USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 768 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 138 THR OG1 : rot 88:sc= -1.06 USER MOD Set 1.2: B 139 GLN : amide:sc= -0.74 X(o=-1.8,f=-1.6) USER MOD Set 2.1: B 113 ASN : amide:sc= 0.16 K(o=0.69,f=-1.1) USER MOD Set 2.2: B 117 LYS NZ :NH3+ 180:sc= 0.528 (180deg=-0.00368) USER MOD Set 3.1: A 33 GLN : amide:sc= -2.24! C(o=-9.6!,f=-18!) USER MOD Set 3.2: A 38 THR OG1 : rot 166:sc= 0.544 USER MOD Set 3.3: A 41 GLN : amide:sc= -1.71 K(o=-9.6,f=-14!) USER MOD Set 3.4: B 141 GLN : amide:sc= -6.24! C(o=-9.6!,f=-10!) USER MOD Set 4.1: A 24 ASN :FLIP amide:sc= -1.5 F(o=-2.8!,f=-0.26) USER MOD Set 4.2: B 123 THR OG1 : rot 56:sc= 1.24 USER MOD Single : A 1 ASP N :NH3+ -175:sc= -0.0832 (180deg=-0.133) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= -0.0184 (180deg=-0.0335) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.063 X(o=0.063,f=-0.13) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.042 F(o=-0.55,f=-0.042) USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 0.376 (180deg=0.342) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -2.95! F(o=-3.5,f=-3!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 25 MET CE :methyl 147:sc= -0.194 (180deg=-1.9!) USER MOD Single : A 28 THR OG1 : rot 72:sc= 0.91 USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= 0.617 (180deg=0.29) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.131 F(o=-1,f=-0.13) USER MOD Single : B 103 LYS NZ :NH3+ 168:sc= 1.37 (180deg=1.29) USER MOD Single : B 104 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00385) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.039) USER MOD Single : B 115 LYS NZ :NH3+ -170:sc= 0.384 (180deg=0.34) USER MOD Single : B 119 GLN :FLIP amide:sc= -1.73 F(o=-2.7!,f=-1.7) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 124 ASN :FLIP amide:sc= -1.27 F(o=-3.4!,f=-1.3) USER MOD Single : B 125 MET CE :methyl 159:sc= -0.627 (180deg=-1.69!) USER MOD Single : B 128 THR OG1 : rot 73:sc= 1.07 USER MOD Single : B 131 LYS NZ :NH3+ 142:sc= 1.51 (180deg=0.0174) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.152 F(o=-1.1,f=-0.15) USER MOD Single : B 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 14.978 -7.475 24.283 1.00 41.43 N ATOM 2 CA ASP A 1 15.111 -6.943 22.895 1.00 61.23 C ATOM 3 C ASP A 1 13.942 -7.374 21.999 1.00 70.32 C ATOM 4 O ASP A 1 13.830 -6.919 20.865 1.00 53.02 O ATOM 5 CB ASP A 1 16.442 -7.412 22.257 1.00 31.20 C ATOM 6 CG ASP A 1 17.675 -6.961 23.049 1.00 72.43 C ATOM 7 OD1 ASP A 1 18.053 -7.661 24.009 1.00 73.15 O ATOM 8 OD2 ASP A 1 18.255 -5.896 22.737 1.00 3.54 O ATOM 0 H1 ASP A 1 15.741 -7.092 24.876 1.00 41.43 H new ATOM 0 H2 ASP A 1 14.058 -7.192 24.677 1.00 41.43 H new ATOM 0 H3 ASP A 1 15.042 -8.513 24.265 1.00 41.43 H new ATOM 0 HA ASP A 1 15.101 -5.856 22.971 1.00 61.23 H new ATOM 0 HB2 ASP A 1 16.441 -8.500 22.184 1.00 31.20 H new ATOM 0 HB3 ASP A 1 16.508 -7.025 21.240 1.00 31.20 H new ATOM 15 N PHE A 2 13.078 -8.261 22.489 1.00 73.24 N ATOM 16 CA PHE A 2 11.913 -8.738 21.716 1.00 71.34 C ATOM 17 C PHE A 2 10.835 -7.646 21.508 1.00 61.25 C ATOM 18 O PHE A 2 9.932 -7.827 20.676 1.00 64.04 O ATOM 19 CB PHE A 2 11.331 -10.004 22.375 1.00 71.23 C ATOM 20 CG PHE A 2 12.173 -11.261 22.128 1.00 71.00 C ATOM 21 CD1 PHE A 2 12.355 -11.729 20.827 1.00 74.33 C ATOM 22 CD2 PHE A 2 12.755 -11.985 23.169 1.00 63.33 C ATOM 23 CE1 PHE A 2 13.081 -12.872 20.567 1.00 72.32 C ATOM 24 CE2 PHE A 2 13.493 -13.133 22.911 1.00 53.35 C ATOM 25 CZ PHE A 2 13.657 -13.575 21.610 1.00 32.22 C ATOM 0 H PHE A 2 13.156 -8.670 23.420 1.00 73.24 H new ATOM 0 HA PHE A 2 12.263 -8.991 20.715 1.00 71.34 H new ATOM 0 HB2 PHE A 2 11.245 -9.839 23.449 1.00 71.23 H new ATOM 0 HB3 PHE A 2 10.323 -10.171 21.996 1.00 71.23 H new ATOM 0 HD1 PHE A 2 11.917 -11.184 20.004 1.00 74.33 H new ATOM 0 HD2 PHE A 2 12.630 -11.649 24.188 1.00 63.33 H new ATOM 0 HE1 PHE A 2 13.200 -13.218 19.551 1.00 72.32 H new ATOM 0 HE2 PHE A 2 13.940 -13.682 23.727 1.00 53.35 H new ATOM 0 HZ PHE A 2 14.233 -14.466 21.409 1.00 32.22 H new ATOM 35 N LYS A 3 10.955 -6.509 22.231 1.00 55.24 N ATOM 36 CA LYS A 3 10.066 -5.350 22.033 1.00 71.25 C ATOM 37 C LYS A 3 10.342 -4.720 20.655 1.00 51.52 C ATOM 38 O LYS A 3 9.407 -4.462 19.896 1.00 64.34 O ATOM 39 CB LYS A 3 10.186 -4.276 23.178 1.00 61.14 C ATOM 40 CG LYS A 3 11.352 -3.246 23.077 1.00 14.14 C ATOM 41 CD LYS A 3 12.757 -3.806 23.443 1.00 61.24 C ATOM 42 CE LYS A 3 13.156 -3.562 24.916 1.00 3.33 C ATOM 43 NZ LYS A 3 12.111 -3.971 25.900 1.00 11.32 N ATOM 0 H LYS A 3 11.660 -6.373 22.956 1.00 55.24 H new ATOM 0 HA LYS A 3 9.040 -5.715 22.073 1.00 71.25 H new ATOM 0 HB2 LYS A 3 9.249 -3.721 23.218 1.00 61.14 H new ATOM 0 HB3 LYS A 3 10.285 -4.804 24.126 1.00 61.14 H new ATOM 0 HG2 LYS A 3 11.386 -2.857 22.059 1.00 14.14 H new ATOM 0 HG3 LYS A 3 11.131 -2.404 23.733 1.00 14.14 H new ATOM 0 HD2 LYS A 3 12.775 -4.877 23.243 1.00 61.24 H new ATOM 0 HD3 LYS A 3 13.502 -3.348 22.793 1.00 61.24 H new ATOM 0 HE2 LYS A 3 14.075 -4.108 25.129 1.00 3.33 H new ATOM 0 HE3 LYS A 3 13.375 -2.503 25.052 1.00 3.33 H new ATOM 0 HZ1 LYS A 3 12.474 -3.841 26.866 1.00 11.32 H new ATOM 0 HZ2 LYS A 3 11.262 -3.386 25.768 1.00 11.32 H new ATOM 0 HZ3 LYS A 3 11.868 -4.971 25.753 1.00 11.32 H new ATOM 57 N LYS A 4 11.650 -4.533 20.322 1.00 74.03 N ATOM 58 CA LYS A 4 12.058 -3.881 19.074 1.00 54.32 C ATOM 59 C LYS A 4 11.840 -4.824 17.907 1.00 53.32 C ATOM 60 O LYS A 4 11.549 -4.368 16.831 1.00 32.44 O ATOM 61 CB LYS A 4 13.522 -3.343 19.141 1.00 51.02 C ATOM 62 CG LYS A 4 14.634 -4.393 19.382 1.00 0.22 C ATOM 63 CD LYS A 4 15.179 -5.090 18.103 1.00 42.42 C ATOM 64 CE LYS A 4 15.823 -4.114 17.102 1.00 20.21 C ATOM 65 NZ LYS A 4 17.065 -3.490 17.637 1.00 64.23 N ATOM 0 H LYS A 4 12.429 -4.830 20.910 1.00 74.03 H new ATOM 0 HA LYS A 4 11.431 -3.003 18.923 1.00 54.32 H new ATOM 0 HB2 LYS A 4 13.738 -2.826 18.206 1.00 51.02 H new ATOM 0 HB3 LYS A 4 13.576 -2.600 19.937 1.00 51.02 H new ATOM 0 HG2 LYS A 4 15.465 -3.907 19.893 1.00 0.22 H new ATOM 0 HG3 LYS A 4 14.249 -5.158 20.056 1.00 0.22 H new ATOM 0 HD2 LYS A 4 15.915 -5.840 18.393 1.00 42.42 H new ATOM 0 HD3 LYS A 4 14.363 -5.618 17.610 1.00 42.42 H new ATOM 0 HE2 LYS A 4 16.055 -4.645 16.179 1.00 20.21 H new ATOM 0 HE3 LYS A 4 15.107 -3.332 16.849 1.00 20.21 H new ATOM 0 HZ1 LYS A 4 17.461 -2.841 16.927 1.00 64.23 H new ATOM 0 HZ2 LYS A 4 16.842 -2.960 18.504 1.00 64.23 H new ATOM 0 HZ3 LYS A 4 17.760 -4.232 17.854 1.00 64.23 H new ATOM 79 N LEU A 5 11.973 -6.146 18.150 1.00 24.24 N ATOM 80 CA LEU A 5 11.683 -7.187 17.138 1.00 1.15 C ATOM 81 C LEU A 5 10.273 -6.981 16.543 1.00 23.55 C ATOM 82 O LEU A 5 10.086 -6.908 15.310 1.00 35.10 O ATOM 83 CB LEU A 5 11.762 -8.602 17.775 1.00 45.52 C ATOM 84 CG LEU A 5 11.779 -9.778 16.752 1.00 72.30 C ATOM 85 CD1 LEU A 5 13.132 -9.831 16.020 1.00 23.05 C ATOM 86 CD2 LEU A 5 11.423 -11.128 17.401 1.00 12.03 C ATOM 0 H LEU A 5 12.282 -6.521 19.047 1.00 24.24 H new ATOM 0 HA LEU A 5 12.428 -7.104 16.346 1.00 1.15 H new ATOM 0 HB2 LEU A 5 12.661 -8.659 18.389 1.00 45.52 H new ATOM 0 HB3 LEU A 5 10.911 -8.732 18.443 1.00 45.52 H new ATOM 0 HG LEU A 5 10.999 -9.586 16.015 1.00 72.30 H new ATOM 0 HD11 LEU A 5 13.129 -10.657 15.309 1.00 23.05 H new ATOM 0 HD12 LEU A 5 13.294 -8.894 15.487 1.00 23.05 H new ATOM 0 HD13 LEU A 5 13.932 -9.979 16.745 1.00 23.05 H new ATOM 0 HD21 LEU A 5 11.449 -11.913 16.645 1.00 12.03 H new ATOM 0 HD22 LEU A 5 12.144 -11.356 18.186 1.00 12.03 H new ATOM 0 HD23 LEU A 5 10.423 -11.072 17.832 1.00 12.03 H new ATOM 98 N TYR A 6 9.309 -6.847 17.476 1.00 14.51 N ATOM 99 CA TYR A 6 7.907 -6.552 17.181 1.00 22.50 C ATOM 100 C TYR A 6 7.787 -5.212 16.432 1.00 61.34 C ATOM 101 O TYR A 6 7.100 -5.128 15.420 1.00 23.34 O ATOM 102 CB TYR A 6 7.113 -6.543 18.525 1.00 52.44 C ATOM 103 CG TYR A 6 5.589 -6.634 18.382 1.00 33.31 C ATOM 104 CD1 TYR A 6 4.952 -7.872 18.246 1.00 23.12 C ATOM 105 CD2 TYR A 6 4.788 -5.494 18.378 1.00 14.24 C ATOM 106 CE1 TYR A 6 3.582 -7.964 18.108 1.00 1.14 C ATOM 107 CE2 TYR A 6 3.417 -5.586 18.247 1.00 22.30 C ATOM 108 CZ TYR A 6 2.819 -6.820 18.108 1.00 3.23 C ATOM 109 OH TYR A 6 1.448 -6.909 17.962 1.00 61.21 O ATOM 0 H TYR A 6 9.495 -6.944 18.474 1.00 14.51 H new ATOM 0 HA TYR A 6 7.486 -7.316 16.528 1.00 22.50 H new ATOM 0 HB2 TYR A 6 7.455 -7.378 19.137 1.00 52.44 H new ATOM 0 HB3 TYR A 6 7.357 -5.629 19.067 1.00 52.44 H new ATOM 0 HD1 TYR A 6 5.545 -8.775 18.249 1.00 23.12 H new ATOM 0 HD2 TYR A 6 5.248 -4.522 18.479 1.00 14.24 H new ATOM 0 HE1 TYR A 6 3.111 -8.930 18.000 1.00 1.14 H new ATOM 0 HE2 TYR A 6 2.813 -4.691 18.253 1.00 22.30 H new ATOM 0 HH TYR A 6 1.058 -6.010 17.984 1.00 61.21 H new ATOM 119 N GLU A 7 8.530 -4.202 16.916 1.00 32.30 N ATOM 120 CA GLU A 7 8.513 -2.835 16.368 1.00 34.31 C ATOM 121 C GLU A 7 9.076 -2.759 14.934 1.00 51.51 C ATOM 122 O GLU A 7 8.567 -1.992 14.142 1.00 64.42 O ATOM 123 CB GLU A 7 9.296 -1.881 17.309 1.00 35.24 C ATOM 124 CG GLU A 7 8.592 -1.624 18.664 1.00 10.50 C ATOM 125 CD GLU A 7 9.410 -0.759 19.643 1.00 54.32 C ATOM 126 OE1 GLU A 7 10.567 -1.118 19.940 1.00 0.31 O ATOM 127 OE2 GLU A 7 8.893 0.267 20.141 1.00 20.31 O ATOM 0 H GLU A 7 9.165 -4.313 17.706 1.00 32.30 H new ATOM 0 HA GLU A 7 7.470 -2.522 16.310 1.00 34.31 H new ATOM 0 HB2 GLU A 7 10.284 -2.301 17.497 1.00 35.24 H new ATOM 0 HB3 GLU A 7 9.447 -0.928 16.802 1.00 35.24 H new ATOM 0 HG2 GLU A 7 7.635 -1.137 18.478 1.00 10.50 H new ATOM 0 HG3 GLU A 7 8.375 -2.582 19.136 1.00 10.50 H new ATOM 134 N GLN A 8 10.115 -3.565 14.611 1.00 65.52 N ATOM 135 CA GLN A 8 10.804 -3.497 13.295 1.00 72.23 C ATOM 136 C GLN A 8 9.860 -3.917 12.170 1.00 3.35 C ATOM 137 O GLN A 8 9.546 -3.103 11.284 1.00 32.31 O ATOM 138 CB GLN A 8 12.108 -4.360 13.239 1.00 21.01 C ATOM 139 CG GLN A 8 13.169 -4.033 14.313 1.00 24.24 C ATOM 140 CD GLN A 8 13.349 -2.530 14.587 1.00 72.12 C ATOM 141 OE1 GLN A 8 14.195 -1.863 13.994 1.00 14.24 O ATOM 142 NE2 GLN A 8 12.531 -1.986 15.484 1.00 4.41 N ATOM 0 H GLN A 8 10.496 -4.270 15.242 1.00 65.52 H new ATOM 0 HA GLN A 8 11.100 -2.457 13.161 1.00 72.23 H new ATOM 0 HB2 GLN A 8 11.832 -5.410 13.334 1.00 21.01 H new ATOM 0 HB3 GLN A 8 12.562 -4.237 12.256 1.00 21.01 H new ATOM 0 HG2 GLN A 8 12.893 -4.530 15.243 1.00 24.24 H new ATOM 0 HG3 GLN A 8 14.126 -4.451 14.001 1.00 24.24 H new ATOM 0 HE21 GLN A 8 11.839 -2.565 15.960 1.00 4.41 H new ATOM 0 HE22 GLN A 8 12.596 -0.990 15.696 1.00 4.41 H new ATOM 151 N ILE A 9 9.393 -5.187 12.223 1.00 55.32 N ATOM 152 CA ILE A 9 8.506 -5.723 11.181 1.00 63.30 C ATOM 153 C ILE A 9 7.145 -4.991 11.164 1.00 23.10 C ATOM 154 O ILE A 9 6.610 -4.736 10.093 1.00 40.12 O ATOM 155 CB ILE A 9 8.236 -7.260 11.324 1.00 64.44 C ATOM 156 CG1 ILE A 9 9.543 -8.059 11.561 1.00 64.13 C ATOM 157 CG2 ILE A 9 7.514 -7.791 10.057 1.00 72.33 C ATOM 158 CD1 ILE A 9 9.304 -9.549 11.702 1.00 52.01 C ATOM 0 H ILE A 9 9.616 -5.846 12.969 1.00 55.32 H new ATOM 0 HA ILE A 9 9.039 -5.554 10.245 1.00 63.30 H new ATOM 0 HB ILE A 9 7.599 -7.403 