USER MOD reduce.3.24.130724 H: found=0, std=0, add=1432, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= -3.6! C(o=-6.8!,f=-11!) USER MOD Set 1.2: B 70 SER OG : rot 180:sc= -3.15! USER MOD Set 2.1: B 13 THR OG1 : rot -174:sc= -0.379 USER MOD Set 2.2: B 14 LYS NZ :NH3+ -152:sc= 0.0746 (180deg=-0.508) USER MOD Set 3.1: A 70 SER OG : rot 180:sc= -4.34! USER MOD Set 3.2: B 51 ASN : amide:sc= -5.35! C(o=-9.7!,f=-14!) USER MOD Single : A 6 ASN : amide:sc= -16.2! C(o=-16!,f=-19!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00639 USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= -4.23! (180deg=-4.64!) USER MOD Single : A 15 ASN : amide:sc= -0.433 K(o=-0.43,f=-1.1) USER MOD Single : A 19 HIS : no HE2:sc= -0.977 K(o=-0.98,f=-2.2) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0831 USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -1.59 (180deg=-2.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -82:sc= -0.858 USER MOD Single : A 54 LYS NZ :NH3+ -114:sc= -1.4 (180deg=-5.45!) USER MOD Single : A 62 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.052) USER MOD Single : A 65 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.037) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 68 THR OG1 : rot 101:sc= 0.197 USER MOD Single : A 79 SER OG : rot -50:sc= -1.53 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0389 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : B 6 ASN :FLIP amide:sc= -10.4! C(o=-14!,f=-10!) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 19 HIS : no HE2:sc= -0.165 K(o=-0.16,f=-1.7!) USER MOD Single : B 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= -0.464 USER MOD Single : B 44 SER OG : rot 55:sc= 0.662 USER MOD Single : B 45 LYS NZ :NH3+ 151:sc= -1.31 (180deg=-2.91!) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 85:sc= -1.54! USER MOD Single : B 54 LYS NZ :NH3+ -108:sc= -0.846 (180deg=-4.69!) USER MOD Single : B 62 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.13) USER MOD Single : B 65 ASN :FLIP amide:sc= -1.06 F(o=-1.7,f=-1.1) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 68 THR OG1 : rot 85:sc= 1.47 USER MOD Single : B 79 SER OG : rot -130:sc= -0.536 USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N ASN A 6 15.385 0.196 -10.619 1.00 0.26 N ATOM 91 CA ASN A 6 15.734 -0.820 -9.603 1.00 0.26 C ATOM 92 C ASN A 6 14.465 -1.515 -9.104 1.00 0.24 C ATOM 93 O ASN A 6 13.803 -1.013 -8.218 1.00 0.26 O ATOM 94 CB ASN A 6 16.493 -0.179 -8.449 1.00 0.35 C ATOM 95 CG ASN A 6 16.256 -0.978 -7.177 1.00 0.93 C ATOM 96 OD1 ASN A 6 16.564 -2.150 -7.120 1.00 1.72 O ATOM 97 ND2 ASN A 6 15.729 -0.390 -6.146 1.00 1.39 N ATOM 0 HA ASN A 6 16.383 -1.569 -10.057 1.00 0.26 H new ATOM 0 HB2 ASN A 6 17.559 -0.145 -8.676 1.00 0.35 H new ATOM 0 HB3 ASN A 6 16.163 0.851 -8.311 1.00 0.35 H new ATOM 0 HD21 ASN A 6 15.573 -0.914 -5.285 1.00 1.39 H new ATOM 0 HD22 ASN A 6 15.471 0.596 -6.197 1.00 1.39 H new ATOM 104 N GLU A 7 14.108 -2.647 -9.632 1.00 0.25 N ATOM 105 CA GLU A 7 12.870 -3.317 -9.135 1.00 0.28 C ATOM 106 C GLU A 7 13.246 -4.267 -8.005 1.00 0.28 C ATOM 107 O GLU A 7 14.025 -5.180 -8.193 1.00 0.30 O ATOM 108 CB GLU A 7 12.218 -4.098 -10.271 1.00 0.35 C ATOM 109 CG GLU A 7 13.146 -5.230 -10.706 1.00 0.44 C ATOM 110 CD GLU A 7 12.940 -5.520 -12.194 1.00 0.75 C ATOM 111 OE1 GLU A 7 12.002 -6.231 -12.515 1.00 1.12 O ATOM 112 OE2 GLU A 7 13.723 -5.024 -12.988 1.00 1.44 O ATOM 0 H GLU A 7 14.608 -3.135 -10.375 1.00 0.25 H new ATOM 0 HA GLU A 7 12.165 -2.570 -8.770 1.00 0.28 H new ATOM 0 HB2 GLU A 7 11.260 -4.503 -9.946 1.00 0.35 H new ATOM 0 HB3 GLU A 7 12.015 -3.436 -11.113 1.00 0.35 H new ATOM 0 HG2 GLU A 7 14.184 -4.955 -10.519 1.00 0.44 H new ATOM 0 HG3 GLU A 7 12.943 -6.126 -10.119 1.00 0.44 H new ATOM 119 N ILE A 8 12.717 -4.044 -6.824 1.00 0.28 N ATOM 120 CA ILE A 8 13.081 -4.941 -5.667 1.00 0.31 C ATOM 121 C ILE A 8 11.840 -5.455 -4.937 1.00 0.28 C ATOM 122 O ILE A 8 10.835 -4.792 -4.828 1.00 0.28 O ATOM 123 CB ILE A 8 13.941 -4.172 -4.660 1.00 0.35 C ATOM 124 CG1 ILE A 8 15.007 -3.368 -5.394 1.00 0.42 C ATOM 125 CG2 ILE A 8 14.632 -5.152 -3.707 1.00 0.56 C ATOM 126 CD1 ILE A 8 16.121 -3.002 -4.410 1.00 1.11 C ATOM 0 H ILE A 8 12.060 -3.295 -6.608 1.00 0.28 H new ATOM 0 HA ILE A 8 13.629 -5.789 -6.078 1.00 0.31 H new ATOM 0 HB ILE A 8 13.296 -3.500 -4.094 1.00 0.35 H new ATOM 0 HG12 ILE A 8 15.412 -3.949 -6.223 1.00 0.42 H new ATOM 0 HG13 ILE A 8 14.570 -2.465 -5.821 1.00 0.42 H new ATOM 0 HG21 ILE A 8 15.242 -4.597 -2.994 1.00 0.56 H new ATOM 0 HG22 ILE A 8 13.879 -5.729 -3.169 1.00 0.56 H new ATOM 0 HG23 ILE A 8 15.267 -5.828 -4.279 1.00 0.56 H new ATOM 0 HD11 ILE A 8 16.889 -2.426 -4.927 1.00 1.11 H new ATOM 0 HD12 ILE A 8 15.707 -2.406 -3.597 1.00 1.11 H new ATOM 0 HD13 ILE A 8 16.562 -3.913 -4.005 1.00 1.11 H new ATOM 138 N VAL A 9 11.926 -6.658 -4.446 1.00 0.28 N ATOM 139 CA VAL A 9 10.792 -7.276 -3.704 1.00 0.27 C ATOM 140 C VAL A 9 11.130 -7.344 -2.210 1.00 0.24 C ATOM 141 O VAL A 9 12.190 -7.789 -1.817 1.00 0.25 O ATOM 142 CB VAL A 9 10.549 -8.688 -4.237 1.00 0.30 C ATOM 143 CG1 VAL A 9 9.169 -9.181 -3.794 1.00 1.35 C ATOM 144 CG2 VAL A 9 10.620 -8.679 -5.765 1.00 1.27 C ATOM 0 H VAL A 9 12.751 -7.252 -4.529 1.00 0.28 H new ATOM 0 HA VAL A 9 9.895 -6.673 -3.843 1.00 0.27 H new ATOM 0 HB VAL A 9 11.314 -9.356 -3.840 1.00 0.30 H new ATOM 0 HG11 VAL A 9 9.002 -10.188 -4.177 1.00 1.35 H new ATOM 0 HG12 VAL A 9 9.120 -9.194 -2.705 1.00 1.35 H new ATOM 0 HG13 VAL A 9 8.401 -8.513 -4.184 1.00 1.35 H new ATOM 0 HG21 VAL A 9 10.447 -9.686 -6.143 1.00 1.27 H new ATOM 0 HG22 VAL A 9 9.859 -8.007 -6.161 1.00 1.27 H new ATOM 0 HG23 VAL A 9 11.606 -8.337 -6.081 1.00 1.27 H new ATOM 154 N VAL A 10 10.235 -6.888 -1.382 1.00 0.23 N ATOM 155 CA VAL A 10 10.505 -6.905 0.086 1.00 0.22 C ATOM 156 C VAL A 10 10.038 -8.250 0.643 1.00 0.20 C ATOM 157 O VAL A 10 9.309 -8.970 -0.010 1.00 0.20 O ATOM 158 CB VAL A 10 9.750 -5.752 0.767 1.00 0.23 C ATOM 159 CG1 VAL A 10 8.341 -6.208 1.153 1.00 0.33 C ATOM 160 CG2 VAL A 10 10.496 -5.315 2.032 1.00 0.39 C ATOM 0 H VAL A 10 9.330 -6.505 -1.654 1.00 0.23 H new ATOM 0 HA VAL A 10 11.570 -6.776 0.278 1.00 0.22 H new ATOM 0 HB VAL A 10 9.687 -4.916 0.071 1.00 0.23 H new ATOM 0 HG11 VAL A 10 7.812 -5.386 1.635 1.00 0.33 H new ATOM 0 HG12 VAL A 10 7.799 -6.513 0.258 1.00 0.33 H new ATOM 0 HG13 VAL A 10 8.407 -7.050 1.842 1.00 0.33 H new ATOM 0 HG21 VAL A 10 9.955 -4.498 2.509 1.00 0.39 H new ATOM 0 HG22 VAL A 10 10.566 -6.156 2.722 1.00 0.39 H new ATOM 0 HG23 VAL A 10 11.499 -4.980 1.766 1.00 0.39 H new ATOM 170 N ARG A 11 10.480 -8.614 1.823 1.00 0.20 N ATOM 171 CA ARG A 11 10.083 -9.937 2.389 1.00 0.19 C ATOM 172 C ARG A 11 9.708 -9.817 3.858 1.00 0.22 C ATOM 173 O ARG A 11 9.850 -8.785 4.481 1.00 0.22 O ATOM 174 CB ARG A 11 11.254 -10.913 2.287 1.00 0.20 C ATOM 175 CG ARG A 11 12.097 -10.574 1.059 1.00 0.30 C ATOM 176 CD ARG A 11 13.180 -11.636 0.864 1.00 0.34 C ATOM 177 NE ARG A 11 14.523 -10.998 0.977 1.00 1.17 N ATOM 178 CZ ARG A 11 15.068 -10.424 -0.063 1.00 1.42 C ATOM 179 NH1 ARG A 11 14.437 -10.395 -1.205 1.00 1.51 N ATOM 180 NH2 ARG A 11 16.248 -9.874 0.040 1.00 2.27 N ATOM 0 H ARG A 11 11.095 -8.054 2.414 1.00 0.20 H new ATOM 0 HA ARG A 11 9.224 -10.294 1.821 1.00 0.19 H new ATOM 0 HB2 ARG A 11 11.866 -10.858 3.187 1.00 0.20 H new ATOM 0 HB3 ARG A 11 10.883 -11.936 2.215 1.00 0.20 H new ATOM 0 HG2 ARG A 11 11.463 -10.522 0.174 1.00 0.30 H new ATOM 0 HG3 ARG A 11 12.555 -9.593 1.181 1.00 0.30 H new ATOM 0 HD2 ARG A 11 13.074 -12.422 1.612 1.00 0.34 H new ATOM 0 HD3 ARG A 11 13.070 -12.109 -0.112 1.00 0.34 H new ATOM 0 HE ARG A 11 15.018 -11.010 1.869 1.00 1.17 H new ATOM 0 HH11 ARG A 11 13.514 -10.822 -1.289 1.00 1.51 H new ATOM 0 HH12 ARG A 11 14.867 -9.946 -2.014 1.00 1.51 H new ATOM 0 HH21 ARG A 11 16.743 -9.893 0.931 1.00 2.27 H new ATOM 0 HH22 ARG A 11 16.674 -9.426 -0.771 1.00 2.27 H new ATOM 194 N LYS A 12 9.253 -10.902 4.404 1.00 0.27 N ATOM 195 CA LYS A 12 8.872 -10.944 5.840 1.00 0.32 C ATOM 196 C LYS A 12 9.992 -11.626 6.605 1.00 0.35 C ATOM 197 O LYS A 12 10.039 -11.603 7.819 1.00 0.43 O ATOM 198 CB LYS A 12 7.587 -11.761 6.022 1.00 0.35 C ATOM 199 CG LYS A 12 7.730 -13.154 5.366 1.00 0.38 C ATOM 200 CD LYS A 12 8.166 -14.204 6.394 1.00 1.05 C ATOM 201 CE LYS A 12 7.923 -15.599 5.817 1.00 1.03 C ATOM 202 NZ LYS A 12 8.339 -16.627 6.812 1.00 1.78 N ATOM 0 H LYS A 12 9.125 -11.783 3.906 1.00 0.27 H new ATOM 0 HA LYS A 12 8.706 -9.930 6.205 1.00 0.32 H new ATOM 0 HB2 LYS A 12 7.369 -11.874 7.084 1.00 0.35 H new ATOM 0 HB3 LYS A 12 6.745 -11.229 5.578 1.00 0.35 H new ATOM 0 HG2 LYS A 12 6.780 -13.449 4.920 1.00 0.38 H new ATOM 0 HG3 LYS A 12 8.460 -13.106 4.558 1.00 0.38 H new ATOM 0 HD2 LYS A 12 9.221 -14.076 6.638 1.00 1.05 H new ATOM 0 HD3 LYS A 12 7.607 -14.078 7.321 1.00 1.05 H new ATOM 0 HE2 LYS A 12 6.869 -15.723 5.569 1.00 1.03 H new ATOM 0 HE3 LYS A 12 8.485 -15.725 4.892 1.00 1.03 H new ATOM 0 HZ1 LYS A 12 8.174 -17.576 6.420 1.00 1.78 H new ATOM 0 HZ2 LYS A 12 9.350 -16.512 7.028 1.00 1.78 H new ATOM 0 HZ3 LYS A 12 7.784 -16.511 7.684 1.00 1.78 H new ATOM 216 N THR A 13 10.894 -12.245 5.898 1.00 0.34 N ATOM 217 CA THR A 13 12.010 -12.946 6.577 1.00 0.44 C ATOM 218 C THR A 13 13.143 -11.961 6.839 1.00 0.58 C ATOM 219 O THR A 13 14.024 -12.213 7.638 1.00 1.08 O ATOM 220 CB THR A 13 12.536 -14.075 5.687 1.00 0.48 C ATOM 221 OG1 THR A 13 12.811 -13.563 4.391 1.00 1.24 O ATOM 222 CG2 THR A 13 11.496 -15.191 5.584 1.00 1.01 C ATOM 0 H THR A 13 10.904 -12.294 4.879 1.00 0.34 H new ATOM 0 HA THR A 13 11.647 -13.360 7.518 1.00 0.44 H new ATOM 0 HB THR A 13 13.448 -14.480 6.125 1.00 0.48 H new ATOM 0 HG1 THR A 13 13.150 -14.284 3.820 1.00 1.24 H new ATOM 0 HG21 THR A 13 11.880 -15.989 4.949 1.00 1.01 H new ATOM 0 HG22 THR A 13 11.288 -15.587 6.578 1.00 1.01 H new ATOM 0 HG23 THR A 13 10.578 -14.794 5.152 1.00 1.01 H new ATOM 230 N LYS A 14 13.119 -10.827 6.199 1.00 0.35 N ATOM 231 CA LYS A 14 14.178 -9.818 6.440 1.00 0.43 C ATOM 232 C LYS A 14 13.719 -8.878 7.547 1.00 0.57 C ATOM 233 O LYS A 14 13.375 -9.294 8.634 1.00 1.34 O ATOM 234 CB LYS A 14 14.425 -9.028 5.170 1.00 0.39 C ATOM 235 CG LYS A 14 14.837 -9.999 4.073 1.00 0.60 C ATOM 236 CD LYS A 14 16.274 -10.512 4.289 1.00 0.86 C ATOM 237 CE LYS A 14 16.282 -12.037 4.484 1.00 1.06 C ATOM 238 NZ LYS A 14 15.998 -12.372 5.907 1.00 1.41 N ATOM 0 H LYS A 14 12.409 -10.557 5.518 1.00 0.35 H new ATOM 0 HA LYS A 14 15.102 -10.314 6.736 1.00 0.43 H new ATOM 0 HB2 LYS A 14 13.525 -8.487 4.879 1.00 0.39 H new ATOM 0 HB3 LYS A 14 15.206 -8.285 5.331 1.00 0.39 H new ATOM 0 HG2 LYS A 14 14.147 -10.842 4.053 1.00 0.60 H new ATOM 0 HG3 LYS A 14 14.766 -9.506 3.103 1.00 0.60 H new ATOM 0 HD2 LYS A 14 16.893 -10.247 3.432 1.00 0.86 H new ATOM 0 HD3 LYS A 14 16.712 -10.026 5.161 1.00 0.86 H new ATOM 0 HE2 LYS A 14 15.535 -12.498 3.838 1.00 1.06 H new ATOM 0 HE3 LYS A 14 17.250 -12.444 4.193 1.00 1.06 H new ATOM 0 HZ1 LYS A 14 16.187 -13.381 6.070 1.00 1.41 H new ATOM 0 HZ2 LYS A 14 16.607 -11.801 6.526 1.00 1.41 H new ATOM 0 HZ3 LYS A 14 15.000 -12.168 6.119 1.00 1.41 H new ATOM 252 N ASN A 15 13.690 -7.608 7.262 1.00 0.43 N ATOM 253 CA ASN A 15 13.232 -6.625 8.272 1.00 0.33 C ATOM 254 C ASN A 15 13.012 -5.295 7.564 1.00 0.24 C ATOM 255 O ASN A 15 13.433 -5.103 6.441 1.00 0.24 O ATOM 256 CB ASN A 15 14.290 -6.464 9.366 1.00 0.47 C ATOM 257 CG ASN A 15 13.810 -7.156 10.643 1.00 0.56 C ATOM 258 OD1 ASN A 15 14.188 -8.277 10.919 1.00 1.23 O ATOM 259 ND2 ASN A 15 12.987 -6.532 11.440 1.00 1.25 N ATOM 0 H ASN A 15 13.967 -7.209 6.365 1.00 0.43 H new ATOM 0 HA ASN A 15 12.308 -6.966 8.738 1.00 0.33 H new ATOM 0 HB2 ASN A 15 15.236 -6.896 9.039 1.00 0.47 H new ATOM 0 HB3 ASN A 15 14.472 -5.407 9.559 1.00 0.47 H new ATOM 0 HD21 ASN A 15 12.662 -6.985 12.294 1.00 1.25 H new ATOM 0 HD22 ASN A 15 12.669 -5.591 11.209 1.00 1.25 H new ATOM 266 N VAL A 16 12.370 -4.369 8.206 1.00 0.24 N ATOM 267 CA VAL A 16 12.149 -3.057 7.550 1.00 0.22 C ATOM 268 C VAL A 16 13.500 -2.369 7.413 1.00 0.23 C ATOM 269 O VAL A 16 13.757 -1.624 6.482 1.00 0.25 O ATOM 270 CB VAL A 16 11.211 -2.202 8.406 1.00 0.29 C ATOM 271 CG1 VAL A 16 10.129 -3.094 9.013 1.00 0.31 C ATOM 272 CG2 VAL A 16 11.999 -1.530 9.535 1.00 0.49 C ATOM 0 H VAL A 16 11.991 -4.460 9.149 1.00 0.24 H new ATOM 0 HA VAL A 16 11.693 -3.193 6.569 1.00 0.22 H new ATOM 0 HB VAL A 16 10.755 -1.436 7.780 1.00 0.29 H new ATOM 0 HG11 VAL A 16 9.459 -2.489 9.623 1.00 0.31 H new ATOM 0 HG12 VAL A 16 9.561 -3.571 8.215 1.00 0.31 H new ATOM 0 HG13 VAL A 16 10.594 -3.859 9.635 1.00 0.31 H new ATOM 0 HG21 VAL A 16 11.324 -0.924 10.139 1.00 0.49 H new ATOM 0 HG22 VAL A 16 12.460 -2.294 10.162 1.00 0.49 H new ATOM 0 HG23 VAL A 16 12.775 -0.894 9.109 1.00 0.49 H new ATOM 282 N GLU A 17 14.386 -2.646 8.321 1.00 0.27 N ATOM 283 CA GLU A 17 15.724 -2.027 8.244 1.00 0.33 C ATOM 284 C GLU A 17 16.567 -2.775 7.221 1.00 0.34 C ATOM 285 O GLU A 17 17.338 -2.175 6.504 1.00 0.37 O ATOM 286 CB GLU A 17 16.395 -2.045 9.626 1.00 0.39 C ATOM 287 CG GLU A 17 17.301 -3.270 9.779 1.00 0.86 C ATOM 288 CD GLU A 17 17.661 -3.452 11.255 1.00 1.03 C ATOM 289 OE1 GLU A 17 18.021 -2.469 11.880 1.00 1.56 O ATOM 290 OE2 GLU A 17 17.569 -4.570 11.733 1.00 1.41 O ATOM 0 H GLU A 17 14.239 -3.274 9.111 1.00 0.27 H new ATOM 0 HA GLU A 17 15.629 -0.988 7.929 1.00 0.33 H new ATOM 0 HB2 GLU A 17 16.980 -1.136 9.762 1.00 0.39 H new ATOM 0 HB3 GLU A 17 15.632 -2.053 10.405 1.00 0.39 H new ATOM 0 HG2 GLU A 17 16.795 -4.160 9.404 1.00 0.86 H new ATOM 0 HG3 GLU A 17 18.206 -3.144 9.185 1.00 0.86 H new ATOM 297 N ASP A 18 16.461 -4.077 7.129 1.00 0.35 N ATOM 298 CA ASP A 18 17.298 -4.802 6.148 1.00 0.38 C ATOM 299 C ASP A 18 17.046 -4.294 4.742 1.00 0.35 C ATOM 300 O ASP A 18 17.956 -4.264 3.936 1.00 0.34 O ATOM 301 CB ASP A 18 16.961 -6.287 6.187 1.00 0.46 C ATOM 302 CG ASP A 18 18.148 -7.070 6.747 1.00 0.66 C ATOM 303 OD1 ASP A 18 19.230 -6.938 6.199 1.00 1.27 O ATOM 304 OD2 ASP A 18 17.957 -7.792 7.711 1.00 1.38 O ATOM 0 H ASP A 18 15.835 -4.657 7.688 1.00 0.35 H new ATOM 0 HA ASP A 18 18.343 -4.638 6.410 1.00 0.38 H new ATOM 0 HB2 ASP A 18 16.079 -6.453 6.805 1.00 0.46 H new ATOM 0 HB3 ASP A 18 16.719 -6.641 5.185 1.00 0.46 H new ATOM 309 N HIS A 19 15.849 -3.879 4.406 1.00 0.34 N ATOM 310 CA HIS A 19 15.622 -3.376 3.028 1.00 0.33 C ATOM 311 C HIS A 19 15.846 -1.866 3.009 1.00 0.28 C ATOM 312 O HIS A 19 16.087 -1.288 1.971 1.00 0.27 O ATOM 313 CB HIS A 19 14.188 -3.685 2.597 1.00 0.36 C ATOM 314 CG HIS A 19 14.090 -5.131 2.195 1.00 0.53 C ATOM 315 ND1 HIS A 19 14.523 -5.584 0.957 1.00 1.22 N ATOM 316 CD2 HIS A 19 13.612 -6.237 2.854 1.00 1.43 C ATOM 317 CE1 HIS A 19 14.300 -6.910 0.909 1.00 1.27 C ATOM 318 NE2 HIS A 19 13.747 -7.355 2.039 1.00 1.40 N ATOM 0 H HIS A 19 15.035 -3.869 5.020 1.00 0.34 H new ATOM 0 HA HIS A 19 16.314 -3.862 2.340 1.00 0.33 H new ATOM 0 HB2 HIS A 19 13.497 -3.475 3.414 1.00 0.36 H new ATOM 0 HB3 HIS A 19 13.900 -3.044 1.764 1.00 0.36 H new ATOM 0 HD1 HIS A 19 14.935 -5.015 0.218 1.00 1.22 H new ATOM 0 HD2 HIS A 19 13.196 -6.238 3.851 1.00 1.43 H new ATOM 0 HE1 HIS A 19 14.539 -7.536 0.062 1.00 1.27 H new ATOM 327 N VAL A 20 15.848 -1.222 4.150 1.00 0.26 N ATOM 328 CA VAL A 20 16.147 0.234 4.136 1.00 0.24 C ATOM 329 C VAL A 20 17.662 0.333 3.950 1.00 0.23 C ATOM 330 O VAL A 20 18.184 1.235 3.325 1.00 0.22 O ATOM 331 CB VAL A 20 15.689 0.895 5.454 1.00 0.25 C ATOM 332 CG1 VAL A 20 16.868 1.098 6.411 1.00 0.29 C ATOM 333 CG2 VAL A 20 15.055 2.253 5.155 1.00 0.29 C ATOM 0 H VAL A 20 15.660 -1.632 5.065 1.00 0.26 H new ATOM 0 HA VAL A 20 15.618 0.757 3.339 1.00 0.24 H new ATOM 0 HB VAL A 20 14.963 0.234 5.927 1.00 0.25 H new ATOM 0 HG11 VAL A 20 16.514 1.565 7.330 1.00 0.29 H new ATOM 0 HG12 VAL A 20 17.318 0.133 6.644 1.00 0.29 H new ATOM 0 HG13 VAL A 20 17.612 1.741 5.940 1.00 0.29 H new ATOM 0 HG21 VAL A 20 14.733 2.717 6.087 1.00 0.29 H new ATOM 0 HG22 VAL A 20 15.786 2.895 4.663 1.00 0.29 H new ATOM 0 HG23 VAL A 20 14.194 2.116 4.501 1.00 0.29 H new ATOM 343 N LEU A 21 18.354 -0.633 4.493 1.00 0.25 N ATOM 344 CA LEU A 21 19.838 -0.687 4.377 1.00 0.27 C ATOM 345 C LEU A 21 20.226 -1.021 2.936 1.00 0.27 C ATOM 346 O LEU A 21 20.968 -0.302 2.292 1.00 0.28 O ATOM 347 CB LEU A 21 20.370 -1.801 5.284 1.00 0.32 C ATOM 348 CG LEU A 21 20.303 -1.377 6.759 1.00 0.34 C ATOM 349 CD1 LEU A 21 20.682 -2.566 7.646 1.00 0.41 C ATOM 350 CD2 LEU A 21 21.272 -0.217 7.025 1.00 0.34 C ATOM 0 H LEU A 21 17.943 -1.402 5.023 1.00 0.25 H new ATOM 0 HA LEU A 21 20.257 0.277 4.666 1.00 0.27 H new ATOM 0 HB2 LEU A 21 19.786 -2.709 5.134 1.00 0.32 H new ATOM 0 HB3 LEU A 21 21.400 -2.036 5.014 1.00 0.32 H new ATOM 0 HG LEU A 21 19.288 -1.051 6.987 1.00 0.34 H new ATOM 0 HD11 LEU A 21 20.635 -2.268 8.693 1.00 0.41 H new ATOM 0 HD12 LEU A 21 19.987 -3.387 7.471 1.00 0.41 H new ATOM 0 HD13 LEU A 21 21.694 -2.891 7.406 1.00 0.41 H new ATOM 0 HD21 LEU A 21 21.213 0.073 8.074 1.00 0.34 H new ATOM 0 HD22 LEU A 21 22.289 -0.532 6.792 1.00 0.34 H new ATOM 0 HD23 LEU A 21 21.003 0.633 6.398 1.00 0.34 H new ATOM 362 N ASP A 22 19.736 -2.114 2.425 1.00 0.28 N ATOM 363 CA ASP A 22 20.085 -2.507 1.030 1.00 0.31 C ATOM 364 C ASP A 22 19.534 -1.480 0.036 1.00 0.29 C ATOM 365 O ASP A 22 20.069 -1.292 -1.038 1.00 0.31 O ATOM 366 CB ASP A 22 19.481 -3.881 0.726 1.00 0.36 C ATOM 367 CG ASP A 22 20.158 -4.476 -0.510 1.00 0.44 C ATOM 368 OD1 ASP A 22 20.870 -3.747 -1.180 1.00 1.22 O ATOM 369 OD2 ASP A 22 19.953 -5.652 -0.764 1.00 1.01 O ATOM 0 H ASP A 22 19.108 -2.754 2.912 1.00 0.28 H new ATOM 0 HA ASP A 22 21.170 -2.547 0.933 1.00 0.31 H new ATOM 0 HB2 ASP A 22 19.613 -4.545 1.580 1.00 0.36 H new ATOM 0 HB3 ASP A 22 18.408 -3.789 0.557 1.00 0.36 H new ATOM 374 N VAL A 23 18.471 -0.812 0.388 1.00 0.27 N ATOM 375 CA VAL A 23 17.899 0.204 -0.543 1.00 0.27 C ATOM 376 C VAL A 23 18.806 1.437 -0.564 1.00 0.26 C ATOM 377 O VAL A 23 19.198 1.914 -1.613 1.00 0.26 O ATOM 378 CB VAL A 23 16.495 0.610 -0.104 1.00 0.28 C ATOM 379 CG1 VAL A 23 16.093 1.877 -0.857 1.00 0.31 C ATOM 380 CG2 VAL A 23 15.508 -0.510 -0.443 1.00 0.32 C ATOM 0 H VAL A 23 17.976 -0.923 1.273 1.00 0.27 H new ATOM 0 HA VAL A 23 17.837 -0.230 -1.541 1.00 0.27 H new ATOM 0 HB VAL A 23 16.482 0.791 0.971 1.00 0.28 H new ATOM 0 HG11 VAL A 23 15.091 2.179 -0.553 1.00 0.31 H new ATOM 0 HG12 VAL A 23 16.798 2.676 -0.627 1.00 0.31 H new ATOM 0 HG13 VAL A 23 16.103 1.682 -1.929 1.00 0.31 H new ATOM 0 HG21 VAL A 23 14.506 -0.219 -0.129 1.00 0.32 H new ATOM 0 HG22 VAL A 23 15.514 -0.687 -1.518 1.00 0.32 H new ATOM 0 HG23 VAL A 23 15.800 -1.422 0.077 1.00 0.32 H new ATOM 390 N ILE A 24 19.153 1.952 0.585 1.00 0.25 N ATOM 391 CA ILE A 24 20.042 3.145 0.614 1.00 0.26 C ATOM 392 C ILE A 24 21.399 2.757 0.036 1.00 0.26 C ATOM 393 O ILE A 24 22.175 3.600 -0.369 1.00 0.28 O ATOM 394 CB ILE A 24 20.195 3.650 2.057 1.00 0.30 C ATOM 395 CG1 ILE A 24 20.346 5.173 2.045 1.00 0.57 C ATOM 396 CG2 ILE A 24 21.428 3.025 2.716 1.00 0.45 C ATOM 397 CD1 ILE A 24 20.664 5.665 3.459 1.00 0.58 C ATOM 0 H ILE A 24 18.861 1.600 1.497 1.00 0.25 H new ATOM 0 HA ILE A 24 19.609 3.948 0.017 1.00 0.26 H new ATOM 0 HB ILE A 24 19.310 3.366 2.626 1.00 0.30 H new ATOM 0 HG12 ILE A 24 21.141 5.465 1.359 1.00 0.57 H new ATOM 0 HG13 ILE A 24 19.428 5.637 1.685 1.00 0.57 H new ATOM 0 HG21 ILE A 24 21.521 3.394 3.737 1.00 0.45 H new ATOM 0 HG22 ILE A 24 21.323 1.940 2.730 1.00 0.45 H new ATOM 0 HG23 ILE A 24 22.319 3.295 2.150 1.00 0.45 H new ATOM 0 HD11 ILE A 24 20.772 6.750 3.451 1.00 0.58 H new ATOM 0 HD12 ILE A 24 19.854 5.386 4.132 1.00 0.58 H new ATOM 0 HD13 ILE A 24 21.594 5.211 3.802 1.00 0.58 H new ATOM 409 N VAL A 25 21.686 1.485 -0.027 1.00 0.26 N ATOM 410 CA VAL A 25 22.986 1.052 -0.605 1.00 0.29 C ATOM 411 C VAL A 25 22.923 1.198 -2.128 1.00 0.29 C ATOM 412 O VAL A 25 23.846 1.675 -2.754 1.00 0.31 O ATOM 413 CB VAL A 25 23.249 -0.411 -0.244 1.00 0.31 C ATOM 414 CG1 VAL A 25 24.281 -0.996 -1.210 1.00 0.41 C ATOM 415 CG2 VAL A 25 23.786 -0.493 1.186 1.00 0.36 C ATOM 0 H VAL A 25 21.079 0.732 0.296 1.00 0.26 H new ATOM 0 HA VAL A 25 23.791 1.669 -0.205 1.00 0.29 H new ATOM 0 HB VAL A 25 22.320 -0.977 -0.317 1.00 0.31 H new ATOM 0 HG11 VAL A 25 24.469 -2.039 -0.954 1.00 0.41 H new ATOM 0 HG12 VAL A 25 23.900 -0.936 -2.230 1.00 0.41 H new ATOM 0 HG13 VAL A 25 25.210 -0.431 -1.136 1.00 0.41 H new ATOM 0 HG21 VAL A 25 23.974 -1.535 1.445 1.00 0.36 H new ATOM 0 HG22 VAL A 25 24.715 0.072 1.259 1.00 0.36 H new ATOM 0 HG23 VAL A 25 23.052 -0.075 1.875 1.00 0.36 H new ATOM 425 N LEU A 26 21.846 0.776 -2.734 1.00 0.29 N ATOM 426 CA LEU A 26 21.727 0.880 -4.215 1.00 0.32 C ATOM 427 C LEU A 26 21.649 2.354 -4.637 1.00 0.32 C ATOM 428 O LEU A 26 22.129 2.739 -5.686 1.00 0.35 O ATOM 429 CB LEU A 26 20.461 0.143 -4.654 1.00 0.36 C ATOM 430 CG LEU A 26 20.806 -1.310 -5.005 1.00 0.65 C ATOM 431 CD1 LEU A 26 19.565 -2.188 -4.840 1.00 0.49 C ATOM 432 CD2 LEU A 26 21.283 -1.397 -6.458 1.00 1.19 C ATOM 0 H LEU A 26 21.041 0.362 -2.264 1.00 0.29 H new ATOM 0 HA LEU A 26 22.601 0.433 -4.688 1.00 0.32 H new ATOM 0 HB2 LEU A 26 19.718 0.168 -3.856 1.00 0.36 H new ATOM 0 HB3 LEU A 26 20.019 0.641 -5.517 1.00 0.36 H new ATOM 0 HG LEU A 26 21.596 -1.655 -4.338 1.00 0.65 H new ATOM 0 HD11 LEU A 26 19.813 -3.219 -5.090 1.00 0.49 H new ATOM 0 HD12 LEU A 26 19.219 -2.138 -3.808 1.00 0.49 H new ATOM 0 HD13 LEU A 26 18.777 -1.833 -5.505 1.00 0.49 H new ATOM 0 HD21 LEU A 26 21.526 -2.432 -6.700 1.00 1.19 H new ATOM 0 HD22 LEU A 26 20.493 -1.045 -7.122 1.00 1.19 H new ATOM 0 HD23 LEU A 26 22.169 -0.776 -6.588 1.00 1.19 H new ATOM 444 N PHE A 27 21.074 3.189 -3.816 1.00 0.31 N ATOM 445 CA PHE A 27 21.006 4.635 -4.167 1.00 0.33 C ATOM 446 C PHE A 27 22.435 5.162 -4.187 1.00 0.34 C ATOM 447 O PHE A 27 22.763 6.125 -4.851 1.00 0.37 O ATOM 448 CB PHE A 27 20.193 5.388 -3.116 1.00 0.35 C ATOM 449 CG PHE A 27 20.530 6.859 -3.178 1.00 0.44 C ATOM 450 CD1 PHE A 27 20.185 7.607 -4.312 1.00 1.38 C ATOM 451 CD2 PHE A 27 21.188 7.475 -2.107 1.00 1.19 C ATOM 452 CE1 PHE A 27 20.497 8.970 -4.373 1.00 1.46 C ATOM 453 CE2 PHE A 27 21.501 8.840 -2.170 1.00 1.22 C ATOM 454 CZ PHE A 27 21.155 9.587 -3.303 1.00 0.71 C ATOM 0 H PHE A 27 20.651 2.935 -2.923 1.00 0.31 H new ATOM 0 HA PHE A 27 20.526 4.775 -5.135 1.00 0.33 H new ATOM 0 HB2 PHE A 27 19.127 5.240 -3.291 1.00 0.35 H new ATOM 0 HB3 PHE A 27 20.411 4.996 -2.123 1.00 0.35 H new ATOM 0 HD1 PHE A 27 19.678 7.132 -5.139 1.00 1.38 H new ATOM 0 HD2 PHE A 27 21.454 6.899 -1.233 1.00 1.19 H new ATOM 0 HE1 PHE A 27 20.230 9.546 -5.247 1.00 1.46 H new ATOM 0 HE2 PHE A 27 22.009 9.316 -1.344 1.00 1.22 H new ATOM 0 HZ PHE A 27 21.396 10.639 -3.351 1.00 0.71 H new ATOM 464 N ASN A 28 23.282 4.501 -3.457 1.00 0.33 N ATOM 465 CA ASN A 28 24.711 4.905 -3.405 1.00 0.36 C ATOM 466 C ASN A 28 25.335 4.738 -4.792 1.00 0.38 C ATOM 467 O ASN A 28 26.276 5.422 -5.141 1.00 0.41 O ATOM 468 CB ASN A 28 25.454 4.029 -2.401 1.00 0.35 C ATOM 469 CG ASN A 28 26.412 4.893 -1.581 1.00 0.39 C ATOM 470 OD1 ASN A 28 26.030 5.457 -0.575 1.00 1.15 O ATOM 471 ND2 ASN A 28 27.650 5.021 -1.970 1.00 0.98 N ATOM 0 H ASN A 28 23.044 3.689 -2.887 1.00 0.33 H new ATOM 0 HA ASN A 28 24.784 5.948 -3.096 1.00 0.36 H new ATOM 0 HB2 ASN A 28 24.743 3.530 -1.742 1.00 0.35 H new ATOM 0 HB3 ASN A 28 26.008 3.249 -2.923 1.00 0.35 H new ATOM 0 HD21 ASN A 28 28.298 5.595 -1.430 1.00 0.98 H new ATOM 0 HD22 ASN A 28 27.971 4.547 -2.815 1.00 0.98 H new ATOM 478 N GLN A 29 24.822 3.837 -5.593 1.00 0.38 N ATOM 479 CA GLN A 29 25.399 3.643 -6.954 1.00 0.40 C ATOM 480 C GLN A 29 24.693 4.576 -7.941 1.00 0.43 C ATOM 481 O GLN A 29 25.032 4.631 -9.107 1.00 0.51 O ATOM 482 CB GLN A 29 25.196 2.190 -7.390 1.00 0.40 C ATOM 483 CG GLN A 29 25.697 1.251 -6.290 1.00 0.38 C ATOM 484 CD GLN A 29 25.456 -0.201 -6.711 1.00 0.40 C ATOM 485 OE1 GLN A 29 24.485 -0.500 -7.377 1.00 1.17 O ATOM 486 NE2 GLN A 29 26.306 -1.123 -6.346 1.00 1.10 N ATOM 0 H GLN A 29 24.034 3.232 -5.363 1.00 0.38 H new ATOM 0 HA GLN A 29 26.465 3.871 -6.936 1.00 0.40 H new ATOM 0 HB2 GLN A 29 24.141 2.003 -7.589 1.00 0.40 H new ATOM 0 HB3 GLN A 29 25.734 1.999 -8.318 1.00 0.40 H new ATOM 0 HG2 GLN A 29 26.759 1.418 -6.111 1.00 0.38 H new ATOM 0 HG3 GLN A 29 25.179 1.460 -5.354 1.00 0.38 H new ATOM 0 HE21 GLN A 29 27.121 -0.872 -5.787 1.00 1.10 H new ATOM 0 HE22 GLN A 29 26.154 -2.094 -6.620 1.00 1.10 H new ATOM 495 N GLY A 30 23.720 5.313 -7.472 1.00 0.39 N ATOM 496 CA GLY A 30 22.985 6.260 -8.364 1.00 0.42 C ATOM 497 C GLY A 30 21.575 5.734 -8.641 1.00 0.37 C ATOM 498 O GLY A 30 20.905 6.188 -9.546 1.00 0.39 O ATOM 0 H GLY A 30 23.401 5.300 -6.503 1.00 0.39 H new ATOM 0 HA2 GLY A 30 22.930 7.243 -7.897 1.00 0.42 H new ATOM 0 HA3 GLY A 30 23.527 6.383 -9.302 1.00 0.42 H new ATOM 502 N ILE A 31 21.111 4.790 -7.869 1.00 0.33 N ATOM 503 CA ILE A 31 19.738 4.261 -8.103 1.00 0.31 C ATOM 504 C ILE A 31 18.732 5.236 -7.498 1.00 0.28 C ATOM 505 O ILE A 31 18.578 5.314 -6.295 1.00 0.30 O ATOM 506 CB ILE A 31 19.626 2.878 -7.466 1.00 0.30 C ATOM 507 CG1 ILE A 31 20.680 1.966 -8.121 1.00 0.35 C ATOM 508 CG2 ILE A 31 18.218 2.302 -7.658 1.00 0.31 C ATOM 509 CD1 ILE A 31 20.457 1.830 -9.635 1.00 0.35 C ATOM 0 H ILE A 31 21.618 4.365 -7.093 1.00 0.33 H new ATOM 0 HA ILE A 31 19.531 4.164 -9.169 1.00 0.31 H new ATOM 0 HB ILE A 31 19.804 2.947 -6.393 1.00 0.30 H new ATOM 0 HG12 ILE A 31 21.675 2.370 -7.935 1.00 0.35 H new ATOM 0 HG13 ILE A 31 20.645 0.980 -7.659 1.00 0.35 H new ATOM 0 HG21 ILE A 31 18.162 1.316 -7.196 1.00 0.31 H new ATOM 0 HG22 ILE A 31 17.488 2.963 -7.192 1.00 0.31 H new ATOM 0 HG23 ILE A 31 18.002 2.216 -8.723 1.00 0.31 H new ATOM 0 HD11 ILE A 31 21.222 1.179 -10.058 1.00 0.35 H new ATOM 0 HD12 ILE A 31 19.472 1.402 -9.821 1.00 0.35 H new ATOM 0 HD13 ILE A 31 20.519 2.813 -10.102 1.00 0.35 H new ATOM 521 N ASP A 32 18.045 5.987 -8.323 1.00 0.26 N ATOM 522 CA ASP A 32 17.055 6.958 -7.797 1.00 0.27 C ATOM 523 C ASP A 32 15.659 6.339 -7.775 1.00 0.28 C ATOM 524 O ASP A 32 14.877 6.589 -6.880 1.00 0.45 O ATOM 525 CB ASP A 32 17.044 8.203 -8.687 1.00 0.30 C ATOM 526 CG ASP A 32 18.372 8.950 -8.540 1.00 0.72 C ATOM 527 OD1 ASP A 32 19.378 8.421 -8.984 1.00 1.22 O ATOM 528 OD2 ASP A 32 18.360 10.038 -7.988 1.00 1.55 O ATOM 0 H ASP A 32 18.132 5.964 -9.339 1.00 0.26 H new ATOM 0 HA ASP A 32 17.335 7.230 -6.779 1.00 0.27 H new ATOM 0 HB2 ASP A 32 16.889 7.917 -9.727 1.00 0.30 H new ATOM 0 HB3 ASP A 32 16.216 8.854 -8.408 1.00 0.30 H new ATOM 533 N GLU A 33 15.328 5.552 -8.767 1.00 0.26 N ATOM 534 CA GLU A 33 13.975 4.941 -8.818 1.00 0.27 C ATOM 535 C GLU A 33 14.019 3.545 -8.211 1.00 0.23 C ATOM 536 O GLU A 33 14.924 2.783 -8.474 1.00 0.23 O ATOM 537 CB GLU A 33 13.497 4.852 -10.264 1.00 0.29 C ATOM 538 CG GLU A 33 13.931 6.108 -11.021 1.00 0.48 C ATOM 539 CD GLU A 33 12.812 6.550 -11.966 1.00 0.71 C ATOM 540 OE1 GLU A 33 12.123 5.684 -12.482 1.00 1.15 O ATOM 541 OE2 GLU A 33 12.663 7.745 -12.160 1.00 1.58 O ATOM 0 H GLU A 33 15.942 5.308 -9.544 1.00 0.26 H new ATOM 0 HA GLU A 33 13.284 5.563 -8.250 1.00 0.27 H new ATOM 0 HB2 GLU A 33 13.912 3.965 -10.742 1.00 0.29 H new ATOM 0 HB3 GLU A 33 12.412 4.752 -10.294 1.00 0.29 H new ATOM 0 HG2 GLU A 33 14.163 6.907 -10.317 1.00 0.48 H new ATOM 0 HG3 GLU A 33 14.841 5.908 -11.587 1.00 0.48 H new ATOM 548 N VAL A 34 13.069 3.209 -7.386 1.00 0.21 N ATOM 549 CA VAL A 34 13.095 1.862 -6.754 1.00 0.20 C ATOM 550 C VAL A 34 11.672 1.369 -6.487 1.00 0.19 C ATOM 551 O VAL A 34 10.802 2.120 -6.089 1.00 0.20 O ATOM 552 CB VAL A 34 13.870 1.940 -5.439 1.00 0.21 C ATOM 553 CG1 VAL A 34 13.338 3.087 -4.599 1.00 0.54 C ATOM 554 CG2 VAL A 34 13.715 0.625 -4.670 1.00 0.43 C ATOM 0 H VAL A 34 12.282 3.802 -7.123 1.00 0.21 H new ATOM 0 HA VAL A 34 13.583 1.160 -7.430 1.00 0.20 H