8.647 -5.450 1.00 72.35 H new ATOM 0 HB ILE B 63 4.419 6.197 -5.680 1.00 5.32 H new ATOM 0 HG12 ILE B 63 5.325 7.198 -3.586 1.00 64.42 H new ATOM 0 HG13 ILE B 63 5.677 5.491 -3.761 1.00 64.42 H new ATOM 0 HG21 ILE B 63 6.260 4.566 -6.083 1.00 61.42 H new ATOM 0 HG22 ILE B 63 5.831 5.509 -7.530 1.00 61.42 H new ATOM 0 HG23 ILE B 63 7.301 5.910 -6.610 1.00 61.42 H new ATOM 0 HD11 ILE B 63 7.569 6.684 -2.823 1.00 51.25 H new ATOM 0 HD12 ILE B 63 7.981 6.020 -4.422 1.00 51.25 H new ATOM 0 HD13 ILE B 63 7.623 7.754 -4.245 1.00 51.25 H new ATOM 2285 N TYR B 64 7.191 9.677 -5.796 1.00 31.43 N ATOM 2286 CA TYR B 64 8.498 10.373 -5.895 1.00 15.41 C ATOM 2287 C TYR B 64 9.375 10.036 -4.667 1.00 31.24 C ATOM 2288 O TYR B 64 8.861 9.661 -3.610 1.00 73.12 O ATOM 2289 CB TYR B 64 8.284 11.911 -5.994 1.00 2.31 C ATOM 2290 CG TYR B 64 7.322 12.354 -7.112 1.00 34.43 C ATOM 2291 CD1 TYR B 64 5.938 12.349 -6.912 1.00 35.41 C ATOM 2292 CD2 TYR B 64 7.791 12.763 -8.364 1.00 14.33 C ATOM 2293 CE1 TYR B 64 5.070 12.736 -7.912 1.00 14.54 C ATOM 2294 CE2 TYR B 64 6.917 13.151 -9.364 1.00 4.00 C ATOM 2295 CZ TYR B 64 5.561 13.131 -9.131 1.00 25.42 C ATOM 2296 OH TYR B 64 4.690 13.514 -10.122 1.00 14.13 O ATOM 0 H TYR B 64 6.580 10.077 -5.084 1.00 31.43 H new ATOM 0 HA TYR B 64 9.008 10.032 -6.796 1.00 15.41 H new ATOM 0 HB2 TYR B 64 7.902 12.274 -5.040 1.00 2.31 H new ATOM 0 HB3 TYR B 64 9.250 12.389 -6.153 1.00 2.31 H new ATOM 0 HD1 TYR B 64 5.541 12.036 -5.957 1.00 35.41 H new ATOM 0 HD2 TYR B 64 8.854 12.776 -8.554 1.00 14.33 H new ATOM 0 HE1 TYR B 64 4.005 12.728 -7.736 1.00 14.54 H new ATOM 0 HE2 TYR B 64 7.298 13.468 -10.324 1.00 4.00 H new ATOM 0 HH TYR B 64 4.198 12.731 -10.446 1.00 14.13 H new ATOM 2306 N ASN B 65 10.694 10.192 -4.815 1.00 34.43 N ATOM 2307 CA ASN B 65 11.673 9.826 -3.766 1.00 33.13 C ATOM 2308 C ASN B 65 11.863 10.977 -2.738 1.00 72.51 C ATOM 2309 O ASN B 65 11.478 12.128 -2.992 1.00 24.33 O ATOM 2310 CB ASN B 65 13.016 9.450 -4.448 1.00 62.33 C ATOM 2311 CG ASN B 65 14.046 8.812 -3.518 1.00 62.11 C ATOM 2312 OD1 ASN B 65 13.704 8.133 -2.553 1.00 33.22 O ATOM 2313 ND2 ASN B 65 15.315 9.002 -3.813 1.00 5.43 N ATOM 0 H ASN B 65 11.120 10.574 -5.659 1.00 34.43 H new ATOM 0 HA ASN B 65 11.298 8.969 -3.206 1.00 33.13 H new ATOM 0 HB2 ASN B 65 12.811 8.762 -5.268 1.00 62.33 H new ATOM 0 HB3 ASN B 65 13.450 10.349 -4.886 1.00 62.33 H new ATOM 0 HD21 ASN B 65 16.042 8.581 -3.234 1.00 5.43 H new ATOM 0 HD22 ASN B 65 15.571 9.570 -4.620 1.00 5.43 H new ATOM 2320 N GLU B 66 12.441 10.630 -1.570 1.00 31.13 N ATOM 2321 CA GLU B 66 12.798 11.593 -0.495 1.00 70.03 C ATOM 2322 C GLU B 66 13.669 12.768 -1.016 1.00 23.15 C ATOM 2323 O GLU B 66 14.760 12.553 -1.561 1.00 13.12 O ATOM 2324 CB GLU B 66 13.572 10.855 0.635 1.00 33.43 C ATOM 2325 CG GLU B 66 13.876 11.716 1.881 1.00 35.11 C ATOM 2326 CD GLU B 66 14.733 10.986 2.929 1.00 54.40 C ATOM 2327 OE1 GLU B 66 14.227 10.047 3.574 1.00 14.25 O ATOM 2328 OE2 GLU B 66 15.915 11.355 3.126 1.00 4.40 O ATOM 0 H GLU B 66 12.678 9.665 -1.339 1.00 31.13 H new ATOM 0 HA GLU B 66 11.865 12.010 -0.116 1.00 70.03 H new ATOM 0 HB2 GLU B 66 12.993 9.985 0.944 1.00 33.43 H new ATOM 0 HB3 GLU B 66 14.513 10.484 0.229 1.00 33.43 H new ATOM 0 HG2 GLU B 66 14.391 12.625 1.570 1.00 35.11 H new ATOM 0 HG3 GLU B 66 12.936 12.023 2.340 1.00 35.11 H new ATOM 2335 N GLY B 67 13.168 13.999 -0.829 1.00 74.14 N ATOM 2336 CA GLY B 67 13.880 15.221 -1.214 1.00 2.42 C ATOM 2337 C GLY B 67 12.912 16.364 -1.512 1.00 33.53 C ATOM 2338 O GLY B 67 12.769 17.302 -0.721 1.00 45.24 O ATOM 0 H GLY B 67 12.256 14.172 -0.406 1.00 74.14 H new ATOM 0 HA2 GLY B 67 14.557 15.516 -0.413 1.00 2.42 H new ATOM 0 HA3 GLY B 67 14.493 15.024 -2.093 1.00 2.42 H new ATOM 2342 N HIS B 68 12.210 16.252 -2.651 1.00 32.24 N ATOM 2343 CA HIS B 68 11.239 17.270 -3.111 1.00 3.31 C ATOM 2344 C HIS B 68 9.803 16.905 -2.628 1.00 4.21 C ATOM 2345 O HIS B 68 8.971 16.429 -3.407 1.00 1.32 O ATOM 2346 CB HIS B 68 11.330 17.396 -4.661 1.00 1.13 C ATOM 2347 CG HIS B 68 10.665 18.619 -5.243 1.00 62.30 C ATOM 2348 ND1 HIS B 68 11.321 19.824 -5.404 1.00 2.14 N ATOM 2349 CD2 HIS B 68 9.414 18.817 -5.723 1.00 40.20 C ATOM 2350 CE1 HIS B 68 10.508 20.703 -5.946 1.00 43.54 C ATOM 2351 NE2 HIS B 68 9.346 20.121 -6.150 1.00 43.32 N ATOM 0 H HIS B 68 12.296 15.455 -3.282 1.00 32.24 H new ATOM 0 HA HIS B 68 11.478 18.242 -2.679 1.00 3.31 H new ATOM 0 HB2 HIS B 68 12.381 17.401 -4.949 1.00 1.13 H new ATOM 0 HB3 HIS B 68 10.881 16.509 -5.109 1.00 1.13 H new ATOM 0 HD2 HIS B 68 8.619 18.087 -5.763 1.00 40.20 H new ATOM 0 HE1 HIS B 68 10.752 21.728 -6.183 1.00 43.54 H new ATOM 0 HE2 HIS B 68 8.525 20.567 -6.560 1.00 43.32 H new ATOM 2360 N PHE B 69 9.554 17.094 -1.312 1.00 11.11 N ATOM 2361 CA PHE B 69 8.224 16.857 -0.684 1.00 61.30 C ATOM 2362 C PHE B 69 7.240 18.010 -1.006 1.00 71.33 C ATOM 2363 O PHE B 69 6.041 17.779 -1.223 1.00 54.33 O ATOM 2364 CB PHE B 69 8.374 16.670 0.852 1.00 75.21 C