12.197 1.00 64.44 H new ATOM 0 HG12 ILE A 9 10.227 -7.882 10.731 1.00 64.13 H new ATOM 0 HG13 ILE A 9 10.032 -7.687 12.461 1.00 64.13 H new ATOM 0 HG21 ILE A 9 7.330 -8.860 10.164 1.00 72.33 H new ATOM 0 HG22 ILE A 9 6.565 -7.270 9.934 1.00 72.33 H new ATOM 0 HG23 ILE A 9 8.140 -7.617 9.182 1.00 72.33 H new ATOM 0 HD11 ILE A 9 10.255 -10.056 11.866 1.00 52.01 H new ATOM 0 HD12 ILE A 9 8.644 -9.733 12.549 1.00 52.01 H new ATOM 0 HD13 ILE A 9 8.841 -9.931 10.792 1.00 52.01 H new ATOM 170 N LEU A 10 6.588 -4.675 12.359 1.00 5.40 N ATOM 171 CA LEU A 10 5.250 -4.041 12.463 1.00 74.54 C ATOM 172 C LEU A 10 5.271 -2.560 12.037 1.00 11.23 C ATOM 173 O LEU A 10 4.253 -2.044 11.577 1.00 35.24 O ATOM 174 CB LEU A 10 4.642 -4.173 13.881 1.00 1.42 C ATOM 175 CG LEU A 10 3.108 -3.865 13.981 1.00 52.20 C ATOM 176 CD1 LEU A 10 2.266 -4.903 13.207 1.00 63.44 C ATOM 177 CD2 LEU A 10 2.648 -3.750 15.442 1.00 72.55 C ATOM 0 H LEU A 10 7.040 -4.847 13.257 1.00 5.40 H new ATOM 0 HA LEU A 10 4.613 -4.588 11.768 1.00 74.54 H new ATOM 0 HB2 LEU A 10 4.817 -5.187 14.241 1.00 1.42 H new ATOM 0 HB3 LEU A 10 5.176 -3.500 14.552 1.00 1.42 H new ATOM 0 HG LEU A 10 2.945 -2.896 13.509 1.00 52.20 H new ATOM 0 HD11 LEU A 10 1.208 -4.656 13.300 1.00 63.44 H new ATOM 0 HD12 LEU A 10 2.550 -4.891 12.155 1.00 63.44 H new ATOM 0 HD13 LEU A 10 2.444 -5.896 13.619 1.00 63.44 H new ATOM 0 HD21 LEU A 10 1.580 -3.536 15.471 1.00 72.55 H new ATOM 0 HD22 LEU A 10 2.845 -4.689 15.960 1.00 72.55 H new ATOM 0 HD23 LEU A 10 3.193 -2.944 15.933 1.00 72.55 H new ATOM 189 N ALA A 11 6.421 -1.884 12.201 1.00 74.22 N ATOM 190 CA ALA A 11 6.605 -0.509 11.682 1.00 50.43 C ATOM 191 C ALA A 11 6.557 -0.535 10.156 1.00 11.12 C ATOM 192 O ALA A 11 5.932 0.324 9.523 1.00 52.04 O ATOM 193 CB ALA A 11 7.931 0.111 12.149 1.00 41.45 C ATOM 0 H ALA A 11 7.236 -2.261 12.685 1.00 74.22 H new ATOM 0 HA ALA A 11 5.798 0.109 12.076 1.00 50.43 H new ATOM 0 HB1 ALA A 11 8.024 1.119 11.745 1.00 41.45 H new ATOM 0 HB2 ALA A 11 7.949 0.154 13.238 1.00 41.45 H new ATOM 0 HB3 ALA A 11 8.762 -0.499 11.796 1.00 41.45 H new ATOM 199 N GLU A 12 7.223 -1.553 9.577 1.00 25.24 N ATOM 200 CA GLU A 12 7.223 -1.769 8.134 1.00 54.45 C ATOM 201 C GLU A 12 5.815 -2.182 7.669 1.00 34.35 C ATOM 202 O GLU A 12 5.341 -1.693 6.668 1.00 23.54 O ATOM 203 CB GLU A 12 8.266 -2.839 7.720 1.00 45.40 C ATOM 204 CG GLU A 12 8.562 -2.882 6.202 1.00 53.23 C ATOM 205 CD GLU A 12 9.412 -1.691 5.701 1.00 63.23 C ATOM 206 OE1 GLU A 12 10.587 -1.889 5.329 1.00 60.13 O ATOM 207 OE2 GLU A 12 8.902 -0.555 5.658 1.00 42.53 O ATOM 0 H GLU A 12 7.769 -2.238 10.099 1.00 25.24 H new ATOM 0 HA GLU A 12 7.502 -0.834 7.649 1.00 54.45 H new ATOM 0 HB2 GLU A 12 9.197 -2.649 8.255 1.00 45.40 H new ATOM 0 HB3 GLU A 12 7.910 -3.819 8.037 1.00 45.40 H new ATOM 0 HG2 GLU A 12 9.081 -3.811 5.968 1.00 53.23 H new ATOM 0 HG3 GLU A 12 7.618 -2.898 5.657 1.00 53.23 H new ATOM 214 N ASN A 13 5.154 -3.030 8.478 1.00 63.23 N ATOM 215 CA ASN A 13 3.813 -3.597 8.208 1.00 74.14 C ATOM 216 C ASN A 13 2.756 -2.474 8.127 1.00 72.13 C ATOM 217 O ASN A 13 1.923 -2.461 7.219 1.00 44.42 O ATOM 218 CB ASN A 13 3.451 -4.595 9.342 1.00 12.55 C ATOM 219 CG ASN A 13 2.110 -5.312 9.167 1.00 51.11 C ATOM 220 OD1 ASN A 13 2.143 -6.544 8.680 1.00 3.03 O flip ATOM 221 ND2 ASN A 13 1.054 -4.777 9.504 1.00 42.22 N flip ATOM 0 H ASN A 13 5.546 -3.351 9.363 1.00 63.23 H new ATOM 0 HA ASN A 13 3.826 -4.118 7.251 1.00 74.14 H new ATOM 0 HB2 ASN A 13 4.240 -5.344 9.413 1.00 12.55 H new ATOM 0 HB3 ASN A 13 3.437 -4.056 10.289 1.00 12.55 H new ATOM 0 HD21 ASN A 13 1.059 -3.827 9.876 1.00 42.22 H new ATOM 0 HD22 ASN A 13 0.173 -5.283 9.412 1.00 42.22 H new ATOM 228 N GLU A 14 2.840 -1.532 9.094 1.00 61.24 N ATOM 229 CA GLU A 14 2.009 -0.312 9.144 1.00 1.35 C ATOM 230 C GLU A 14 2.203 0.511 7.868 1.00 65.32 C ATOM 231 O GLU A 14 1.228 0.923 7.227 1.00 21.42 O ATOM 232 CB GLU A 14 2.369 0.546 10.410 1.00 43.14 C ATOM 233 CG GLU A 14 2.195 2.075 10.221 1.00 31.15 C ATOM 234 CD GLU A 14 2.369 2.898 11.507 1.00 23.03 C ATOM 235 OE1 GLU A 14 3.413 3.572 11.658 1.00 3.14 O ATOM 236 OE2 GLU A 14 1.461 2.878 12.364 1.00 4.12 O ATOM 0 H GLU A 14 3.497 -1.601 9.871 1.00 61.24 H new ATOM 0 HA GLU A 14 0.962 -0.606 9.214 1.00 1.35 H new ATOM 0 HB2 GLU A 14 1.744 0.222 11.242 1.00 43.14 H new ATOM 0 HB3 GLU A 14 3.403 0.342 10.689 1.00 43.14 H new ATOM 0 HG2 GLU A 14 2.917 2.422 9.482 1.00 31.15 H new ATOM 0 HG3 GLU A 14 1.203 2.268 9.812 1.00 31.15 H new ATOM 243 N LYS A 15 3.484 0.748 7.534 1.00 22.05 N ATOM 244 CA LYS A 15 3.871 1.522 6.357 1.00 63.33 C ATOM 245 C LYS A 15 3.331 0.862 5.079 1.00 62.12 C ATOM 246 O LYS A 15 2.797 1.543 4.223 1.00 32.15 O ATOM 247 CB LYS A 15 5.410 1.650 6.256 1.00 22.24 C ATOM 248 CG LYS A 15 5.901 2.585 5.103 1.00 14.31 C ATOM 249 CD LYS A 15 7.147 2.055 4.356 1.00 4.30 C ATOM 250 CE LYS A 15 6.834 0.805 3.511 1.00 41.42 C ATOM 251 NZ LYS A 15 8.066 0.236 2.900 1.00 51.34 N ATOM 0 H LYS A 15 4.276 0.405 8.078 1.00 22.05 H new ATOM 0 HA LYS A 15 3.441 2.518 6.461 1.00 63.33 H new ATOM 0 HB2 LYS A 15 5.795 2.027 7.203 1.00 22.24 H new ATOM 0 HB3 LYS A 15 5.837 0.658 6.111 1.00 22.24 H new ATOM 0 HG2 LYS A 15 5.090 2.720 4.387 1.00 14.31 H new ATOM 0 HG3 LYS A 15 6.128 3.568 5.517 1.00 14.31 H new ATOM 0 HD2 LYS A 15 7.541 2.839 3.709 1.00 4.30 H new ATOM 0 HD3 LYS A 15 7.927 1.816 5.079 1.00 4.30 H new ATOM 0 HE2 LYS A 15 6.356 0.052 4.137 1.00 41.42 H new ATOM 0 HE3 LYS A 15 6.124 1.064 2.726 1.00 41.42 H new ATOM 0 HZ1 LYS A 15 7.805 -0.506 2.220 1.00 51.34 H new ATOM 0 HZ2 LYS A 15 8.589 0.988 2.408 1.00 51.34 H new ATOM 0 HZ3 LYS A 15 8.666 -0.172 3.645 1.00 51.34 H new ATOM 265 N LEU A 16 3.441 -0.483 5.011 1.00 35.22 N ATOM 266 CA LEU A 16 2.990 -1.287 3.859 1.00 14.02 C ATOM 267 C LEU A 16 1.465 -1.211 3.714 1.00 13.35 C ATOM 268 O LEU A 16 0.939 -1.224 2.607 1.00 44.15 O ATOM 269 CB LEU A 16 3.439 -2.764 3.996 1.00 63.02 C ATOM 270 CG LEU A 16 4.972 -3.020 3.954 1.00 13.24 C ATOM 271 CD1 LEU A 16 5.304 -4.469 4.344 1.00 71.32 C ATOM 272 CD2 LEU A 16 5.575 -2.662 2.591 1.00 43.22 C ATOM 0 H LEU A 16 3.848 -1.043 5.760 1.00 35.22 H new ATOM 0 HA LEU A 16 3.451 -0.872 2.963 1.00 14.02 H new ATOM 0 HB2 LEU A 16 3.052 -3.154 4.937 1.00 63.02 H new ATOM 0 HB3 LEU A 16 2.973 -3.340 3.196 1.00 63.02 H new ATOM 0 HG LEU A 16 5.428 -2.360 4.692 1.00 13.24 H new ATOM 0 HD11 LEU A 16 6.383 -4.618 4.305 1.00 71.32 H new ATOM 0 HD12 LEU A 16 4.947 -4.665 5.355 1.00 71.32 H new ATOM 0 HD13 LEU A 16 4.818 -5.153 3.649 1.00 71.32 H new ATOM 0 HD21 LEU A 16 6.648 -2.856 2.605 1.00 43.22 H new ATOM 0 HD22 LEU A 16 5.107 -3.268 1.815 1.00 43.22 H new ATOM 0 HD23 LEU A 16 5.400 -1.607 2.382 1.00 43.22 H new ATOM 284 N LYS A 17 0.785 -1.107 4.858 1.00 34.11 N ATOM 285 CA LYS A 17 -0.669 -0.944 4.933 1.00 21.03 C ATOM 286 C LYS A 17 -1.074 0.467 4.437 1.00 52.15 C ATOM 287 O LYS A 17 -2.119 0.635 3.797 1.00 32.31 O ATOM 288 CB LYS A 17 -1.110 -1.253 6.395 1.00 71.21 C ATOM 289 CG LYS A 17 -2.618 -1.089 6.738 1.00 32.44 C ATOM 290 CD LYS A 17 -3.012 0.347 7.174 1.00 74.34 C ATOM 291 CE LYS A 17 -2.128 0.901 8.308 1.00 23.22 C ATOM 292 NZ LYS A 17 -2.634 2.208 8.815 1.00 63.32 N ATOM 0 H LYS A 17 1.236 -1.134 5.773 1.00 34.11 H new ATOM 0 HA LYS A 17 -1.189 -1.641 4.275 1.00 21.03 H new ATOM 0 HB2 LYS A 17 -0.822 -2.279 6.624 1.00 71.21 H new ATOM 0 HB3 LYS A 17 -0.541 -0.606 7.062 1.00 71.21 H new ATOM 0 HG2 LYS A 17 -3.211 -1.369 5.867 1.00 32.44 H new ATOM 0 HG3 LYS A 17 -2.876 -1.784 7.537 1.00 32.44 H new ATOM 0 HD2 LYS A 17 -2.946 1.012 6.313 1.00 74.34 H new ATOM 0 HD3 LYS A 17 -4.052 0.348 7.499 1.00 74.34 H new ATOM 0 HE2 LYS A 17 -2.094 0.182 9.127 1.00 23.22 H new ATOM 0 HE3 LYS A 17 -1.107 1.022 7.947 1.00 23.22 H new ATOM 0 HZ1 LYS A 17 -2.013 2.549 9.577 1.00 63.32 H new ATOM 0 HZ2 LYS A 17 -2.643 2.901 8.040 1.00 63.32 H new ATOM 0 HZ3 LYS A 17 -3.599 2.087 9.183 1.00 63.32 H new ATOM 306 N ALA A 18 -0.204 1.457 4.688 1.00 72.01 N ATOM 307 CA ALA A 18 -0.460 2.867 4.348 1.00 23.13 C ATOM 308 C ALA A 18 -0.247 3.122 2.845 1.00 11.35 C ATOM 309 O ALA A 18 -1.097 3.727 2.181 1.00 31.12 O ATOM 310 CB ALA A 18 0.456 3.771 5.182 1.00 53.03 C ATOM 0 H ALA A 18 0.700 1.303 5.134 1.00 72.01 H new ATOM 0 HA ALA A 18 -1.500 3.098 4.579 1.00 23.13 H new ATOM 0 HB1 ALA A 18 0.266 4.814 4.929 1.00 53.03 H new ATOM 0 HB2 ALA A 18 0.257 3.612 6.242 1.00 53.03 H new ATOM 0 HB3 ALA A 18 1.497 3.530 4.968 1.00 53.03 H new ATOM 316 N GLN A 19 0.897 2.645 2.321 1.00 43.13 N ATOM 317 CA GLN A 19 1.277 2.822 0.916 1.00 60.22 C ATOM 318 C GLN A 19 0.382 2.003 -0.013 1.00 35.53 C ATOM 319 O GLN A 19 0.119 2.426 -1.138 1.00 13.41 O ATOM 320 CB GLN A 19 2.769 2.460 0.724 1.00 62.35 C ATOM 321 CG GLN A 19 3.197 1.068 1.245 1.00 71.02 C ATOM 322 CD GLN A 19 3.284 -0.025 0.184 1.00 3.11 C ATOM 323 OE1 GLN A 19 2.285 -0.891 0.121 1.00 22.32 O flip ATOM 324 NE2 GLN A 19 4.280 -0.136 -0.523 1.00 4.31 N flip ATOM 0 H GLN A 19 1.584 2.124 2.867 1.00 43.13 H new ATOM 0 HA GLN A 19 1.137 3.870 0.650 1.00 60.22 H new ATOM 0 HB2 GLN A 19 3.003 2.517 -0.339 1.00 62.35 H new ATOM 0 HB3 GLN A 19 3.374 3.216 1.224 1.00 62.35 H new ATOM 0 HG2 GLN A 19 4.170 1.162 1.727 1.00 71.02 H new ATOM 0 HG3 GLN A 19 2.490 0.752 2.012 1.00 71.02 H new ATOM 0 HE21 GLN A 19 5.034 0.547 -0.452 1.00 4.31 H new ATOM 0 HE22 GLN A 19 4.354 -0.911 -1.182 1.00 4.31 H new ATOM 333 N LEU A 20 -0.080 0.819 0.466 1.00 2.54 N ATOM 334 CA LEU A 20 -1.035 0.001 -0.301 1.00 35.32 C ATOM 335 C LEU A 20 -2.352 0.749 -0.379 1.00 13.12 C ATOM 336 O LEU A 20 -2.931 0.828 -1.439 1.00 51.40 O ATOM 337 CB LEU A 20 -1.216 -1.445 0.282 1.00 71.30 C ATOM 338 CG LEU A 20 -2.296 -1.732 1.406 1.00 61.10 C ATOM 339 CD1 LEU A 20 -3.719 -1.942 0.833 1.00 42.22 C ATOM 340 CD2 LEU A 20 -1.910 -2.946 2.267 1.00 63.31 C ATOM 0 H LEU A 20 0.192 0.421 1.365 1.00 2.54 H new ATOM 0 HA LEU A 20 -0.635 -0.151 -1.304 1.00 35.32 H new ATOM 0 HB2 LEU A 20 -1.442 -2.104 -0.557 1.00 71.30 H new ATOM 0 HB3 LEU A 20 -0.249 -1.755 0.679 1.00 71.30 H new ATOM 0 HG LEU A 20 -2.312 -0.838 2.030 1.00 61.10 H new ATOM 0 HD11 LEU A 20 -4.415 -2.135 1.649 1.00 42.22 H new ATOM 0 HD12 LEU A 20 -4.030 -1.047 0.294 1.00 42.22 H new ATOM 0 HD13 LEU A 20 -3.715 -2.793 0.151 1.00 42.22 H new ATOM 0 HD21 LEU A 20 -2.674 -3.111 3.026 1.00 63.31 H new ATOM 0 HD22 LEU A 20 -1.830 -3.830 1.634 1.00 63.31 H new ATOM 0 HD23 LEU A 20 -0.952 -2.758 2.752 1.00 63.31 H new ATOM 352 N HIS A 21 -2.793 1.311 0.777 1.00 44.20 N ATOM 353 CA HIS A 21 -4.059 2.056 0.879 1.00 75.33 C ATOM 354 C HIS A 21 -4.091 3.161 -0.175 1.00 60.50 C ATOM 355 O HIS A 21 -5.054 3.294 -0.908 1.00 25.40 O ATOM 356 CB HIS A 21 -4.224 2.652 2.303 1.00 63.33 C ATOM 357 CG HIS A 21 -5.542 3.348 2.533 1.00 0.32 C ATOM 358 ND1 HIS A 21 -5.658 4.706 2.725 1.00 11.21 N ATOM 359 CD2 HIS A 21 -6.795 2.852 2.659 1.00 1.55 C ATOM 360 CE1 HIS A 21 -6.923 5.014 2.935 1.00 41.25 C ATOM 361 NE2 HIS A 21 -7.632 3.908 2.903 1.00 71.45 N ATOM 0 H HIS A 21 -2.278 1.256 1.656 1.00 44.20 