new ATOM 0 HB VAL A 34 14.925 2.110 -5.654 1.00 0.21 H new ATOM 0 HG11 VAL A 34 13.893 3.140 -3.662 1.00 0.54 H new ATOM 0 HG12 VAL A 34 13.457 4.023 -5.144 1.00 0.54 H new ATOM 0 HG13 VAL A 34 12.282 2.923 -4.386 1.00 0.54 H new ATOM 0 HG21 VAL A 34 14.269 0.684 -3.733 1.00 0.43 H new ATOM 0 HG22 VAL A 34 12.660 0.450 -4.458 1.00 0.43 H new ATOM 0 HG23 VAL A 34 14.105 -0.196 -5.271 1.00 0.43 H new ATOM 564 N ILE A 35 11.445 0.106 -6.750 1.00 0.19 N ATOM 565 CA ILE A 35 10.086 -0.486 -6.564 1.00 0.19 C ATOM 566 C ILE A 35 10.110 -1.577 -5.499 1.00 0.19 C ATOM 567 O ILE A 35 10.894 -2.502 -5.570 1.00 0.20 O ATOM 568 CB ILE A 35 9.637 -1.081 -7.892 1.00 0.19 C ATOM 569 CG1 ILE A 35 10.202 -0.209 -9.013 1.00 0.22 C ATOM 570 CG2 ILE A 35 8.106 -1.103 -7.952 1.00 0.19 C ATOM 571 CD1 ILE A 35 9.306 -0.302 -10.254 1.00 0.25 C ATOM 0 H ILE A 35 12.152 -0.546 -7.089 1.00 0.19 H new ATOM 0 HA ILE A 35 9.395 0.292 -6.238 1.00 0.19 H new ATOM 0 HB ILE A 35 9.998 -2.104 -7.999 1.00 0.19 H new ATOM 0 HG12 ILE A 35 10.269 0.827 -8.680 1.00 0.22 H new ATOM 0 HG13 ILE A 35 11.214 -0.531 -9.260 1.00 0.22 H new ATOM 0 HG21 ILE A 35 7.785 -1.529 -8.903 1.00 0.19 H new ATOM 0 HG22 ILE A 35 7.718 -1.710 -7.133 1.00 0.19 H new ATOM 0 HG23 ILE A 35 7.724 -0.086 -7.863 1.00 0.19 H new ATOM 0 HD11 ILE A 35 9.717 0.323 -11.047 1.00 0.25 H new ATOM 0 HD12 ILE A 35 9.261 -1.337 -10.594 1.00 0.25 H new ATOM 0 HD13 ILE A 35 8.302 0.042 -10.005 1.00 0.25 H new ATOM 583 N LEU A 36 9.235 -1.484 -4.524 1.00 0.21 N ATOM 584 CA LEU A 36 9.179 -2.525 -3.460 1.00 0.23 C ATOM 585 C LEU A 36 7.864 -3.294 -3.575 1.00 0.23 C ATOM 586 O LEU A 36 6.797 -2.721 -3.473 1.00 0.24 O ATOM 587 CB LEU A 36 9.264 -1.873 -2.075 1.00 0.24 C ATOM 588 CG LEU A 36 10.660 -2.114 -1.482 1.00 0.30 C ATOM 589 CD1 LEU A 36 11.698 -1.323 -2.281 1.00 0.40 C ATOM 590 CD2 LEU A 36 10.680 -1.646 -0.029 1.00 0.30 C ATOM 0 H LEU A 36 8.558 -0.728 -4.424 1.00 0.21 H new ATOM 0 HA LEU A 36 10.021 -3.206 -3.585 1.00 0.23 H new ATOM 0 HB2 LEU A 36 9.069 -0.803 -2.152 1.00 0.24 H new ATOM 0 HB3 LEU A 36 8.501 -2.289 -1.418 1.00 0.24 H new ATOM 0 HG LEU A 36 10.896 -3.177 -1.529 1.00 0.30 H new ATOM 0 HD11 LEU A 36 12.689 -1.494 -1.860 1.00 0.40 H new ATOM 0 HD12 LEU A 36 11.684 -1.651 -3.321 1.00 0.40 H new ATOM 0 HD13 LEU A 36 11.462 -0.260 -2.232 1.00 0.40 H new ATOM 0 HD21 LEU A 36 11.670 -1.816 0.394 1.00 0.30 H new ATOM 0 HD22 LEU A 36 10.445 -0.583 0.014 1.00 0.30 H new ATOM 0 HD23 LEU A 36 9.940 -2.205 0.543 1.00 0.30 H new ATOM 602 N LYS A 37 7.934 -4.592 -3.741 1.00 0.23 N ATOM 603 CA LYS A 37 6.677 -5.401 -3.810 1.00 0.23 C ATOM 604 C LYS A 37 6.534 -6.184 -2.506 1.00 0.18 C ATOM 605 O LYS A 37 7.493 -6.726 -1.993 1.00 0.19 O ATOM 606 CB LYS A 37 6.708 -6.368 -4.990 1.00 0.31 C ATOM 607 CG LYS A 37 7.721 -5.892 -6.037 1.00 1.23 C ATOM 608 CD LYS A 37 7.399 -6.531 -7.391 1.00 1.52 C ATOM 609 CE LYS A 37 8.366 -5.999 -8.451 1.00 2.39 C ATOM 610 NZ LYS A 37 8.864 -7.130 -9.283 1.00 2.74 N ATOM 0 H LYS A 37 8.800 -5.123 -3.831 1.00 0.23 H new ATOM 0 HA LYS A 37 5.829 -4.731 -3.950 1.00 0.23 H new ATOM 0 HB2 LYS A 37 6.973 -7.367 -4.644 1.00 0.31 H new ATOM 0 HB3 LYS A 37 5.717 -6.439 -5.438 1.00 0.31 H new ATOM 0 HG2 LYS A 37 7.690 -4.806 -6.120 1.00 1.23 H new ATOM 0 HG3 LYS A 37 8.731 -6.160 -5.728 1.00 1.23 H new ATOM 0 HD2 LYS A 37 7.480 -7.616 -7.321 1.00 1.52 H new ATOM 0 HD3 LYS A 37 6.371 -6.306 -7.676 1.00 1.52 H new ATOM 0 HE2 LYS A 37 7.864 -5.264 -9.080 1.00 2.39 H new ATOM 0 HE3 LYS A 37 9.203 -5.490 -7.972 1.00 2.39 H new ATOM 0 HZ1 LYS A 37 9.521 -6.768 -10.003 1.00 2.74 H new ATOM 0 HZ2 LYS A 37 9.358 -7.816 -8.677 1.00 2.74 H new ATOM 0 HZ3 LYS A 37 8.061 -7.597 -9.751 1.00 2.74 H new ATOM 624 N GLY A 38 5.351 -6.229 -1.959 1.00 0.18 N ATOM 625 CA GLY A 38 5.163 -6.964 -0.667 1.00 0.21 C ATOM 626 C GLY A 38 3.822 -7.698 -0.635 1.00 0.18 C ATOM 627 O GLY A 38 2.908 -7.364 -1.351 1.00 0.19 O ATOM 0 H GLY A 38 4.511 -5.795 -2.342 1.00 0.18 H new ATOM 0 HA2 GLY A 38 5.975 -7.679 -0.532 1.00 0.21 H new ATOM 0 HA3 GLY A 38 5.215 -6.261 0.165 1.00 0.21 H new ATOM 631 N THR A 39 3.726 -8.725 0.182 1.00 0.20 N ATOM 632 CA THR A 39 2.462 -9.527 0.247 1.00 0.25 C ATOM 633 C THR A 39 2.026 -9.803 1.691 1.00 0.23 C ATOM 634 O THR A 39 2.832 -10.042 2.554 1.00 0.22 O ATOM 635 CB THR A 39 2.699 -10.865 -0.454 1.00 0.28 C ATOM 636 OG1 THR A 39 3.629 -11.632 0.298 1.00 0.43 O ATOM 637 CG2 THR A 39 3.257 -10.617 -1.856 1.00 0.56 C ATOM 0 H THR A 39 4.469 -9.040 0.805 1.00 0.20 H new ATOM 0 HA THR A 39 1.673 -8.953 -0.239 1.00 0.25 H new ATOM 0 HB THR A 39 1.757 -11.407 -0.531 1.00 0.28 H new ATOM 0 HG1 THR A 39 3.781 -12.491 -0.148 1.00 0.43 H new ATOM 0 HG21 THR A 39 3.426 -11.572 -2.355 1.00 0.56 H new ATOM 0 HG22 THR A 39 2.544 -10.027 -2.432 1.00 0.56 H new ATOM 0 HG23 THR A 39 4.200 -10.075 -1.782 1.00 0.56 H new ATOM 645 N GLY A 40 0.731 -9.781 1.925 1.00 0.27 N ATOM 646 CA GLY A 40 0.158 -10.060 3.286 1.00 0.30 C ATOM 647 C GLY A 40 1.050 -9.524 4.410 1.00 0.29 C ATOM 648 O GLY A 40 0.763 -8.516 5.015 1.00 0.33 O ATOM 0 H GLY A 40 0.031 -9.576 1.212 1.00 0.27 H new ATOM 0 HA2 GLY A 40 -0.831 -9.607 3.362 1.00 0.30 H new ATOM 0 HA3 GLY A 40 0.027 -11.135 3.410 1.00 0.30 H new ATOM 652 N ARG A 41 2.117 -10.206 4.709 1.00 0.27 N ATOM 653 CA ARG A 41 3.022 -9.748 5.801 1.00 0.28 C ATOM 654 C ARG A 41 4.046 -8.765 5.234 1.00 0.24 C ATOM 655 O ARG A 41 4.148 -7.639 5.678 1.00 0.25 O ATOM 656 CB ARG A 41 3.748 -10.949 6.418 1.00 0.31 C ATOM 657 CG ARG A 41 3.873 -12.074 5.385 1.00 0.64 C ATOM 658 CD ARG A 41 2.626 -12.972 5.415 1.00 0.92 C ATOM 659 NE ARG A 41 1.452 -12.208 5.929 1.00 1.69 N ATOM 660 CZ ARG A 41 0.288 -12.791 6.032 1.00 2.12 C ATOM 661 NH1 ARG A 41 0.154 -14.044 5.695 1.00 2.03 N ATOM 662 NH2 ARG A 41 -0.740 -12.120 6.473 1.00 3.09 N ATOM 0 H ARG A 41 2.405 -11.066 4.242 1.00 0.27 H new ATOM 0 HA ARG A 41 2.431 -9.255 6.573 1.00 0.28 H new ATOM 0 HB2 ARG A 41 4.738 -10.649 6.762 1.00 0.31 H new ATOM 0 HB3 ARG A 41 3.202 -11.305 7.291 1.00 0.31 H new ATOM 0 HG2 ARG A 41 3.999 -11.649 4.389 1.00 0.64 H new ATOM 0 HG3 ARG A 41 4.762 -12.669 5.592 1.00 0.64 H new ATOM 0 HD2 ARG A 41 2.415 -13.347 4.413 1.00 0.92 H new ATOM 0 HD3 ARG A 41 2.809 -13.840 6.048 1.00 0.92 H new ATOM 0 HE ARG A 41 1.559 -11.230 6.200 1.00 1.69 H new ATOM 0 HH11 ARG A 41 0.958 -14.568 5.351 1.00 2.03 H new ATOM 0 HH12 ARG A 41 -0.755 -14.499 5.775 1.00 2.03 H new ATOM 0 HH21 ARG A 41 -0.634 -11.140 6.737 1.00 3.09 H new ATOM 0 HH22 ARG A 41 -1.649 -12.575 6.554 1.00 3.09 H new ATOM 676 N GLU A 42 4.816 -9.180 4.267 1.00 0.21 N ATOM 677 CA GLU A 42 5.838 -8.269 3.691 1.00 0.18 C ATOM 678 C GLU A 42 5.147 -6.997 3.197 1.00 0.17 C ATOM 679 O GLU A 42 5.766 -5.964 3.027 1.00 0.18 O ATOM 680 CB GLU A 42 6.535 -8.955 2.508 1.00 0.16 C ATOM 681 CG GLU A 42 6.101 -10.422 2.402 1.00 0.20 C ATOM 682 CD GLU A 42 6.840 -11.092 1.240 1.00 0.22 C ATOM 683 OE1 GLU A 42 7.082 -10.418 0.252 1.00 1.06 O ATOM 684 OE2 GLU A 42 7.148 -12.266 1.359 1.00 1.09 O ATOM 0 H GLU A 42 4.780 -10.111 3.852 1.00 0.21 H new ATOM 0 HA GLU A 42 6.578 -8.022 4.453 1.00 0.18 H new ATOM 0 HB2 GLU A 42 6.293 -8.431 1.583 1.00 0.16 H new ATOM 0 HB3 GLU A 42 7.616 -8.898 2.633 1.00 0.16 H new ATOM 0 HG2 GLU A 42 6.318 -10.944 3.334 1.00 0.20 H new ATOM 0 HG3 GLU A 42 5.024 -10.483 2.245 1.00 0.20 H new ATOM 691 N ILE A 43 3.869 -7.064 2.956 1.00 0.19 N ATOM 692 CA ILE A 43 3.131 -5.866 2.468 1.00 0.20 C ATOM 693 C ILE A 43 3.356 -4.662 3.398 1.00 0.22 C ATOM 694 O ILE A 43 3.395 -3.533 2.956 1.00 0.24 O ATOM 695 CB ILE A 43 1.640 -6.206 2.425 1.00 0.26 C ATOM 696 CG1 ILE A 43 0.919 -5.243 1.486 1.00 0.40 C ATOM 697 CG2 ILE A 43 1.057 -6.070 3.827 1.00 0.38 C ATOM 698 CD1 ILE A 43 -0.569 -5.585 1.454 1.00 0.87 C ATOM 0 H ILE A 43 3.300 -7.902 3.077 1.00 0.19 H new ATOM 0 HA ILE A 43 3.496 -5.599 1.476 1.00 0.20 H new ATOM 0 HB ILE A 43 1.510 -7.227 2.065 1.00 0.26 H new ATOM 0 HG12 ILE A 43 1.060 -4.216 1.822 1.00 0.40 H new ATOM 0 HG13 ILE A 43 1.341 -5.311 0.483 1.00 0.40 H new ATOM 0 HG21 ILE A 43 -0.006 -6.311 3.804 1.00 0.38 H new ATOM 0 HG22 ILE A 43 1.570 -6.755 4.502 1.00 0.38 H new ATOM 0 HG23 ILE A 43 1.190 -5.047 4.179 1.00 0.38 H new ATOM 0 HD11 ILE A 43 -1.086 -4.898 0.784 1.00 0.87 H new ATOM 0 HD12 ILE A 43 -0.700 -6.607 1.098 1.00 0.87 H new ATOM 0 HD13 ILE A 43 -0.985 -5.494 2.457 1.00 0.87 H new ATOM 710 N SER A 44 3.498 -4.883 4.677 1.00 0.24 N ATOM 711 CA SER A 44 3.709 -3.742 5.608 1.00 0.27 C ATOM 712 C SER A 44 5.198 -3.444 5.676 1.00 0.26 C ATOM 713 O SER A 44 5.606 -2.331 5.944 1.00 0.27 O ATOM 714 CB SER A 44 3.191 -4.105 6.999 1.00 0.31 C ATOM 715 OG SER A 44 2.788 -5.469 7.009 1.00 1.14 O ATOM 0 H SER A 44 3.477 -5.804 5.115 1.00 0.24 H new ATOM 0 HA SER A 44 3.168 -2.865 5.251 1.00 0.27 H new ATOM 0 HB2 SER A 44 3.969 -3.938 7.744 1.00 0.31 H new ATOM 0 HB3 SER A 44 2.351 -3.464 7.266 1.00 0.31 H new ATOM 0 HG SER A 44 2.457 -5.706 7.900 1.00 1.14 H new ATOM 721 N LYS A 45 6.020 -4.414 5.390 1.00 0.25 N ATOM 722 CA LYS A 45 7.469 -4.125 5.399 1.00 0.25 C ATOM 723 C LYS A 45 7.659 -3.007 4.386 1.00 0.23 C ATOM 724 O LYS A 45 7.997 -1.895 4.738 1.00 0.25 O ATOM 725 CB LYS A 45 8.272 -5.368 5.000 1.00 0.24 C ATOM 726 CG LYS A 45 8.529 -6.232 6.238 1.00 0.42 C ATOM 727 CD LYS A 45 7.216 -6.465 6.992 1.00 0.90 C ATOM 728 CE LYS A 45 7.338 -7.714 7.867 1.00 0.82 C ATOM 729 NZ LYS A 45 6.749 -8.881 7.151 1.00 1.86 N ATOM 0 H LYS A 45 5.755 -5.371 5.156 1.00 0.25 H new ATOM 0 HA LYS A 45 7.821 -3.837 6.389 1.00 0.25 H new ATOM 0 HB2 LYS A 45 7.726 -5.941 4.251 1.00 0.24 H new ATOM 0 HB3 LYS A 45 9.218 -5.072 4.547 1.00 0.24 H new ATOM 0 HG2 LYS A 45 8.963 -7.187 5.942 1.00 0.42 H new ATOM 0 HG3 LYS A 45 9.251 -5.742 6.891 1.00 0.42 H new ATOM 0 HD2 LYS A 45 6.981 -5.598 7.610 1.00 0.90 H new ATOM 0 HD3 LYS A 45 6.395 -6.584 6.285 1.00 0.90 H new ATOM 0 HE2 LYS A 45 8.385 -7.907 8.100 1.00 0.82 H new ATOM 0 HE3 LYS A 45 6.824 -7.558 8.816 1.00 0.82 H new ATOM 0 HZ1 LYS A 45 7.022 -9.760 7.636 1.00 1.86 H new ATOM 0 HZ2 LYS A 45 5.712 -8.797 7.145 1.00 1.86 H new ATOM 0 HZ3 LYS A 45 7.101 -8.902 6.172 1.00 1.86 H new ATOM 743 N ALA A 46 7.448 -3.307 3.127 1.00 0.22 N ATOM 744 CA ALA A 46 7.608 -2.277 2.051 1.00 0.23 C ATOM 745 C ALA A 46 7.185 -0.892 2.563 1.00 0.22 C ATOM 746 O ALA A 46 7.892 0.081 2.392 1.00 0.29 O ATOM 747 CB ALA A 46 6.739 -2.656 0.850 1.00 0.25 C ATOM 0 H ALA A 46 7.169 -4.230 2.795 1.00 0.22 H new ATOM 0 HA ALA A 46 8.657 -2.240 1.757 1.00 0.23 H new ATOM 0 HB1 ALA A 46 6.855 -1.907 0.066 1.00 0.25 H new ATOM 0 HB2 ALA A 46 7.048 -3.630 0.470 1.00 0.25 H new ATOM 0 HB3 ALA A 46 5.694 -2.702 1.157 1.00 0.25 H new ATOM 753 N VAL A 47 6.046 -0.794 3.194 1.00 0.17 N ATOM 754 CA VAL A 47 5.596 0.532 3.720 1.00 0.17 C ATOM 755 C VAL A 47 6.615 1.046 4.734 1.00 0.17 C ATOM 756 O VAL A 47 7.264 2.052 4.521 1.00 0.16 O ATOM 757 CB VAL A 47 4.234 0.394 4.410 1.00 0.18 C ATOM 758 CG1 VAL A 47 3.808 1.756 4.980 1.00 0.22 C ATOM 759 CG2 VAL A 47 3.196 -0.092 3.397 1.00 0.20 C ATOM 0 H VAL A 47 5.408 -1.570 3.369 1.00 0.17 H new ATOM 0 HA VAL A 47 5.509 1.230 2.888 1.00 0.17 H new ATOM 0 HB VAL A 47 4.308 -0.328 5.223 1.00 0.18 H new ATOM 0 HG11 VAL A 47 2.840 1.658 5.471 1.00 0.22 H new ATOM 0 HG12 VAL A 47 4.549 2.095 5.704 1.00 0.22 H new ATOM 0 HG13 VAL A 47 3.733 2.482 4.170 1.00 0.22 H new ATOM 0 HG21 VAL A 47 2.227 -0.190 3.887 1.00 0.20 H new ATOM 0 HG22 VAL A 47 3.119 0.627 2.582 1.00 0.20 H new ATOM 0 HG23 VAL A 47 3.501 -1.060 2.999 1.00 0.20 H new ATOM 769 N ASP A 48 6.760 0.358 5.833 1.00 0.20 N ATOM 770 CA ASP A 48 7.740 0.795 6.867 1.00 0.23 C ATOM 771 C ASP A 48 9.054 1.134 6.173 1.00 0.24 C ATOM 772 O ASP A 48 9.605 2.203 6.344 1.00 0.26 O ATOM 773 CB ASP A 48 7.970 -0.343 7.861 1.00 0.26 C ATOM 774 CG ASP A 48 8.818 0.163 9.030 1.00 0.44 C ATOM 775 OD1 ASP A 48 9.482 1.172 8.861 1.00 1.26 O ATOM 776 OD2 ASP A 48 8.785 -0.464 10.076 1.00 1.11 O ATOM 0 H ASP A 48 6.241 -0.490 6.060 1.00 0.20 H new ATOM 0 HA ASP A 48 7.361 1.667 7.400 1.00 0.23 H new ATOM 0 HB2 ASP A 48 7.015 -0.719 8.227 1.00 0.26 H new ATOM 0 HB3 ASP A 48 8.472 -1.175 7.367 1.00 0.26 H new ATOM 781 N VAL A 49 9.541 0.226 5.374 1.00 0.26 N ATOM 782 CA VAL A 49 10.806 0.486 4.638 1.00 0.30 C ATOM 783 C VAL A 49 10.710 1.879 4.018 1.00 0.29 C ATOM 784 O VAL A 49 11.529 2.742 4.265 1.00 0.29 O ATOM 785 CB VAL A 49 10.996 -0.560 3.537 1.00 0.37 C ATOM 786 CG1 VAL A 49 12.204 -0.182 2.678 1.00 1.06 C ATOM 787 CG2 VAL A 49 11.237 -1.930 4.173 1.00 0.95 C ATOM 0 H VAL A 49 9.116 -0.685 5.200 1.00 0.26 H new ATOM 0 HA VAL A 49 11.657 0.428 5.317 1.00 0.30 H new ATOM 0 HB VAL A 49 10.102 -0.598 2.914 1.00 0.37 H new ATOM 0 HG11 VAL A 49 12.340 -0.927 1.894 1.00 1.06 H new ATOM 0 HG12 VAL A 49 12.037 0.795 2.225 1.00 1.06 H new ATOM 0 HG13 VAL A 49 13.097 -0.145 3.302 1.00 1.06 H new ATOM 0 HG21 VAL A 49 11.372 -2.676 3.390 1.00 0.95 H new ATOM 0 HG22 VAL A 49 12.131 -1.890 4.795 1.00 0.95 H new ATOM 0 HG23 VAL A 49 10.379 -2.202 4.788 1.00 0.95 H new ATOM 797 N TYR A 50 9.708 2.103 3.212 1.00 0.31 N ATOM 798 CA TYR A 50 9.527 3.429 2.560 1.00 0.34 C ATOM 799 C TYR A 50 9.404 4.533 3.611 1.00 0.30 C ATOM 800 O TYR A 50 10.170 5.476 3.623 1.00 0.30 O ATOM 801 CB TYR A 50 8.248 3.371 1.725 1.00 0.40 C ATOM 802 CG TYR A 50 7.661 4.750 1.558 1.00 1.14 C ATOM 803 CD1 TYR A 50 8.483 5.822 1.211 1.00 2.13 C ATOM 804 CD2 TYR A 50 6.285 4.950 1.727 1.00 1.88 C ATOM 805 CE1 TYR A 50 7.935 7.096 1.031 1.00 2.97 C ATOM 806 CE2 TYR A 50 5.738 6.227 1.553 1.00 2.70 C ATOM 807 CZ TYR A 50 6.563 7.300 1.203 1.00 3.06 C ATOM 808 OH TYR A 50 6.024 8.558 1.025 1.00 4.02 O ATOM 0 H TYR A 50 8.997 1.411 2.975 1.00 0.31 H new ATOM 0 HA TYR A 50 10.389 3.653 1.932 1.00 0.34 H new ATOM 0 HB2 TYR A 50 8.465 2.941 0.747 1.00 0.40 H new ATOM 0 HB3 TYR A 50 7.522 2.717 