ATOM 2365 CG PHE B 69 9.020 15.347 1.264 1.00 33.34 C ATOM 2366 CD1 PHE B 69 10.400 15.231 1.405 1.00 75.33 C ATOM 2367 CD2 PHE B 69 8.237 14.220 1.517 1.00 42.44 C ATOM 2368 CE1 PHE B 69 10.975 14.031 1.773 1.00 4.33 C ATOM 2369 CE2 PHE B 69 8.816 13.020 1.885 1.00 2.22 C ATOM 2370 CZ PHE B 69 10.183 12.927 2.019 1.00 13.22 C ATOM 0 H PHE B 69 10.264 17.414 -0.653 1.00 11.11 H new ATOM 0 HA PHE B 69 7.809 15.941 -1.104 1.00 61.30 H new ATOM 0 HB2 PHE B 69 8.970 17.491 1.250 1.00 75.21 H new ATOM 0 HB3 PHE B 69 7.389 16.739 1.313 1.00 75.21 H new ATOM 0 HD1 PHE B 69 11.029 16.090 1.224 1.00 75.33 H new ATOM 0 HD2 PHE B 69 7.163 14.286 1.424 1.00 42.44 H new ATOM 0 HE1 PHE B 69 12.048 13.956 1.869 1.00 4.33 H new ATOM 0 HE2 PHE B 69 8.196 12.155 2.067 1.00 2.22 H new ATOM 0 HZ PHE B 69 10.635 11.992 2.316 1.00 13.22 H new ATOM 2380 N ASP B 70 7.756 19.257 -1.020 1.00 62.52 N ATOM 2381 CA ASP B 70 7.003 20.431 -1.509 1.00 35.40 C ATOM 2382 C ASP B 70 6.990 20.421 -3.057 1.00 1.20 C ATOM 2383 O ASP B 70 7.828 21.067 -3.707 1.00 74.35 O ATOM 2384 CB ASP B 70 7.622 21.749 -0.972 1.00 33.43 C ATOM 2385 CG ASP B 70 7.748 21.774 0.556 1.00 25.42 C ATOM 2386 OD1 ASP B 70 6.789 22.190 1.239 1.00 45.43 O ATOM 2387 OD2 ASP B 70 8.814 21.374 1.082 1.00 63.45 O ATOM 0 H ASP B 70 8.698 19.477 -0.696 1.00 62.52 H new ATOM 0 HA ASP B 70 5.978 20.376 -1.141 1.00 35.40 H new ATOM 0 HB2 ASP B 70 8.609 21.887 -1.414 1.00 33.43 H new ATOM 0 HB3 ASP B 70 7.008 22.590 -1.294 1.00 33.43 H new ATOM 2392 N PHE B 71 6.074 19.619 -3.630 1.00 31.24 N ATOM 2393 CA PHE B 71 5.943 19.455 -5.090 1.00 54.21 C ATOM 2394 C PHE B 71 5.470 20.773 -5.747 1.00 73.12 C ATOM 2395 O PHE B 71 6.014 21.213 -6.767 1.00 4.51 O ATOM 2396 CB PHE B 71 4.980 18.283 -5.405 1.00 62.35 C ATOM 2397 CG PHE B 71 4.945 17.900 -6.882 1.00 71.33 C ATOM 2398 CD1 PHE B 71 5.970 17.137 -7.446 1.00 61.13 C ATOM 2399 CD2 PHE B 71 3.901 18.310 -7.711 1.00 62.34 C ATOM 2400 CE1 PHE B 71 5.949 16.803 -8.787 1.00 4.13 C ATOM 2401 CE2 PHE B 71 3.884 17.978 -9.050 1.00 13.41 C ATOM 2402 CZ PHE B 71 4.906 17.222 -9.587 1.00 12.02 C ATOM 0 H PHE B 71 5.404 19.067 -3.095 1.00 31.24 H new ATOM 0 HA PHE B 71 6.919 19.214 -5.511 1.00 54.21 H new ATOM 0 HB2 PHE B 71 5.277 17.413 -4.820 1.00 62.35 H new ATOM 0 HB3 PHE B 71 3.974 18.554 -5.085 1.00 62.35 H new ATOM 0 HD1 PHE B 71 6.789 16.804 -6.826 1.00 61.13 H new ATOM 0 HD2 PHE B 71 3.093 18.896 -7.298 1.00 62.34 H new ATOM 0 HE1 PHE B 71 6.750 16.214 -9.209 1.00 4.13 H new ATOM 0 HE2 PHE B 71 3.071 18.310 -9.678 1.00 13.41 H new ATOM 0 HZ PHE B 71 4.889 16.958 -10.634 1.00 12.02 H new ATOM 2412 N SER B 72 4.444 21.380 -5.141 1.00 51.21 N ATOM 2413 CA SER B 72 3.984 22.738 -5.478 1.00 31.00 C ATOM 2414 C SER B 72 4.770 23.787 -4.658 1.00 34.12 C ATOM 2415 O SER B 72 4.595 23.894 -3.438 1.00 24.43 O ATOM 2416 CB SER B 72 2.468 22.861 -5.208 1.00 24.41 C ATOM 2417 OG SER B 72 2.140 22.571 -3.853 1.00 65.24 O ATOM 0 H SER B 72 3.903 20.942 -4.396 1.00 51.21 H new ATOM 0 HA SER B 72 4.166 22.924 -6.536 1.00 31.00 H new ATOM 0 HB2 SER B 72 2.137 23.870 -5.452 1.00 24.41 H new ATOM 0 HB3 SER B 72 1.927 22.180 -5.865 1.00 24.41 H new ATOM 0 HG SER B 72 2.795 22.994 -3.260 1.00 65.24 H new ATOM 2423 N PHE B 73 5.652 24.538 -5.339 1.00 30.13 N ATOM 2424 CA PHE B 73 6.484 25.588 -4.709 1.00 5.52 C ATOM 2425 C PHE B 73 5.648 26.895 -4.546 1.00 32.52 C ATOM 2426 O PHE B 73 5.719 27.820 -5.372 1.00 54.10 O ATOM 2427 CB PHE B 73 7.780 25.798 -5.558 1.00 61.53 C ATOM 2428 CG PHE B 73 8.882 26.632 -4.898 1.00 41.11 C ATOM 2429 CD1 PHE B 73 9.319 26.354 -3.602 1.00 30.43 C ATOM 2430 CD2 PHE B 73 9.515 27.666 -5.592 1.00 34.45 C ATOM 2431 CE1 PHE B 73 10.344 27.082 -3.023 1.00 71.41 C ATOM 2432 CE2 PHE B 73 10.536 28.395 -5.010 1.00 61.01 C ATOM 2433 CZ PHE B 73 10.951 28.102 -3.726 1.00 75.44 C ATOM 0 H PHE B 73 5.811 24.438 -6.341 1.00 30.13 H new ATOM 0 HA PHE B 73 6.795 25.284 -3.710 1.00 5.52 H new ATOM 0 HB2 PHE B 73 8.191 24.820 -5.807 1.00 61.53 H new ATOM 0 HB3 PHE B 73 7.503 26.276 -6.498 1.00 61.53 H new ATOM 0 HD1 PHE B 73 8.850 25.558 -3.042 1.00 30.43 H new ATOM 0 HD2 PHE B 73 9.202 27.900 -6.599 1.00 34.45 H new ATOM 0 HE1 PHE B 73 10.669 26.851 -2.019 1.00 71.41 H new ATOM 0 HE2 PHE B 73 11.009 29.195 -5.560 1.00 61.01 H new ATOM 0 HZ PHE B 73 11.750 28.671 -3.273 1.00 75.44 H new ATOM 2443 N GLY B 74 4.816 26.921 -3.478 1.00 12.04 N ATOM 2444 CA GLY B 74 3.806 27.977 -3.267 1.00 2.51 C ATOM 2445 C GLY B 74 4.325 29.187 -2.486 1.00 44.45 C ATOM 2446 O GLY B 74 4.081 29.307 -1.280 1.00 62.33 O ATOM 0 H GLY B 74 4.828 26.213 -2.744 1.00 12.04 H new ATOM 0 HA2 GLY B 74 3.439 28.313 -4.237 1.00 2.51 H new ATOM 0 HA3 GLY B 74 2.956 27.551 -2.734 1.00 2.51 H new ATOM 2450 N LEU B 75 5.053 30.083 -3.178 1.00 3.14 N ATOM 2451 CA LEU B 75 5.570 31.341 -2.594 1.00 72.25 C ATOM 2452 C LEU B 75 4.435 32.381 -2.402 1.00 22.13 C ATOM 2453 O LEU B 75 4.133 32.783 -1.274 1.00 43.51 O ATOM 