H new ATOM 0 HA HIS A 21 -4.890 1.374 0.700 1.00 75.33 H new ATOM 0 HB2 HIS A 21 -4.116 1.851 3.035 1.00 63.33 H new ATOM 0 HB3 HIS A 21 -3.415 3.360 2.484 1.00 63.33 H new ATOM 0 HD2 HIS A 21 -7.082 1.814 2.581 1.00 1.55 H new ATOM 0 HE1 HIS A 21 -7.311 6.008 3.105 1.00 41.25 H new ATOM 0 HE2 HIS A 21 -8.641 3.846 3.038 1.00 71.45 H new ATOM 370 N ASP A 22 -2.963 3.872 -0.278 1.00 2.44 N ATOM 371 CA ASP A 22 -2.762 4.955 -1.242 1.00 21.52 C ATOM 372 C ASP A 22 -2.818 4.439 -2.697 1.00 43.23 C ATOM 373 O ASP A 22 -3.541 5.002 -3.522 1.00 73.42 O ATOM 374 CB ASP A 22 -1.408 5.644 -0.953 1.00 52.01 C ATOM 375 CG ASP A 22 -1.081 6.750 -1.961 1.00 72.23 C ATOM 376 OD1 ASP A 22 -1.720 7.819 -1.909 1.00 64.23 O ATOM 377 OD2 ASP A 22 -0.184 6.561 -2.802 1.00 11.45 O ATOM 0 H ASP A 22 -2.151 3.707 0.317 1.00 2.44 H new ATOM 0 HA ASP A 22 -3.570 5.678 -1.131 1.00 21.52 H new ATOM 0 HB2 ASP A 22 -1.427 6.067 0.051 1.00 52.01 H new ATOM 0 HB3 ASP A 22 -0.614 4.897 -0.969 1.00 52.01 H new ATOM 382 N THR A 23 -2.066 3.349 -2.987 1.00 22.22 N ATOM 383 CA THR A 23 -1.989 2.764 -4.344 1.00 23.44 C ATOM 384 C THR A 23 -3.349 2.146 -4.764 1.00 23.01 C ATOM 385 O THR A 23 -3.693 2.142 -5.942 1.00 30.24 O ATOM 386 CB THR A 23 -0.859 1.675 -4.452 1.00 73.11 C ATOM 387 OG1 THR A 23 0.350 2.145 -3.841 1.00 4.54 O ATOM 388 CG2 THR A 23 -0.553 1.304 -5.918 1.00 73.52 C ATOM 0 H THR A 23 -1.502 2.857 -2.294 1.00 22.22 H new ATOM 0 HA THR A 23 -1.742 3.581 -5.023 1.00 23.44 H new ATOM 0 HB THR A 23 -1.226 0.789 -3.934 1.00 73.11 H new ATOM 0 HG1 THR A 23 0.242 2.155 -2.867 1.00 4.54 H new ATOM 0 HG21 THR A 23 0.233 0.549 -5.946 1.00 73.52 H new ATOM 0 HG22 THR A 23 -1.453 0.908 -6.389 1.00 73.52 H new ATOM 0 HG23 THR A 23 -0.222 2.192 -6.457 1.00 73.52 H new ATOM 396 N ASN A 24 -4.118 1.656 -3.768 1.00 23.02 N ATOM 397 CA ASN A 24 -5.427 1.006 -3.981 1.00 52.34 C ATOM 398 C ASN A 24 -6.485 2.067 -4.300 1.00 53.51 C ATOM 399 O ASN A 24 -7.275 1.903 -5.236 1.00 61.32 O ATOM 400 CB ASN A 24 -5.871 0.180 -2.729 1.00 64.31 C ATOM 401 CG ASN A 24 -5.153 -1.172 -2.522 1.00 42.24 C ATOM 402 OD1 ASN A 24 -3.866 -1.259 -2.820 1.00 64.14 O flip ATOM 403 ND2 ASN A 24 -5.756 -2.138 -2.057 1.00 40.44 N flip ATOM 0 H ASN A 24 -3.845 1.701 -2.786 1.00 23.02 H new ATOM 0 HA ASN A 24 -5.327 0.317 -4.820 1.00 52.34 H new ATOM 0 HB2 ASN A 24 -5.715 0.792 -1.840 1.00 64.31 H new ATOM 0 HB3 ASN A 24 -6.942 -0.007 -2.803 1.00 64.31 H new ATOM 0 HD21 ASN A 24 -6.748 -2.060 -1.831 1.00 40.44 H new ATOM 0 HD22 ASN A 24 -5.264 -3.017 -1.897 1.00 40.44 H new ATOM 410 N MET A 25 -6.482 3.152 -3.497 1.00 61.31 N ATOM 411 CA MET A 25 -7.413 4.275 -3.657 1.00 51.42 C ATOM 412 C MET A 25 -7.208 4.965 -5.006 1.00 22.20 C ATOM 413 O MET A 25 -8.174 5.169 -5.736 1.00 24.01 O ATOM 414 CB MET A 25 -7.250 5.296 -2.497 1.00 24.24 C ATOM 415 CG MET A 25 -7.635 4.786 -1.092 1.00 54.11 C ATOM 416 SD MET A 25 -9.401 4.890 -0.705 1.00 44.35 S ATOM 417 CE MET A 25 -10.072 3.428 -1.492 1.00 53.51 C ATOM 0 H MET A 25 -5.831 3.268 -2.720 1.00 61.31 H new ATOM 0 HA MET A 25 -8.427 3.877 -3.626 1.00 51.42 H new ATOM 0 HB2 MET A 25 -6.211 5.625 -2.471 1.00 24.24 H new ATOM 0 HB3 MET A 25 -7.856 6.173 -2.723 1.00 24.24 H new ATOM 0 HG2 MET A 25 -7.317 3.748 -0.998 1.00 54.11 H new ATOM 0 HG3 MET A 25 -7.080 5.358 -0.348 1.00 54.11 H new ATOM 0 HE1 MET A 25 -10.911 3.052 -0.906 1.00 53.51 H new ATOM 0 HE2 MET A 25 -10.415 3.680 -2.496 1.00 53.51 H new ATOM 0 HE3 MET A 25 -9.300 2.661 -1.554 1.00 53.51 H new ATOM 427 N GLU A 26 -5.936 5.283 -5.350 1.00 32.25 N ATOM 428 CA GLU A 26 -5.630 5.968 -6.617 1.00 42.43 C ATOM 429 C GLU A 26 -5.964 5.065 -7.814 1.00 61.31 C ATOM 430 O GLU A 26 -6.420 5.565 -8.811 1.00 11.42 O ATOM 431 CB GLU A 26 -4.161 6.455 -6.703 1.00 74.03 C ATOM 432 CG GLU A 26 -3.100 5.348 -6.861 1.00 2.25 C ATOM 433 CD GLU A 26 -1.705 5.897 -7.167 1.00 2.14 C ATOM 434 OE1 GLU A 26 -1.527 6.481 -8.258 1.00 0.45 O ATOM 435 OE2 GLU A 26 -0.792 5.757 -6.332 1.00 60.50 O ATOM 0 H GLU A 26 -5.120 5.077 -4.773 1.00 32.25 H new ATOM 0 HA GLU A 26 -6.259 6.858 -6.648 1.00 42.43 H new ATOM 0 HB2 GLU A 26 -4.073 7.140 -7.546 1.00 74.03 H new ATOM 0 HB3 GLU A 26 -3.933 7.026 -5.803 1.00 74.03 H new ATOM 0 HG2 GLU A 26 -3.059 4.758 -5.946 1.00 2.25 H new ATOM 0 HG3 GLU A 26 -3.403 4.674 -7.662 1.00 2.25 H new ATOM 442 N LEU A 27 -5.742 3.733 -7.673 1.00 43.42 N ATOM 443 CA LEU A 27 -6.121 2.723 -8.684 1.00 54.43 C ATOM 444 C LEU A 27 -7.639 2.775 -8.955 1.00 14.25 C ATOM 445 O LEU A 27 -8.065 2.698 -10.104 1.00 24.43 O ATOM 446 CB LEU A 27 -5.666 1.326 -8.161 1.00 52.33 C ATOM 447 CG LEU A 27 -5.791 0.059 -9.086 1.00 23.02 C ATOM 448 CD1 LEU A 27 -4.922 -1.080 -8.521 1.00 64.04 C ATOM 449 CD2 LEU A 27 -7.251 -0.443 -9.261 1.00 30.33 C ATOM 0 H LEU A 27 -5.293 3.332 -6.850 1.00 43.42 H new ATOM 0 HA LEU A 27 -5.629 2.925 -9.636 1.00 54.43 H new ATOM 0 HB2 LEU A 27 -4.619 1.414 -7.872 1.00 52.33 H new ATOM 0 HB3 LEU A 27 -6.232 1.121 -7.252 1.00 52.33 H new ATOM 0 HG LEU A 27 -5.444 0.361 -10.074 1.00 23.02 H new ATOM 0 HD11 LEU A 27 -5.009 -1.957 -9.162 1.00 64.04 H new ATOM 0 HD12 LEU A 27 -3.881 -0.759 -8.484 1.00 64.04 H new ATOM 0 HD13 LEU A 27 -5.260 -1.331 -7.516 1.00 64.04 H new ATOM 0 HD21 LEU A 27 -7.259 -1.318 -9.911 1.00 30.33 H new ATOM 0 HD22 LEU A 27 -7.663 -0.709 -8.288 1.00 30.33 H new ATOM 0 HD23 LEU A 27 -7.856 0.346 -9.708 1.00 30.33 H new ATOM 461 N THR A 28 -8.433 2.906 -7.875 1.00 23.31 N ATOM 462 CA THR A 28 -9.905 2.923 -7.943 1.00 65.14 C ATOM 463 C THR A 28 -10.418 4.221 -8.611 1.00 70.24 C ATOM 464 O THR A 28 -11.309 4.187 -9.471 1.00 51.52 O ATOM 465 CB THR A 28 -10.514 2.751 -6.513 1.00 4.33 C ATOM 466 OG1 THR A 28 -10.020 1.534 -5.927 1.00 13.54 O ATOM 467 CG2 THR A 28 -12.052 2.716 -6.530 1.00 54.22 C ATOM 0 H THR A 28 -8.069 3.003 -6.927 1.00 23.31 H new ATOM 0 HA THR A 28 -10.229 2.085 -8.561 1.00 65.14 H new ATOM 0 HB THR A 28 -10.210 3.616 -5.923 1.00 4.33 H new ATOM 0 HG1 THR A 28 -9.077 1.646 -5.686 1.00 13.54 H new ATOM 0 HG21 THR A 28 -12.424 2.595 -5.513 1.00 54.22 H new ATOM 0 HG22 THR A 28 -12.433 3.648 -6.947 1.00 54.22 H new ATOM 0 HG23 THR A 28 -12.390 1.880 -7.142 1.00 54.22 H new ATOM 475 N ASP A 29 -9.821 5.351 -8.216 1.00 42.32 N ATOM 476 CA ASP A 29 -10.108 6.667 -8.811 1.00 15.43 C ATOM 477 C ASP A 29 -9.657 6.697 -10.281 1.00 75.11 C ATOM 478 O ASP A 29 -10.333 7.275 -11.132 1.00 2.34 O ATOM 479 CB ASP A 29 -9.395 7.796 -8.000 1.00 42.13 C ATOM 480 CG ASP A 29 -10.037 8.084 -6.627 1.00 43.42 C ATOM 481 OD1 ASP A 29 -10.409 9.249 -6.352 1.00 24.11 O ATOM 482 OD2 ASP A 29 -10.172 7.148 -5.813 1.00 43.42 O ATOM 0 H ASP A 29 -9.123 5.382 -7.473 1.00 42.32 H new ATOM 0 HA ASP A 29 -11.184 6.840 -8.774 1.00 15.43 H new ATOM 0 HB2 ASP A 29 -8.352 7.518 -7.851 1.00 42.13 H new ATOM 0 HB3 ASP A 29 -9.400 8.712 -8.591 1.00 42.13 H new ATOM 487 N LEU A 30 -8.524 6.022 -10.564 1.00 11.13 N ATOM 488 CA LEU A 30 -7.887 6.022 -11.889 1.00 52.12 C ATOM 489 C LEU A 30 -8.701 5.162 -12.863 1.00 45.21 C ATOM 490 O LEU A 30 -8.855 5.521 -14.021 1.00 44.01 O ATOM 491 CB LEU A 30 -6.408 5.512 -11.812 1.00 10.34 C ATOM 492 CG LEU A 30 -5.423 6.099 -12.865 1.00 31.33 C ATOM 493 CD1 LEU A 30 -5.238 7.616 -12.662 1.00 52.33 C ATOM 494 CD2 LEU A 30 -4.066 5.365 -12.842 1.00 51.10 C ATOM 0 H LEU A 30 -8.026 5.460 -9.874 1.00 11.13 H new ATOM 0 HA LEU A 30 -7.864 7.049 -12.254 1.00 52.12 H new ATOM 0 HB2 LEU A 30 -6.020 5.735 -10.818 1.00 10.34 H new ATOM 0 HB3 LEU A 30 -6.414 4.427 -11.916 1.00 10.34 H new ATOM 0 HG LEU A 30 -5.862 5.942 -13.850 1.00 31.33 H new ATOM 0 HD11 LEU A 30 -4.545 8.001 -13.410 1.00 52.33 H new ATOM 0 HD12 LEU A 30 -6.200 8.117 -12.766 1.00 52.33 H new ATOM 0 HD13 LEU A 30 -4.837 7.804 -11.666 1.00 52.33 H new ATOM 0 HD21 LEU A 30 -3.404 5.801 -13.590 1.00 51.10 H new ATOM 0 HD22 LEU A 30 -3.615 5.465 -11.855 1.00 51.10 H new ATOM 0 HD23 LEU A 30 -4.220 4.309 -13.065 1.00 51.10 H new ATOM 506 N LYS A 31 -9.214 4.014 -12.379 1.00 4.14 N ATOM 507 CA LYS A 31 -10.015 3.091 -13.208 1.00 30.11 C ATOM 508 C LYS A 31 -11.368 3.742 -13.521 1.00 72.15 C ATOM 509 O LYS A 31 -11.933 3.538 -14.600 1.00 15.02 O ATOM 510 CB LYS A 31 -10.161 1.685 -12.514 1.00 44.11 C ATOM 511 CG LYS A 31 -11.165 1.585 -11.328 1.00 61.41 C ATOM 512 CD LYS A 31 -12.612 1.252 -11.778 1.00 62.31 C ATOM 513 CE LYS A 31 -13.660 1.483 -10.687 1.00 63.44 C ATOM 514 NZ LYS A 31 -15.042 1.288 -11.210 1.00 42.53 N ATOM 0 H LYS A 31 -9.088 3.703 -11.416 1.00 4.14 H new ATOM 0 HA LYS A 31 -9.503 2.906 -14.152 1.00 30.11 H new ATOM 0 HB2 LYS A 31 -10.459 0.962 -13.273 1.00 44.11 H new ATOM 0 HB3 LYS A 31 -9.178 1.381 -12.153 1.00 44.11 H new ATOM 0 HG2 LYS A 31 -10.822 0.818 -10.634 1.00 61.41 H new ATOM 0 HG3 LYS A 31 -11.169 2.529 -10.783 1.00 61.41 H new ATOM 0 HD2 LYS A 31 -12.863 1.861 -12.646 1.00 62.31 H new ATOM 0 HD3 LYS A 31 -12.654 0.210 -12.096 1.00 62.31 H new ATOM 0 HE2 LYS A 31 -13.483 0.797 -9.859 1.00 63.44 H new ATOM 0 HE3 LYS A 31 -13.558 2.493 -10.291 1.00 63.44 H new ATOM 0 HZ1 LYS A 31 -15.712 1.833 -10.631 1.00 42.53 H new ATOM 0 HZ2 LYS A 31 -15.089 1.615 -12.196 1.00 42.53 H new ATOM 0 HZ3 LYS A 31 -15.290 0.279 -11.168 1.00 42.53 H new ATOM 528 N LEU A 32 -11.865 4.538 -12.551 1.00 22.35 N ATOM 529 CA LEU A 32 -13.140 5.241 -12.659 1.00 4.10 C ATOM 530 C LEU A 32 -13.089 6.290 -13.785 1.00 44.31 C ATOM 531 O LEU A 32 -13.923 6.266 -14.687 1.00 73.45 O ATOM 532 CB LEU A 32 -13.511 5.881 -11.295 1.00 1.52 C ATOM 533 CG LEU A 32 -14.903 6.583 -11.211 1.00 43.12 C ATOM 534 CD1 LEU A 32 -16.044 5.616 -11.588 1.00 53.53 C ATOM 535 CD2 LEU A 32 -15.128 7.200 -9.814 1.00 42.22 C ATOM 0 H LEU A 32 -11.382 4.705 -11.669 1.00 22.35 H new ATOM 0 HA LEU A 32 -13.920 4.525 -12.918 1.00 4.10 H new ATOM 0 HB2 LEU A 32 -13.474 5.103 -10.532 1.00 1.52 H new ATOM 0 HB3 LEU A 32 -12.744 6.613 -11.041 1.00 1.52 H new ATOM 0 HG LEU A 32 -14.910 7.395 -11.939 1.00 43.12 H new ATOM 0 HD11 LEU A 32 -16.999 6.136 -11.519 1.00 53.53 H new ATOM 0 HD12 LEU A 32 -15.897 5.260 -12.608 1.00 53.53 H new ATOM 0 HD13 LEU A 32 -16.043 4.767 -10.904 1.00 53.53 H new ATOM 0 HD21 LEU A 32 -16.105 7.683 -9.782 1.00 42.22 H new ATOM 0 HD22 LEU A 32 -15.086 6.415 -9.059 1.00 42.22 H new ATOM 0 HD23 LEU A 32 -14.352 7.938 -9.613 1.00 42.22 H new ATOM 547 N GLN A 33 -12.073 7.178 -13.756 1.00 0.21 N ATOM 548 CA GLN A 33 -11.912 8.207 -14.805 1.00 51.53 C ATOM 549 C GLN A 33 -11.484 7.578 -16.146 1.00 5.00 C ATOM 550 O GLN A 33 -11.880 8.072 -17.215 1.00 21.30 O ATOM 551 CB GLN A 33 -10.976 9.370 -14.342 1.00 1.02 C ATOM 552 CG GLN A 33 -9.613 8.981 -13.719 1.00 25.01 C ATOM 553 CD GLN A 33 -8.458 8.973 -14.708 1.00 3.13 C ATOM 554 OE1 GLN A 33 -7.818 9.981 -14.928 1.00 1.11 O ATOM 555 NE2 GLN A 33 -8.199 7.860 -15.334 1.00 21.52 N ATOM 0 H GLN A 33 -11.360 7.204 -13.027 1.00 0.21 H new ATOM 0 HA GLN A 33 -12.886 8.664 -14.978 1.00 51.53 H new ATOM 0 HB2 GLN A 33 -10.783 10.010 -15.203 1.00 1.02 H new ATOM 0 HB3 GLN A 33 -11.520 9.971 -13.614 1.00 1.02 H new