2.207 1.00 0.40 H new ATOM 0 HD1 TYR A 50 9.544 5.668 1.081 1.00 2.13 H new ATOM 0 HD2 TYR A 50 5.647 4.120 1.991 1.00 1.88 H new ATOM 0 HE1 TYR A 50 8.573 7.924 0.759 1.00 2.97 H new ATOM 0 HE2 TYR A 50 4.678 6.383 1.689 1.00 2.70 H new ATOM 0 HH TYR A 50 5.057 8.525 1.182 1.00 4.02 H new ATOM 818 N ASN A 51 8.453 4.425 4.493 1.00 0.30 N ATOM 819 CA ASN A 51 8.294 5.466 5.539 1.00 0.30 C ATOM 820 C ASN A 51 9.641 5.660 6.213 1.00 0.29 C ATOM 821 O ASN A 51 10.151 6.757 6.321 1.00 0.29 O ATOM 822 CB ASN A 51 7.265 4.998 6.567 1.00 0.32 C ATOM 823 CG ASN A 51 7.013 6.113 7.583 1.00 0.61 C ATOM 824 OD1 ASN A 51 5.990 6.769 7.542 1.00 1.34 O ATOM 825 ND2 ASN A 51 7.908 6.359 8.501 1.00 1.28 N ATOM 0 H ASN A 51 7.779 3.660 4.534 1.00 0.30 H new ATOM 0 HA ASN A 51 7.952 6.403 5.100 1.00 0.30 H new ATOM 0 HB2 ASN A 51 6.334 4.729 6.068 1.00 0.32 H new ATOM 0 HB3 ASN A 51 7.624 4.103 7.075 1.00 0.32 H new ATOM 0 HD21 ASN A 51 7.749 7.101 9.183 1.00 1.28 H new ATOM 0 HD22 ASN A 51 8.767 5.809 8.536 1.00 1.28 H new ATOM 832 N SER A 52 10.211 4.591 6.679 1.00 0.30 N ATOM 833 CA SER A 52 11.519 4.703 7.361 1.00 0.30 C ATOM 834 C SER A 52 12.539 5.304 6.392 1.00 0.29 C ATOM 835 O SER A 52 13.366 6.108 6.774 1.00 0.28 O ATOM 836 CB SER A 52 12.000 3.331 7.813 1.00 0.33 C ATOM 837 OG SER A 52 11.922 2.418 6.729 1.00 1.04 O ATOM 0 H SER A 52 9.828 3.648 6.617 1.00 0.30 H new ATOM 0 HA SER A 52 11.411 5.344 8.236 1.00 0.30 H new ATOM 0 HB2 SER A 52 13.026 3.395 8.174 1.00 0.33 H new ATOM 0 HB3 SER A 52 11.391 2.977 8.645 1.00 0.33 H new ATOM 0 HG SER A 52 11.005 2.081 6.650 1.00 1.04 H new ATOM 843 N LEU A 53 12.493 4.928 5.139 1.00 0.28 N ATOM 844 CA LEU A 53 13.457 5.481 4.152 1.00 0.28 C ATOM 845 C LEU A 53 13.046 6.907 3.801 1.00 0.26 C ATOM 846 O LEU A 53 13.853 7.733 3.431 1.00 0.26 O ATOM 847 CB LEU A 53 13.413 4.614 2.889 1.00 0.28 C ATOM 848 CG LEU A 53 14.302 5.209 1.796 1.00 0.29 C ATOM 849 CD1 LEU A 53 15.726 5.406 2.322 1.00 0.44 C ATOM 850 CD2 LEU A 53 14.331 4.250 0.608 1.00 0.40 C ATOM 0 H LEU A 53 11.824 4.258 4.760 1.00 0.28 H new ATOM 0 HA LEU A 53 14.465 5.484 4.567 1.00 0.28 H new ATOM 0 HB2 LEU A 53 13.744 3.603 3.124 1.00 0.28 H new ATOM 0 HB3 LEU A 53 12.387 4.538 2.529 1.00 0.28 H new ATOM 0 HG LEU A 53 13.902 6.176 1.491 1.00 0.29 H new ATOM 0 HD11 LEU A 53 16.349 5.830 1.535 1.00 0.44 H new ATOM 0 HD12 LEU A 53 15.708 6.084 3.175 1.00 0.44 H new ATOM 0 HD13 LEU A 53 16.136 4.444 2.631 1.00 0.44 H new ATOM 0 HD21 LEU A 53 14.962 4.664 -0.178 1.00 0.40 H new ATOM 0 HD22 LEU A 53 14.732 3.288 0.927 1.00 0.40 H new ATOM 0 HD23 LEU A 53 13.319 4.113 0.226 1.00 0.40 H new ATOM 862 N LYS A 54 11.803 7.229 3.961 1.00 0.26 N ATOM 863 CA LYS A 54 11.380 8.617 3.677 1.00 0.27 C ATOM 864 C LYS A 54 11.748 9.416 4.903 1.00 0.29 C ATOM 865 O LYS A 54 12.264 10.515 4.843 1.00 0.28 O ATOM 866 CB LYS A 54 9.867 8.652 3.469 1.00 0.30 C ATOM 867 CG LYS A 54 9.452 9.950 2.764 1.00 0.55 C ATOM 868 CD LYS A 54 9.140 11.038 3.792 1.00 0.27 C ATOM 869 CE LYS A 54 8.602 12.272 3.065 1.00 0.36 C ATOM 870 NZ LYS A 54 9.014 13.503 3.797 1.00 1.00 N ATOM 0 H LYS A 54 11.066 6.597 4.274 1.00 0.26 H new ATOM 0 HA LYS A 54 11.855 9.016 2.781 1.00 0.27 H new ATOM 0 HB2 LYS A 54 9.556 7.793 2.875 1.00 0.30 H new ATOM 0 HB3 LYS A 54 9.360 8.575 4.431 1.00 0.30 H new ATOM 0 HG2 LYS A 54 10.252 10.284 2.103 1.00 0.55 H new ATOM 0 HG3 LYS A 54 8.577 9.769 2.140 1.00 0.55 H new ATOM 0 HD2 LYS A 54 8.406 10.676 4.512 1.00 0.27 H new ATOM 0 HD3 LYS A 54 10.038 11.294 4.354 1.00 0.27 H new ATOM 0 HE2 LYS A 54 8.982 12.300 2.044 1.00 0.36 H new ATOM 0 HE3 LYS A 54 7.515 12.223 2.999 1.00 0.36 H new ATOM 0 HZ1 LYS A 54 8.172 13.974 4.185 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 9.656 13.246 4.574 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 9.502 14.148 3.144 1.00 1.00 H new ATOM 884 N ASP A 55 11.510 8.815 6.021 1.00 0.34 N ATOM 885 CA ASP A 55 11.852 9.434 7.313 1.00 0.38 C ATOM 886 C ASP A 55 13.351 9.726 7.309 1.00 0.40 C ATOM 887 O ASP A 55 13.881 10.350 8.206 1.00 0.47 O ATOM 888 CB ASP A 55 11.519 8.433 8.419 1.00 0.43 C ATOM 889 CG ASP A 55 11.939 8.999 9.774 1.00 0.85 C ATOM 890 OD1 ASP A 55 11.730 10.183 9.987 1.00 1.48 O ATOM 891 OD2 ASP A 55 12.458 8.243 10.576 1.00 1.58 O ATOM 0 H ASP A 55 11.080 7.893 6.094 1.00 0.34 H new ATOM 0 HA ASP A 55 11.297 10.358 7.476 1.00 0.38 H new ATOM 0 HB2 ASP A 55 10.450 8.220 8.419 1.00 0.43 H new ATOM 0 HB3 ASP A 55 12.032 7.489 8.234 1.00 0.43 H new ATOM 896 N ARG A 56 14.038 9.266 6.295 1.00 0.36 N ATOM 897 CA ARG A 56 15.503 9.499 6.213 1.00 0.40 C ATOM 898 C ARG A 56 15.782 10.960 5.901 1.00 0.40 C ATOM 899 O ARG A 56 16.631 11.590 6.503 1.00 0.43 O ATOM 900 CB ARG A 56 16.062 8.662 5.074 1.00 0.44 C ATOM 901 CG ARG A 56 17.503 8.272 5.371 1.00 0.81 C ATOM 902 CD ARG A 56 17.511 6.971 6.174 1.00 0.67 C ATOM 903 NE ARG A 56 18.898 6.692 6.639 1.00 1.00 N ATOM 904 CZ ARG A 56 19.103 5.931 7.679 1.00 1.24 C ATOM 905 NH1 ARG A 56 18.094 5.399 8.313 1.00 1.52 N ATOM 906 NH2 ARG A 56 20.323 5.701 8.084 1.00 1.69 N ATOM 0 H ARG A 56 13.641 8.737 5.519 1.00 0.36 H new ATOM 0 HA ARG A 56 15.963 9.231 7.164 1.00 0.40 H new ATOM 0 HB2 ARG A 56 15.455 7.767 4.938 1.00 0.44 H new ATOM 0 HB3 ARG A 56 16.014 9.224 4.141 1.00 0.44 H new ATOM 0 HG2 ARG A 56 18.058 8.144 4.441 1.00 0.81 H new ATOM 0 HG3 ARG A 56 17.999 9.064 5.932 1.00 0.81 H new ATOM 0 HD2 ARG A 56 16.838 7.052 7.027 1.00 0.67 H new ATOM 0 HD3 ARG A 56 17.148 6.148 5.559 1.00 0.67 H new ATOM 0 HE ARG A 56 19.691 7.098 6.142 1.00 1.00 H new ATOM 0 HH11 ARG A 56 17.141 5.577 7.996 1.00 1.52 H new ATOM 0 HH12 ARG A 56 18.258 4.805 9.126 1.00 1.52 H new ATOM 0 HH21 ARG A 56 21.112 6.116 7.588 1.00 1.69 H new ATOM 0 HH22 ARG A 56 20.487 5.107 8.897 1.00 1.69 H new ATOM 920 N LEU A 57 15.081 11.501 4.951 1.00 0.38 N ATOM 921 CA LEU A 57 15.313 12.917 4.580 1.00 0.42 C ATOM 922 C LEU A 57 14.049 13.498 3.961 1.00 0.39 C ATOM 923 O LEU A 57 13.871 14.698 3.922 1.00 0.41 O ATOM 924 CB LEU A 57 16.459 12.995 3.574 1.00 0.51 C ATOM 925 CG LEU A 57 17.653 13.695 4.218 1.00 1.11 C ATOM 926 CD1 LEU A 57 18.864 13.569 3.301 1.00 1.63 C ATOM 927 CD2 LEU A 57 17.326 15.175 4.427 1.00 1.66 C ATOM 0 H LEU A 57 14.357 11.023 4.415 1.00 0.38 H new ATOM 0 HA LEU A 57 15.571 13.489 5.471 1.00 0.42 H new ATOM 0 HB2 LEU A 57 16.742 11.993 3.250 1.00 0.51 H new ATOM 0 HB3 LEU A 57 16.141 13.539 2.685 1.00 0.51 H new ATOM 0 HG LEU A 57 17.872 13.233 5.181 1.00 1.11 H new ATOM 0 HD11 LEU A 57 19.719 14.068 3.757 1.00 1.63 H new ATOM 0 HD12 LEU A 57 19.097 12.515 3.149 1.00 1.63 H new ATOM 0 HD13 LEU A 57 18.643 14.034 2.340 1.00 1.63 H new ATOM 0 HD21 LEU A 57 18.179 15.675 4.887 1.00 1.66 H new ATOM 0 HD22 LEU A 57 17.109 15.639 3.465 1.00 1.66 H new ATOM 0 HD23 LEU A 57 16.457 15.267 5.078 1.00 1.66 H new ATOM 939 N GLY A 58 13.157 12.661 3.495 1.00 0.39 N ATOM 940 CA GLY A 58 11.896 13.172 2.893 1.00 0.38 C ATOM 941 C GLY A 58 12.198 13.966 1.623 1.00 0.33 C ATOM 942 O GLY A 58 11.597 13.756 0.588 1.00 0.31 O ATOM 0 H GLY A 58 13.251 11.645 3.507 1.00 0.39 H new ATOM 0 HA2 GLY A 58 11.233 12.339 2.660 1.00 0.38 H new ATOM 0 HA3 GLY A 58 11.373 13.805 3.610 1.00 0.38 H new ATOM 946 N ASP A 59 13.107 14.891 1.701 1.00 0.37 N ATOM 947 CA ASP A 59 13.433 15.721 0.510 1.00 0.38 C ATOM 948 C ASP A 59 14.249 14.906 -0.483 1.00 0.30 C ATOM 949 O ASP A 59 14.034 14.973 -1.674 1.00 0.32 O ATOM 950 CB ASP A 59 14.231 16.949 0.943 1.00 0.47 C ATOM 951 CG ASP A 59 13.623 18.202 0.309 1.00 0.57 C ATOM 952 OD1 ASP A 59 13.247 18.131 -0.850 1.00 1.38 O ATOM 953 OD2 ASP A 59 13.541 19.208 0.993 1.00 1.06 O ATOM 0 H ASP A 59 13.642 15.111 2.541 1.00 0.37 H new ATOM 0 HA ASP A 59 12.506 16.040 0.034 1.00 0.38 H new ATOM 0 HB2 ASP A 59 14.222 17.037 2.029 1.00 0.47 H new ATOM 0 HB3 ASP A 59 15.273 16.844 0.640 1.00 0.47 H new ATOM 958 N GLY A 60 15.183 14.142 -0.005 1.00 0.26 N ATOM 959 CA GLY A 60 16.015 13.333 -0.924 1.00 0.24 C ATOM 960 C GLY A 60 15.313 12.012 -1.206 1.00 0.23 C ATOM 961 O GLY A 60 15.944 11.032 -1.533 1.00 0.24 O ATOM 0 H GLY A 60 15.406 14.043 0.985 1.00 0.26 H new ATOM 0 HA2 GLY A 60 16.182 13.875 -1.855 1.00 0.24 H new ATOM 0 HA3 GLY A 60 16.994 13.151 -0.481 1.00 0.24 H new ATOM 965 N VAL A 61 14.013 11.965 -1.084 1.00 0.22 N ATOM 966 CA VAL A 61 13.271 10.705 -1.344 1.00 0.22 C ATOM 967 C VAL A 61 11.866 11.102 -1.809 1.00 0.22 C ATOM 968 O VAL A 61 11.149 11.786 -1.105 1.00 0.28 O ATOM 969 CB VAL A 61 13.165 9.896 -0.046 1.00 0.25 C ATOM 970 CG1 VAL A 61 11.980 8.932 -0.135 1.00 0.34 C ATOM 971 CG2 VAL A 61 14.453 9.099 0.178 1.00 0.38 C ATOM 0 H VAL A 61 13.431 12.757 -0.812 1.00 0.22 H new ATOM 0 HA VAL A 61 13.779 10.099 -2.094 1.00 0.22 H new ATOM 0 HB VAL A 61 13.015 10.581 0.788 1.00 0.25 H new ATOM 0 HG11 VAL A 61 11.907 8.358 0.789 1.00 0.34 H new ATOM 0 HG12 VAL A 61 11.061 9.498 -0.284 1.00 0.34 H new ATOM 0 HG13 VAL A 61 12.127 8.252 -0.974 1.00 0.34 H new ATOM 0 HG21 VAL A 61 14.371 8.527 1.102 1.00 0.38 H new ATOM 0 HG22 VAL A 61 14.609 8.418 -0.658 1.00 0.38 H new ATOM 0 HG23 VAL A 61 15.297 9.785 0.250 1.00 0.38 H new ATOM 981 N GLN A 62 11.491 10.722 -3.003 1.00 0.20 N ATOM 982 CA GLN A 62 10.157 11.125 -3.540 1.00 0.21 C ATOM 983 C GLN A 62 9.353 9.916 -4.014 1.00 0.22 C ATOM 984 O GLN A 62 9.880 8.861 -4.291 1.00 0.21 O ATOM 985 CB GLN A 62 10.380 12.036 -4.740 1.00 0.23 C ATOM 986 CG GLN A 62 10.120 13.484 -4.343 1.00 0.34 C ATOM 987 CD GLN A 62 8.613 13.726 -4.246 1.00 0.50 C ATOM 988 OE1 GLN A 62 8.133 14.266 -3.270 1.00 1.14 O ATOM 989 NE2 GLN A 62 7.840 13.346 -5.227 1.00 1.31 N ATOM 0 H GLN A 62 12.053 10.148 -3.631 1.00 0.20 H new ATOM 0 HA GLN A 62 9.604 11.624 -2.744 1.00 0.21 H new ATOM 0 HB2 GLN A 62 11.401 11.927 -5.106 1.00 0.23 H new ATOM 0 HB3 GLN A 62 9.716 11.748 -5.555 1.00 0.23 H new ATOM 0 HG2 GLN A 62 10.596 13.701 -3.387 1.00 0.34 H new ATOM 0 HG3 GLN A 62 10.560 14.158 -5.078 1.00 0.34 H new ATOM 0 HE21 GLN A 62 8.243 12.892 -6.047 1.00 1.31 H new ATOM 0 HE22 GLN A 62 6.834 13.503 -5.173 1.00 1.31 H new ATOM 998 N LEU A 63 8.064 10.091 -4.108 1.00 0.25 N ATOM 999 CA LEU A 63 7.153 9.007 -4.568 1.00 0.26 C ATOM 1000 C LEU A 63 6.917 9.162 -6.071 1.00 0.29 C ATOM 1001 O LEU A 63 6.349 10.144 -6.508 1.00 0.34 O ATOM 1002 CB LEU A 63 5.826 9.173 -3.813 1.00 0.29 C ATOM 1003 CG LEU A 63 4.847 8.040 -4.154 1.00 0.29 C ATOM 1004 CD1 LEU A 63 4.043 7.661 -2.903 1.00 0.49 C ATOM 1005 CD2 LEU A 63 3.863 8.496 -5.243 1.00 0.48 C ATOM 0 H LEU A 63 7.592 10.966 -3.878 1.00 0.25 H new ATOM 0 HA LEU A 63 7.580 8.022 -4.377 1.00 0.26 H new ATOM 0 HB2 LEU A 63 6.014 9.183 -2.739 1.00 0.29 H new ATOM 0 HB3 LEU A 63 5.378 10.133 -4.067 1.00 0.29 H new ATOM 0 HG LEU A 63 5.419 7.184 -4.511 1.00 0.29 H new ATOM 0 HD11 LEU A 63 3.349 6.857 -3.147 1.00 0.49 H new ATOM 0 HD12 LEU A 63 4.724 7.328 -2.120 1.00 0.49 H new ATOM 0 HD13 LEU A 63 3.484 8.529 -2.553 1.00 0.49 H new ATOM 0 HD21 LEU A 63 3.175 7.683 -5.475 1.00 0.48 H new ATOM 0 HD22 LEU A 63 3.299 9.358 -4.886 1.00 0.48 H new ATOM 0 HD23 LEU A 63 4.416 8.771 -6.141 1.00 0.48 H new ATOM 1017 N VAL A 64 7.327 8.205 -6.866 1.00 0.29 N ATOM 1018 CA VAL A 64 7.093 8.319 -8.340 1.00 0.33 C ATOM 1019 C VAL A 64 5.890 7.472 -8.730 1.00 0.32 C ATOM 1020 O VAL A 64 5.261 7.713 -9.740 1.00 0.37 O ATOM 1021 CB VAL A 64 8.294 7.838 -9.159 1.00 0.36 C ATOM 1022 CG1 VAL A 64 8.967 9.042 -9.823 1.00 1.12 C ATOM 1023 CG2 VAL A 64 9.293 7.082 -8.275 1.00 1.35 C ATOM 0 H VAL A 64 7.809 7.358 -6.563 1.00 0.29 H new ATOM 0 HA VAL A 64 6.925 9.374 -8.556 1.00 0.33 H new ATOM 0 HB VAL A 64 7.946 7.148 -9.928 1.00 0.36 H new ATOM 0 HG11 VAL A 64 9.823 8.704 -10.407 1.00 1.12 H new ATOM 0 HG12 VAL A 64 8.254 9.541 -10.479 1.00 1.12 H new ATOM 0 HG13 VAL A 64 9.304 9.739 -9.056 1.00 1.12 H new ATOM 0 HG21 VAL A 64 10.137 6.751 -8.881 1.00 1.35 H new ATOM 0 HG22 VAL A 64 9.651 7.741 -7.484 1.00 1.35 H new ATOM 0 HG23 VAL A 64 8.803 6.216 -7.831 1.00 1.35 H new ATOM 1033 N ASN A 65 5.548 6.482 -7.948 1.00 0.28 N ATOM 1034 CA ASN A 65 4.371 5.653 -8.317 1.00 0.29 C ATOM 1035 C ASN A 65 4.038 4.694 -7.177 1.00 0.26 C ATOM 1036 O ASN A 65 4.888 4.325 -6.395 1.00 0.24 O ATOM 1037 CB ASN A 65 4.704 4.859 -9.574 1.00 0.30 C ATOM 1038 CG ASN A 65 3.745 5.249 -10.699 1.00 0.38 C ATOM 1039 OD1 ASN A 65 2.594 4.860 -10.693 1.00 1.20 O ATOM 1040 ND2 ASN A 65 4.172 6.006 -11.672 1.00 0.98 N ATOM 0 H ASN A 65 6.025 6.217 -7.086 1.00 0.28 H new ATOM 0 HA ASN A 65 3.510 6.296 -8.502 1.00 0.29 H new ATOM 0 HB2 ASN A 65 5.733 5.053 -9.877 1.00 0.30 H new ATOM 0 HB3 ASN A 65 4.627 3.791 -9.372 1.00 0.30 H new ATOM 0 HD21 ASN A 65 3.540 6.271 -12.427 1.00 0.98 H new ATOM 0 HD22 ASN A 65 5.138 6.333 -11.678 1.00 0.98 H new ATOM 1047 N VAL A 66 2.802 4.287 -7.086 1.00 0.27 N ATOM 1048 CA VAL A 66 2.387 3.351 -6.006 1.00 0.25 C ATOM 1049 C VAL A 66 1.091 2.668 -6.432 1.00 0.26 C ATOM 1050 O VAL A 66 0.148 3.311 -6.847 1.00 0.29 O ATOM 1051 CB VAL A 66 2.127 4.121 -4.703 1.00 0.28 C ATOM 1052 CG1 VAL A 66 1.521 3.175 -3.664 1.00 0.85 C ATOM 1053 CG2 VAL A 66 3.435 4.690 -4.152 1.00 0.63 C ATOM 0 H VAL A 66 2.055 4.567 -7.721 1.00 0.27 H new ATOM 0 HA VAL A 66 3.179 2.621 -5.839 1.00 0.25 H new ATOM 0 HB VAL A 66 1.438 4.940 -4.912 1.00 0.28 H new ATOM 0 HG11 VAL A 66 1.336 3.721 -2.739 1.00 0.85 H new ATOM 0 HG12 VAL A 66 0.581 2.773 -4.042 1.00 0.85 H new ATOM 0 HG13 VAL A 66 2.214 2.356 -3.470 1.00 0.85 H new ATOM 0 HG21 VAL A 66 3.235 5.233 -3.228 1.00 0.63 H new ATOM 0 HG22 VAL A 66 4.130 3.875 -3.950 1.00 0.63 H new ATOM 0 HG23 VAL A 66 3.874 5.368 -4.884 1.00 0.63 H new ATOM 1063 N GLN A 67 1.042 1.372 -6.330 1.00 0.25 N ATOM 1064 CA GLN A 67 -0.192 0.647 -6.724 1.00 0.27 C ATOM 1065 C GLN A 67 -0.451 -0.498 -5.759 1.00 0.25 C ATOM 1066 O GLN A 67 0.411 -0.919 -5.014 1.00 0.25 O ATOM 1067 CB GLN A 67 -0.052 0.101 -8.150 1.00 0.28 C ATOM 1068 CG GLN A 67 -1.440 -0.221 -8.712 1.00 0.39 C ATOM 1069 CD GLN A 67 -1.312 -0.648 -10.175 1.00 0.60 C ATOM 1070 OE1 GLN A 67 -0.741 0.059 -10.979 1.00 1.07 O ATOM 1071 NE2 GLN A 67 -1.826 -1.787 -10.557 1.00 1.41 N ATOM 0 H GLN A 67 1.803 0.784 -5.991 1.00 0.25 H new ATOM 0 HA GLN A 67 -1.032 1.341 -6.691 1.00 0.27 H new ATOM 0 HB2 GLN A 67 0.448 0.833 -8.784 1.00 0.28 H new ATOM 0 HB3 GLN A 67 0.568 -0.795 -8.148 1.00 0.28 H new ATOM 0 HG2 GLN A 67 -1.904 -1.017 -8.129 1.00 0.39 H new ATOM 0 HG3 GLN A 67 -2.088 0.652 -8.632 1.00 0.39 H new ATOM 0 HE21 GLN A 67 -2.306 -2.382 -9.882 1.00 1.41 H new ATOM 0 HE22 GLN A 67 -1.747 -2.081 -11.530 1.00 1.41 H new ATOM 1080 N THR A 68 -1.656 -0.974 -5.764 1.00 0.26 N ATOM 1081 CA THR A 68 -2.041 -2.073 -4.848 1.00 0.27 C ATOM 1082 C THR A 68 -2.808 -3.120 -5.634 1.00 0.30 C ATOM 1083 O THR A 68 -3.522 -2.809 -6.564 1.00 0.43 O ATOM 1084 CB THR A 68 -2.958 -1.499 -3.762 1.00 0.35 C ATOM 1085 OG1 THR A 68 -3.566 -0.309 -4.246 1.00 0.52 O ATOM 1086 CG2 THR A 68 -2.149 -1.180 -2.515 1.00 0.46 C ATOM 0 H THR A 68 -2.404 -0.643 -6.374 1.00 0.26 H new ATOM 0 HA THR A 68 -1.155 -2.521 -4.399 1.00 0.27 H new ATOM 0 HB THR A 68 -3.724 -2.233 -3.512 1.00 0.35 H new ATOM 0 HG1 THR A 68 -4.482 -0.504 -4.534 1.00 0.52 H new ATOM 0 HG21 THR A 68 -2.808 -0.773 -1.748 1.00 0.46 H new ATOM 0 HG22 THR A 68 -1.679 -2.091 -2.143 1.00 0.46 H new ATOM 0 HG23 THR A 68 -1.379 -0.448 -2.758 1.00 0.46 H new ATOM 1094 N GLY A 69 -2.705 -4.357 -5.257 1.00 0.29 N ATOM 1095 CA GLY A 69 -3.477 -5.418 -5.971 1.00 0.38 C ATOM 1096 C GLY A 69 -3.325 -6.737 -5.200 1.00 0.31 C ATOM 1097 O GLY A 69 -2.385 -6.912 -4.462 1.00 0.40 O ATOM 0 H GLY A 69 -2.122 -4.686 -4.487 1.00 0.29 H new ATOM 0 HA2 GLY A 69 -4.528 -5.139 -6.040 1.00 0.38 H new ATOM 0 HA3 GLY A 69 -3.110 -5.531 -6.991 1.00 0.38 H new ATOM 1101 N SER A 70 -4.260 -7.644 -5.334 1.00 0.42 N ATOM 1102 CA SER A 70 -4.171 -8.950 -4.605 1.00 0.34 C ATOM 1103 C SER A 70 -3.663 -10.046 -5.555 1.00 0.32 C ATOM 1104 O SER A 70 -3.814 -9.947 -6.756 1.00 0.33 O ATOM 1105 CB SER A 70 -5.549 -9.332 -4.065 1.00 0.32 C ATOM 1106 OG SER A 70 -6.406 -9.661 -5.151 1.00 0.34 O ATOM 0 H SER A 70 -5.087 -7.536 -5.921 1.00 0.42 H new ATOM 0 HA SER A 70 -3.473 -8.849 -3.774 1.00 0.34 H new ATOM 0 HB2 SER A 70 -5.463 -10.180 -3.385 1.00 0.32 H new ATOM 0 HB3 SER A 70 -5.970 -8.505 -3.493 1.00 0.32 H new ATOM 0 HG SER A 70 -7.290 -9.907 -4.807 1.00 0.34 H new ATOM 1112 N GLU A 71 -3.088 -11.107 -5.027 1.00 0.33 N ATOM 1113 CA GLU A 71 -2.589 -12.206 -5.914 1.00 0.35 C ATOM 1114 C GLU A 71 -2.796 -13.560 -5.245 1.00 0.35 C ATOM 1115 O GLU A 71 -2.977 -13.656 -4.048 1.00 0.33 O ATOM 1116 CB GLU A 71 -1.094 -12.025 -6.198 1.00 0.45 C ATOM 1117 CG GLU A 71 -0.289 -12.042 -4.894 1.00 0.54 C ATOM 1118 CD GLU A 71 0.307 -13.431 -4.673 1.00 0.59 C ATOM 1119 OE1 GLU A 71 -0.333 -14.396 -5.047 1.00 1.12 O ATOM 1120 OE2 GLU A 71 1.400 -13.505 -4.137 1.00 1.29 O ATOM 0 H GLU A 71 -2.945 -11.256 -4.028 1.00 0.33 H new ATOM 0 HA GLU A 71 -3.149 -12.166 -6.848 1.00 0.35 H new ATOM 0 HB2 GLU A 71 -0.745 -12.820 -6.857 1.00 0.45 H new ATOM 0 HB3 GLU A 71 -0.929 -11.083 -6.721 1.00 0.45 H new ATOM 0 HG2 GLU A 71 0.506 -11.298 -4.937 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -0.932 -11.774 -4.055 1.00 0.54 H new ATOM 1127 N VAL A 72 -2.787 -14.610 -6.023 1.00 0.43 N ATOM 1128 CA VAL A 72 -3.003 -15.961 -5.443 1.00 0.51 C ATOM 1129 C VAL A 72 -1.675 -16.624 -5.081 1.00 0.58 C ATOM 1130 O VAL A 72 -1.067 -17.295 -5.891 1.00 0.93 O ATOM 1131 CB VAL A 72 -3.736 -16.832 -6.464 1.00 0.64 C ATOM 1132 CG1 VAL A 72 -4.408 -18.004 -5.751 1.00 0.49 C ATOM 1133 CG2 VAL A 72 -4.797 -15.992 -7.181 1.00 1.02 C ATOM 0 H VAL A 72 -2.640 -14.587 -7.032 1.00 0.43 H new ATOM 0 HA VAL A 72 -3.596 -15.856 -4.534 1.00 0.51 H new ATOM 0 HB VAL A 72 -3.022 -17.216 -7.192 1.00 0.64 H new ATOM 0 HG11 VAL A 72 -4.930 -18.623 -6.481 1.00 0.49 H new ATOM 0 HG12 VAL A 72 -3.652 -18.602 -5.242 1.00 0.49 H new ATOM 0 HG13 VAL A 72 -5.122 -17.624 -5.021 1.00 0.49 H new ATOM 0 HG21 VAL A 72 -5.320 -16.611 -7.909 1.00 1.02 H new ATOM 0 HG22 VAL A 72 -5.510 -15.608 -6.452 1.00 1.02 H new ATOM 0 HG23 VAL A 72 -4.316 -15.158 -7.693 1.00 1.02 H new ATOM 1143 N ARG A 73 -1.212 -16.443 -3.871 1.00 0.44 N ATOM 1144 CA ARG A 73 0.081 -17.060 -3.462 1.00 0.48 C ATOM 1145 C ARG A 73 -0.172 -18.386 -2.737 1.00 0.54 C ATOM 1146 O ARG A 73 -0.621 -18.405 -1.610 1.00 0.55 O ATOM 1147 CB ARG A 73 0.810 -16.099 -2.521 1.00 0.43 C ATOM 1148 CG ARG A 73 2.315 -16.134 -2.785 1.00 0.53 C ATOM 1149 CD ARG A 73 2.996 -15.083 -1.910 1.00 0.62 C ATOM 1150 NE ARG A 73 4.433 -15.432 -1.740 1.00 0.89 N ATOM 1151 CZ ARG A 73 5.276 -15.209 -2.710 1.00 1.42 C ATOM 1152 NH1 ARG A 73 4.857 -14.686 -3.830 1.00 2.23 N ATOM 1153 NH2 ARG A 73 6.537 -15.510 -2.561 1.00 1.70 N ATOM 0 H ARG A 73 -1.676 -15.893 -3.148 1.00 0.44 H new ATOM 0 HA ARG A 73 0.687 -17.253 -4.348 1.00 0.48 H new ATOM 0 HB2 ARG A 73 0.433 -15.086 -2.662 1.00 0.43 H new ATOM 0 HB3 ARG A 73 0.610 -16.372 -1.485 1.00 0.43 H new ATOM 0 HG2 ARG A 73 2.713 -17.124 -2.564 1.00 0.53 H new ATOM 0 HG3 ARG A 73 2.518 -15.937 -3.838 1.00 0.53 H new ATOM 0 HD2 ARG A 73 2.902 -14.098 -2.367 1.00 0.62 H new ATOM 0 HD3 ARG A 73 2.506 -15.031 -0.938 1.00 0.62 H new ATOM 0 HE ARG A 73 4.758 -15.845 -0.866 1.00 0.89 H new ATOM 0 HH11 ARG A 73 3.871 -14.452 -3.946 1.00 2.23 H new ATOM 0 HH12 ARG A 73 5.516 -14.511 -4.589 1.00 2.23 H new ATOM 0 HH21 ARG A 73 6.864 -15.920 -1.686 1.00 1.70 H new ATOM 0 HH22 ARG A 73 7.196 -15.336 -3.320 1.00 1.70 H new ATOM 1167 N ASP A 74 0.131 -19.485 -3.382 1.00 0.60 N ATOM 1168 CA ASP A 74 -0.055 -20.834 -2.762 1.00 0.68 C ATOM 1169 C ASP A 74 -1.496 -21.305 -2.943 1.00 0.68 C ATOM 1170 O ASP A 74 -2.066 -21.933 -2.072 1.00 0.69 O ATOM 1171 CB ASP A 74 0.287 -20.785 -1.271 1.00 0.68 C ATOM 1172 CG ASP A 74 0.819 -22.148 -0.822 1.00 0.79 C ATOM 1173 OD1 ASP A 74 0.191 -23.142 -1.145 1.00 1.38 O ATOM 1174 OD2 ASP A 74 1.846 -22.173 -0.165 1.00 1.27 O ATOM 0 H ASP A 74 0.507 -19.504 -4.330 1.00 0.60 H new ATOM 0 HA ASP A 74 0.615 -21.536 -3.258 1.00 0.68 H new ATOM 0 HB2 ASP A 74 1.033 -20.012 -1.084 1.00 0.68 H new ATOM 0 HB3 ASP A 74 -0.598 -20.520 -0.693 1.00 0.68 H new ATOM 1179 N ARG A 75 -2.096 -20.995 -4.062 1.00 0.67 N ATOM 1180 CA ARG A 75 -3.510 -21.414 -4.306 1.00 0.69 C ATOM 1181 C ARG A 75 -4.407 -20.750 -3.263 1.00 0.59 C ATOM 1182 O ARG A 75 -5.443 -21.264 -2.888 1.00 0.64 O ATOM 1183 CB ARG A 75 -3.638 -22.947 -4.229 1.00 0.79 C ATOM 1184 CG ARG A 75 -3.791 -23.529 -5.637 1.00 0.87 C ATOM 1185 CD ARG A 75 -2.513 -23.278 -6.440 1.00 0.85 C ATOM 1186 NE ARG A 75 -2.862 -22.651 -7.746 1.00 1.25 N ATOM 1187 CZ ARG A 75 -3.649 -23.276 -8.579 1.00 1.89 C ATOM 1188 NH1 ARG A 75 -4.125 -24.452 -8.270 1.00 2.62 N ATOM 1189 NH2 ARG A 75 -3.958 -22.726 -9.721 1.00 2.29 N ATOM 0 H ARG A 75 -1.666 -20.467 -4.822 1.00 0.67 H new ATOM 0 HA ARG A 75 -3.817 -21.102 -5.304 1.00 0.69 H new ATOM 0 HB2 ARG A 75 -2.758 -23.370 -3.745 1.00 0.79 H new ATOM 0 HB3 ARG A 75 -4.499 -23.218 -3.618 1.00 0.79 H new ATOM 0 HG2 ARG A 75 -3.991 -24.599 -5.579 1.00 0.87 H new ATOM 0 HG3 ARG A 75 -4.643 -23.072 -6.139 1.00 0.87 H new ATOM 0 HD2 ARG A 75 -1.841 -22.628 -5.880 1.00 0.85 H new ATOM 0 HD3 ARG A 75 -1.984 -24.217 -6.605 1.00 0.85 H new ATOM 0 HE ARG A 75 -2.486 -21.734 -7.989 1.00 1.25 H new ATOM 0 HH11 ARG A 75 -3.882 -24.882 -7.378 1.00 2.62 H new ATOM 0 HH12 ARG A 75 -4.740 -24.940 -8.921 1.00 2.62 H new ATOM 0 HH21 ARG A 75 -3.585 -21.808 -9.963 1.00 2.29 H new ATOM 0 HH22 ARG A 75 -4.573 -23.214 -10.372 1.00 2.29 H new ATOM 1203 N ARG A 76 -4.019 -19.595 -2.806 1.00 0.46 N ATOM 1204 CA ARG A 76 -4.835 -18.871 -1.799 1.00 0.38 C ATOM 1205 C ARG A 76 -4.713 -17.376 -2.079 1.00 0.34 C ATOM 1206 O ARG A 76 -3.681 -16.906 -2.510 1.00 0.34 O ATOM 1207 CB ARG A 76 -4.299 -19.152 -0.389 1.00 0.37 C ATOM 1208 CG ARG A 76 -4.883 -20.454 0.178 1.00 0.63 C ATOM 1209 CD ARG A 76 -5.791 -20.124 1.364 1.00 1.28 C ATOM 1210 NE ARG A 76 -6.475 -21.366 1.829 1.00 1.50 N ATOM 1211 CZ ARG A 76 -5.887 -22.160 2.686 1.00 2.36 C ATOM 1212 NH1 ARG A 76 -4.693 -21.880 3.131 1.00 3.15 N ATOM 1213 NH2 ARG A 76 -6.497 -23.239 3.094 1.00 2.82 N ATOM 0 H ARG A 76 -3.163 -19.118 -3.090 1.00 0.46 H new ATOM 0 HA ARG A 76 -5.873 -19.199 -1.860 1.00 0.38 H new ATOM 0 HB2 ARG A 76 -3.212 -19.220 -0.417 1.00 0.37 H new ATOM 0 HB3 ARG A 76 -4.549 -18.321 0.270 1.00 0.37 H new ATOM 0 HG2 ARG A 76 -5.448 -20.979 -0.592 1.00 0.63 H new ATOM 0 HG3 ARG A 76 -4.080 -21.120 0.494 1.00 0.63 H new ATOM 0 HD2 ARG A 76 -5.205 -19.694 2.176 1.00 1.28 H new ATOM 0 HD3 ARG A 76 -6.529 -19.377 1.073 1.00 1.28 H new ATOM 0 HE ARG A 76 -7.404 -21.597 1.477 1.00 1.50 H new ATOM 0 HH11 ARG A 76 -4.214 -21.039 2.811 1.00 3.15 H new ATOM 0 HH12 ARG A 76 -4.239 -22.503 3.799 1.00 3.15 H new ATOM 0 HH21 ARG A 76 -7.429 -23.461 2.745 1.00 2.82 H new ATOM 0 HH22 ARG A 76 -6.042 -23.861 3.762 1.00 2.82 H new ATOM 1227 N ARG A 77 -5.762 -16.634 -1.880 1.00 0.32 N ATOM 1228 CA ARG A 77 -5.687 -15.181 -2.200 1.00 0.31 C ATOM 1229 C ARG A 77 -5.091 -14.409 -1.051 1.00 0.27 C ATOM 1230 O ARG A 77 -5.383 -14.624 0.109 1.00 0.29 O ATOM 1231 CB ARG A 77 -7.075 -14.620 -2.513 1.00 0.34 C ATOM 1232 CG ARG A 77 -6.937 -13.173 -3.006 1.00 0.58 C ATOM 1233 CD ARG A 77 -7.484 -13.057 -4.426 1.00 0.47 C ATOM 1234 NE ARG A 77 -8.865 -13.616 -4.479 1.00 1.21 N ATOM 1235 CZ ARG A 77 -9.885 -12.883 -4.121 1.00 1.57 C ATOM 1236 NH1 ARG A 77 -9.699 -11.657 -3.712 1.00 1.85 N ATOM 1237 NH2 ARG A 77 -11.092 -13.377 -4.171 1.00 2.44 N ATOM 0 H ARG A 77 -6.657 -16.962 -1.515 1.00 0.32 H new ATOM 0 HA ARG A 77 -5.049 -15.072 -3.077 1.00 0.31 H new ATOM 0 HB2 ARG A 77 -7.564 -15.230 -3.272 1.00 0.34 H new ATOM 0 HB3 ARG A 77 -7.703 -14.655 -1.623 1.00 0.34 H new ATOM 0 HG2 ARG A 77 -7.478 -12.499 -2.342 1.00 0.58 H new ATOM 0 HG3 ARG A 77 -5.890 -12.870 -2.984 1.00 0.58 H new ATOM 0 HD2 ARG A 77 -7.492 -12.013 -4.739 1.00 0.47 H new ATOM 0 HD3 ARG A 77 -6.837 -13.593 -5.120 1.00 0.47 H new ATOM 0 HE ARG A 77 -9.014 -14.574 -4.796 1.00 1.21 H new ATOM 0 HH11 ARG A 77 -8.756 -11.270 -3.672 1.00 1.85 H new ATOM 0 HH12 ARG A 77 -10.497 -11.086 -3.433 1.00 1.85 H new ATOM 0 HH21 ARG A 77 -11.238 -14.335 -4.489 1.00 2.44 H new ATOM 0 HH22 ARG A 77 -11.889 -12.805 -3.892 1.00 2.44 H new ATOM 1251 N ILE A 78 -4.218 -13.520 -1.402 1.00 0.23 N ATOM 1252 CA ILE A 78 -3.517 -12.703 -0.408 1.00 0.20 C ATOM 1253 C ILE A 78 -3.324 -11.307 -0.991 1.00 0.19 C ATOM 1254 O ILE A 78 -3.364 -11.114 -2.189 1.00 0.21 O ATOM 1255 CB ILE A 78 -2.176 -13.357 -0.130 1.00 0.20 C ATOM 1256 CG1 ILE A 78 -1.369 -12.462 0.766 1.00 0.21 C ATOM 1257 CG2 ILE A 78 -1.413 -13.597 -1.433 1.00 0.23 C ATOM 1258 CD1 ILE A 78 -0.212 -13.263 1.360 1.00 0.23 C ATOM 0 H ILE A 78 -3.958 -13.325 -2.369 1.00 0.23 H new ATOM 0 HA ILE A 78 -4.080 -12.625 0.522 1.00 0.20 H new ATOM 0 HB ILE A 78 -2.345 -14.318 0.355 1.00 0.20 H new ATOM 0 HG12 ILE A 78 -0.987 -11.611 0.202 1.00 0.21 H new ATOM 0 HG13 ILE A 78 -1.997 -12.061 1.562 1.00 0.21 H new ATOM 0 HG21 ILE A 78 -0.454 -14.066 -1.212 1.00 0.23 H new ATOM 0 HG22 ILE A 78 -1.996 -14.251 -2.081 1.00 0.23 H new ATOM 0 HG23 ILE A 78 -1.243 -12.645 -1.936 1.00 0.23 H new ATOM 0 HD11 ILE A 78 0.379 -12.620 2.012 1.00 0.23 H new ATOM 0 HD12 ILE A 78 -0.607 -14.100 1.936 1.00 0.23 H new ATOM 0 HD13 ILE A 78 0.419 -13.642 0.556 1.00 0.23 H new ATOM 1270 N SER A 79 -3.179 -10.334 -0.160 1.00 0.20 N ATOM 1271 CA SER A 79 -3.057 -8.947 -0.663 1.00 0.22 C ATOM 1272 C SER A 79 -1.598 -8.570 -0.912 1.00 0.19 C ATOM 1273 O SER A 79 -0.688 -9.087 -0.295 1.00 0.22 O ATOM 1274 CB SER A 79 -3.641 -8.004 0.378 1.00 0.28 C ATOM 1275 OG SER A 79 -2.657 -7.714 1.358 1.00 0.74 O ATOM 0 H SER A 79 -3.139 -10.434 0.854 1.00 0.20 H new ATOM 0 HA SER A 79 -3.594 -8.870 -1.608 1.00 0.22 H new ATOM 0 HB2 SER A 79 -3.978 -7.083 -0.098 1.00 0.28 H new ATOM 0 HB3 SER A 79 -4.514 -8.458 0.847 1.00 0.28 H new ATOM 0 HG SER A 79 -2.260 -8.550 1.681 1.00 0.74 H new ATOM 1281 N TYR A 80 -1.388 -7.635 -1.802 1.00 0.19 N ATOM 1282 CA TYR A 80 0.000 -7.175 -2.085 1.00 0.25 C ATOM 1283 C TYR A 80 -0.001 -5.682 -2.355 1.00 0.22 C ATOM 1284 O TYR A 80 -0.970 -5.116 -2.823 1.00 0.21 O ATOM 1285 CB TYR A 80 0.650 -7.972 -3.247 1.00 0.40 C ATOM 1286 CG TYR A 80 0.074 -7.623 -4.610 1.00 0.93 C ATOM 1287 CD1 TYR A 80 0.332 -6.377 -5.206 1.00 1.68 C ATOM 1288 CD2 TYR A 80 -0.697 -8.570 -5.300 1.00 1.82 C ATOM 1289 CE1 TYR A 80 -0.192 -6.087 -6.473 1.00 2.66 C ATOM 1290 CE2 TYR A 80 -1.211 -8.268 -6.567 1.00 2.78 C ATOM 1291 CZ TYR A 80 -0.963 -7.029 -7.147 1.00 3.08 C ATOM 1292 OH TYR A 80 -1.471 -6.737 -8.397 1.00 4.16 O ATOM 0 H TYR A 80 -2.118 -7.172 -2.343 1.00 0.19 H new ATOM 0 HA TYR A 80 0.614 -7.368 -1.205 1.00 0.25 H new ATOM 0 HB2 TYR A 80 1.723 -7.781 -3.254 1.00 0.40 H new ATOM 0 HB3 TYR A 80 0.517 -9.039 -3.066 1.00 0.40 H new ATOM 0 HD1 TYR A 80 0.933 -5.644 -4.689 1.00 1.68 H new ATOM 0 HD2 TYR A 80 -0.894 -9.533 -4.853 1.00 1.82 H new ATOM 0 HE1 TYR A 80 0.004 -5.128 -6.929 1.00 2.66 H new ATOM 0 HE2 TYR A 80 -1.803 -9.001 -7.096 1.00 2.78 H new ATOM 0 HH TYR A 80 -1.985 -7.503 -8.728 1.00 4.16 H new ATOM 1302 N ILE A 81 1.094 -5.046 -2.042 1.00 0.25 N ATOM 1303 CA ILE A 81 1.214 -3.580 -2.244 1.00 0.27 C ATOM 1304 C ILE A 81 2.427 -3.283 -3.106 1.00 0.25 C ATOM 1305 O ILE A 81 3.510 -3.800 -2.889 1.00 0.26 O ATOM 1306 CB ILE A 81 1.403 -2.884 -0.895 1.00 0.34 C ATOM 1307 CG1 ILE A 81 1.303 -1.369 -1.078 1.00 0.76 C ATOM 1308 CG2 ILE A 81 2.790 -3.225 -0.344 1.00 0.92 C ATOM 1309 CD1 ILE A 81 1.656 -0.675 0.237 1.00 0.69 C ATOM 0 H ILE A 81 1.923 -5.491 -1.648 1.00 0.25 H new ATOM 0 HA ILE A 81 0.307 -3.218 -2.728 1.00 0.27 H new ATOM 0 HB ILE A 81 0.631 -3.221 -0.204 1.00 