2454 CB LEU B 75 6.688 31.928 -3.502 1.00 43.12 C ATOM 2455 CG LEU B 75 7.957 31.035 -3.676 1.00 11.50 C ATOM 2456 CD1 LEU B 75 8.955 31.662 -4.675 1.00 34.24 C ATOM 2457 CD2 LEU B 75 8.629 30.745 -2.313 1.00 63.20 C ATOM 0 H LEU B 75 5.301 29.958 -4.159 1.00 3.14 H new ATOM 0 HA LEU B 75 5.986 31.114 -1.612 1.00 72.25 H new ATOM 0 HB2 LEU B 75 6.265 32.123 -4.488 1.00 43.12 H new ATOM 0 HB3 LEU B 75 6.996 32.890 -3.092 1.00 43.12 H new ATOM 0 HG LEU B 75 7.634 30.081 -4.093 1.00 11.50 H new ATOM 0 HD11 LEU B 75 9.827 31.015 -4.773 1.00 34.24 H new ATOM 0 HD12 LEU B 75 8.475 31.774 -5.647 1.00 34.24 H new ATOM 0 HD13 LEU B 75 9.268 32.640 -4.311 1.00 34.24 H new ATOM 0 HD21 LEU B 75 9.510 30.121 -2.467 1.00 63.20 H new ATOM 0 HD22 LEU B 75 8.927 31.684 -1.847 1.00 63.20 H new ATOM 0 HD23 LEU B 75 7.925 30.225 -1.664 1.00 63.20 H new ATOM 2469 N GLU B 76 3.784 32.778 -3.522 1.00 74.45 N ATOM 2470 CA GLU B 76 2.763 33.863 -3.527 1.00 24.34 C ATOM 2471 C GLU B 76 1.317 33.317 -3.301 1.00 24.20 C ATOM 2472 O GLU B 76 0.318 33.896 -3.751 1.00 72.00 O ATOM 2473 CB GLU B 76 2.887 34.682 -4.847 1.00 30.34 C ATOM 2474 CG GLU B 76 2.138 36.037 -4.839 1.00 32.04 C ATOM 2475 CD GLU B 76 2.291 36.837 -6.144 1.00 34.40 C ATOM 2476 OE1 GLU B 76 1.513 36.599 -7.094 1.00 4.20 O ATOM 2477 OE2 GLU B 76 3.187 37.712 -6.226 1.00 1.32 O ATOM 0 H GLU B 76 3.946 32.363 -4.439 1.00 74.45 H new ATOM 0 HA GLU B 76 2.957 34.528 -2.685 1.00 24.34 H new ATOM 0 HB2 GLU B 76 3.943 34.867 -5.046 1.00 30.34 H new ATOM 0 HB3 GLU B 76 2.508 34.077 -5.671 1.00 30.34 H new ATOM 0 HG2 GLU B 76 1.079 35.855 -4.657 1.00 32.04 H new ATOM 0 HG3 GLU B 76 2.505 36.640 -4.009 1.00 32.04 H new ATOM 2484 N HIS B 77 1.209 32.198 -2.569 1.00 50.51 N ATOM 2485 CA HIS B 77 -0.078 31.733 -2.022 1.00 44.40 C ATOM 2486 C HIS B 77 -0.470 32.673 -0.852 1.00 10.20 C ATOM 2487 O HIS B 77 0.138 32.610 0.221 1.00 51.05 O ATOM 2488 CB HIS B 77 0.016 30.256 -1.558 1.00 71.10 C ATOM 2489 CG HIS B 77 -1.269 29.719 -0.995 1.00 45.13 C ATOM 2490 ND1 HIS B 77 -1.500 29.567 0.356 1.00 41.15 N ATOM 2491 CD2 HIS B 77 -2.402 29.302 -1.612 1.00 73.41 C ATOM 2492 CE1 HIS B 77 -2.710 29.084 0.543 1.00 63.33 C ATOM 2493 NE2 HIS B 77 -3.276 28.914 -0.632 1.00 51.31 N ATOM 0 H HIS B 77 2.000 31.595 -2.341 1.00 50.51 H new ATOM 0 HA HIS B 77 -0.848 31.768 -2.793 1.00 44.40 H new ATOM 0 HB2 HIS B 77 0.319 29.637 -2.403 1.00 71.10 H new ATOM 0 HB3 HIS B 77 0.798 30.170 -0.803 1.00 71.10 H new ATOM 0 HD2 