ATOM 0 HG2 GLN A 33 -9.382 9.677 -12.913 1.00 25.01 H new ATOM 0 HG3 GLN A 33 -9.700 7.991 -13.270 1.00 25.01 H new ATOM 0 HE21 GLN A 33 -8.748 7.024 -15.135 1.00 21.52 H new ATOM 0 HE22 GLN A 33 -7.447 7.825 -16.023 1.00 21.52 H new ATOM 564 N LEU A 34 -10.726 6.451 -16.079 1.00 31.30 N ATOM 565 CA LEU A 34 -10.305 5.685 -17.275 1.00 0.11 C ATOM 566 C LEU A 34 -11.507 5.399 -18.168 1.00 22.24 C ATOM 567 O LEU A 34 -11.569 5.929 -19.287 1.00 11.24 O ATOM 568 CB LEU A 34 -9.608 4.347 -16.882 1.00 50.52 C ATOM 569 CG LEU A 34 -9.467 3.258 -18.007 1.00 40.51 C ATOM 570 CD1 LEU A 34 -8.644 3.755 -19.210 1.00 1.15 C ATOM 571 CD2 LEU A 34 -8.896 1.946 -17.442 1.00 31.31 C ATOM 0 H LEU A 34 -10.394 6.054 -15.200 1.00 31.30 H new ATOM 0 HA LEU A 34 -9.584 6.294 -17.821 1.00 0.11 H new ATOM 0 HB2 LEU A 34 -8.610 4.581 -16.510 1.00 50.52 H new ATOM 0 HB3 LEU A 34 -10.162 3.907 -16.053 1.00 50.52 H new ATOM 0 HG LEU A 34 -10.472 3.058 -18.379 1.00 40.51 H new ATOM 0 HD11 LEU A 34 -8.578 2.964 -19.957 1.00 1.15 H new ATOM 0 HD12 LEU A 34 -9.129 4.628 -19.647 1.00 1.15 H new ATOM 0 HD13 LEU A 34 -7.642 4.026 -18.878 1.00 1.15 H new ATOM 0 HD21 LEU A 34 -8.810 1.212 -18.243 1.00 31.31 H new ATOM 0 HD22 LEU A 34 -7.911 2.133 -17.013 1.00 31.31 H new ATOM 0 HD23 LEU A 34 -9.562 1.563 -16.669 1.00 31.31 H new ATOM 583 N GLU A 35 -12.464 4.638 -17.578 1.00 34.52 N ATOM 584 CA GLU A 35 -13.664 4.119 -18.249 1.00 60.22 C ATOM 585 C GLU A 35 -14.637 5.253 -18.611 1.00 31.24 C ATOM 586 O GLU A 35 -15.364 5.155 -19.600 1.00 62.20 O ATOM 587 CB GLU A 35 -14.356 3.059 -17.342 1.00 3.40 C ATOM 588 CG GLU A 35 -14.919 3.627 -16.023 1.00 41.21 C ATOM 589 CD GLU A 35 -15.496 2.575 -15.074 1.00 21.22 C ATOM 590 OE1 GLU A 35 -16.606 2.073 -15.342 1.00 54.30 O ATOM 591 OE2 GLU A 35 -14.869 2.267 -14.038 1.00 62.10 O ATOM 0 H GLU A 35 -12.413 4.366 -16.596 1.00 34.52 H new ATOM 0 HA GLU A 35 -13.361 3.643 -19.182 1.00 60.22 H new ATOM 0 HB2 GLU A 35 -15.168 2.594 -17.900 1.00 3.40 H new ATOM 0 HB3 GLU A 35 -13.638 2.272 -17.109 1.00 3.40 H new ATOM 0 HG2 GLU A 35 -14.125 4.167 -15.507 1.00 41.21 H new ATOM 0 HG3 GLU A 35 -15.698 4.352 -16.258 1.00 41.21 H new ATOM 598 N LYS A 36 -14.630 6.343 -17.802 1.00 41.14 N ATOM 599 CA LYS A 36 -15.317 7.611 -18.145 1.00 25.01 C ATOM 600 C LYS A 36 -14.733 8.216 -19.440 1.00 40.30 C ATOM 601 O LYS A 36 -15.349 9.088 -20.050 1.00 4.54 O ATOM 602 CB LYS A 36 -15.176 8.634 -16.983 1.00 25.23 C ATOM 603 CG LYS A 36 -16.028 8.333 -15.727 1.00 1.12 C ATOM 604 CD LYS A 36 -15.718 9.303 -14.553 1.00 55.44 C ATOM 605 CE LYS A 36 -15.847 10.781 -14.952 1.00 75.15 C ATOM 606 NZ LYS A 36 -15.560 11.707 -13.822 1.00 63.53 N ATOM 0 H LYS A 36 -14.152 6.367 -16.901 1.00 41.14 H new ATOM 0 HA LYS A 36 -16.373 7.391 -18.304 1.00 25.01 H new ATOM 0 HB2 LYS A 36 -14.128 8.681 -16.688 1.00 25.23 H new ATOM 0 HB3 LYS A 36 -15.446 9.622 -17.356 1.00 25.23 H new ATOM 0 HG2 LYS A 36 -17.085 8.404 -15.983 1.00 1.12 H new ATOM 0 HG3 LYS A 36 -15.846 7.308 -15.405 1.00 1.12 H new ATOM 0 HD2 LYS A 36 -16.397 9.094 -13.726 1.00 55.44 H new ATOM 0 HD3 LYS A 36 -14.707 9.116 -14.191 1.00 55.44 H new ATOM 0 HE2 LYS A 36 -15.162 10.993 -15.773 1.00 75.15 H new ATOM 0 HE3 LYS A 36 -16.855 10.967 -15.322 1.00 75.15 H new ATOM 0 HZ1 LYS A 36 -15.661 12.690 -14.145 1.00 63.53 H new ATOM 0 HZ2 LYS A 36 -16.229 11.527 -13.047 1.00 63.53 H new ATOM 0 HZ3 LYS A 36 -14.589 11.552 -13.484 1.00 63.53 H new ATOM 620 N ALA A 37 -13.518 7.755 -19.788 1.00 43.13 N ATOM 621 CA ALA A 37 -12.773 8.136 -20.998 1.00 13.42 C ATOM 622 C ALA A 37 -12.091 9.443 -20.693 1.00 54.00 C ATOM 623 O ALA A 37 -12.428 10.509 -21.228 1.00 73.03 O ATOM 624 CB ALA A 37 -13.600 8.153 -22.305 1.00 41.03 C ATOM 0 H ALA A 37 -13.011 7.083 -19.212 1.00 43.13 H new ATOM 0 HA ALA A 37 -12.039 7.362 -21.223 1.00 13.42 H new ATOM 0 HB1 ALA A 37 -12.960 8.446 -23.137 1.00 41.03 H new ATOM 0 HB2 ALA A 37 -14.006 7.159 -22.492 1.00 41.03 H new ATOM 0 HB3 ALA A 37 -14.418 8.866 -22.208 1.00 41.03 H new ATOM 630 N THR A 38 -11.194 9.331 -19.706 1.00 25.04 N ATOM 631 CA THR A 38 -10.495 10.493 -19.111 1.00 34.43 C ATOM 632 C THR A 38 -9.710 11.343 -20.136 1.00 4.20 C ATOM 633 O THR A 38 -9.535 10.969 -21.302 1.00 50.43 O ATOM 634 CB THR A 38 -9.519 10.035 -17.976 1.00 31.24 C ATOM 635 OG1 THR A 38 -8.981 11.165 -17.268 1.00 53.10 O ATOM 636 CG2 THR A 38 -8.360 9.185 -18.512 1.00 50.25 C ATOM 0 H THR A 38 -10.928 8.437 -19.293 1.00 25.04 H new ATOM 0 HA THR A 38 -11.285 11.125 -18.704 1.00 34.43 H new ATOM 0 HB THR A 38 -10.111 9.422 -17.296 1.00 31.24 H new ATOM 0 HG1 THR A 38 -8.557 10.860 -16.439 1.00 53.10 H new ATOM 0 HG21 THR A 38 -7.711 8.892 -17.686 1.00 50.25 H new ATOM 0 HG22 THR A 38 -8.757 8.292 -18.996 1.00 50.25 H new ATOM 0 HG23 THR A 38 -7.787 9.765 -19.235 1.00 50.25 H new ATOM 644 N GLN A 39 -9.282 12.514 -19.667 1.00 2.22 N ATOM 645 CA GLN A 39 -8.308 13.374 -20.343 1.00 21.00 C ATOM 646 C GLN A 39 -7.116 13.608 -19.399 1.00 11.34 C ATOM 647 O GLN A 39 -5.959 13.479 -19.805 1.00 21.42 O ATOM 648 CB GLN A 39 -8.945 14.723 -20.777 1.00 32.33 C ATOM 649 CG GLN A 39 -9.901 15.367 -19.732 1.00 51.25 C ATOM 650 CD GLN A 39 -9.945 16.893 -19.780 1.00 13.42 C ATOM 651 OE1 GLN A 39 -8.787 17.505 -19.951 1.00 70.35 O flip ATOM 652 NE2 GLN A 39 -10.992 17.514 -19.581 1.00 34.31 N flip ATOM 0 H GLN A 39 -9.611 12.902 -18.783 1.00 2.22 H new ATOM 0 HA GLN A 39 -7.965 12.879 -21.252 1.00 21.00 H new ATOM 0 HB2 GLN A 39 -8.146 15.430 -20.999 1.00 32.33 H new ATOM 0 HB3 GLN A 39 -9.497 14.565 -21.703 1.00 32.33 H new ATOM 0 HG2 GLN A 39 -10.908 14.981 -19.891 1.00 51.25 H new ATOM 0 HG3 GLN A 39 -9.593 15.055 -18.734 1.00 51.25 H new ATOM 0 HE21 GLN A 39 -11.869 17.008 -19.453 1.00 34.31 H new ATOM 0 HE22 GLN A 39 -10.981 18.533 -19.544 1.00 34.31 H new ATOM 661 N ARG A 40 -7.428 13.930 -18.130 1.00 52.23 N ATOM 662 CA ARG A 40 -6.427 14.243 -17.100 1.00 65.50 C ATOM 663 C ARG A 40 -7.073 14.231 -15.701 1.00 42.22 C ATOM 664 O ARG A 40 -8.120 14.843 -15.488 1.00 61.24 O ATOM 665 CB ARG A 40 -5.784 15.634 -17.388 1.00 31.23 C ATOM 666 CG ARG A 40 -4.853 16.168 -16.276 1.00 51.14 C ATOM 667 CD ARG A 40 -4.155 17.474 -16.682 1.00 41.42 C ATOM 668 NE ARG A 40 -3.369 18.064 -15.588 1.00 13.11 N ATOM 669 CZ ARG A 40 -3.652 19.217 -14.962 1.00 63.02 C ATOM 670 NH1 ARG A 40 -4.729 19.939 -15.296 1.00 64.13 N ATOM 671 NH2 ARG A 40 -2.840 19.657 -14.017 1.00 34.24 N ATOM 0 H ARG A 40 -8.389 13.980 -17.791 1.00 52.23 H new ATOM 0 HA ARG A 40 -5.647 13.482 -17.125 1.00 65.50 H new ATOM 0 HB2 ARG A 40 -5.216 15.569 -18.316 1.00 31.23 H new ATOM 0 HB3 ARG A 40 -6.581 16.359 -17.552 1.00 31.23 H new ATOM 0 HG2 ARG A 40 -5.433 16.335 -15.368 1.00 51.14 H new ATOM 0 HG3 ARG A 40 -4.102 15.414 -16.040 1.00 51.14 H new ATOM 0 HD2 ARG A 40 -3.500 17.281 -17.531 1.00 41.42 H new ATOM 0 HD3 ARG A 40 -4.904 18.193 -17.014 1.00 41.42 H new ATOM 0 HE ARG A 40 -2.541 17.555 -15.280 1.00 13.11 H new ATOM 0 HH11 ARG A 40 -5.350 19.615 -16.037 1.00 64.13 H new ATOM 0 HH12 ARG A 40 -4.928 20.813 -14.809 1.00 64.13 H new ATOM 0 HH21 ARG A 40 -2.008 19.122 -13.770 1.00 34.24 H new ATOM 0 HH22 ARG A 40 -3.045 20.532 -13.535 1.00 34.24 H new ATOM 685 N GLN A 41 -6.415 13.545 -14.751 1.00 62.42 N ATOM 686 CA GLN A 41 -6.829 13.507 -13.325 1.00 54.24 C ATOM 687 C GLN A 41 -5.886 14.396 -12.496 1.00 24.15 C ATOM 688 O GLN A 41 -6.312 15.106 -11.580 1.00 14.53 O ATOM 689 CB GLN A 41 -6.826 12.041 -12.773 1.00 13.00 C ATOM 690 CG GLN A 41 -5.444 11.378 -12.512 1.00 53.23 C ATOM 691 CD GLN A 41 -4.544 11.146 -13.742 1.00 1.42 C ATOM 692 OE1 GLN A 41 -3.322 11.197 -13.639 1.00 74.25 O ATOM 693 NE2 GLN A 41 -5.117 10.884 -14.907 1.00 22.43 N ATOM 0 H GLN A 41 -5.577 12.997 -14.944 1.00 62.42 H new ATOM 0 HA GLN A 41 -7.848 13.886 -13.247 1.00 54.24 H new ATOM 0 HB2 GLN A 41 -7.386 12.032 -11.838 1.00 13.00 H new ATOM 0 HB3 GLN A 41 -7.373 11.414 -13.478 1.00 13.00 H new ATOM 0 HG2 GLN A 41 -4.897 11.999 -11.803 1.00 53.23 H new ATOM 0 HG3 GLN A 41 -5.614 10.416 -12.028 1.00 53.23 H new ATOM 0 HE21 GLN A 41 -6.134 10.845 -14.978 1.00 22.43 H new ATOM 0 HE22 GLN A 41 -4.541 10.721 -15.733 1.00 22.43 H new ATOM 702 N GLU A 42 -4.600 14.322 -12.880 1.00 32.22 N ATOM 703 CA GLU A 42 -3.459 14.970 -12.238 1.00 1.11 C ATOM 704 C GLU A 42 -3.166 14.390 -10.837 1.00 62.52 C ATOM 705 O GLU A 42 -3.982 14.486 -9.921 1.00 65.22 O ATOM 706 CB GLU A 42 -3.576 16.513 -12.212 1.00 31.33 C ATOM 707 CG GLU A 42 -2.253 17.217 -11.842 1.00 52.35 C ATOM 708 CD GLU A 42 -1.084 16.791 -12.751 1.00 14.24 C ATOM 709 OE1 GLU A 42 -0.884 17.424 -13.815 1.00 63.35 O ATOM 710 OE2 GLU A 42 -0.383 15.807 -12.415 1.00 12.24 O ATOM 0 H GLU A 42 -4.320 13.775 -13.694 1.00 32.22 H new ATOM 0 HA GLU A 42 -2.597 14.740 -12.864 1.00 1.11 H new ATOM 0 HB2 GLU A 42 -3.905 16.863 -13.191 1.00 31.33 H new ATOM 0 HB3 GLU A 42 -4.346 16.801 -11.496 1.00 31.33 H new ATOM 0 HG2 GLU A 42 -2.388 18.296 -11.911 1.00 52.35 H new ATOM 0 HG3 GLU A 42 -2.003 16.992 -10.805 1.00 52.35 H new ATOM 717 N ARG A 43 -1.970 13.795 -10.702 1.00 62.41 N ATOM 718 CA ARG A 43 -1.516 13.112 -9.471 1.00 72.14 C ATOM 719 C ARG A 43 -0.360 13.892 -8.829 1.00 44.13 C ATOM 720 O ARG A 43 -0.253 13.974 -7.598 1.00 63.24 O ATOM 721 CB ARG A 43 -1.072 11.663 -9.802 1.00 32.04 C ATOM 722 CG ARG A 43 -2.166 10.807 -10.488 1.00 71.11 C ATOM 723 CD ARG A 43 -1.784 9.321 -10.628 1.00 62.33 C ATOM 724 NE ARG A 43 -0.499 9.121 -11.330 1.00 24.34 N ATOM 725 CZ ARG A 43 0.184 7.958 -11.381 1.00 61.32 C ATOM 726 NH1 ARG A 43 -0.277 6.858 -10.782 1.00 55.00 N ATOM 727 NH2 ARG A 43 1.349 7.897 -12.013 1.00 20.34 N ATOM 0 H ARG A 43 -1.279 13.772 -11.452 1.00 62.41 H new ATOM 0 HA ARG A 43 -2.343 13.072 -8.762 1.00 72.14 H new ATOM 0 HB2 ARG A 43 -0.197 11.702 -10.450 1.00 32.04 H new ATOM 0 HB3 ARG A 43 -0.764 11.169 -8.880 1.00 32.04 H new ATOM 0 HG2 ARG A 43 -3.090 10.884 -9.915 1.00 71.11 H new ATOM 0 HG3 ARG A 43 -2.370 11.217 -11.477 1.00 71.11 H new ATOM 0 HD2 ARG A 43 -1.724 8.871 -9.637 1.00 62.33 H new ATOM 0 HD3 ARG A 43 -2.573 8.798 -11.168 1.00 62.33 H new ATOM 0 HE ARG A 43 -0.097 9.924 -11.813 1.00 24.34 H new ATOM 0 HH11 ARG A 43 -1.161 6.886 -10.274 1.00 55.00 H new ATOM 0 HH12 ARG A 43 0.255 5.989 -10.833 1.00 55.00 H new ATOM 0 HH21 ARG A 43 1.730 8.730 -12.462 1.00 20.34 H new ATOM 0 HH22 ARG A 43 1.864 7.017 -12.050 1.00 20.34 H new ATOM 741 N PHE A 44 0.508 14.457 -9.681 1.00 33.33 N ATOM 742 CA PHE A 44 1.650 15.296 -9.254 1.00 72.23 C ATOM 743 C PHE A 44 1.502 16.709 -9.827 1.00 42.55 C ATOM 744 O PHE A 44 0.467 17.363 -9.664 1.00 63.42 O ATOM 745 CB PHE A 44 2.989 14.655 -9.712 1.00 15.14 C ATOM 746 CG PHE A 44 4.249 15.447 -9.329 1.00 75.21 C ATOM 747 CD1 PHE A 44 4.615 15.610 -7.990 1.00 2.00 C ATOM 748 CD2 PHE A 44 5.071 16.020 -10.304 1.00 34.22 C ATOM 749 CE1 PHE A 44 5.756 16.313 -7.643 1.00 11.43 C ATOM 750 CE2 PHE A 44 6.210 16.725 -9.952 1.00 61.05 C ATOM 751 CZ PHE A 44 6.551 16.871 -8.623 1.00 1.52 C ATOM 0 H PHE A 44 0.442 14.347 -10.693 1.00 33.33 H new ATOM 0 HA PHE A 44 1.657 15.361 -8.166 1.00 72.23 H new ATOM 0 HB2 PHE A 44 3.062 13.655 -9.284 1.00 15.14 H new ATOM 0 HB3 PHE A 44 2.967 14.537 -10.795 1.00 15.14 H new ATOM 0 HD1 PHE A 44 3.998 15.181 -7.214 1.00 2.00 H new ATOM 0 HD2 PHE A 44 4.814 15.911 -11.347 1.00 34.22 H new ATOM 0 HE1 PHE A 44 6.024 16.425 -6.603 1.00 11.43 H new ATOM 0 HE2 PHE A 44 6.832 17.161 -10.719 1.00 61.05 H new ATOM 0 HZ PHE A 44 7.439 17.421 -8.350 1.00 1.52 H new TER 761 PHE A 44 ATOM 762 N ASP B 101 8.165 -18.039 22.364 1.00 64.43 N ATOM 763 CA ASP B 101 6.894 -17.322 22.467 1.00 24.52 C ATOM 764 C ASP B 101 6.957 -16.003 21.680 1.00 31.33 C ATOM 765 O ASP B 101 5.941 -15.333 21.483 1.00 3.12 O ATOM 766 CB ASP B 101 6.547 -17.046 23.952 1.00 2.14 C ATOM 767 CG ASP B 101 6.534 -18.325 24.812 1.00 21.24 C ATOM 768 OD1 ASP B 101 5.491 -19.014 24.869 1.00 30.10 O ATOM 769 OD2 ASP B 101 7.574 -18.656 25.423 1.00 23.12 O ATOM 0 HA ASP B 101 6.110 -17.946 22.038 1.00 24.52 H new ATOM 0 HB2 ASP B 101 7.271 -16.344 24.365 1.00 2.14 H new ATOM 0 HB3 ASP B 101 5.570 -16.566 24.009 1.00 2.14 H new ATOM 774 N PHE B 102 8.171 -15.637 21.256 1.00 52.43 N ATOM 775 CA PHE B 102 8.445 -14.398 20.503 1.00 50.45 C ATOM 776 C PHE B 102 8.957 -14.704 19.088 1.00 55.01 C ATOM 777 O PHE B 102 8.856 -13.859 18.188 1.00 62.12 O ATOM 778 CB PHE B 102 9.472 -13.548 21.271 1.00 24.21 C ATOM 779 CG PHE B 102 8.993 -13.060 22.636 1.00 3.53 C ATOM 780 CD1 PHE B 102 9.228 -13.801 23.793 1.00 72.52 C ATOM 781 CD2 PHE B 102 8.316 -11.850 22.759 1.00 10.54 C ATOM 782 CE1 PHE B 102 8.798 -13.344 25.020 1.00 13.10 C ATOM 783 CE2 PHE B 102 7.889 -11.394 23.982 1.00 44.24 C ATOM 784 CZ PHE B 102 8.130 -12.139 25.118 1.00 55.35 C ATOM 0 H PHE B 102 9.006 -16.198 21.426 1.00 52.43 H new ATOM 0 HA PHE B 102 7.513 -13.842 20.402 1.00 50.45 H new ATOM 0 HB2 PHE B 102 10.381 -14.134 21.407 1.00 24.21 H new ATOM 0 HB3 PHE B 102 9.738 -12.684 20.662 1.00 24.21 H new ATOM 0 HD1 PHE B 102 9.752 -14.743 23.727 1.00 72.52 H new ATOM 0 HD2 PHE B 102 8.123 -11.259 21.876 1.00 10.54 H new ATOM 0 HE1 PHE B 102 8.984 -13.930 25.908 1.00 13.10 H new ATOM 0 HE2 PHE B 102 7.365 -10.453 24.055 1.00 44.24 H new ATOM 0 HZ PHE B 102 7.797 -11.781 26.081 1.00 55.35 H new ATOM 794 N LYS B 103 9.498 -15.918 18.879 1.00 71.00 N ATOM 795 CA LYS B 103 9.913 -16.363 17.531 1.00 44.23 C ATOM 796 C LYS B 103 8.676 -16.375 16.603 1.00 14.22 C ATOM 797 O LYS B 103 8.765 -16.081 15.405 1.00 14.01 O ATOM 798 CB LYS B 103 10.605 -17.767 17.566 1.00 44.42 C ATOM 799 CG LYS B 103 9.665 -18.998 17.617 1.00 61.40 C ATOM 800 CD LYS B 103 8.979 -19.241 18.988 1.00 34.13 C ATOM 801 CE LYS B 103 9.874 -20.020 19.973 1.00 20.45 C ATOM 802 NZ LYS B 103 9.114 -20.482 21.174 1.00 45.14 N ATOM 0 H LYS B 103 9.658 -16.604 19.617 1.00 71.00 H new ATOM 0 HA LYS B 103 10.653 -15.663 17.144 1.00 44.23 H new ATOM 0 HB2 LYS B 103 11.239 -17.858 16.684 1.00 44.42 H new ATOM 0 HB3 LYS B 103 11.262 -17.803 18.435 1.00 44.42 H new ATOM 0 HG2 LYS B 103 8.893 -18.879 16.857 1.00 61.40 H new ATOM 0 HG3 LYS B 103 10.239 -19.886 17.352 1.00 61.40 H new ATOM 0 HD2 LYS B 103 8.709 -18.282 19.430 1.00 34.13 H new ATOM 0 HD3 LYS B 103 8.052 -19.792 18.833 1.00 34.13 H new ATOM 0 HE2 LYS B 103 10.308 -20.881 19.465 1.00 20.45 H new ATOM 0 HE3 LYS B 103 10.702 -19.386 20.290 1.00 20.45 H new ATOM 0 HZ1 LYS B 103 9.689 -21.166 21.707 1.00 45.14 H new ATOM 0 HZ2 LYS B 103 8.895 -19.667 21.781 1.00 45.14 H new ATOM 0 HZ3 LYS B 103 8.228 -20.935 20.871 1.00 45.14 H new ATOM 816 N LYS B 104 7.510 -16.685 17.220 1.00 71.01 N ATOM 817 CA LYS B 104 6.224 -16.693 16.544 1.00 24.44 C ATOM 818 C LYS B 104 5.791 -15.273 16.151 1.00 63.23 C ATOM 819 O LYS B 104 5.199 -15.124 15.102 1.00 43.12 O ATOM 820 CB LYS B 104 5.156 -17.414 17.412 1.00 40.53 C ATOM 821 CG LYS B 104 4.820 -16.769 18.785 1.00 31.34 C ATOM 822 CD LYS B 104 3.703 -15.696 18.754 1.00 43.31 C ATOM 823 CE LYS B 104 2.391 -16.177 18.103 1.00 0.20 C ATOM 824 NZ LYS B 104 1.838 -17.395 18.759 1.00 10.35 N ATOM 0 H LYS B 104 7.453 -16.936 18.207 1.00 71.01 H new ATOM 0 HA LYS B 104 6.326 -17.256 15.616 1.00 24.44 H new ATOM 0 HB2 LYS B 104 4.235 -17.480 16.833 1.00 40.53 H new ATOM 0 HB3 LYS B 104 5.495 -18.435 17.590 1.00 40.53 H new ATOM 0 HG2 LYS B 104 4.525 -17.558 19.477 1.00 31.34 H new ATOM 0 HG3 LYS B 104 5.726 -16.316 19.187 1.00 31.34 H new ATOM 0 HD2 LYS B 104 3.494 -15.374 19.774 1.00 43.31 H new ATOM 0 HD3 LYS B 104 4.067 -14.823 18.212 1.00 43.31 H new ATOM 0 HE2 LYS B 104 1.652 -15.377 18.149 1.00 0.20 H new ATOM 0 HE3 LYS B 104 2.569 -16.386 17.048 1.00 0.20 H new ATOM 0 HZ1 LYS B 104 0.939 -17.656 18.305 1.00 10.35 H new ATOM 0 HZ2 LYS B 104 2.515 -18.179 18.663 1.00 10.35 H new ATOM 0 HZ3 LYS B 104 1.673 -17.202 19.767 1.00 10.35 H new ATOM 838 N LEU B 105 6.095 -14.225 16.990 1.00 74.45 N ATOM 839 CA LEU B 105 5.715 -12.824 16.652 1.00 22.25 C ATOM 840 C LEU B 105 6.411 -12.440 15.354 1.00 33.22 C ATOM 841 O LEU B 105 5.802 -11.821 14.470 1.00 42.22 O ATOM 842 CB LEU B 105 6.006 -11.777 17.812 1.00 21.41 C ATOM 843 CG LEU B 105 7.454 -11.124 17.964 1.00 53.45 C ATOM 844 CD1 LEU B 105 7.752 -10.013 16.927 1.00 43.44 C ATOM 845 CD2 LEU B 105 7.692 -10.572 19.383 1.00 31.53 C ATOM 0 H LEU B 105 6.588 -14.328 17.877 1.00 74.45 H new ATOM 0 HA LEU B 105 4.633 -12.789 16.527 1.00 22.25 H new ATOM 0 HB2 LEU B 105 5.294 -10.960 17.695 1.00 21.41 H new ATOM 0 HB3 LEU B 105 5.773 -12.269 18.756 1.00 21.41 H new ATOM 0 HG LEU B 105 8.145 -11.945 17.772 1.00 53.45 H new ATOM 0 HD11 LEU B 105 8.754 -9.618 17.095 1.00 43.44 H new ATOM 0 HD12 LEU B 105 7.689 -10.428 15.921 1.00 43.44 H new ATOM 0 HD13 LEU B 105 7.023 -9.210 17.035 1.00 43.44 H new ATOM 0 HD21 LEU B 105 8.690 -10.137 19.442 1.00 31.53 H new ATOM 0 HD22 LEU B 105 6.949 -9.806 19.605 1.00 31.53 H new ATOM 0 HD23 LEU B 105 7.606 -11.382 20.108 1.00 31.53 H new ATOM 857 N TYR B 106 7.713 -12.831 15.269 1.00 12.32 N ATOM 858 CA TYR B 106 8.533 -12.608 14.079 1.00 53.42 C ATOM 859 C TYR B 106 7.845 -13.237 12.854 1.00 42.11 C ATOM 860 O TYR B 106 7.690 -12.585 11.835 1.00 63.42 O ATOM 861 CB TYR B 106 9.965 -13.185 14.288 1.00 34.10 C ATOM 862 CG TYR B 106 10.989 -12.679 13.266 1.00 50.42 C ATOM 863 CD1 TYR B 106 11.560 -11.420 13.409 1.00 43.14 C ATOM 864 CD2 TYR B 106 11.367 -13.432 12.159 1.00 62.23 C ATOM 865 CE1 TYR B 106 12.469 -10.926 12.498 1.00 31.40 C ATOM 866 CE2 TYR B 106 12.279 -12.947 11.243 1.00 25.13 C ATOM 867 CZ TYR B 106 12.826 -11.693 11.414 1.00 72.44 C ATOM 868 OH TYR B 106 13.734 -11.211 10.497 1.00 62.13 O ATOM 0 H TYR B 106 8.206 -13.305 16.026 1.00 12.32 H new ATOM 0 HA TYR B 106 8.635 -11.537 13.904 1.00 53.42 H new ATOM 0 HB2 TYR B 106 10.308 -12.928 15.290 1.00 34.10 H new ATOM 0 HB3 TYR B 106 9.920 -14.273 14.236 1.00 34.10 H new ATOM 0 HD1 TYR B 106 11.284 -10.812 14.258 1.00 43.14 H new ATOM 0 HD2 TYR B 106 10.940 -14.413 12.014 1.00 62.23 H new ATOM 0 HE1 TYR B 106 12.897 -9.944 12.635 1.00 31.40 H new ATOM 0 HE2 TYR B 106 12.564 -13.549 10.393 1.00 25.13 H new ATOM 0 HH TYR B 106 13.875 -11.879 9.794 1.00 62.13 H new ATOM 878 N GLU B 107 7.362 -14.483 13.021 1.00 5.14 N ATOM 879 CA GLU B 107 6.682 -15.243 11.955 1.00 11.41 C ATOM 880 C GLU B 107 5.338 -14.605 11.536 1.00 31.41 C ATOM 881 O GLU B 107 5.087 -14.461 10.341 1.00 14.44 O ATOM 882 CB GLU B 107 6.467 -16.709 12.415 1.00 23.34 C ATOM 883 CG GLU B 107 7.768 -17.519 12.577 1.00 22.33 C ATOM 884 CD GLU B 107 7.548 -18.892 13.223 1.00 12.33 C ATOM 885 OE1 GLU B 107 7.817 -19.049 14.432 1.00 42.34 O ATOM 886 OE2 GLU B 107 7.070 -19.817 12.531 1.00 33.41 O ATOM 0 H GLU B 107 7.433 -14.992 13.902 1.00 5.14 H new ATOM 0 HA GLU B 107 7.325 -15.223 11.075 1.00 11.41 H new ATOM 0 HB2 GLU B 107 5.934 -16.705 13.366 1.00 23.34 H new ATOM 0 HB3 GLU B 107 5.826 -17.214 11.693 1.00 23.34 H new ATOM 0 HG2 GLU B 107 8.228 -17.655 11.598 1.00 22.33 H new ATOM 0 HG3 GLU B 107 8.471 -16.948 13.183 1.00 22.33 H new ATOM 893 N GLN B 108 4.498 -14.206 12.520 1.00 73.42 N ATOM 894 CA GLN B 108 3.109 -13.744 12.253 1.00 40.11 C ATOM 895 C GLN B 108 3.108 -12.435 11.456 1.00 30.01 C ATOM 896 O GLN B 108 2.458 -12.340 10.401 1.00 23.30 O ATOM 897 CB GLN B 108 2.279 -13.555 13.567 1.00 44.02 C ATOM 898 CG GLN B 108 2.211 -14.783 14.507 1.00 75.40 C ATOM 899 CD GLN B 108 2.026 -16.121 13.779 1.00 31.31 C ATOM 900 OE1 GLN B 108 0.909 -16.570 13.529 1.00 10.21 O ATOM 901 NE2 GLN B 108 3.133 -16.766 13.439 1.00 51.31 N ATOM 0 H GLN B 108 4.755 -14.194 13.507 1.00 73.42 H new ATOM 0 HA GLN B 108 2.634 -14.528 11.664 1.00 40.11 H new ATOM 0 HB2 GLN B 108 2.702 -12.719 14.124 1.00 44.02 H new ATOM 0 HB3 GLN B 108 1.262 -13.274 13.294 1.00 44.02 H new ATOM 0 HG2 GLN B 108 3.127 -14.826 15.097 1.00 75.40 H new ATOM 0 HG3 GLN B 108 1.387 -14.646 15.207 1.00 75.40 H new ATOM 0 HE21 GLN B 108 4.045 -16.366 13.661 1.00 51.31 H new ATOM 0 HE22 GLN B 108 3.073 -17.662 12.955 1.00 51.31 H new ATOM 910 N ILE B 109 3.862 -11.439 11.966 1.00 73.32 N ATOM 911 CA ILE B 109 3.922 -10.109 11.356 1.00 42.04 C ATOM 912 C ILE B 109 4.667 -10.172 10.004 1.00 41.44 C ATOM 913 O ILE B 109 4.271 -9.499 9.063 1.00 4.53 O ATOM 914 CB ILE B 109 4.623 -9.041 12.277 1.00 30.35 C ATOM 915 CG1 ILE B 109 4.110 -9.104 13.746 1.00 13.33 C ATOM 916 CG2 ILE B 109 4.411 -7.619 11.703 1.00 12.21 C ATOM 917 CD1 ILE B 109 4.852 -8.171 14.692 1.00 60.12 C ATOM 0 H ILE B 109 4.437 -11.539 12.802 1.00 73.32 H new ATOM 0 HA ILE B 109 2.889 -9.793 11.209 1.00 42.04 H new ATOM 0 HB ILE B 109 5.688 -9.275 12.291 1.00 30.35 H new ATOM 0 HG12 ILE B 109 3.049 -8.855 13.762 1.00 13.33 H new ATOM 0 HG13 ILE B 109 4.203 -10.127 14.111 1.00 13.33 H new ATOM 0 HG21 ILE B 109 4.900 -6.889 12.348 1.00 12.21 H new ATOM 0 HG22 ILE B 109 4.839 -7.563 10.702 1.00 12.21 H new ATOM 0 HG23 ILE B 109 3.344 -7.402 11.654 1.00 12.21 H new ATOM 0 HD11 ILE B 109 4.441 -8.269 15.697 1.00 60.12 H new ATOM 0 HD12 ILE B 109 5.910 -8.433 14.706 1.00 60.12 H new ATOM 0 HD13 ILE B 109 4.738 -7.142 14.352 1.00 60.12 H new ATOM 929 N LEU B 110 5.751 -10.990 9.931 1.00 15.01 N ATOM 930 CA LEU B 110 6.577 -11.118 8.701 1.00 25.12 C ATOM 931 C LEU B 110 5.823 -11.860 7.587 1.00 35.03 C ATOM 932 O LEU B 110 6.039 -11.582 6.406 1.00 4.35 O ATOM 933 CB LEU B 110 7.928 -11.827 8.978 1.00 10.45 C ATOM 934 CG LEU B 110 9.004 -11.739 7.846 1.00 24.13 C ATOM 935 CD1 LEU B 110 9.444 -10.281 7.596 1.00 33.05 C ATOM 936 CD2 LEU B 110 10.212 -12.651 8.153 1.00 65.32 C ATOM 0 H LEU B 110 6.072 -11.569 10.707 1.00 15.01 H new ATOM 0 HA LEU B 110 6.785 -10.102 8.367 1.00 25.12 H new ATOM 0 HB2 LEU B 110 8.355 -11.406 9.888 1.00 10.45 H new ATOM 0 HB3 LEU B 110 7.727 -12.880 9.177 1.00 10.45 H new ATOM 0 HG LEU B 110 8.545 -12.100 6.926 1.00 24.13 H new ATOM 0 HD11 LEU B 110 10.192 -10.257 6.803 1.00 33.05 H new ATOM 0 HD12 LEU B 110 8.581 -9.686 7.298 1.00 33.05 H new ATOM 0 HD13 LEU B 110 9.871 -9.868 8.510 1.00 33.05 H new ATOM 0 HD21 LEU B 110 10.943 -12.569 7.349 1.00 65.32 H