HIS B 77 -2.581 29.280 -2.677 1.00 73.41 H new ATOM 0 HE1 HIS B 77 -3.162 28.864 1.499 1.00 63.33 H new ATOM 0 HE2 HIS B 77 -4.216 28.551 -0.788 1.00 51.31 H new ATOM 2502 N HIS B 78 -1.456 33.563 -1.105 1.00 12.40 N ATOM 2503 CA HIS B 78 -1.811 34.691 -0.209 1.00 33.43 C ATOM 2504 C HIS B 78 -2.070 34.250 1.256 1.00 61.50 C ATOM 2505 O HIS B 78 -2.838 33.320 1.505 1.00 32.13 O ATOM 2506 CB HIS B 78 -3.051 35.433 -0.766 1.00 73.31 C ATOM 2507 CG HIS B 78 -3.400 36.708 -0.036 1.00 13.13 C ATOM 2508 ND1 HIS B 78 -4.314 36.760 0.996 1.00 33.11 N ATOM 2509 CD2 HIS B 78 -2.952 37.982 -0.192 1.00 72.42 C ATOM 2510 CE1 HIS B 78 -4.415 37.996 1.439 1.00 52.22 C ATOM 2511 NE2 HIS B 78 -3.597 38.756 0.742 1.00 40.11 N ATOM 0 H HIS B 78 -2.034 33.519 -1.944 1.00 12.40 H new ATOM 0 HA HIS B 78 -0.950 35.359 -0.186 1.00 33.43 H new ATOM 0 HB2 HIS B 78 -2.877 35.667 -1.816 1.00 73.31 H new ATOM 0 HB3 HIS B 78 -3.908 34.761 -0.727 1.00 73.31 H new ATOM 0 HD2 HIS B 78 -2.225 38.322 -0.915 1.00 72.42 H new ATOM 0 HE1 HIS B 78 -5.060 38.330 2.239 1.00 52.22 H new ATOM 0 HE2 HIS B 78 -3.463 39.759 0.874 1.00 40.11 H new ATOM 2520 N HIS B 79 -1.425 34.955 2.205 1.00 65.21 N ATOM 2521 CA HIS B 79 -1.499 34.661 3.655 1.00 22.23 C ATOM 2522 C HIS B 79 -1.404 35.954 4.496 1.00 12.25 C ATOM 2523 O HIS B 79 -0.855 36.962 4.040 1.00 23.32 O ATOM 2524 CB HIS B 79 -0.373 33.668 4.060 1.00 45.41 C ATOM 2525 CG HIS B 79 1.024 34.107 3.676 1.00 53.23 C ATOM 2526 ND1 HIS B 79 1.622 33.745 2.486 1.00 32.15 N ATOM 2527 CD2 HIS B 79 1.942 34.868 4.327 1.00 50.45 C ATOM 2528 CE1 HIS B 79 2.829 34.259 2.420 1.00 31.25 C ATOM 2529 NE2 HIS B 79 3.051 34.947 3.520 1.00 35.22 N ATOM 0 H HIS B 79 -0.830 35.755 1.987 1.00 65.21 H new ATOM 0 HA HIS B 79 -2.467 34.202 3.857 1.00 22.23 H new ATOM 0 HB2 HIS B 79 -0.409 33.519 5.139 1.00 45.41 H new ATOM 0 HB3 HIS B 79 -0.576 32.702 3.598 1.00 45.41 H new ATOM 0 HD1 HIS B 79 1.191 33.165 1.766 1.00 32.15 H new ATOM 0 HD2 HIS B 79 1.822 35.326 5.298 1.00 50.45 H new ATOM 0 HE1 HIS B 79 3.523 34.138 1.601 1.00 31.25 H new ATOM 2538 N HIS B 80 -1.946 35.898 5.724 1.00 32.31 N ATOM 2539 CA HIS B 80 -1.839 36.988 6.723 1.00 73.41 C ATOM 2540 C HIS B 80 -2.202 36.461 8.126 1.00 43.21 C ATOM 2541 O HIS B 80 -2.894 35.442 8.259 1.00 33.12 O ATOM 2542 CB HIS B 80 -2.743 38.196 6.350 1.00 61.21 C ATOM 2543 CG HIS B 80 -4.226 37.921 6.433 1.00 32.41 C ATOM 2544 ND1 HIS B 80 -4.886 37.120 5.531 1.00 5.01 N ATOM 2545 CD2 HIS B 80 -5.163 38.307 7.337 1.00 71.25 C ATOM 2546 CE1 HIS B 80 -6.156 37.031 5.865 1.00 43.35 C ATOM 2547 NE2 HIS B 80 -6.351 37.737 6.957 1.00 53.21 N ATOM 0 H HIS B 80 -2.475 35.093 6.059 1.00 32.31 H new ATOM 0 HA HIS B 80 -0.806 37.336 6.728 1.00 73.41 H new ATOM 0 HB2 HIS B 80 -2.504 39.029 7.010 1.00 61.21 H new ATOM 0 HB3 HIS B 80 -2.502 38.514 5.336 1.00 61.21 H new ATOM 0 HD2 HIS B 80 -5.003 38.944 8.195 1.00 71.25 H new ATOM 0 HE1 HIS B 80 -6.911 36.472 5.332 1.00 43.35 H new ATOM 0 HE2 HIS B 80 -7.242 37.843 7.443 1.00 53.21 H new ATOM 2556 N HIS B 81 -1.730 37.157 9.169 1.00 43.30 N ATOM 2557 CA HIS B 81 -2.053 36.839 10.582 1.00 60.41 C ATOM 2558 C HIS B 81 -2.547 38.090 11.348 1.00 64.04 C ATOM 2559 O HIS B 81 -2.377 39.229 10.896 1.00 53.22 O ATOM 2560 CB HIS B 81 -0.833 36.188 11.288 1.00 72.12 C ATOM 2561 CG HIS B 81 -0.627 34.741 10.919 1.00 1.42 C ATOM 2562 ND1 HIS B 81 -0.999 33.704 11.745 1.00 40.41 N ATOM 2563 CD2 HIS B 81 -0.105 34.159 9.811 1.00 21.55 C ATOM 2564 CE1 HIS B 81 -0.721 32.559 11.169 1.00 14.55 C ATOM 2565 NE2 HIS B 81 -0.183 32.802 9.994 1.00 42.44 N ATOM 0 H HIS B 81 -1.111 37.961 9.065 1.00 43.30 H new ATOM 0 HA HIS B 81 -2.871 36.118 10.585 1.00 60.41 H new ATOM 0 HB2 HIS B 81 0.066 36.751 11.036 1.00 72.12 H new ATOM 0 HB3 HIS B 81 -0.964 36.264 12.367 1.00 72.12 H new ATOM 0 HD2 HIS B 81 0.296 34.668 8.947 1.00 21.55 H new ATOM 0 HE1 HIS B 81 -0.903 31.581 11.589 1.00 14.55 H new ATOM 0 HE2 HIS B 81 0.126 32.095 9.327 1.00 42.44 H new ATOM 2574 N HIS B 82 -3.166 37.838 12.517 1.00 35.43 N ATOM 2575 CA HIS B 82 -3.822 38.867 13.351 1.00 4.41 C ATOM 2576 C HIS B 82 -2.779 39.739 14.083 1.00 61.14 C ATOM 2577 O HIS B 82 -2.920 40.961 14.195 1.00 31.51 O ATOM 2578 CB HIS B 82 -4.761 38.151 14.357 1.00 74.53 C ATOM 2579 CG HIS B 82 -5.629 39.053 15.194 1.00 62.12 C ATOM 2580 ND1 HIS B 82 -5.553 39.114 16.570 1.00 24.33 N ATOM 2581 CD2 HIS B 82 -6.631 39.897 14.845 1.00 1.34 C ATOM 2582 CE1 HIS B 82 -6.462 39.950 17.028 1.00 53.41 C ATOM 2583 NE2 HIS B 82 -7.128 40.440 16.006 1.00 62.34 N ATOM 0 H HIS B 82 -3.226 36.901 12.916 1.00 35.43 H new ATOM 0 HA HIS B 82 -4.404 39.538 12.719 1.00 4.41 H new ATOM 0 HB2 HIS B 82 -5.406 37.469 13.802 1.00 74.53 H new ATOM 0 HB3 HIS B 82 -4.152 37.542 15.024 1.00 74.53 H new ATOM 0 HD2 HIS B 82 -6.975 40.104 13.842 1.00 1.34 H new ATOM 0 HE1 HIS B 82 -6.631 40.192 18.067 1.00 53.41 H new ATOM 0 HE2 HIS B 82 -7.891 41.115 16.065 1.00 62.34 H new TER 2592 HIS B 82