new ATOM 0 HD22 LEU B 110 10.670 -12.344 9.093 1.00 65.32 H new ATOM 0 HD23 LEU B 110 9.876 -13.685 8.234 1.00 65.32 H new ATOM 948 N ALA B 111 4.961 -12.818 7.969 1.00 52.24 N ATOM 949 CA ALA B 111 4.094 -13.536 7.014 1.00 70.14 C ATOM 950 C ALA B 111 3.099 -12.562 6.378 1.00 1.31 C ATOM 951 O ALA B 111 2.901 -12.563 5.159 1.00 42.12 O ATOM 952 CB ALA B 111 3.363 -14.691 7.702 1.00 50.45 C ATOM 0 H ALA B 111 4.845 -13.115 8.938 1.00 52.24 H new ATOM 0 HA ALA B 111 4.718 -13.961 6.228 1.00 70.14 H new ATOM 0 HB1 ALA B 111 2.731 -15.204 6.978 1.00 50.45 H new ATOM 0 HB2 ALA B 111 4.092 -15.392 8.109 1.00 50.45 H new ATOM 0 HB3 ALA B 111 2.745 -14.300 8.510 1.00 50.45 H new ATOM 958 N GLU B 112 2.512 -11.704 7.231 1.00 31.12 N ATOM 959 CA GLU B 112 1.631 -10.617 6.789 1.00 44.15 C ATOM 960 C GLU B 112 2.430 -9.589 5.954 1.00 31.12 C ATOM 961 O GLU B 112 1.943 -9.099 4.959 1.00 0.02 O ATOM 962 CB GLU B 112 0.984 -9.914 8.008 1.00 20.24 C ATOM 963 CG GLU B 112 -0.124 -8.896 7.650 1.00 54.51 C ATOM 964 CD GLU B 112 -1.422 -9.550 7.155 1.00 55.31 C ATOM 965 OE1 GLU B 112 -2.178 -10.092 7.991 1.00 21.42 O ATOM 966 OE2 GLU B 112 -1.707 -9.505 5.946 1.00 35.13 O ATOM 0 H GLU B 112 2.637 -11.747 8.242 1.00 31.12 H new ATOM 0 HA GLU B 112 0.842 -11.043 6.170 1.00 44.15 H new ATOM 0 HB2 GLU B 112 0.563 -10.673 8.667 1.00 20.24 H new ATOM 0 HB3 GLU B 112 1.763 -9.400 8.571 1.00 20.24 H new ATOM 0 HG2 GLU B 112 -0.345 -8.288 8.527 1.00 54.51 H new ATOM 0 HG3 GLU B 112 0.249 -8.221 6.880 1.00 54.51 H new ATOM 973 N ASN B 113 3.683 -9.335 6.371 1.00 14.34 N ATOM 974 CA ASN B 113 4.592 -8.332 5.762 1.00 70.13 C ATOM 975 C ASN B 113 4.969 -8.739 4.320 1.00 62.42 C ATOM 976 O ASN B 113 5.034 -7.894 3.423 1.00 22.24 O ATOM 977 CB ASN B 113 5.864 -8.209 6.647 1.00 20.12 C ATOM 978 CG ASN B 113 6.843 -7.098 6.255 1.00 55.13 C ATOM 979 OD1 ASN B 113 7.701 -7.284 5.398 1.00 0.23 O ATOM 980 ND2 ASN B 113 6.754 -5.944 6.911 1.00 41.45 N ATOM 0 H ASN B 113 4.106 -9.829 7.157 1.00 14.34 H new ATOM 0 HA ASN B 113 4.087 -7.367 5.710 1.00 70.13 H new ATOM 0 HB2 ASN B 113 5.552 -8.045 7.678 1.00 20.12 H new ATOM 0 HB3 ASN B 113 6.395 -9.161 6.622 1.00 20.12 H new ATOM 0 HD21 ASN B 113 7.408 -5.189 6.706 1.00 41.45 H new ATOM 0 HD22 ASN B 113 6.031 -5.814 7.619 1.00 41.45 H new ATOM 987 N GLU B 114 5.188 -10.058 4.122 1.00 23.05 N ATOM 988 CA GLU B 114 5.527 -10.650 2.807 1.00 24.02 C ATOM 989 C GLU B 114 4.280 -10.645 1.910 1.00 23.31 C ATOM 990 O GLU B 114 4.371 -10.464 0.693 1.00 32.11 O ATOM 991 CB GLU B 114 6.091 -12.112 2.979 1.00 12.32 C ATOM 992 CG GLU B 114 5.089 -13.260 2.698 1.00 52.55 C ATOM 993 CD GLU B 114 5.560 -14.634 3.191 1.00 73.34 C ATOM 994 OE1 GLU B 114 6.554 -15.163 2.651 1.00 21.22 O ATOM 995 OE2 GLU B 114 4.942 -15.184 4.125 1.00 54.32 O ATOM 0 H GLU B 114 5.134 -10.746 4.873 1.00 23.05 H new ATOM 0 HA GLU B 114 6.306 -10.051 2.336 1.00 24.02 H new ATOM 0 HB2 GLU B 114 6.947 -12.231 2.314 1.00 12.32 H new ATOM 0 HB3 GLU B 114 6.462 -12.220 3.998 1.00 12.32 H new ATOM 0 HG2 GLU B 114 4.137 -13.022 3.173 1.00 52.55 H new ATOM 0 HG3 GLU B 114 4.906 -13.314 1.625 1.00 52.55 H new ATOM 1002 N LYS B 115 3.109 -10.853 2.549 1.00 12.41 N ATOM 1003 CA LYS B 115 1.812 -10.827 1.874 1.00 54.20 C ATOM 1004 C LYS B 115 1.543 -9.405 1.368 1.00 71.12 C ATOM 1005 O LYS B 115 1.089 -9.217 0.242 1.00 2.14 O ATOM 1006 CB LYS B 115 0.684 -11.285 2.837 1.00 24.33 C ATOM 1007 CG LYS B 115 -0.693 -11.553 2.148 1.00 1.51 C ATOM 1008 CD LYS B 115 -1.886 -10.828 2.815 1.00 53.13 C ATOM 1009 CE LYS B 115 -1.801 -9.301 2.685 1.00 13.54 C ATOM 1010 NZ LYS B 115 -2.938 -8.638 3.372 1.00 24.30 N ATOM 0 H LYS B 115 3.046 -11.043 3.549 1.00 12.41 H new ATOM 0 HA LYS B 115 1.829 -11.517 1.030 1.00 54.20 H new ATOM 0 HB2 LYS B 115 1.005 -12.195 3.344 1.00 24.33 H new ATOM 0 HB3 LYS B 115 0.549 -10.523 3.605 1.00 24.33 H new ATOM 0 HG2 LYS B 115 -0.631 -11.244 1.105 1.00 1.51 H new ATOM 0 HG3 LYS B 115 -0.886 -12.626 2.151 1.00 1.51 H new ATOM 0 HD2 LYS B 115 -2.815 -11.176 2.363 1.00 53.13 H new ATOM 0 HD3 LYS B 115 -1.925 -11.097 3.871 1.00 53.13 H new ATOM 0 HE2 LYS B 115 -0.861 -8.949 3.110 1.00 13.54 H new ATOM 0 HE3 LYS B 115 -1.798 -9.023 1.631 1.00 13.54 H new ATOM 0 HZ1 LYS B 115 -2.950 -7.627 3.127 1.00 24.30 H new ATOM 0 HZ2 LYS B 115 -3.831 -9.078 3.070 1.00 24.30 H new ATOM 0 HZ3 LYS B 115 -2.831 -8.744 4.401 1.00 24.30 H new ATOM 1024 N LEU B 116 1.889 -8.419 2.226 1.00 72.31 N ATOM 1025 CA LEU B 116 1.774 -6.988 1.922 1.00 52.34 C ATOM 1026 C LEU B 116 2.750 -6.601 0.804 1.00 43.10 C ATOM 1027 O LEU B 116 2.441 -5.758 -0.025 1.00 13.35 O ATOM 1028 CB LEU B 116 2.022 -6.122 3.187 1.00 72.13 C ATOM 1029 CG LEU B 116 0.967 -6.265 4.325 1.00 73.41 C ATOM 1030 CD1 LEU B 116 1.385 -5.491 5.587 1.00 64.14 C ATOM 1031 CD2 LEU B 116 -0.435 -5.847 3.860 1.00 64.31 C ATOM 0 H LEU B 116 2.260 -8.604 3.158 1.00 72.31 H new ATOM 0 HA LEU B 116 0.757 -6.796 1.581 1.00 52.34 H new ATOM 0 HB2 LEU B 116 3.002 -6.376 3.592 1.00 72.13 H new ATOM 0 HB3 LEU B 116 2.063 -5.075 2.885 1.00 72.13 H new ATOM 0 HG LEU B 116 0.924 -7.323 4.585 1.00 73.41 H new ATOM 0 HD11 LEU B 116 0.625 -5.615 6.358 1.00 64.14 H new ATOM 0 HD12 LEU B 116 2.337 -5.876 5.951 1.00 64.14 H new ATOM 0 HD13 LEU B 116 1.490 -4.433 5.347 1.00 64.14 H new ATOM 0 HD21 LEU B 116 -1.141 -5.962 4.683 1.00 64.31 H new ATOM 0 HD22 LEU B 116 -0.417 -4.805 3.540 1.00 64.31 H new ATOM 0 HD23 LEU B 116 -0.745 -6.477 3.026 1.00 64.31 H new ATOM 1043 N LYS B 117 3.909 -7.268 0.785 1.00 31.13 N ATOM 1044 CA LYS B 117 4.960 -7.058 -0.230 1.00 14.52 C ATOM 1045 C LYS B 117 4.437 -7.502 -1.623 1.00 60.25 C ATOM 1046 O LYS B 117 4.613 -6.806 -2.634 1.00 64.55 O ATOM 1047 CB LYS B 117 6.245 -7.867 0.168 1.00 64.14 C ATOM 1048 CG LYS B 117 7.592 -7.152 -0.095 1.00 33.12 C ATOM 1049 CD LYS B 117 7.834 -5.948 0.842 1.00 3.11 C ATOM 1050 CE LYS B 117 7.806 -6.322 2.335 1.00 62.11 C ATOM 1051 NZ LYS B 117 8.772 -7.401 2.685 1.00 5.53 N ATOM 0 H LYS B 117 4.151 -7.976 1.478 1.00 31.13 H new ATOM 0 HA LYS B 117 5.218 -6.000 -0.279 1.00 14.52 H new ATOM 0 HB2 LYS B 117 6.185 -8.112 1.228 1.00 64.14 H new ATOM 0 HB3 LYS B 117 6.242 -8.811 -0.378 1.00 64.14 H new ATOM 0 HG2 LYS B 117 8.405 -7.867 0.026 1.00 33.12 H new ATOM 0 HG3 LYS B 117 7.619 -6.810 -1.130 1.00 33.12 H new ATOM 0 HD2 LYS B 117 8.799 -5.500 0.605 1.00 3.11 H new ATOM 0 HD3 LYS B 117 7.075 -5.189 0.650 1.00 3.11 H new ATOM 0 HE2 LYS B 117 8.029 -5.436 2.930 1.00 62.11 H new ATOM 0 HE3 LYS B 117 6.800 -6.642 2.605 1.00 62.11 H new ATOM 0 HZ1 LYS B 117 8.707 -7.609 3.702 1.00 5.53 H new ATOM 0 HZ2 LYS B 117 8.547 -8.258 2.141 1.00 5.53 H new ATOM 0 HZ3 LYS B 117 9.738 -7.090 2.456 1.00 5.53 H new ATOM 1065 N ALA B 118 3.745 -8.653 -1.626 1.00 2.14 N ATOM 1066 CA ALA B 118 3.256 -9.311 -2.844 1.00 55.52 C ATOM 1067 C ALA B 118 2.046 -8.565 -3.427 1.00 64.12 C ATOM 1068 O ALA B 118 1.986 -8.315 -4.636 1.00 65.22 O ATOM 1069 CB ALA B 118 2.889 -10.764 -2.522 1.00 41.44 C ATOM 0 H ALA B 118 3.508 -9.157 -0.772 1.00 2.14 H new ATOM 0 HA ALA B 118 4.046 -9.295 -3.595 1.00 55.52 H new ATOM 0 HB1 ALA B 118 2.525 -11.256 -3.424 1.00 41.44 H new ATOM 0 HB2 ALA B 118 3.770 -11.289 -2.153 1.00 41.44 H new ATOM 0 HB3 ALA B 118 2.110 -10.782 -1.760 1.00 41.44 H new ATOM 1075 N GLN B 119 1.089 -8.211 -2.545 1.00 33.05 N ATOM 1076 CA GLN B 119 -0.160 -7.544 -2.944 1.00 54.23 C ATOM 1077 C GLN B 119 0.114 -6.128 -3.469 1.00 4.14 C ATOM 1078 O GLN B 119 -0.545 -5.696 -4.401 1.00 11.24 O ATOM 1079 CB GLN B 119 -1.184 -7.532 -1.763 1.00 43.13 C ATOM 1080 CG GLN B 119 -0.733 -6.748 -0.509 1.00 20.22 C ATOM 1081 CD GLN B 119 -1.008 -5.243 -0.547 1.00 33.31 C ATOM 1082 OE1 GLN B 119 -0.081 -4.469 -0.006 1.00 62.21 O flip ATOM 1083 NE2 GLN B 119 -2.004 -4.778 -1.098 1.00 10.10 N flip ATOM 0 H GLN B 119 1.163 -8.380 -1.542 1.00 33.05 H new ATOM 0 HA GLN B 119 -0.604 -8.113 -3.761 1.00 54.23 H new ATOM 0 HB2 GLN B 119 -2.122 -7.106 -2.120 1.00 43.13 H new ATOM 0 HB3 GLN B 119 -1.392 -8.562 -1.473 1.00 43.13 H new ATOM 0 HG2 GLN B 119 -1.232 -7.170 0.363 1.00 20.22 H new ATOM 0 HG3 GLN B 119 0.337 -6.902 -0.369 1.00 20.22 H new ATOM 0 HE21 GLN B 119 -2.700 -5.403 -1.505 1.00 10.10 H new ATOM 0 HE22 GLN B 119 -2.134 -3.768 -1.148 1.00 10.10 H new ATOM 1092 N LEU B 120 1.099 -5.411 -2.853 1.00 60.05 N ATOM 1093 CA LEU B 120 1.451 -4.035 -3.276 1.00 64.44 C ATOM 1094 C LEU B 120 2.090 -4.066 -4.655 1.00 32.31 C ATOM 1095 O LEU B 120 1.827 -3.197 -5.482 1.00 52.21 O ATOM 1096 CB LEU B 120 2.364 -3.300 -2.232 1.00 5.01 C ATOM 1097 CG LEU B 120 3.897 -3.688 -2.114 1.00 14.05 C ATOM 1098 CD1 LEU B 120 4.791 -2.980 -3.163 1.00 33.41 C ATOM 1099 CD2 LEU B 120 4.446 -3.412 -0.704 1.00 32.01 C ATOM 0 H LEU B 120 1.653 -5.764 -2.072 1.00 60.05 H new ATOM 0 HA LEU B 120 0.529 -3.456 -3.328 1.00 64.44 H new ATOM 0 HB2 LEU B 120 2.315 -2.233 -2.451 1.00 5.01 H new ATOM 0 HB3 LEU B 120 1.915 -3.445 -1.249 1.00 5.01 H new ATOM 0 HG LEU B 120 3.937 -4.759 -2.315 1.00 14.05 H new ATOM 0 HD11 LEU B 120 5.827 -3.290 -3.026 1.00 33.41 H new ATOM 0 HD12 LEU B 120 4.460 -3.251 -4.166 1.00 33.41 H new ATOM 0 HD13 LEU B 120 4.715 -1.900 -3.036 1.00 33.41 H new ATOM 0 HD21 LEU B 120 5.499 -3.691 -0.663 1.00 32.01 H new ATOM 0 HD22 LEU B 120 4.342 -2.352 -0.474 1.00 32.01 H new ATOM 0 HD23 LEU B 120 3.887 -3.998 0.025 1.00 32.01 H new ATOM 1111 N HIS B 121 2.950 -5.088 -4.875 1.00 1.21 N ATOM 1112 CA HIS B 121 3.577 -5.348 -6.174 1.00 61.01 C ATOM 1113 C HIS B 121 2.491 -5.547 -7.239 1.00 44.21 C ATOM 1114 O HIS B 121 2.545 -4.944 -8.310 1.00 31.25 O ATOM 1115 CB HIS B 121 4.501 -6.592 -6.068 1.00 30.14 C ATOM 1116 CG HIS B 121 5.160 -7.008 -7.363 1.00 11.10 C ATOM 1117 ND1 HIS B 121 4.680 -8.030 -8.158 1.00 60.25 N ATOM 1118 CD2 HIS B 121 6.295 -6.577 -7.964 1.00 64.30 C ATOM 1119 CE1 HIS B 121 5.486 -8.200 -9.186 1.00 13.51 C ATOM 1120 NE2 HIS B 121 6.472 -7.334 -9.093 1.00 22.43 N ATOM 0 H HIS B 121 3.223 -5.751 -4.150 1.00 1.21 H new ATOM 0 HA HIS B 121 4.189 -4.496 -6.469 1.00 61.01 H new ATOM 0 HB2 HIS B 121 5.278 -6.388 -5.331 1.00 30.14 H new ATOM 0 HB3 HIS B 121 3.916 -7.430 -5.690 1.00 30.14 H new ATOM 0 HD2 HIS B 121 6.941 -5.784 -7.618 1.00 64.30 H new ATOM 0 HE1 HIS B 121 5.359 -8.928 -9.973 1.00 13.51 H new ATOM 0 HE2 HIS B 121 7.243 -7.241 -9.754 1.00 22.43 H new ATOM 1129 N ASP B 122 1.472 -6.340 -6.868 1.00 54.20 N ATOM 1130 CA ASP B 122 0.335 -6.678 -7.734 1.00 31.35 C ATOM 1131 C ASP B 122 -0.557 -5.441 -7.988 1.00 75.22 C ATOM 1132 O ASP B 122 -1.060 -5.266 -9.094 1.00 60.25 O ATOM 1133 CB ASP B 122 -0.482 -7.836 -7.098 1.00 72.52 C ATOM 1134 CG ASP B 122 -1.524 -8.436 -8.060 1.00 31.43 C ATOM 1135 OD1 ASP B 122 -1.168 -9.350 -8.839 1.00 51.31 O ATOM 1136 OD2 ASP B 122 -2.698 -8.002 -8.039 1.00 75.12 O ATOM 0 H ASP B 122 1.416 -6.769 -5.944 1.00 54.20 H new ATOM 0 HA ASP B 122 0.716 -7.008 -8.701 1.00 31.35 H new ATOM 0 HB2 ASP B 122 0.202 -8.621 -6.776 1.00 72.52 H new ATOM 0 HB3 ASP B 122 -0.989 -7.469 -6.206 1.00 72.52 H new ATOM 1141 N THR B 123 -0.706 -4.570 -6.963 1.00 54.42 N ATOM 1142 CA THR B 123 -1.522 -3.341 -7.057 1.00 52.45 C ATOM 1143 C THR B 123 -0.834 -2.327 -7.988 1.00 22.44 C ATOM 1144 O THR B 123 -1.495 -1.626 -8.758 1.00 4.42 O ATOM 1145 CB THR B 123 -1.761 -2.685 -5.650 1.00 62.21 C ATOM 1146 OG1 THR B 123 -2.310 -3.646 -4.733 1.00 44.05 O ATOM 1147 CG2 THR B 123 -2.722 -1.488 -5.735 1.00 31.52 C ATOM 0 H THR B 123 -0.265 -4.700 -6.052 1.00 54.42 H new ATOM 0 HA THR B 123 -2.493 -3.622 -7.464 1.00 52.45 H new ATOM 0 HB THR B 123 -0.791 -2.336 -5.295 1.00 62.21 H new ATOM 0 HG1 THR B 123 -1.721 -4.428 -4.688 1.00 44.05 H new ATOM 0 HG21 THR B 123 -2.861 -1.062 -4.741 1.00 31.52 H new ATOM 0 HG22 THR B 123 -2.303 -0.732 -6.399 1.00 31.52 H new ATOM 0 HG23 THR B 123 -3.684 -1.821 -6.125 1.00 31.52 H new ATOM 1155 N ASN B 124 0.512 -2.281 -7.908 1.00 44.24 N ATOM 1156 CA ASN B 124 1.339 -1.428 -8.777 1.00 31.44 C ATOM 1157 C ASN B 124 1.293 -1.945 -10.220 1.00 44.44 C ATOM 1158 O ASN B 124 1.383 -1.158 -11.151 1.00 54.01 O ATOM 1159 CB ASN B 124 2.810 -1.342 -8.279 1.00 65.51 C ATOM 1160 CG ASN B 124 3.016 -0.450 -7.045 1.00 43.45 C ATOM 1161 OD1 ASN B 124 2.135 -0.531 -6.061 1.00 64.43 O flip ATOM 1162 ND2 ASN B 124 3.993 0.293 -6.964 1.00 12.43 N flip ATOM 0 H ASN B 124 1.051 -2.833 -7.241 1.00 44.24 H new ATOM 0 HA ASN B 124 0.925 -0.420 -8.741 1.00 31.44 H new ATOM 0 HB2 ASN B 124 3.161 -2.348 -8.047 1.00 65.51 H new ATOM 0 HB3 ASN B 124 3.433 -0.967 -9.091 1.00 65.51 H new ATOM 0 HD21 ASN B 124 4.662 0.342 -7.733 1.00 12.43 H new ATOM 0 HD22 ASN B 124 4.135 0.860 -6.128 1.00 12.43 H new ATOM 1169 N MET B 125 1.140 -3.275 -10.385 1.00 3.41 N ATOM 1170 CA MET B 125 0.974 -3.903 -11.706 1.00 60.12 C ATOM 1171 C MET B 125 -0.348 -3.486 -12.357 1.00 22.54 C ATOM 1172 O MET B 125 -0.379 -3.212 -13.559 1.00 24.23 O ATOM 1173 CB MET B 125 1.063 -5.448 -11.600 1.00 44.44 C ATOM 1174 CG MET B 125 2.448 -6.002 -11.198 1.00 30.22 C ATOM 1175 SD MET B 125 3.546 -6.365 -12.599 1.00 62.20 S ATOM 1176 CE MET B 125 3.926 -4.747 -13.275 1.00 44.05 C ATOM 0 H MET B 125 1.128 -3.938 -9.610 1.00 3.41 H new ATOM 0 HA MET B 125 1.788 -3.554 -12.341 1.00 60.12 H new ATOM 0 HB2 MET B 125 0.328 -5.789 -10.871 1.00 44.44 H new ATOM 0 HB3 MET B 125 0.782 -5.879 -12.561 1.00 44.44 H new ATOM 0 HG2 MET B 125 2.939 -5.281 -10.545 1.00 30.22 H new ATOM 0 HG3 MET B 125 2.307 -6.913 -10.617 1.00 30.22 H new ATOM 0 HE1 MET B 125 4.842 -4.804 -13.862 1.00 44.05 H new ATOM 0 HE2 MET B 125 3.106 -4.417 -13.913 1.00 44.05 H new ATOM 0 HE3 MET B 125 4.061 -4.035 -12.461 1.00 44.05 H new ATOM 1186 N GLU B 126 -1.434 -3.425 -11.552 1.00 34.22 N ATOM 1187 CA GLU B 126 -2.749 -2.975 -12.050 1.00 44.13 C ATOM 1188 C GLU B 126 -2.720 -1.463 -12.317 1.00 44.21 C ATOM 1189 O GLU B 126 -3.396 -0.989 -13.209 1.00 5.10 O ATOM 1190 CB GLU B 126 -3.906 -3.275 -11.063 1.00 75.11 C ATOM 1191 CG GLU B 126 -3.868 -4.628 -10.349 1.00 1.24 C ATOM 1192 CD GLU B 126 -5.200 -4.958 -9.654 1.00 23.24 C ATOM 1193 OE1 GLU B 126 -5.419 -4.509 -8.511 1.00 43.52 O ATOM 1194 OE2 GLU B 126 -6.043 -5.652 -10.268 1.00 13.33 O ATOM 0 H GLU B 126 -1.424 -3.680 -10.564 1.00 34.22 H new ATOM 0 HA GLU B 126 -2.936 -3.533 -12.968 1.00 44.13 H new ATOM 0 HB2 GLU B 126 -3.919 -2.491 -10.306 1.00 75.11 H new ATOM 0 HB3 GLU B 126 -4.846 -3.205 -11.610 1.00 75.11 H new ATOM 0 HG2 GLU B 126 -3.633 -5.411 -11.070 1.00 1.24 H new ATOM 0 HG3 GLU B 126 -3.066 -4.624 -9.610 1.00 1.24 H new ATOM 1201 N LEU B 127 -1.939 -0.732 -11.495 1.00 45.22 N ATOM 1202 CA LEU B 127 -1.765 0.726 -11.611 1.00 44.40 C ATOM 1203 C LEU B 127 -0.960 1.079 -12.884 1.00 3.40 C ATOM 1204 O LEU B 127 -1.230 2.090 -13.521 1.00 72.03 O ATOM 1205 CB LEU B 127 -1.058 1.280 -10.336 1.00 42.14 C ATOM 1206 CG LEU B 127 -0.831 2.826 -10.282 1.00 43.41 C ATOM 1207 CD1 LEU B 127 -2.168 3.590 -10.213 1.00 21.42 C ATOM 1208 CD2 LEU B 127 0.103 3.213 -9.116 1.00 53.13 C ATOM 0 H LEU B 127 -1.408 -1.143 -10.727 1.00 45.22 H new ATOM 0 HA LEU B 127 -2.747 1.192 -11.695 1.00 44.40 H new ATOM 0 HB2 LEU B 127 -1.647 0.991 -9.466 1.00 42.14 H new ATOM 0 HB3 LEU B 127 -0.089 0.789 -10.242 1.00 42.14 H new ATOM 0 HG LEU B 127 -0.338 3.119 -11.209 1.00 43.41 H new ATOM 0 HD11 LEU B 127 -1.973 4.662 -10.177 1.00 21.42 H new ATOM 0 HD12 LEU B 127 -2.765 3.359 -11.095 1.00 21.42 H new ATOM 0 HD13 LEU B 127 -2.713 3.290 -9.318 1.00 21.42 H new ATOM 0 HD21 LEU B 127 0.242 4.294 -9.104 1.00 53.13 H new ATOM 0 HD22 LEU B 127 -0.341 2.894 -8.173 1.00 53.13 H new ATOM 0 HD23 LEU B 127 1.069 2.725 -9.246 1.00 53.13 H new ATOM 1220 N THR B 128 0.020 0.217 -13.240 1.00 45.43 N ATOM 1221 CA THR B 128 0.837 0.364 -14.468 1.00 12.22 C ATOM 1222 C THR B 128 0.006 -0.030 -15.707 1.00 23.11 C ATOM 1223 O THR B 128 0.121 0.573 -16.782 1.00 13.31 O ATOM 1224 CB THR B 128 2.136 -0.511 -14.384 1.00 73.43 C ATOM 1225 OG1 THR B 128 2.914 -0.118 -13.238 1.00 73.22 O ATOM 1226 CG2 THR B 128 3.015 -0.395 -15.645 1.00 4.25 C ATOM 0 H THR B 128 0.267 -0.601 -12.684 1.00 45.43 H new ATOM 0 HA THR B 128 1.136 1.408 -14.558 1.00 12.22 H new ATOM 0 HB THR B 128 1.813 -1.548 -14.297 1.00 73.43 H new ATOM 0 HG1 THR B 128 2.472 -0.429 -12.420 1.00 73.22 H new ATOM 0 HG21 THR B 128 3.900 -1.021 -15.531 1.00 4.25 H new ATOM 0 HG22 THR B 128 2.447 -0.724 -16.516 1.00 4.25 H new ATOM 0 HG23 THR B 128 3.320 0.642 -15.782 1.00 4.25 H new ATOM 1234 N ASP B 129 -0.839 -1.047 -15.509 1.00 31.50 N ATOM 1235 CA ASP B 129 -1.801 -1.530 -16.512 1.00 72.23 C ATOM 1236 C ASP B 129 -2.859 -0.458 -16.782 1.00 3.41 C ATOM 1237 O ASP B 129 -3.252 -0.238 -17.922 1.00 24.32 O ATOM 1238 CB ASP B 129 -2.472 -2.838 -16.011 1.00 1.24 C ATOM 1239 CG ASP B 129 -3.568 -3.367 -16.953 1.00 13.55 C ATOM 1240 OD1 ASP B 129 -3.241 -4.085 -17.920 1.00 42.12 O ATOM 1241 OD2 ASP B 129 -4.760 -3.073 -16.729 1.00 1.14 O ATOM 0 H ASP B 129 -0.876 -1.568 -14.633 1.00 31.50 H new ATOM 0 HA ASP B 129 -1.273 -1.740 -17.442 1.00 72.23 H new ATOM 0 HB2 ASP B 129 -1.707 -3.605 -15.889 1.00 1.24 H new ATOM 0 HB3 ASP B 129 -2.905 -2.661 -15.027 1.00 1.24 H new ATOM 1246 N LEU B 130 -3.281 0.216 -15.705 1.00 20.33 N ATOM 1247 CA LEU B 130 -4.294 1.272 -15.747 1.00 41.41 C ATOM 1248 C LEU B 130 -3.719 2.485 -16.490 1.00 24.34 C ATOM 1249 O LEU B 130 -4.360 3.057 -17.367 1.00 40.44 O ATOM 1250 CB LEU B 130 -4.714 1.655 -14.288 1.00 71.15 C ATOM 1251 CG LEU B 130 -6.217 1.979 -14.076 1.00 14.10 C ATOM 1252 CD1 LEU B 130 -6.662 3.180 -14.933 1.00 31.45 C ATOM 1253 CD2 LEU B 130 -7.085 0.724 -14.350 1.00 12.02 C ATOM 0 H LEU B 130 -2.921 0.039 -14.767 1.00 20.33 H new ATOM 0 HA LEU B 130 -5.181 0.923 -16.276 1.00 41.41 H new ATOM 0 HB2 LEU B 130 -4.443 0.833 -13.625 1.00 71.15 H new ATOM 0 HB3 LEU B 130 -4.129 2.521 -13.978 1.00 71.15 H new ATOM 0 HG LEU B 130 -6.360 2.265 -13.034 1.00 14.10 H new ATOM 0 HD11 LEU B 130 -7.720 3.379 -14.760 1.00 31.45 H new ATOM 0 HD12 LEU B 130 -6.078 4.059 -14.659 1.00 31.45 H new ATOM 0 HD13 LEU B 130 -6.504 2.953 -15.987 1.00 31.45 H new ATOM 0 HD21 LEU B 130 -8.136 0.968 -14.197 1.00 12.02 H new ATOM 0 HD22 LEU B 130 -6.935 0.395 -15.378 1.00 12.02 H new ATOM 0 HD23 LEU B 130 -6.795 -0.075 -13.668 1.00 12.02 H new ATOM 1265 N LYS B 131 -2.489 2.829 -16.100 1.00 73.42 N ATOM 1266 CA LYS B 131 -1.665 3.868 -16.714 1.00 31.24 C ATOM 1267 C LYS B 131 -1.466 3.598 -18.224 1.00 74.05 C ATOM 1268 O LYS B 131 -1.456 4.540 -19.027 1.00 74.35 O ATOM 1269 CB LYS B 131 -0.319 3.888 -15.938 1.00 51.40 C ATOM 1270 CG LYS B 131 0.842 4.656 -16.578 1.00 55.35 C ATOM 1271 CD LYS B 131 0.579 6.170 -16.725 1.00 35.45 C ATOM 1272 CE LYS B 131 1.797 6.896 -17.306 1.00 72.24 C ATOM 1273 NZ LYS B 131 2.238 6.299 -18.602 1.00 22.23 N ATOM 0 H LYS B 131 -2.023 2.372 -15.316 1.00 73.42 H new ATOM 0 HA LYS B 131 -2.147 4.844 -16.651 1.00 31.24 H new ATOM 0 HB2 LYS B 131 -0.503 4.313 -14.951 1.00 51.40 H new ATOM 0 HB3 LYS B 131 -0.000 2.857 -15.786 1.00 51.40 H new ATOM 0 HG2 LYS B 131 1.739 4.509 -15.976 1.00 55.35 H new ATOM 0 HG3 LYS B 131 1.046 4.234 -17.562 1.00 55.35 H new ATOM 0 HD2 LYS B 131 -0.284 6.330 -17.371 1.00 35.45 H new ATOM 0 HD3 LYS B 131 0.331 6.594 -15.752 1.00 35.45 H new ATOM 0 HE2 LYS B 131 1.555 7.948 -17.455 1.00 72.24 H new ATOM 0 HE3 LYS B 131 2.618 6.856 -16.590 1.00 72.24 H new ATOM 0 HZ1 LYS B 131 2.544 7.056 -19.246 1.00 22.23 H new ATOM 0 HZ2 LYS B 131 3.030 5.647 -18.432 1.00 22.23 H new ATOM 0 HZ3 LYS B 131 1.447 5.778 -19.031 1.00 22.23 H new ATOM 1287 N LEU B 132 -1.341 2.305 -18.590 1.00 65.11 N ATOM 1288 CA LEU B 132 -1.216 1.882 -19.992 1.00 45.14 C ATOM 1289 C LEU B 132 -2.555 2.096 -20.729 1.00 13.31 C ATOM 1290 O LEU B 132 -2.589 2.629 -21.842 1.00 1.32 O ATOM 1291 CB LEU B 132 -0.752 0.401 -20.085 1.00 25.34 C ATOM 1292 CG LEU B 132 -0.421 -0.123 -21.521 1.00 52.40 C ATOM 1293 CD1 LEU B 132 0.683 0.719 -22.188 1.00 32.41 C ATOM 1294 CD2 LEU B 132 -0.043 -1.621 -21.502 1.00 70.54 C ATOM 0 H LEU B 132 -1.324 1.533 -17.924 1.00 65.11 H new ATOM 0 HA LEU B 132 -0.455 2.494 -20.476 1.00 45.14 H new ATOM 0 HB2 LEU B 132 0.134 0.278 -19.462 1.00 25.34 H new ATOM 0 HB3 LEU B 132 -1.531 -0.231 -19.659 1.00 25.34 H new ATOM 0 HG LEU B 132 -1.325 -0.017 -22.121 1.00 52.40 H new ATOM 0 HD11 LEU B 132 0.888 0.327 -23.184 1.00 32.41 H new ATOM 0 HD12 LEU B 132 0.353 1.755 -22.266 1.00 32.41 H new ATOM 0 HD13 LEU B 132 1.590 0.672 -21.586 1.00 32.41 H new ATOM 0 HD21 LEU B 132 0.181 -1.953 -22.516 1.00 70.54 H new ATOM 0 HD22 LEU B 132 0.833 -1.767 -20.871 1.00 70.54 H new ATOM 0 HD23 LEU B 132 -0.876 -2.202 -21.106 1.00 70.54 H new ATOM 1306 N GLN B 133 -3.663 1.730 -20.057 1.00 53.05 N ATOM 1307 CA GLN B 133 -5.022 1.923 -20.591 1.00 50.11 C ATOM 1308 C GLN B 133 -5.337 3.427 -20.755 1.00 12.14 C ATOM 1309 O GLN B 133 -6.119 3.788 -21.625 1.00 33.32 O ATOM 1310 CB GLN B 133 -6.079 1.242 -19.678 1.00 44.10 C ATOM 1311 CG GLN B 133 -5.969 -0.289 -19.580 1.00 11.34 C ATOM 1312 CD GLN B 133 -7.048 -0.925 -18.694 1.00 41.21 C ATOM 1313 OE1 GLN B 133 -6.796 -1.012 -17.394 1.00 43.20 O flip ATOM 1314 NE2 GLN B 133 -8.117 -1.305 -19.169 1.00 34.33 N flip ATOM 0 H GLN B 133 -3.641 1.295 -19.135 1.00 53.05 H new ATOM 0 HA GLN B 133 -5.067 1.453 -21.573 1.00 50.11 H new ATOM 0 HB2 GLN B 133 -5.994 1.661 -18.676 1.00 44.10 H new ATOM 0 HB3 GLN B 133 -7.073 1.496 -20.047 1.00 44.10 H new ATOM 0 HG2 GLN B 133 -6.035 -0.715 -20.581 1.00 11.34 H new ATOM 0 HG3 GLN B 133 -4.987 -0.550 -19.187 1.00 11.34 H new ATOM 0 HE21 GLN B 133 -8.286 -1.227 -20.172 1.00 34.33 H new ATOM 0 HE22 GLN B 133 -8.835 -1.698 -18.560 1.00 34.33 H new ATOM 1323 N LEU B 134 -4.711 4.290 -19.912 1.00 62.53 N ATOM 1324 CA LEU B 134 -4.866 5.762 -20.002 1.00 62.23 C ATOM 1325 C LEU B 134 -4.172 6.307 -21.253 1.00 70.53 C ATOM 1326 O LEU B 134 -4.782 7.023 -22.036 1.00 73.21 O ATOM 1327 CB LEU B 134 -4.299 6.504 -18.755 1.00 24.54 C ATOM 1328 CG LEU B 134 -4.985 6.219 -17.389 1.00 55.15 C ATOM 1329 CD1 LEU B 134 -4.484 7.207 -16.318 1.00 50.12 C ATOM 1330 CD2 LEU B 134 -6.522 6.243 -17.509 1.00 52.35 C ATOM 0 H LEU B 134 -4.092 3.987 -19.160 1.00 62.53 H new ATOM 0 HA LEU B 134 -5.939 5.949 -20.053 1.00 62.23 H new ATOM 0 HB2 LEU B 134 -3.243 6.251 -18.662 1.00 24.54 H new ATOM 0 HB3 LEU B 134 -4.355 7.576 -18.945 1.00 24.54 H new ATOM 0 HG LEU B 134 -4.709 5.212 -17.076 1.00 55.15 H new ATOM 0 HD11 LEU B 134 -4.974 6.993 -15.368 1.00 50.12 H new ATOM 0 HD12 LEU B 134 -3.405 7.101 -16.202 1.00 50.12 H new ATOM 0 HD13 LEU B 134 -4.717 8.226 -16.626 1.00 50.12 H new ATOM 0 HD21 LEU B 134 -6.966 6.040 -16.535 1.00 52.35 H new ATOM 0 HD22 LEU B 134 -6.844 7.224 -17.857 1.00 52.35 H new ATOM 0 HD23 LEU B 134 -6.843 5.482 -18.220 1.00 52.35 H new ATOM 1342 N GLU B 135 -2.889 5.940 -21.436 1.00 54.32 N ATOM 1343 CA GLU B 135 -2.080 6.411 -22.584 1.00 71.41 C ATOM 1344 C GLU B 135 -2.571 5.794 -23.916 1.00 3.45 C ATOM 1345 O GLU B 135 -2.086 6.155 -24.991 1.00 43.53 O ATOM 1346 CB GLU B 135 -0.571 6.138 -22.333 1.00 11.10 C ATOM 1347 CG GLU B 135 -0.210 4.660 -22.152 1.00 33.32 C ATOM 1348 CD GLU B 135 1.260 4.428 -21.780 1.00 60.41 C ATOM 1349 OE1 GLU B 135 1.581 4.394 -20.568 1.00 1.32 O ATOM 1350 OE2 GLU B 135 2.095 4.288 -22.697 1.00 25.43 O ATOM 0 H GLU B 135 -2.387 5.317 -20.803 1.00 54.32 H new ATOM 0 HA GLU B 135 -2.210 7.489 -22.676 1.00 71.41 H new ATOM 0 HB2 GLU B 135 0.001 6.538 -23.170 1.00 11.10 H new ATOM 0 HB3 GLU B 135 -0.259 6.686 -21.444 1.00 11.10 H new ATOM 0 HG2 GLU B 135 -0.844 4.232 -21.376 1.00 33.32 H new ATOM 0 HG3 GLU B 135 -0.431 4.125 -23.075 1.00 33.32 H new ATOM 1357 N LYS B 136 -3.515 4.837 -23.819 1.00 74.44 N ATOM 1358 CA LYS B 136 -4.336 4.390 -24.958 1.00 73.14 C ATOM 1359 C LYS B 136 -5.615 5.259 -25.088 1.00 11.42 C ATOM 1360 O LYS B 136 -5.912 5.776 -26.166 1.00 1.45 O ATOM 1361 CB LYS B 136 -4.721 2.905 -24.777 1.00 41.14 C ATOM 1362 CG LYS B 136 -3.526 1.934 -24.779 1.00 43.04 C ATOM 1363 CD LYS B 136 -3.946 0.485 -24.437 1.00 60.15 C ATOM 1364 CE LYS B 136 -4.926 -0.116 -25.457 1.00 13.40 C ATOM 1365 NZ LYS B 136 -5.350 -1.494 -25.075 1.00 61.25 N ATOM 0 H LYS B 136 -3.729 4.353 -22.947 1.00 74.44 H new ATOM 0 HA LYS B 136 -3.751 4.501 -25.871 1.00 73.14 H new ATOM 0 HB2 LYS B 136 -5.262 2.794 -23.837 1.00 41.14 H new ATOM 0 HB3 LYS B 136 -5.407 2.620 -25.575 1.00 41.14 H new ATOM 0 HG2 LYS B 136 -3.049 1.950 -25.759 1.00 43.04 H new ATOM 0 HG3 LYS B 136 -2.783 2.274 -24.058 1.00 43.04 H new ATOM 0 HD2 LYS B 136 -3.056 -0.142 -24.384 1.00 60.15 H new ATOM 0 HD3 LYS B 136 -4.405 0.470 -23.449 1.00 60.15 H new ATOM 0 HE2 LYS B 136 -5.804 0.525 -25.538 1.00 13.40 H new ATOM 0 HE3 LYS B 136 -4.457 -0.140 -26.441 1.00 13.40 H new ATOM 0 HZ1 LYS B 136 -6.010 -1.864 -25.788 1.00 61.25 H new ATOM 0 HZ2 LYS B 136 -4.515 -2.112 -25.022 1.00 61.25 H new ATOM 0 HZ3 LYS B 136 -5.820 -1.468 -24.148 1.00 61.25 H new ATOM 1379 N ALA B 137 -6.344 5.435 -23.966 1.00 11.42 N ATOM 1380 CA ALA B 137 -7.687 6.079 -23.939 1.00 12.52 C ATOM 1381 C ALA B 137 -7.632 7.601 -24.163 1.00 11.42 C ATOM 1382 O ALA B 137 -8.645 8.212 -24.536 1.00 35.52 O ATOM 1383 CB ALA B 137 -8.387 5.784 -22.601 1.00 30.14 C ATOM 0 H ALA B 137 -6.022 5.135 -23.046 1.00 11.42 H new ATOM 0 HA ALA B 137 -8.253 5.651 -24.767 1.00 12.52 H new ATOM 0 HB1 ALA B 137 -9.368 6.259 -22.591 1.00 30.14 H new ATOM 0 HB2 ALA B 137 -8.504 4.707 -22.481 1.00 30.14 H new ATOM 0 HB3 ALA B 137 -7.785 6.177 -21.781 1.00 30.14 H new ATOM 1389 N THR B 138 -6.455 8.194 -23.929 1.00 23.54 N ATOM 1390 CA THR B 138 -6.273 9.650 -23.946 1.00 14.30 C ATOM 1391 C THR B 138 -4.798 10.021 -24.117 1.00 14.34 C ATOM 1392 O THR B 138 -3.912 9.162 -24.073 1.00 63.43 O ATOM 1393 CB THR B 138 -6.831 10.306 -22.634 1.00 63.55 C ATOM 1394 OG1 THR B 138 -6.773 11.738 -22.720 1.00 61.43 O ATOM 1395 CG2 THR B 138 -6.080 9.845 -21.368 1.00 3.52 C ATOM 0 H THR B 138 -5.601 7.677 -23.722 1.00 23.54 H new ATOM 0 HA THR B 138 -6.834 10.034 -24.798 1.00 14.30 H new ATOM 0 HB THR B 138 -7.866 9.977 -22.546 1.00 63.55 H new ATOM 0 HG1 THR B 138 -7.594 12.074 -23.137 1.00 61.43 H new ATOM 0 HG21 THR B 138 -6.510 10.332 -20.492 1.00 3.52 H new ATOM 0 HG22 THR B 138 -6.172 8.764 -21.264 1.00 3.52 H new ATOM 0 HG23 THR B 138 -5.027 10.113 -21.452 1.00 3.52 H new ATOM 1403 N GLN B 139 -4.560 11.329 -24.284 1.00 75.00 N ATOM 1404 CA GLN B 139 -3.222 11.914 -24.403 1.00 61.11 C ATOM 1405 C GLN B 139 -2.561 12.075 -23.018 1.00 12.42 C ATOM 1406 O GLN B 139 -1.336 12.180 -22.933 1.00 22.23 O ATOM 1407 CB GLN B 139 -3.304 13.275 -25.173 1.00 3.41 C ATOM 1408 CG GLN B 139 -4.431 14.271 -24.756 1.00 14.40 C ATOM 1409 CD GLN B 139 -4.300 14.870 -23.349 1.00 15.24 C ATOM 1410 OE1 GLN B 139 -3.576 15.840 -23.144 1.00 24.34 O ATOM 1411 NE2 GLN B 139 -5.056 14.354 -22.386 1.00 12.02 N ATOM 0 H GLN B 139 -5.307 12.021 -24.341 1.00 75.00 H new ATOM 0 HA GLN B 139 -2.589 11.237 -24.977 1.00 61.11 H new ATOM 0 HB2 GLN B 139 -2.347 13.784 -25.060 1.00 3.41 H new ATOM 0 HB3 GLN B 139 -3.425 13.055 -26.234 1.00 3.41 H new ATOM 0 HG2 GLN B 139 -4.455 15.087 -25.478 1.00 14.40 H new ATOM 0 HG3 GLN B 139 -5.389 13.756 -24.824 1.00 14.40 H new ATOM 0 HE21 GLN B 139 -5.650 13.548 -22.580 1.00 12.02 H new ATOM 0 HE22 GLN B 139 -5.043 14.764 -21.452 1.00 12.02 H new ATOM 1420 N ARG B 140 -3.417 12.097 -21.960 1.00 71.24 N ATOM 1421 CA ARG B 140 -3.060 12.311 -20.515 1.00 13.41 C ATOM 1422 C ARG B 140 -2.079 13.496 -20.277 1.00 20.21 C ATOM 1423 O ARG B 140 -1.770 14.268 -21.187 1.00 41.45 O ATOM 1424 CB ARG B 140 -2.591 10.990 -19.792 1.00 12.11 C ATOM 1425 CG ARG B 140 -1.098 10.594 -19.962 1.00 40.23 C ATOM 1426 CD ARG B 140 -0.823 9.669 -21.160 1.00 21.35 C ATOM 1427 NE ARG B 140 0.619 9.438 -21.379 1.00 32.14 N ATOM 1428 CZ ARG B 140 1.299 9.720 -22.511 1.00 72.30 C ATOM 1429 NH1 ARG B 140 0.695 10.268 -23.555 1.00 74.15 N ATOM 1430 NH2 ARG B 140 2.589 9.443 -22.597 1.00 32.52 N ATOM 0 H ARG B 140 -4.420 11.961 -22.088 1.00 71.24 H new ATOM 0 HA ARG B 140 -3.996 12.607 -20.041 1.00 13.41 H new ATOM 0 HB2 ARG B 140 -2.796 11.094 -18.727 1.00 12.11 H new ATOM 0 HB3 ARG B 140 -3.205 10.166 -20.156 1.00 12.11 H new ATOM 0 HG2 ARG B 140 -0.504 11.501 -20.074 1.00 40.23 H new ATOM 0 HG3 ARG B 140 -0.759 10.101 -19.051 1.00 40.23 H new ATOM 0 HD2 ARG B 140 -1.320 8.713 -20.998 1.00 21.35 H new ATOM 0 HD3 ARG B 140 -1.258 10.106 -22.059 1.00 21.35 H new ATOM 0 HE ARG B 140 1.147 9.030 -20.608 1.00 32.14 H new ATOM 0 HH11 ARG B 140 -0.301 10.484 -23.512 1.00 74.15 H new ATOM 0 HH12 ARG B 140 1.226 10.474 -24.401 1.00 74.15 H new ATOM 0 HH21 ARG B 140 3.073 9.015 -21.807 1.00 32.52 H new ATOM 0 HH22 ARG B 140 3.101 9.657 -23.453 1.00 32.52 H new ATOM 1444 N GLN B 141 -1.667 13.684 -19.014 1.00 42.30 N ATOM 1445 CA GLN B 141 -0.654 14.702 -18.640 1.00 43.43 C ATOM 1446 C GLN B 141 0.733 14.043 -18.553 1.00 30.32 C ATOM 1447 O GLN B 141 1.707 14.573 -19.081 1.00 41.55 O ATOM 1448 CB GLN B 141 -1.021 15.421 -17.294 1.00 3.04 C ATOM 1449 CG GLN B 141 -0.899 14.589 -15.989 1.00 14.23 C ATOM 1450 CD GLN B 141 -1.884 13.421 -15.879 1.00 3.12 C ATOM 1451 OE1 GLN B 141 -1.609 12.302 -16.308 1.00 1.01 O ATOM 1452 NE2 GLN B 141 -3.035 13.671 -15.302 1.00 74.43 N ATOM 0 H GLN B 141 -2.019 13.143 -18.224 1.00 42.30 H new ATOM 0 HA GLN B 141 -0.637 15.469 -19.414 1.00 43.43 H new ATOM 0 HB2 GLN B 141 -0.383 16.299 -17.195 1.00 3.04 H new ATOM 0 HB3 GLN B 141 -2.047 15.779 -17.371 1.00 3.04 H new ATOM 0 HG2 GLN B 141 0.116 14.198 -15.917 1.00 14.23 H new ATOM 0 HG3 GLN B 141 -1.046 15.252 -15.137 1.00 14.23 H new ATOM 0 HE21 GLN B 141 -3.238 14.608 -14.955 1.00 74.43 H new ATOM 0 HE22 GLN B 141 -3.727 12.928 -15.201 1.00 74.43 H new ATOM 1461 N GLU B 142 0.758 12.851 -17.921 1.00 55.30 N ATOM 1462 CA GLU B 142 1.969 12.100 -17.543 1.00 10.24 C ATOM 1463 C GLU B 142 3.073 13.009 -16.955 1.00 2.44 C ATOM 1464 O GLU B 142 4.003 13.424 -17.660 1.00 31.54 O ATOM 1465 CB GLU B 142 2.494 11.240 -18.724 1.00 1.32 C ATOM 1466 CG GLU B 142 3.590 10.227 -18.323 1.00 35.33 C ATOM 1467 CD GLU B 142 3.996 9.302 -19.470 1.00 21.44 C ATOM 1468 OE1 GLU B 142 5.162 9.329 -19.909 1.00 42.32 O ATOM 1469 OE2 GLU B 142 3.131 8.548 -19.950 1.00 22.42 O ATOM 0 H GLU B 142 -0.099 12.368 -17.650 1.00 55.30 H new ATOM 0 HA GLU B 142 1.679 11.418 -16.744 1.00 10.24 H new ATOM 0 HB2 GLU B 142 1.658 10.699 -19.166 1.00 1.32 H new ATOM 0 HB3 GLU B 142 2.889 11.902 -19.495 1.00 1.32 H new ATOM 0 HG2 GLU B 142 4.468 10.770 -17.973 1.00 35.33 H new ATOM 0 HG3 GLU B 142 3.233 9.625 -17.487 1.00 35.33 H new ATOM 1476 N ARG B 143 2.915 13.371 -15.675 1.00 40.31 N ATOM 1477 CA ARG B 143 3.963 14.079 -14.922 1.00 61.45 C ATOM 1478 C ARG B 143 5.009 13.053 -14.473 1.00 13.53 C ATOM 1479 O ARG B 143 6.196 13.157 -14.813 1.00 12.30 O ATOM 1480 CB ARG B 143 3.364 14.825 -13.707 1.00 35.23 C ATOM 1481 CG ARG B 143 2.309 15.884 -14.074 1.00 22.21 C ATOM 1482 CD ARG B 143 2.848 17.029 -14.940 1.00 44.25 C ATOM 1483 NE ARG B 143 1.884 18.143 -15.051 1.00 43.52 N ATOM 1484 CZ ARG B 143 2.218 19.434 -15.222 1.00 30.43 C ATOM 1485 NH1 ARG B 143 3.497 19.805 -15.308 1.00 41.24 N ATOM 1486 NH2 ARG B 143 1.276 20.359 -15.295 1.00 53.31 N ATOM 0 H ARG B 143 2.069 13.185 -15.136 1.00 40.31 H new ATOM 0 HA ARG B 143 4.431 14.829 -15.559 1.00 61.45 H new ATOM 0 HB2 ARG B 143 2.912 14.096 -13.034 1.00 35.23 H new ATOM 0 HB3 ARG B 143 4.172 15.308 -13.157 1.00 35.23 H new ATOM 0 HG2 ARG B 143 1.490 15.397 -14.603 1.00 22.21 H new ATOM 0 HG3 ARG B 143 1.893 16.301 -13.157 1.00 22.21 H new ATOM 0 HD2 ARG B 143 3.780 17.398 -14.513 1.00 44.25 H new ATOM 0 HD3 ARG B 143 3.081 16.651 -15.936 1.00 44.25 H new ATOM 0 HE ARG B 143 0.891 17.916 -14.994 1.00 43.52 H new ATOM 0 HH11 ARG B 143 4.236 19.105 -15.244 1.00 41.24 H new ATOM 0 HH12 ARG B 143 3.735 20.788 -15.438 1.00 41.24 H new ATOM 0 HH21 ARG B 143 0.294 20.094 -15.222 1.00 53.31 H new ATOM 0 HH22 ARG B 143 1.531 21.338 -15.425 1.00 53.31 H new ATOM 1500 N PHE B 144 4.532 12.048 -13.731 1.00 31.22 N ATOM 1501 CA PHE B 144 5.338 10.918 -13.278 1.00 24.11 C ATOM 1502 C PHE B 144 4.392 9.716 -13.062 1.00 34.13 C ATOM 1503 O PHE B 144 4.589 8.655 -13.690 1.00 55.34 O ATOM 1504 CB PHE B 144 6.107 11.292 -11.978 1.00 23.05 C ATOM 1505 CG PHE B 144 7.216 10.307 -11.599 1.00 23.13 C ATOM 1506 CD1 PHE B 144 8.414 10.274 -12.319 1.00 33.23 C ATOM 1507 CD2 PHE B 144 7.069 9.418 -10.534 1.00 33.52 C ATOM 1508 CE1 PHE B 144 9.420 9.387 -11.985 1.00 51.54 C ATOM 1509 CE2 PHE B 144 8.078 8.532 -10.200 1.00 34.34 C ATOM 1510 CZ PHE B 144 9.254 8.517 -10.926 1.00 70.23 C ATOM 0 H PHE B 144 3.560 12.000 -13.426 1.00 31.22 H new ATOM 0 HA PHE B 144 6.089 10.653 -14.023 1.00 24.11 H new ATOM 0 HB2 PHE B 144 6.543 12.283 -12.100 1.00 23.05 H new ATOM 0 HB3 PHE B 144 5.396 11.356 -11.154 1.00 23.05 H new ATOM 0 HD1 PHE B 144 8.555 10.951 -13.148 1.00 33.23 H new ATOM 0 HD2 PHE B 144 6.153 9.421 -9.961 1.00 33.52 H new ATOM 0 HE1 PHE B 144 10.338 9.374 -12.554 1.00 51.54 H new ATOM 0 HE2 PHE B 144 7.947 7.852 -9.372 1.00 34.34 H new ATOM 0 HZ PHE B 144 10.042 7.826 -10.665 1.00 70.23 H new TER 1520 PHE B 144