0.34 H new ATOM 0 HG12 ILE A 81 1.979 -1.042 -1.868 1.00 0.76 H new ATOM 0 HG13 ILE A 81 0.295 -1.095 -1.388 1.00 0.76 H new ATOM 0 HG21 ILE A 81 2.931 -2.732 0.618 1.00 0.92 H new ATOM 0 HG22 ILE A 81 2.875 -4.304 -0.214 1.00 0.92 H new ATOM 0 HG23 ILE A 81 3.553 -2.883 -1.043 1.00 0.92 H new ATOM 0 HD11 ILE A 81 1.585 0.405 0.109 1.00 0.69 H new ATOM 0 HD12 ILE A 81 0.962 -0.994 1.015 1.00 0.69 H new ATOM 0 HD13 ILE A 81 2.673 -0.940 0.527 1.00 0.69 H new ATOM 1321 N LEU A 82 2.243 -2.444 -4.072 1.00 0.25 N ATOM 1322 CA LEU A 82 3.352 -2.062 -4.974 1.00 0.25 C ATOM 1323 C LEU A 82 3.753 -0.625 -4.634 1.00 0.25 C ATOM 1324 O LEU A 82 2.904 0.240 -4.544 1.00 0.29 O ATOM 1325 CB LEU A 82 2.831 -2.134 -6.402 1.00 0.29 C ATOM 1326 CG LEU A 82 2.122 -3.469 -6.615 1.00 0.32 C ATOM 1327 CD1 LEU A 82 1.693 -3.597 -8.083 1.00 0.36 C ATOM 1328 CD2 LEU A 82 3.070 -4.619 -6.255 1.00 0.32 C ATOM 0 H LEU A 82 1.351 -1.996 -4.281 1.00 0.25 H new ATOM 0 HA LEU A 82 4.214 -2.720 -4.863 1.00 0.25 H new ATOM 0 HB2 LEU A 82 2.143 -1.310 -6.592 1.00 0.29 H new ATOM 0 HB3 LEU A 82 3.655 -2.031 -7.108 1.00 0.29 H new ATOM 0 HG LEU A 82 1.240 -3.514 -5.976 1.00 0.32 H new ATOM 0 HD11 LEU A 82 1.187 -4.551 -8.232 1.00 0.36 H new ATOM 0 HD12 LEU A 82 1.014 -2.783 -8.336 1.00 0.36 H new ATOM 0 HD13 LEU A 82 2.573 -3.548 -8.725 1.00 0.36 H new ATOM 0 HD21 LEU A 82 2.562 -5.571 -6.408 1.00 0.32 H new ATOM 0 HD22 LEU A 82 3.955 -4.574 -6.890 1.00 0.32 H new ATOM 0 HD23 LEU A 82 3.369 -4.531 -5.210 1.00 0.32 H new ATOM 1340 N LEU A 83 5.020 -0.357 -4.402 1.00 0.22 N ATOM 1341 CA LEU A 83 5.416 1.032 -4.022 1.00 0.23 C ATOM 1342 C LEU A 83 6.686 1.473 -4.752 1.00 0.21 C ATOM 1343 O LEU A 83 7.703 0.809 -4.729 1.00 0.20 O ATOM 1344 CB LEU A 83 5.672 1.082 -2.517 1.00 0.23 C ATOM 1345 CG LEU A 83 6.174 2.472 -2.119 1.00 0.52 C ATOM 1346 CD1 LEU A 83 5.436 2.953 -0.867 1.00 0.52 C ATOM 1347 CD2 LEU A 83 7.668 2.393 -1.826 1.00 0.98 C ATOM 0 H LEU A 83 5.783 -1.031 -4.459 1.00 0.22 H new ATOM 0 HA LEU A 83 4.606 1.705 -4.302 1.00 0.23 H new ATOM 0 HB2 LEU A 83 4.755 0.848 -1.976 1.00 0.23 H new ATOM 0 HB3 LEU A 83 6.408 0.327 -2.239 1.00 0.23 H new ATOM 0 HG LEU A 83 5.990 3.173 -2.933 1.00 0.52 H new ATOM 0 HD11 LEU A 83 5.798 3.943 -0.589 1.00 0.52 H new ATOM 0 HD12 LEU A 83 4.366 3.002 -1.071 1.00 0.52 H new ATOM 0 HD13 LEU A 83 5.617 2.257 -0.048 1.00 0.52 H new ATOM 0 HD21 LEU A 83 8.036 3.379 -1.541 1.00 0.98 H new ATOM 0 HD22 LEU A 83 7.842 1.691 -1.010 1.00 0.98 H new ATOM 0 HD23 LEU A 83 8.196 2.052 -2.717 1.00 0.98 H new ATOM 1359 N ARG A 84 6.606 2.610 -5.391 1.00 0.22 N ATOM 1360 CA ARG A 84 7.773 3.152 -6.135 1.00 0.21 C ATOM 1361 C ARG A 84 8.407 4.312 -5.358 1.00 0.21 C ATOM 1362 O ARG A 84 7.828 4.839 -4.430 1.00 0.23 O ATOM 1363 CB ARG A 84 7.329 3.611 -7.522 1.00 0.23 C ATOM 1364 CG ARG A 84 8.379 3.157 -8.535 1.00 0.25 C ATOM 1365 CD ARG A 84 8.131 3.807 -9.896 1.00 0.31 C ATOM 1366 NE ARG A 84 9.283 3.525 -10.798 1.00 0.40 N ATOM 1367 CZ ARG A 84 9.186 3.775 -12.075 1.00 0.48 C ATOM 1368 NH1 ARG A 84 8.083 4.281 -12.558 1.00 0.49 N ATOM 1369 NH2 ARG A 84 10.190 3.523 -12.869 1.00 0.58 N ATOM 0 H ARG A 84 5.769 3.191 -5.427 1.00 0.22 H new ATOM 0 HA ARG A 84 8.523 2.369 -6.247 1.00 0.21 H new ATOM 0 HB2 ARG A 84 6.355 3.188 -7.769 1.00 0.23 H new ATOM 0 HB3 ARG A 84 7.221 4.695 -7.547 1.00 0.23 H new ATOM 0 HG2 ARG A 84 9.375 3.419 -8.177 1.00 0.25 H new ATOM 0 HG3 ARG A 84 8.351 2.072 -8.634 1.00 0.25 H new ATOM 0 HD2 ARG A 84 7.210 3.421 -10.333 1.00 0.31 H new ATOM 0 HD3 ARG A 84 8.002 4.883 -9.779 1.00 0.31 H new ATOM 0 HE ARG A 84 10.146 3.137 -10.418 1.00 0.40 H new ATOM 0 HH11 ARG A 84 7.299 4.480 -11.937 1.00 0.49 H new ATOM 0 HH12 ARG A 84 8.006 4.477 -13.556 1.00 0.49 H new ATOM 0 HH21 ARG A 84 11.052 3.130 -12.492 1.00 0.58 H new ATOM 0 HH22 ARG A 84 10.113 3.719 -13.867 1.00 0.58 H new ATOM 1383 N LEU A 85 9.594 4.713 -5.739 1.00 0.20 N ATOM 1384 CA LEU A 85 10.259 5.850 -5.012 1.00 0.21 C ATOM 1385 C LEU A 85 11.317 6.519 -5.875 1.00 0.21 C ATOM 1386 O LEU A 85 12.098 5.863 -6.508 1.00 0.22 O ATOM 1387 CB LEU A 85 10.959 5.334 -3.760 1.00 0.23 C ATOM 1388 CG LEU A 85 10.801 6.339 -2.617 1.00 0.53 C ATOM 1389 CD1 LEU A 85 9.348 6.401 -2.148 1.00 1.39 C ATOM 1390 CD2 LEU A 85 11.689 5.905 -1.450 1.00 0.94 C ATOM 0 H LEU A 85 10.129 4.313 -6.510 1.00 0.20 H new ATOM 0 HA LEU A 85 9.478 6.567 -4.760 1.00 0.21 H new ATOM 0 HB2 LEU A 85 10.538 4.372 -3.469 1.00 0.23 H new ATOM 0 HB3 LEU A 85 12.017 5.170 -3.967 1.00 0.23 H new ATOM 0 HG LEU A 85 11.094 7.327 -2.972 1.00 0.53 H new ATOM 0 HD11 LEU A 85 9.259 7.122 -1.335 1.00 1.39 H new ATOM 0 HD12 LEU A 85 8.711 6.708 -2.977 1.00 1.39 H new ATOM 0 HD13 LEU A 85 9.037 5.417 -1.797 1.00 1.39 H new ATOM 0 HD21 LEU A 85 11.584 6.615 -0.629 1.00 0.94 H new ATOM 0 HD22 LEU A 85 11.388 4.913 -1.113 1.00 0.94 H new ATOM 0 HD23 LEU A 85 12.729 5.877 -1.775 1.00 0.94 H new ATOM 1402 N LYS A 86 11.355 7.826 -5.863 1.00 0.22 N ATOM 1403 CA LYS A 86 12.382 8.574 -6.659 1.00 0.24 C ATOM 1404 C LYS A 86 13.286 9.372 -5.716 1.00 0.23 C ATOM 1405 O LYS A 86 12.824 9.998 -4.793 1.00 0.28 O ATOM 1406 CB LYS A 86 11.680 9.542 -7.601 1.00 0.27 C ATOM 1407 CG LYS A 86 12.711 10.339 -8.408 1.00 0.38 C ATOM 1408 CD LYS A 86 12.856 11.755 -7.836 1.00 0.72 C ATOM 1409 CE LYS A 86 13.692 12.608 -8.794 1.00 0.72 C ATOM 1410 NZ LYS A 86 12.839 13.685 -9.373 1.00 1.42 N ATOM 0 H LYS A 86 10.714 8.415 -5.332 1.00 0.22 H new ATOM 0 HA LYS A 86 12.981 7.864 -7.229 1.00 0.24 H new ATOM 0 HB2 LYS A 86 11.025 8.992 -8.277 1.00 0.27 H new ATOM 0 HB3 LYS A 86 11.049 10.223 -7.030 1.00 0.27 H new ATOM 0 HG2 LYS A 86 13.674 9.829 -8.384 1.00 0.38 H new ATOM 0 HG3 LYS A 86 12.404 10.391 -9.453 1.00 0.38 H new ATOM 0 HD2 LYS A 86 11.873 12.204 -7.695 1.00 0.72 H new ATOM 0 HD3 LYS A 86 13.332 11.716 -6.856 1.00 0.72 H new ATOM 0 HE2 LYS A 86 14.539 13.045 -8.264 1.00 0.72 H new ATOM 0 HE3 LYS A 86 14.101 11.986 -9.590 1.00 0.72 H new ATOM 0 HZ1 LYS A 86 13.406 14.265 -10.024 1.00 1.42 H new ATOM 0 HZ2 LYS A 86 12.045 13.258 -9.892 1.00 1.42 H new ATOM 0 HZ3 LYS A 86 12.470 14.285 -8.608 1.00 1.42 H new ATOM 1424 N ARG A 87 14.567 9.365 -5.953 1.00 0.24 N ATOM 1425 CA ARG A 87 15.486 10.143 -5.064 1.00 0.24 C ATOM 1426 C ARG A 87 15.733 11.522 -5.661 1.00 0.26 C ATOM 1427 O ARG A 87 15.818 11.688 -6.862 1.00 0.28 O ATOM 1428 CB ARG A 87 16.821 9.416 -4.909 1.00 0.27 C ATOM 1429 CG ARG A 87 16.582 8.016 -4.337 1.00 0.62 C ATOM 1430 CD ARG A 87 16.000 8.123 -2.924 1.00 0.43 C ATOM 1431 NE ARG A 87 16.275 6.863 -2.178 1.00 0.48 N ATOM 1432 CZ ARG A 87 17.443 6.674 -1.628 1.00 0.80 C ATOM 1433 NH1 ARG A 87 18.370 7.586 -1.732 1.00 1.64 N ATOM 1434 NH2 ARG A 87 17.685 5.571 -0.973 1.00 0.86 N ATOM 0 H ARG A 87 15.019 8.860 -6.716 1.00 0.24 H new ATOM 0 HA ARG A 87 15.019 10.243 -4.084 1.00 0.24 H new ATOM 0 HB2 ARG A 87 17.321 9.344 -5.875 1.00 0.27 H new ATOM 0 HB3 ARG A 87 17.480 9.981 -4.250 1.00 0.27 H new ATOM 0 HG2 ARG A 87 15.898 7.463 -4.981 1.00 0.62 H new ATOM 0 HG3 ARG A 87 17.518 7.459 -4.313 1.00 0.62 H new ATOM 0 HD2 ARG A 87 16.441 8.972 -2.401 1.00 0.43 H new ATOM 0 HD3 ARG A 87 14.926 8.302 -2.974 1.00 0.43 H new ATOM 0 HE ARG A 87 15.551 6.149 -2.097 1.00 0.48 H new ATOM 0 HH11 ARG A 87 18.182 8.448 -2.244 1.00 1.64 H new ATOM 0 HH12 ARG A 87 19.283 7.437 -1.302 1.00 1.64 H new ATOM 0 HH21 ARG A 87 16.961 4.857 -0.891 1.00 0.86 H new ATOM 0 HH22 ARG A 87 18.598 5.423 -0.543 1.00 0.86 H new ATOM 1448 N VAL A 88 15.858 12.510 -4.815 1.00 0.27 N ATOM 1449 CA VAL A 88 16.110 13.902 -5.293 1.00 0.30 C ATOM 1450 C VAL A 88 17.388 14.426 -4.640 1.00 0.31 C ATOM 1451 O VAL A 88 17.873 15.491 -4.965 1.00 0.35 O ATOM 1452 CB VAL A 88 14.936 14.800 -4.895 1.00 0.31 C ATOM 1453 CG1 VAL A 88 15.111 16.187 -5.518 1.00 0.49 C ATOM 1454 CG2 VAL A 88 13.623 14.186 -5.387 1.00 0.63 C ATOM 0 H VAL A 88 15.796 12.411 -3.802 1.00 0.27 H new ATOM 0 HA VAL A 88 16.217 13.905 -6.378 1.00 0.30 H new ATOM 0 HB VAL A 88 14.910 14.890 -3.809 1.00 0.31 H new ATOM 0 HG11 VAL A 88 14.273 16.823 -5.232 1.00 0.49 H new ATOM 0 HG12 VAL A 88 16.041 16.631 -5.163 1.00 0.49 H new ATOM 0 HG13 VAL A 88 15.144 16.097 -6.604 1.00 0.49 H new ATOM 0 HG21 VAL A 88 12.791 14.829 -5.101 1.00 0.63 H new ATOM 0 HG22 VAL A 88 13.651 14.090 -6.472 1.00 0.63 H new ATOM 0 HG23 VAL A 88 13.491 13.201 -4.938 1.00 0.63 H new ATOM 1464 N TYR A 89 17.940 13.679 -3.728 1.00 0.31 N ATOM 1465 CA TYR A 89 19.190 14.128 -3.061 1.00 0.37 C ATOM 1466 C TYR A 89 19.703 13.020 -2.137 1.00 0.49 C ATOM 1467 O TYR A 89 19.181 11.921 -2.215 1.00 1.12 O ATOM 1468 CB TYR A 89 18.909 15.389 -2.242 1.00 0.35 C ATOM 1469 CG TYR A 89 19.870 16.479 -2.653 1.00 0.51 C ATOM 1470 CD1 TYR A 89 21.223 16.387 -2.303 1.00 1.13 C ATOM 1471 CD2 TYR A 89 19.410 17.581 -3.384 1.00 1.46 C ATOM 1472 CE1 TYR A 89 22.114 17.396 -2.684 1.00 1.28 C ATOM 1473 CE2 TYR A 89 20.302 18.591 -3.765 1.00 1.76 C ATOM 1474 CZ TYR A 89 21.655 18.498 -3.415 1.00 1.27 C ATOM 1475 OH TYR A 89 22.534 19.492 -3.790 1.00 1.67 O ATOM 1476 OXT TYR A 89 20.610 13.292 -1.368 1.00 1.00 O ATOM 0 H TYR A 89 17.580 12.777 -3.416 1.00 0.31 H new ATOM 0 HA TYR A 89 19.945 14.348 -3.816 1.00 0.37 H new ATOM 0 HB2 TYR A 89 17.881 15.717 -2.399 1.00 0.35 H new ATOM 0 HB3 TYR A 89 19.016 15.176 -1.178 1.00 0.35 H new ATOM 0 HD1 TYR A 89 21.578 15.537 -1.739 1.00 1.13 H new ATOM 0 HD2 TYR A 89 18.367 17.652 -3.654 1.00 1.46 H new ATOM 0 HE1 TYR A 89 23.157 17.325 -2.414 1.00 1.28 H new ATOM 0 HE2 TYR A 89 19.947 19.441 -4.328 1.00 1.76 H new ATOM 0 HH TYR A 89 22.052 20.182 -4.292 1.00 1.67 H new ATOM 1576 N ASN B 6 -15.924 9.721 1.035 1.00 0.33 N ATOM 1577 CA ASN B 6 -16.190 8.576 1.933 1.00 0.35 C ATOM 1578 C ASN B 6 -14.916 8.152 2.669 1.00 0.29 C ATOM 1579 O ASN B 6 -14.154 7.349 2.166 1.00 0.32 O ATOM 1580 CB ASN B 6 -16.737 7.376 1.153 1.00 0.52 C ATOM 1581 CG ASN B 6 -17.996 6.865 1.847 1.00 0.62 C ATOM 1582 OD1 ASN B 6 -17.912 5.811 2.607 1.00 1.46 O flip ATOM 1583 ND2 ASN B 6 -19.062 7.427 1.699 1.00 0.99 N flip ATOM 0 HA ASN B 6 -16.936 8.902 2.657 1.00 0.35 H new ATOM 0 HB2 ASN B 6 -16.964 7.666 0.127 1.00 0.52 H new ATOM 0 HB3 ASN B 6 -15.988 6.586 1.103 1.00 0.52 H new ATOM 0 HD21 ASN B 6 -19.125 8.252 1.103 1.00 0.99 H new ATOM 0 HD22 ASN B 6 -19.895 7.074 2.171 1.00 0.99 H new ATOM 1590 N GLU B 7 -14.661 8.648 3.842 1.00 0.28 N ATOM 1591 CA GLU B 7 -13.429 8.208 4.552 1.00 0.30 C ATOM 1592 C GLU B 7 -13.793 7.017 5.437 1.00 0.32 C ATOM 1593 O GLU B 7 -14.422 7.169 6.465 1.00 0.37 O ATOM 1594 CB GLU B 7 -12.890 9.353 5.404 1.00 0.36 C ATOM 1595 CG GLU B 7 -13.935 9.756 6.442 1.00 0.53 C ATOM 1596 CD GLU B 7 -13.858 11.264 6.687 1.00 0.76 C ATOM 1597 OE1 GLU B 7 -12.935 11.689 7.364 1.00 1.08 O ATOM 1598 OE2 GLU B 7 -14.724 11.970 6.194 1.00 1.49 O ATOM 0 H GLU B 7 -15.239 9.328 4.336 1.00 0.28 H new ATOM 0 HA GLU B 7 -12.658 7.920 3.837 1.00 0.30 H new ATOM 0 HB2 GLU B 7 -11.969 9.048 5.900 1.00 0.36 H new ATOM 0 HB3 GLU B 7 -12.644 10.206 4.771 1.00 0.36 H new ATOM 0 HG2 GLU B 7 -14.932 9.484 6.094 1.00 0.53 H new ATOM 0 HG3 GLU B 7 -13.764 9.217 7.374 1.00 0.53 H new ATOM 1605 N ILE B 8 -13.409 5.833 5.030 1.00 0.33 N ATOM 1606 CA ILE B 8 -13.735 4.613 5.828 1.00 0.38 C ATOM 1607 C ILE B 8 -12.450 3.959 6.328 1.00 0.34 C ATOM 1608 O ILE B 8 -11.494 3.790 5.598 1.00 0.34 O ATOM 1609 CB ILE B 8 -14.490 3.610 4.958 1.00 0.42 C ATOM 1610 CG1 ILE B 8 -15.512 4.344 4.087 1.00 0.47 C ATOM 1611 CG2 ILE B 8 -15.214 2.608 5.858 1.00 0.62 C ATOM 1612 CD1 ILE B 8 -16.431 3.322 3.413 1.00 1.17 C ATOM 0 H ILE B 8 -12.881 5.659 4.175 1.00 0.33 H new ATOM 0 HA ILE B 8 -14.353 4.906 6.676 1.00 0.38 H new ATOM 0 HB ILE B 8 -13.784 3.085 4.315 1.00 0.42 H new ATOM 0 HG12 ILE B 8 -16.099 5.031 4.696 1.00 0.47 H new ATOM 0 HG13 ILE B 8 -15.001 4.943 3.333 1.00 0.47 H new ATOM 0 HG21 ILE B 8 -15.755 1.890 5.242 1.00 0.62 H new ATOM 0 HG22 ILE B 8 -14.486 2.081 6.475 1.00 0.62 H new ATOM 0 HG23 ILE B 8 -15.918 3.138 6.500 1.00 0.62 H new ATOM 0 HD11 ILE B 8 -17.160 3.842 2.792 1.00 1.17 H new ATOM 0 HD12 ILE B 8 -15.837 2.653 2.791 1.00 1.17 H new ATOM 0 HD13 ILE B 8 -16.952 2.742 4.175 1.00 1.17 H new ATOM 1624 N VAL B 9 -12.435 3.578 7.570 1.00 0.32 N ATOM 1625 CA VAL B 9 -11.234 2.912 8.139 1.00 0.30 C ATOM 1626 C VAL B 9 -11.436 1.394 8.123 1.00 0.27 C ATOM 1627 O VAL B 9 -12.432 0.881 8.593 1.00 0.28 O ATOM 1628 CB VAL B 9 -11.028 3.379 9.578 1.00 0.34 C ATOM 1629 CG1 VAL B 9 -9.649 2.933 10.072 1.00 1.37 C ATOM 1630 CG2 VAL B 9 -11.120 4.905 9.635 1.00 1.27 C ATOM 0 H VAL B 9 -13.210 3.700 8.222 1.00 0.32 H new ATOM 0 HA VAL B 9 -10.359 3.170 7.542 1.00 0.30 H new ATOM 0 HB VAL B 9 -11.798 2.942 10.214 1.00 0.34 H new ATOM 0 HG11 VAL B 9 -9.505 3.268 11.099 1.00 1.37 H new ATOM 0 HG12 VAL B 9 -9.582 1.846 10.032 1.00 1.37 H new ATOM 0 HG13 VAL B 9 -8.877 3.368 9.437 1.00 1.37 H new ATOM 0 HG21 VAL B 9 -10.973 5.240 10.662 1.00 1.27 H new ATOM 0 HG22 VAL B 9 -10.350 5.340 8.998 1.00 1.27 H new ATOM 0 HG23 VAL B 9 -12.102 5.224 9.286 1.00 1.27 H new ATOM 1640 N VAL B 10 -10.503 0.682 7.573 1.00 0.24 N ATOM 1641 CA VAL B 10 -10.647 -0.800 7.513 1.00 0.22 C ATOM 1642 C VAL B 10 -10.062 -1.382 8.798 1.00 0.20 C ATOM 1643 O VAL B 10 -9.298 -0.727 9.480 1.00 0.21 O ATOM 1644 CB VAL B 10 -9.914 -1.340 6.273 1.00 0.22 C ATOM 1645 CG1 VAL B 10 -8.546 -1.913 6.653 1.00 0.34 C ATOM 1646 CG2 VAL B 10 -10.758 -2.438 5.621 1.00 0.37 C ATOM 0 H VAL B 10 -9.647 1.055 7.162 1.00 0.24 H new ATOM 0 HA VAL B 10 -11.695 -1.088 7.430 1.00 0.22 H new ATOM 0 HB VAL B 10 -9.765 -0.517 5.574 1.00 0.22 H new ATOM 0 HG11 VAL B 10 -8.048 -2.288 5.759 1.00 0.34 H new ATOM 0 HG12 VAL B 10 -7.937 -1.131 7.107 1.00 0.34 H new ATOM 0 HG13 VAL B 10 -8.678 -2.728 7.364 1.00 0.34 H new ATOM 0 HG21 VAL B 10 -10.240 -2.822 4.742 1.00 0.37 H new ATOM 0 HG22 VAL B 10 -10.914 -3.248 6.333 1.00 0.37 H new ATOM 0 HG23 VAL B 10 -11.722 -2.027 5.323 1.00 0.37 H new ATOM 1656 N ARG B 11 -10.423 -2.592 9.147 1.00 0.19 N ATOM 1657 CA ARG B 11 -9.893 -3.197 10.405 1.00 0.20 C ATOM 1658 C ARG B 11 -9.415 -4.621 10.153 1.00 0.21 C ATOM 1659 O ARG B 11 -9.615 -5.189 9.097 1.00 0.22 O ATOM 1660 CB ARG B 11 -10.957 -3.214 11.515 1.00 0.22 C ATOM 1661 CG ARG B 11 -12.376 -3.387 10.955 1.00 0.51 C ATOM 1662 CD ARG B 11 -13.193 -2.134 11.275 1.00 0.49 C ATOM 1663 NE ARG B 11 -14.586 -2.302 10.776 1.00 1.28 N ATOM 1664 CZ ARG B 11 -15.339 -1.254 10.588 1.00 1.53 C ATOM 1665 NH1 ARG B 11 -14.868 -0.061 10.832 1.00 1.59 N ATOM 1666 NH2 ARG B 11 -16.562 -1.397 10.158 1.00 2.37 N ATOM 0 H ARG B 11 -11.061 -3.185 8.616 1.00 0.19 H new ATOM 0 HA ARG B 11 -9.056 -2.580 10.732 1.00 0.20 H new ATOM 0 HB2 ARG B 11 -10.741 -4.025 12.210 1.00 0.22 H new ATOM 0 HB3 ARG B 11 -10.903 -2.285 12.082 1.00 0.22 H new ATOM 0 HG2 ARG B 11 -12.339 -3.547 9.877 1.00 0.51 H new ATOM 0 HG3 ARG B 11 -12.849 -4.267 11.392 1.00 0.51 H new ATOM 0 HD2 ARG B 11 -13.201 -1.958 12.351 1.00 0.49 H new ATOM 0 HD3 ARG B 11 -12.734 -1.261 10.812 1.00 0.49 H new ATOM 0 HE ARG B 11 -14.950 -3.235 10.582 1.00 1.28 H new ATOM 0 HH11 ARG B 11 -13.912 0.051 11.169 1.00 1.59 H new ATOM 0 HH12 ARG B 11 -15.456 0.759 10.685 1.00 1.59 H new ATOM 0 HH21 ARG B 11 -16.930 -2.329 9.968 1.00 2.37 H new ATOM 0 HH22 ARG B 11 -17.150 -0.577 10.011 1.00 2.37 H new ATOM 1680 N LYS B 12 -8.789 -5.197 11.137 1.00 0.22 N ATOM 1681 CA LYS B 12 -8.287 -6.586 11.003 1.00 0.25 C ATOM 1682 C LYS B 12 -9.379 -7.541 11.437 1.00 0.25 C ATOM 1683 O LYS B 12 -9.317 -8.728 11.186 1.00 0.31 O ATOM 1684 CB LYS B 12 -7.075 -6.788 11.904 1.00 0.31 C ATOM 1685 CG LYS B 12 -7.412 -6.335 13.329 1.00 0.43 C ATOM 1686 CD LYS B 12 -7.363 -7.530 14.282 1.00 1.00 C ATOM 1687 CE LYS B 12 -7.519 -7.032 15.718 1.00 0.99 C ATOM 1688 NZ LYS B 12 -7.898 -8.170 16.603 1.00 1.75 N ATOM 0 H LYS B 12 -8.602 -4.758 12.039 1.00 0.22 H new ATOM 0 HA LYS B 12 -8.004 -6.772 9.967 1.00 0.25 H new ATOM 0 HB2 LYS B 12 -6.781 -7.838 11.905 1.00 0.31 H new ATOM 0 HB3 LYS B 12 -6.227 -6.220 11.522 1.00 0.31 H new ATOM 0 HG2 LYS B 12 -6.705 -5.571 13.653 1.00 0.43 H new ATOM 0 HG3 LYS B 12 -8.403 -5.882 13.351 1.00 0.43 H new ATOM 0 HD2 LYS B 12 -8.158 -8.236 14.041 1.00 1.00 H new ATOM 0 HD3 LYS B 12 -6.418 -8.062 14.169 1.00 1.00 H new ATOM 0 HE2 LYS B 12 -6.586 -6.585 16.062 1.00 0.99 H new ATOM 0 HE3 LYS B 12 -8.281 -6.254 15.763 1.00 0.99 H new ATOM 0 HZ1 LYS B 12 -8.004 -7.830 17.580 1.00 1.75 H new ATOM 0 HZ2 LYS B 12 -8.798 -8.577 16.279 1.00 1.75 H new ATOM 0 HZ3 LYS B 12 -7.156 -8.898 16.569 1.00 1.75 H new ATOM 1702 N THR B 13 -10.397 -7.036 12.069 1.00 0.25 N ATOM 1703 CA THR B 13 -11.492 -7.930 12.485 1.00 0.36 C ATOM 1704 C THR B 13 -12.316 -8.229 11.240 1.00 0.49 C ATOM 1705 O THR B 13 -12.323 -9.335 10.739 1.00 0.91 O ATOM 1706 CB THR B 13 -12.354 -7.242 13.548 1.00 0.45 C ATOM 1707 OG1 THR B 13 -12.819 -5.997 13.046 1.00 1.19 O ATOM 1708 CG2 THR B 13 -11.519 -7.008 14.809 1.00 1.07 C ATOM 0 H THR B 13 -10.513 -6.052 12.311 1.00 0.25 H new ATOM 0 HA THR B 13 -11.105 -8.851 12.920 1.00 0.36 H new ATOM 0 HB THR B 13 -13.207 -7.875 13.792 1.00 0.45 H new ATOM 0 HG1 THR B 13 -13.291 -5.514 13.756 1.00 1.19 H new ATOM 0 HG21 THR B 13 -12.132 -6.518 15.566 1.00 1.07 H new ATOM 0 HG22 THR B 13 -11.164 -7.964 15.193 1.00 1.07 H new ATOM 0 HG23 THR B 13 -10.666 -6.374 14.568 1.00 1.07 H new ATOM 1716 N LYS B 14 -13.029 -7.255 10.746 1.00 0.31 N ATOM 1717 CA LYS B 14 -13.876 -7.473 9.545 1.00 0.38 C ATOM 1718 C LYS B 14 -13.036 -8.046 8.406 1.00 0.44 C ATOM 1719 O LYS B 14 -11.908 -7.656 8.185 1.00 1.02 O ATOM 1720 CB LYS B 14 -14.431 -6.116 9.101 1.00 0.41 C ATOM 1721 CG LYS B 14 -15.820 -5.876 9.705 1.00 0.68 C ATOM 1722 CD LYS B 14 -15.709 -5.692 11.227 1.00 0.90 C ATOM 1723 CE LYS B 14 -16.427 -6.830 11.963 1.00 1.34 C ATOM 1724 NZ LYS B 14 -15.936 -6.894 13.366 1.00 1.47 N ATOM 0 H LYS B 14 -13.060 -6.310 11.128 1.00 0.31 H new ATOM 0 HA LYS B 14 -14.679 -8.169 9.786 1.00 0.38 H new ATOM 0 HB2 LYS B 14 -13.752 -5.321 9.410 1.00 0.41 H new ATOM 0 HB3 LYS B 14 -14.491 -6.080 8.013 1.00 0.41 H new ATOM 0 HG2 LYS B 14 -16.273 -4.992 9.256 1.00 0.68 H new ATOM 0 HG3 LYS B 14 -16.474 -6.718 9.479 1.00 0.68 H new ATOM 0 HD2 LYS B 14 -14.659 -5.668 11.520 1.00 0.90 H new ATOM 0 HD3 LYS B 14 -16.143 -4.735 11.515 1.00 0.90 H new ATOM 0 HE2 LYS B 14 -17.504 -6.665 11.950 1.00 1.34 H new ATOM 0 HE3 LYS B 14 -16.244 -7.778 11.458 1.00 1.34 H new ATOM 0 HZ1 LYS B 14 -16.019 -7.869 13.719 1.00 1.47 H new ATOM 0 HZ2 LYS B 14 -14.940 -6.598 13.399 1.00 1.47 H new ATOM 0 HZ3 LYS B 14 -16.505 -6.260 13.962 1.00 1.47 H new ATOM 1738 N ASN B 15 -13.593 -8.976 7.685 1.00 0.41 N ATOM 1739 CA ASN B 15 -12.860 -9.599 6.552 1.00 0.31 C ATOM 1740 C ASN B 15 -12.768 -8.612 5.388 1.00 0.26 C ATOM 1741 O ASN B 15 -13.285 -7.514 5.445 1.00 0.30 O ATOM 1742 CB ASN B 15 -13.611 -10.849 6.096 1.00 0.39 C ATOM 1743 CG ASN B 15 -13.048 -12.074 6.818 1.00 0.53 C ATOM 1744 OD1 ASN B 15 -13.436 -12.369 7.931 1.00 1.22 O ATOM 1745 ND2 ASN B 15 -12.144 -12.804 6.227 1.00 1.21 N ATOM 0 H ASN B 15 -14.536 -9.335 7.835 1.00 0.41 H new ATOM 0 HA ASN B 15 -11.854 -9.867 6.876 1.00 0.31 H new ATOM 0 HB2 ASN B 15 -14.675 -10.745 6.309 1.00 0.39 H new ATOM 0 HB3 ASN B 15 -13.513 -10.972 5.017 1.00 0.39 H new ATOM 0 HD21 ASN B 15 -11.762 -13.624 6.699 1.00 1.21 H new ATOM 0 HD22 ASN B 15 -11.819 -12.556 5.293 1.00 1.21 H new ATOM 1752 N VAL B 16 -12.125 -9.007 4.327 1.00 0.24 N ATOM 1753 CA VAL B 16 -12.001 -8.113 3.143 1.00 0.25 C ATOM 1754 C VAL B 16 -13.359 -8.023 2.450 1.00 0.24 C ATOM 1755 O VAL B 16 -13.707 -7.025 1.839 1.00 0.25 O ATOM 1756 CB VAL B 16 -10.986 -8.706 2.163 1.00 0.28 C ATOM 1757 CG1 VAL B 16 -9.747 -9.189 2.922 1.00 0.26 C ATOM 1758 CG2 VAL B 16 -11.623 -9.891 1.431 1.00 0.45 C ATOM 0 H VAL B 16 -11.676 -9.918 4.228 1.00 0.24 H new ATOM 0 HA VAL B 16 -11.672 -7.124 3.461 1.00 0.25 H new ATOM 0 HB VAL B 16 -10.692 -7.941 1.445 1.00 0.28 H new ATOM 0 HG11 VAL B 16 -9.030 -9.610 2.217 1.00 0.26 H new ATOM 0 HG12 VAL B 16 -9.291 -8.349 3.446 1.00 0.26 H new ATOM 0 HG13 VAL B 16 -10.037 -9.953 3.644 1.00 0.26 H new ATOM 0 HG21 VAL B 16 -10.903 -10.316 0.732 1.00 0.45 H new ATOM 0 HG22 VAL B 16 -11.918 -10.650 2.155 1.00 0.45 H new ATOM 0 HG23 VAL B 16 -12.502 -9.551 0.884 1.00 0.45 H new ATOM 1768 N GLU B 17 -14.141 -9.058 2.556 1.00 0.24 N ATOM 1769 CA GLU B 17 -15.475 -9.039 1.914 1.00 0.27 C ATOM 1770 C GLU B 17 -16.390 -8.150 2.728 1.00 0.28 C ATOM 1771 O GLU B 17 -17.200 -7.423 2.198 1.00 0.30 O ATOM 1772 CB GLU B 17 -16.062 -10.452 1.872 1.00 0.37 C ATOM 1773 CG GLU B 17 -16.535 -10.855 3.272 1.00 0.79 C ATOM 1774 CD GLU B 17 -16.719 -12.373 3.332 1.00 1.09 C ATOM 1775 OE1 GLU B 17 -17.045 -12.950 2.308 1.00 1.53 O ATOM 1776 OE2 GLU B 17 -16.533 -12.930 4.400 1.00 1.70 O ATOM 0 H GLU B 17 -13.911 -9.915 3.060 1.00 0.24 H new ATOM 0 HA GLU B 17 -15.381 -8.663 0.895 1.00 0.27 H new ATOM 0 HB2 GLU B 17 -16.896 -10.489 1.171 1.00 0.37 H new ATOM 0 HB3 GLU B 17 -15.312 -11.157 1.514 1.00 0.37 H new ATOM 0 HG2 GLU B 17 -15.808 -10.536 4.019 1.00 0.79 H new ATOM 0 HG3 GLU B 17 -17.474 -10.355 3.508 1.00 0.79 H new ATOM 1783 N ASP B 18 -16.285 -8.207 4.022 1.00 0.29 N ATOM 1784 CA ASP B 18 -17.165 -7.387 4.870 1.00 0.35 C ATOM 1785 C ASP B 18 -17.036 -5.904 4.535 1.00 0.32 C ATOM 1786 O ASP B 18 -17.998 -5.169 4.672 1.00 0.32 O ATOM 1787 CB ASP B 18 -16.784 -7.626 6.325 1.00 0.43 C ATOM 1788 CG ASP B 18 -17.787 -6.925 7.242 1.00 0.66 C ATOM 1789 OD1 ASP B 18 -18.091 -5.773 6.986 1.00 1.46 O ATOM 1790 OD2 ASP B 18 -18.236 -7.556 8.185 1.00 1.19 O ATOM 0 H ASP B 18 -15.620 -8.793 4.526 1.00 0.29 H new ATOM 0 HA ASP B 18 -18.202 -7.674 4.693 1.00 0.35 H new ATOM 0 HB2 ASP B 18 -16.769 -8.695 6.536 1.00 0.43 H new ATOM 0 HB3 ASP B 18 -15.779 -7.250 6.514 1.00 0.43 H new ATOM 1795 N HIS B 19 -15.901 -5.423 4.070 1.00 0.31 N ATOM 1796 CA HIS B 19 -15.811 -3.979 3.725 1.00 0.31 C ATOM 1797 C HIS B 19 -16.093 -3.834 2.236 1.00 0.27 C ATOM 1798 O HIS B 19 -16.480 -2.783 1.766 1.00 0.30 O ATOM 1799 CB HIS B 19 -14.399 -3.465 4.022 1.00 0.35 C ATOM 1800 CG HIS B 19 -14.278 -3.137 5.484 1.00 0.49 C ATOM 1801 ND1 HIS B 19 -14.771 -1.956 6.020 1.00 1.21 N ATOM 1802 CD2 HIS B 19 -13.726 -3.825 6.536 1.00 1.40 C ATOM 1803 CE1 HIS B 19 -14.508 -1.968 7.340 1.00 1.22 C ATOM 1804 NE2 HIS B 19 -13.874 -3.083 7.702 1.00 1.39 N ATOM 0 H HIS B 19 -15.050 -5.965 3.919 1.00 0.31 H new ATOM 0 HA HIS B 19 -16.529 -3.406 4.311 1.00 0.31 H new ATOM 0 HB2 HIS B 19 -13.661 -4.219 3.746 1.00 0.35 H new ATOM 0 HB3 HIS B 19 -14.190 -2.579 3.422 1.00 0.35 H new ATOM 0 HD1 HIS B 19 -15.246 -1.214 5.507 1.00 1.21 H new ATOM 0 HD2 HIS B 19 -13.251 -4.792 6.468 1.00 1.40 H new ATOM 0 HE1 HIS B 19 -14.777 -1.174 8.020 1.00 1.22 H new ATOM 1813 N VAL B 20 -15.961 -4.904 1.493 1.00 0.23 N ATOM 1814 CA VAL B 20 -16.294 -4.825 0.049 1.00 0.22 C ATOM 1815 C VAL B 20 -17.817 -4.742 -0.003 1.00 0.22 C ATOM 1816 O VAL B 20 -18.404 -4.053 -0.814 1.00 0.23 O ATOM 1817 CB VAL B 20 -15.757 -6.074 -0.683 1.00 0.25 C ATOM 1818 CG1 VAL B 20 -16.885 -7.053 -1.027 1.00 0.34 C ATOM 1819 CG2 VAL B 20 -15.059 -5.653 -1.976 1.00 0.34 C ATOM 0 H VAL B 20 -15.641 -5.815 1.823 1.00 0.23 H new ATOM 0 HA VAL B 20 -15.841 -3.966 -0.446 1.00 0.22 H new ATOM 0 HB VAL B 20 -15.055 -6.573 -0.015 1.00 0.25 H new ATOM 0 HG11 VAL B 20 -16.470 -7.920 -1.541 1.00 0.34 H new ATOM 0 HG12 VAL B 20 -17.378 -7.377 -0.110 1.00 0.34 H new ATOM 0 HG13 VAL B 20 -17.610 -6.560 -1.674 1.00 0.34 H new ATOM 0 HG21 VAL B 20 -14.681 -6.537 -2.490 1.00 0.34 H new ATOM 0 HG22 VAL B 20 -15.769 -5.134 -2.620 1.00 0.34 H new ATOM 0 HG23 VAL B 20 -14.228 -4.987 -1.741 1.00 0.34 H new ATOM 1829 N LEU B 21 -18.443 -5.440 0.905 1.00 0.23 N ATOM 1830 CA LEU B 21 -19.926 -5.427 0.993 1.00 0.26 C ATOM 1831 C LEU B 21 -20.377 -4.048 1.471 1.00 0.26 C ATOM 1832 O LEU B 21 -21.220 -3.408 0.867 1.00 0.27 O ATOM 1833 CB LEU B 21 -20.390 -6.462 2.024 1.00 0.29 C ATOM 1834 CG LEU B 21 -20.217 -7.890 1.485 1.00 0.32 C ATOM 1835 CD1 LEU B 21 -20.594 -8.890 2.580 1.00 0.36 C ATOM 1836 CD2 LEU B 21 -21.125 -8.110 0.269 1.00 0.38 C ATOM 0 H LEU B 21 -17.980 -6.027 1.599 1.00 0.23 H new ATOM 0 HA LEU B 21 -20.349 -5.658 0.015 1.00 0.26 H new ATOM 0 HB2 LEU B 21 -19.819 -6.345 2.945 1.00 0.29 H new ATOM 0 HB3 LEU B 21 -21.437 -6.288 2.274 1.00 0.29 H new ATOM 0 HG LEU B 21 -19.179 -8.035 1.186 1.00 0.32 H new ATOM 0 HD11 LEU B 21 -20.473 -9.905 2.203 1.00 0.36 H new ATOM 0 HD12 LEU B 21 -19.946 -8.744 3.444 1.00 0.36 H new ATOM 0 HD13 LEU B 21 -21.632 -8.733 2.874 1.00 0.36 H new ATOM 0 HD21 LEU B 21 -20.994 -9.126 -0.104 1.00 0.38 H new ATOM 0 HD22 LEU B 21 -22.165 -7.962 0.560 1.00 0.38 H new ATOM 0 HD23 LEU B 21 -20.863 -7.399 -0.514 1.00 0.38 H new ATOM 1848 N ASP B 22 -19.819 -3.585 2.556 1.00 0.27 N ATOM 1849 CA ASP B 22 -20.218 -2.250 3.081 1.00 0.30 C ATOM 1850 C ASP B 22 -19.781 -1.150 2.110 1.00 0.28 C ATOM 1851 O ASP B 22 -20.417 -0.120 2.001 1.00 0.31 O ATOM 1852 CB ASP B 22 -19.556 -2.019 4.441 1.00 0.33 C ATOM 1853 CG ASP B 22 -20.238 -0.846 5.147 1.00 0.42 C ATOM 1854 OD1 ASP B 22 -20.999 -0.148 4.496 1.00 1.21 O ATOM 1855 OD2 ASP B 22 -19.988 -0.664 6.328 1.00 1.00 O ATOM 0 H ASP B 22 -19.106 -4.072 3.100 1.00 0.27 H new ATOM 0 HA ASP B 22 -21.302 -2.220 3.189 1.00 0.30 H new ATOM 0 HB2 ASP B 22 -19.632 -2.919 5.052 1.00 0.33 H new ATOM 0 HB3 ASP B 22 -18.494 -1.811 4.310 1.00 0.33 H new ATOM 1860 N VAL B 23 -18.704 -1.356 1.403 1.00 0.26 N ATOM 1861 CA VAL B 23 -18.241 -0.312 0.444 1.00 0.27 C ATOM 1862 C VAL B 23 -19.191 -0.265 -0.754 1.00 0.26 C ATOM 1863 O VAL B 23 -19.735 0.769 -1.084 1.00 0.28 O ATOM 1864 CB VAL B 23 -16.825 -0.628 -0.038 1.00 0.26 C ATOM 1865 CG1 VAL B 23 -16.495 0.256 -1.241 1.00 0.29 C ATOM 1866 CG2 VAL B 23 -15.828 -0.343 1.088 1.00 0.30 C ATOM 0 H VAL B 23 -18.127 -2.196 1.447 1.00 0.26 H new ATOM 0 HA VAL B 23 -18.235 0.655 0.947 1.00 0.27 H new ATOM 0 HB VAL B 23 -16.761 -1.678 -0.324 1.00 0.26 H new ATOM 0 HG11 VAL B 23 -15.486 0.035 -1.589 1.00 0.29 H new ATOM 0 HG12 VAL B 23 -17.207 0.060 -2.043 1.00 0.29 H new ATOM 0 HG13 VAL B 23 -16.557 1.305 -0.950 1.00 0.29 H new ATOM 0 HG21 VAL B 23 -14.818 -0.568 0.745 1.00 0.30 H new ATOM 0 HG22 VAL B 23 -15.889 0.708 1.371 1.00 0.30 H new ATOM 0 HG23 VAL B 23 -16.066 -0.966 1.951 1.00 0.30 H new ATOM 1876 N ILE B 24 -19.398 -1.377 -1.407 1.00 0.23 N ATOM 1877 CA ILE B 24 -20.317 -1.381 -2.579 1.00 0.25 C ATOM 1878 C ILE B 24 -21.698 -0.909 -2.129 1.00 0.26 C ATOM 1879 O ILE B 24 -22.490 -0.438 -2.922 1.00 0.28 O ATOM 1880 CB ILE B 24 -20.400 -2.795 -3.171 1.00 0.27 C ATOM 1881 CG1 ILE B 24 -20.641 -2.698 -4.680 1.00 0.46 C ATOM 1882 CG2 ILE B 24 -21.548 -3.576 -2.524 1.00 0.36 C ATOM 1883 CD1 ILE B 24 -20.842 -4.100 -5.258 1.00 0.69 C ATOM 0 H ILE B 24 -18.973 -2.276 -1.181 1.00 0.23 H new ATOM 0 HA ILE B 24 -19.940 -0.707 -3.348 1.00 0.25 H new ATOM 0 HB ILE B 24 -19.463 -3.316 -2.976 1.00 0.27 H new ATOM 0 HG12 ILE B 24 -21.518 -2.082 -4.880 1.00 0.46 H new ATOM 0 HG13 ILE B 24 -19.793 -2.212 -5.164 1.00 0.46 H new ATOM 0 HG21 ILE B 24 -21.595 -4.577 -2.954 1.00 0.36 H new ATOM 0 HG22 ILE B 24 -21.378 -3.650 -1.450 1.00 0.36 H new ATOM 0 HG23 ILE B 24 -22.489 -3.058 -2.708 1.00 0.36 H new ATOM 0 HD11 ILE B 24 -21.013 -4.030 -6.332 1.00 0.69 H new ATOM 0 HD12 ILE B 24 -19.952 -4.702 -5.071 1.00 0.69 H new ATOM 0 HD13 ILE B 24 -21.704 -4.569 -4.783 1.00 0.69 H new ATOM 1895 N VAL B 25 -21.992 -1.013 -0.860 1.00 0.27 N ATOM 1896 CA VAL B 25 -23.319 -0.546 -0.374 1.00 0.30 C ATOM 1897 C VAL B 25 -23.357 0.985 -0.425 1.00 0.30 C ATOM 1898 O VAL B 25 -24.355 1.581 -0.776 1.00 0.32 O ATOM 1899 CB VAL B 25 -23.529 -1.015 1.067 1.00 0.33 C ATOM 1900 CG1 VAL B 25 -24.584 -0.138 1.743 1.00 0.42 C ATOM 1901 CG2 VAL B 25 -24.002 -2.470 1.064 1.00 0.37 C ATOM 0 H VAL B 25 -21.375 -1.398 -0.145 1.00 0.27 H new ATOM 0 HA VAL B 25 -24.108 -0.956 -1.004 1.00 0.30 H new ATOM 0 HB VAL B 25 -22.589 -0.938 1.614 1.00 0.33 H new ATOM 0 HG11 VAL B 25 -24.733 -0.473 2.769 1.00 0.42 H new ATOM 0 HG12 VAL B 25 -24.248 0.899 1.745 1.00 0.42 H new ATOM 0 HG13 VAL B 25 -25.524 -0.214 1.197 1.00 0.42 H new ATOM 0 HG21 VAL B 25 -24.152 -2.806 2.090 1.00 0.37 H new ATOM 0 HG22 VAL B 25 -24.941 -2.546 0.516 1.00 0.37 H new ATOM 0 HG23 VAL B 25 -23.250 -3.096 0.584 1.00 0.37 H new ATOM 1911 N LEU B 26 -22.277 1.627 -0.069 1.00 0.30 N ATOM 1912 CA LEU B 26 -22.233 3.118 -0.087 1.00 0.32 C ATOM 1913 C LEU B 26 -22.284 3.627 -1.538 1.00 0.31 C ATOM 1914 O LEU B 26 -23.019 4.540 -1.874 1.00 0.33 O ATOM 1915 CB LEU B 26 -20.929 3.553 0.583 1.00 0.35 C ATOM 1916 CG LEU B 26 -21.154 3.690 2.093 1.00 0.61 C ATOM 1917 CD1 LEU B 26 -19.841 3.434 2.834 1.00 0.47 C ATOM 1918 CD2 LEU B 26 -21.652 5.100 2.419 1.00 1.15 C ATOM 0 H LEU B 26 -21.414 1.177 0.237 1.00 0.30 H new ATOM 0 HA LEU B 26 -23.088 3.534 0.446 1.00 0.32 H new ATOM 0 HB2 LEU B 26 -20.145 2.822 0.386 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -20.592 4.502 0.167 1.00 0.35 H new ATOM 0 HG LEU B 26 -21.900 2.961 2.409 1.00 0.61 H new ATOM 0 HD11 LEU B 26 -20.004 3.532 3.907 1.00 0.47 H new ATOM 0 HD12 LEU B 26 -19.488 2.427 2.611 1.00 0.47 H new ATOM 0 HD13 LEU B 26 -19.094 4.160 2.513 1.00 0.47 H new ATOM 0 HD21 LEU B 26 -21.810 5.191 3.494 1.00 1.15 H new ATOM 0 HD22 LEU B 26 -20.910 5.831 2.098 1.00 1.15 H new ATOM 0 HD23 LEU B 26 -22.591 5.284 1.897 1.00 1.15 H new ATOM 1930 N PHE B 27 -21.525 3.030 -2.406 1.00 0.29 N ATOM 1931 CA PHE B 27 -21.562 3.468 -3.828 1.00 0.31 C ATOM 1932 C PHE B 27 -23.015 3.407 -4.283 1.00 0.32 C ATOM 1933 O PHE B 27 -23.452 4.132 -5.155 1.00 0.34 O ATOM 1934 CB PHE B 27 -20.710 2.526 -4.678 1.00 0.32 C ATOM 1935 CG PHE B 27 -21.113 2.653 -6.127 1.00 0.42 C ATOM 1936 CD1 PHE B 27 -20.864 3.845 -6.819 1.00 1.37 C ATOM 1937 CD2 PHE B 27 -21.734 1.582 -6.780 1.00 1.18 C ATOM 1938 CE1 PHE B 27 -21.237 3.965 -8.163 1.00 1.46 C ATOM 1939 CE2 PHE B 27 -22.107 1.702 -8.125 1.00 1.22 C ATOM 1940 CZ PHE B 27 -21.858 2.894 -8.815 1.00 0.70 C ATOM 0 H PHE B 27 -20.885 2.264 -2.198 1.00 0.29 H new ATOM 0 HA PHE B 27 -21.167 4.478 -3.935 1.00 0.31 H new ATOM 0 HB2 PHE B 27 -19.654 2.768 -4.561 1.00 0.32 H new ATOM 0 HB3 PHE B 27 -20.840 1.497 -4.342 1.00 0.32 H new ATOM 0 HD1 PHE B 27 -20.384 4.671 -6.316 1.00 1.37 H new ATOM 0 HD2 PHE B 27 -21.926 0.663 -6.247 1.00 1.18 H new ATOM 0 HE1 PHE B 27 -21.045 4.884 -8.697 1.00 1.46 H new ATOM 0 HE2 PHE B 27 -22.586 0.876 -8.629 1.00 1.22 H new ATOM 0 HZ PHE B 27 -22.146 2.987 -9.852 1.00 0.70 H new ATOM 1950 N ASN B 28 -23.759 2.539 -3.666 1.00 0.31 N ATOM 1951 CA ASN B 28 -25.199 2.397 -4.011 1.00 0.34 C ATOM 1952 C ASN B 28 -25.931 3.704 -3.703 1.00 0.35 C ATOM 1953 O ASN B 28 -26.956 3.999 -4.286 1.00 0.36 O ATOM 1954 CB ASN B 28 -25.811 1.265 -3.190 1.00 0.36 C ATOM 1955 CG ASN B 28 -26.739 0.435 -4.078 1.00 0.43 C ATOM 1956 OD1 ASN B 28 -26.313 -0.523 -4.694 1.00 1.17 O ATOM 1957 ND2 ASN B 28 -27.998 0.763 -4.172 1.00 0.97 N ATOM 0 H ASN B 28 -23.429 1.915 -2.930 1.00 0.31 H new ATOM 0 HA ASN B 28 -25.296 2.169 -5.073 1.00 0.34 H new ATOM 0 HB2 ASN B 28 -25.024 0.634 -2.778 1.00 0.36 H new ATOM 0 HB3 ASN B 28 -26.367 1.673 -2.346 1.00 0.36 H new ATOM 0 HD21 ASN B 28 -28.625 0.216 -4.762 1.00 0.97 H new ATOM 0 HD22 ASN B 28 -28.356 1.567 -3.655 1.00 0.97 H new ATOM 1964 N GLN B 29 -25.421 4.498 -2.795 1.00 0.35 N ATOM 1965 CA GLN B 29 -26.101 5.780 -2.469 1.00 0.38 C ATOM 1966 C GLN B 29 -25.529 6.886 -3.350 1.00 0.39 C ATOM 1967 O GLN B 29 -25.980 8.014 -3.317 1.00 0.44 O ATOM 1968 CB GLN B 29 -25.869 6.127 -0.997 1.00 0.39 C ATOM 1969 CG GLN B 29 -26.280 4.943 -0.121 1.00 0.39 C ATOM 1970 CD GLN B 29 -26.051 5.293 1.351 1.00 0.42 C ATOM 1971 OE1 GLN B 29 -25.098 5.968 1.686 1.00 1.12 O ATOM 1972 NE2 GLN B 29 -26.893 4.861 2.250 1.00 1.17 N ATOM 0 H GLN B 29 -24.567 4.312 -2.270 1.00 0.35 H new ATOM 0 HA GLN B 29 -27.172 5.682 -2.649 1.00 0.38 H new ATOM 0 HB2 GLN B 29 -24.819 6.368 -0.831 1.00 0.39 H new ATOM 0 HB3 GLN B 29 -26.446 7.011 -0.726 1.00 0.39 H new ATOM 0 HG2 GLN B 29 -27.329 4.700 -0.289 1.00 0.39 H new ATOM 0 HG3 GLN B 29 -25.701 4.060 -0.390 1.00 0.39 H new ATOM 0 HE21 GLN B 29 -27.693 4.294 1.969 1.00 1.17 H new ATOM 0 HE22 GLN B 29 -26.751 5.090 3.234 1.00 1.17 H new ATOM 1981 N GLY B 30 -24.533 6.566 -4.132 1.00 0.35 N ATOM 1982 CA GLY B 30 -23.908 7.583 -5.022 1.00 0.38 C ATOM 1983 C GLY B 30 -22.504 7.909 -4.514 1.00 0.34 C ATOM 1984 O GLY B 30 -21.898 8.878 -4.926 1.00 0.36 O ATOM 0 H GLY B 30 -24.123 5.634 -4.192 1.00 0.35 H new ATOM 0 HA2 GLY B 30 -23.859 7.207 -6.044 1.00 0.38 H new ATOM 0 HA3 GLY B 30 -24.517 8.486 -5.044 1.00 0.38 H new ATOM 1988 N ILE B 31 -21.970 7.106 -3.629 1.00 0.31 N ATOM 1989 CA ILE B 31 -20.597 7.388 -3.117 1.00 0.29 C ATOM 1990 C ILE B 31 -19.580 6.921 -4.160 1.00 0.26 C ATOM 1991 O ILE B 31 -19.294 5.748 -4.288 1.00 0.25 O ATOM 1992 CB ILE B 31 -20.402 6.639 -1.791 1.00 0.29 C ATOM 1993 CG1 ILE B 31 -21.516 7.034 -0.798 1.00 0.41 C ATOM 1994 CG2 ILE B 31 -19.043 6.981 -1.184 1.00 0.31 C ATOM 1995 CD1 ILE B 31 -21.624 8.550 -0.685 1.00 0.59 C ATOM 0 H ILE B 31 -22.420 6.276 -3.243 1.00 0.31 H new ATOM 0 HA ILE B 31 -20.458 8.455 -2.942 1.00 0.29 H new ATOM 0 HB ILE B 31 -20.448 5.568 -1.987 1.00 0.29 H new ATOM 0 HG12 ILE B 31 -22.469 6.620 -1.129 1.00 0.41 H new ATOM 0 HG13 ILE B 31 -21.305 6.605 0.182 1.00 0.41 H new ATOM 0 HG21 ILE B 31 -18.918 6.443 -0.244 1.00 0.31 H new ATOM 0 HG22 ILE B 31 -18.252 6.691 -1.876 1.00 0.31 H new ATOM 0 HG23 ILE B 31 -18.987 8.054 -0.998 1.00 0.31 H new ATOM 0 HD11 ILE B 31 -22.415 8.807 0.020 1.00 0.59 H new ATOM 0 HD12 ILE B 31 -20.677 8.957 -0.331 1.00 0.59 H new ATOM 0 HD13 ILE B 31 -21.858 8.972 -1.662 1.00 0.59 H new ATOM 2007 N ASP B 32 -19.030 7.838 -4.908 1.00 0.27 N ATOM 2008 CA ASP B 32 -18.036 7.456 -5.945 1.00 0.27 C ATOM 2009 C ASP B 32 -16.607 7.486 -5.392 1.00 0.27 C ATOM 2010 O ASP B 32 -15.778 6.694 -5.790 1.00 0.29 O ATOM 2011 CB ASP B 32 -18.138 8.424 -7.124 1.00 0.29 C ATOM 2012 CG ASP B 32 -19.453 8.187 -7.867 1.00 0.66 C ATOM 2013 OD1 ASP B 32 -20.491 8.507 -7.312 1.00 1.25 O ATOM 2014 OD2 ASP B 32 -19.401 7.689 -8.980 1.00 1.46 O ATOM 0 H ASP B 32 -19.228 8.837 -4.844 1.00 0.27 H new ATOM 0 HA ASP B 32 -18.256 6.438 -6.267 1.00 0.27 H new ATOM 0 HB2 ASP B 32 -18.090 9.453 -6.768 1.00 0.29 H new ATOM 0 HB3 ASP B 32 -17.295 8.280 -7.800 1.00 0.29 H new ATOM 2019 N GLU B 33 -16.304 8.405 -4.502 1.00 0.27 N ATOM 2020 CA GLU B 33 -14.917 8.496 -3.958 1.00 0.28 C ATOM 2021 C GLU B 33 -14.852 7.892 -2.560 1.00 0.26 C ATOM 2022 O GLU B 33 -15.714 8.124 -1.740 1.00 0.28 O ATOM 2023 CB GLU B 33 -14.476 9.955 -3.890 1.00 0.30 C ATOM 2024 CG GLU B 33 -13.876 10.364 -5.237 1.00 0.60 C ATOM 2025 CD GLU B 33 -14.077 11.865 -5.454 1.00 0.49 C ATOM 2026 OE1 GLU B 33 -13.817 12.616 -4.529 1.00 1.08 O ATOM 2027 OE2 GLU B 33 -14.486 12.236 -6.541 1.00 1.20 O ATOM 0 H GLU B 33 -16.960 9.093 -4.132 1.00 0.27 H new ATOM 0 HA GLU B 33 -14.253 7.942 -4.621 1.00 0.28 H new ATOM 0 HB2 GLU B 33 -15.326 10.593 -3.648 1.00 0.30 H new ATOM 0 HB3 GLU B 33 -13.741 10.088 -3.096 1.00 0.30 H new ATOM 0 HG2 GLU B 33 -12.814 10.122 -5.262 1.00 0.60 H new ATOM 0 HG3 GLU B 33 -14.350 9.803 -6.043 1.00 0.60 H new ATOM 2034 N VAL B 34 -13.850 7.104 -2.289 1.00 0.25 N ATOM 2035 CA VAL B 34 -13.761 6.473 -0.939 1.00 0.24 C ATOM 2036 C VAL B 34 -12.304 6.260 -0.507 1.00 0.24 C ATOM 2037 O VAL B 34 -11.445 5.945 -1.308 1.00 0.33 O ATOM 2038 CB VAL B 34 -14.495 5.133 -0.985 1.00 0.24 C ATOM 2039 CG1 VAL B 34 -13.943 4.280 -2.126 1.00 0.49 C ATOM 2040 CG2 VAL B 34 -14.311 4.397 0.343 1.00 0.35 C ATOM 0 H VAL B 34 -13.095 6.870 -2.934 1.00 0.25 H new ATOM 0 HA VAL B 34 -14.220 7.137 -0.207 1.00 0.24 H new ATOM 0 HB VAL B 34 -15.557 5.313 -1.152 1.00 0.24 H new ATOM 0 HG11 VAL B 34 -14.469 3.326 -2.155 1.00 0.49 H new ATOM 0 HG12 VAL B 34 -14.086 4.802 -3.072 1.00 0.49 H new ATOM 0 HG13 VAL B 34 -12.879 4.103 -1.966 1.00 0.49 H new ATOM 0 HG21 VAL B 34 -14.836 3.442 0.306 1.00 0.35 H new ATOM 0 HG22 VAL B 34 -13.250 4.221 0.517 1.00 0.35 H new ATOM 0 HG23 VAL B 34 -14.716 5.002 1.154 1.00 0.35 H new ATOM 2050 N ILE B 35 -12.040 6.457 0.773 1.00 0.20 N ATOM 2051 CA ILE B 35 -10.650 6.294 1.315 1.00 0.21 C ATOM 2052 C ILE B 35 -10.585 5.139 2.327 1.00 0.21 C ATOM 2053 O ILE B 35 -11.294 5.126 3.314 1.00 0.23 O ATOM 2054 CB ILE B 35 -10.225 7.591 2.007 1.00 0.25 C ATOM 2055 CG1 ILE B 35 -10.968 8.774 1.374 1.00 0.26 C ATOM 2056 CG2 ILE B 35 -8.715 7.781 1.844 1.00 0.31 C ATOM 2057 CD1 ILE B 35 -10.177 10.063 1.600 1.00 0.31 C ATOM 0 H ILE B 35 -12.738 6.726 1.467 1.00 0.20 H new ATOM 0 HA ILE B 35 -9.980 6.068 0.486 1.00 0.21 H new ATOM 0 HB ILE B 35 -10.470 7.539 3.068 1.00 0.25 H new ATOM 0 HG12 ILE B 35 -11.102 8.601 0.306 1.00 0.26 H new ATOM 0 HG13 ILE B 35 -11.963 8.866 1.810 1.00 0.26 H new ATOM 0 HG21 ILE B 35 -8.409 8.704 2.336 1.00 0.31 H new ATOM 0 HG22 ILE B 35 -8.191 6.938 2.296 1.00 0.31 H new ATOM 0 HG23 ILE B 35 -8.468 7.836 0.784 1.00 0.31 H new ATOM 0 HD11 ILE B 35 -10.709 10.900 1.148 1.00 0.31 H new ATOM 0 HD12 ILE B 35 -10.065 10.239 2.670 1.00 0.31 H new ATOM 0 HD13 ILE B 35 -9.192 9.970 1.143 1.00 0.31 H new ATOM 2069 N LEU B 36 -9.723 4.175 2.089 1.00 0.23 N ATOM 2070 CA LEU B 36 -9.585 3.021 3.035 1.00 0.26 C ATOM 2071 C LEU B 36 -8.331 3.195 3.901 1.00 0.24 C ATOM 2072 O LEU B 36 -7.232 3.277 3.389 1.00 0.26 O ATOM 2073 CB LEU B 36 -9.457 1.716 2.246 1.00 0.30 C ATOM 2074 CG LEU B 36 -10.772 0.936 2.349 1.00 0.40 C ATOM 2075 CD1 LEU B 36 -11.919 1.784 1.797 1.00 0.46 C ATOM 2076 CD2 LEU B 36 -10.668 -0.354 1.536 1.00 0.48 C ATOM 0 H LEU B 36 -9.107 4.139 1.276 1.00 0.23 H new ATOM 0 HA LEU B 36 -10.469 2.987 3.671 1.00 0.26 H new ATOM 0 HB2 LEU B 36 -9.227 1.929 1.202 1.00 0.30 H new ATOM 0 HB3 LEU B 36 -8.634 1.119 2.638 1.00 0.30 H new ATOM 0 HG LEU B 36 -10.964 0.697 3.395 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -12.853 1.226 1.872 1.00 0.46 H new ATOM 0 HD12 LEU B 36 -12.000 2.706 2.373 1.00 0.46 H new ATOM 0 HD13 LEU B 36 -11.723 2.025 0.752 1.00 0.46 H new ATOM 0 HD21 LEU B 36 -11.604 -0.907 1.610 1.00 0.48 H new ATOM 0 HD22 LEU B 36 -10.472 -0.111 0.492 1.00 0.48 H new ATOM 0 HD23 LEU B 36 -9.853 -0.965 1.925 1.00 0.48 H new ATOM 2088 N LYS B 37 -8.478 3.224 5.205 1.00 0.23 N ATOM 2089 CA LYS B 37 -7.280 3.362 6.091 1.00 0.23 C ATOM 2090 C LYS B 37 -6.941 1.995 6.698 1.00 0.21 C ATOM 2091 O LYS B 37 -7.801 1.335 7.248 1.00 0.20 O ATOM 2092 CB LYS B 37 -7.589 4.341 7.218 1.00 0.29 C ATOM 2093 CG LYS B 37 -8.474 5.473 6.691 1.00 1.26 C ATOM 2094 CD LYS B 37 -8.110 6.777 7.404 1.00 1.50 C ATOM 2095 CE LYS B 37 -9.020 7.904 6.910 1.00 2.39 C ATOM 2096 NZ LYS B 37 -9.599 8.621 8.080 1.00 2.74 N ATOM 0 H LYS B 37 -9.372 3.158 5.691 1.00 0.23 H new ATOM 0 HA LYS B 37 -6.437 3.730 5.506 1.00 0.23 H new ATOM 0 HB2 LYS B 37 -8.092 3.823 8.034 1.00 0.29 H new ATOM 0 HB3 LYS B 37 -6.663 4.749 7.622 1.00 0.29 H new ATOM 0 HG2 LYS B 37 -8.339 5.584 5.615 1.00 1.26 H new ATOM 0 HG3 LYS B 37 -9.525 5.236 6.858 1.00 1.26 H new ATOM 0 HD2 LYS B 37 -8.217 6.656 8.482 1.00 1.50 H new ATOM 0 HD3 LYS B 37 -7.067 7.028 7.213 1.00 1.50 H new ATOM 0 HE2 LYS B 37 -8.454 8.598 6.288 1.00 2.39 H new ATOM 0 HE3 LYS B 37 -9.817 7.497 6.288 1.00 2.39 H new ATOM 0 HZ1 LYS B 37 -10.218 9.387 7.746 1.00 2.74 H new ATOM 0 HZ2 LYS B 37 -10.153 7.955 8.656 1.00 2.74 H new ATOM 0 HZ3 LYS B 37 -8.832 9.022 8.656 1.00 2.74 H new ATOM 2110 N GLY B 38 -5.709 1.559 6.593 1.00 0.21 N ATOM 2111 CA GLY B 38 -5.351 0.217 7.166 1.00 0.22 C ATOM 2112 C GLY B 38 -4.000 0.253 7.891 1.00 0.22 C ATOM 2113 O GLY B 38 -3.141 1.040 7.570 1.00 0.24 O ATOM 0 H GLY B 38 -4.944 2.063 6.143 1.00 0.21 H new ATOM 0 HA2 GLY B 38 -6.128 -0.102 7.860 1.00 0.22 H new ATOM 0 HA3 GLY B 38 -5.315 -0.523 6.366 1.00 0.22 H new ATOM 2117 N THR B 39 -3.831 -0.593 8.891 1.00 0.22 N ATOM 2118 CA THR B 39 -2.551 -0.603 9.677 1.00 0.25 C ATOM 2119 C THR B 39 -1.988 -2.023 9.851 1.00 0.23 C ATOM 2120 O THR B 39 -2.702 -2.962 10.101 1.00 0.20 O ATOM 2121 CB THR B 39 -2.814 -0.012 11.065 1.00 0.28 C ATOM 2122 OG1 THR B 39 -3.786 -0.798 11.740 1.00 0.29 O ATOM 2123 CG2 THR B 39 -3.325 1.422 10.925 1.00 0.49 C ATOM 0 H THR B 39 -4.526 -1.275 9.194 1.00 0.22 H new ATOM 0 HA THR B 39 -1.820 -0.013 9.125 1.00 0.25 H new ATOM 0 HB THR B 39 -1.887 -0.011 11.638 1.00 0.28 H new ATOM 0 HG1 THR B 39 -3.953 -0.420 12.629 1.00 0.29 H new ATOM 0 HG21 THR B 39 -3.511 1.840 11.914 1.00 0.49 H new ATOM 0 HG22 THR B 39 -2.578 2.026 10.411 1.00 0.49 H new ATOM 0 HG23 THR B 39 -4.251 1.424 10.350 1.00 0.49 H new ATOM 2131 N GLY B 40 -0.690 -2.157 9.735 1.00 0.25 N ATOM 2132 CA GLY B 40 -0.016 -3.488 9.912 1.00 0.26 C ATOM 2133 C GLY B 40 -0.870 -4.640 9.371 1.00 0.25 C ATOM 2134 O GLY B 40 -0.683 -5.091 8.262 1.00 0.28 O ATOM 0 H GLY B 40 -0.055 -1.388 9.521 1.00 0.25 H new ATOM 0 HA2 GLY B 40 0.946 -3.478 9.400 1.00 0.26 H new ATOM 0 HA3 GLY B 40 0.188 -3.653 10.970 1.00 0.26 H new ATOM 2138 N ARG B 41 -1.799 -5.129 10.151 1.00 0.23 N ATOM 2139 CA ARG B 41 -2.654 -6.256 9.677 1.00 0.24 C ATOM 2140 C ARG B 41 -3.771 -5.708 8.796 1.00 0.22 C ATOM 2141 O ARG B 41 -3.956 -6.136 7.675 1.00 0.26 O ATOM 2142 CB ARG B 41 -3.266 -7.002 10.871 1.00 0.24 C ATOM 2143 CG ARG B 41 -3.419 -6.054 12.067 1.00 0.61 C ATOM 2144 CD ARG B 41 -2.137 -6.050 12.910 1.00 0.94 C ATOM 2145 NE ARG B 41 -0.965 -6.417 12.066 1.00 1.74 N ATOM 2146 CZ ARG B 41 0.217 -6.532 12.605 1.00 2.19 C ATOM 2147 NH1 ARG B 41 0.376 -6.317 13.883 1.00 2.10 N ATOM 2148 NH2 ARG B 41 1.241 -6.861 11.867 1.00 3.16 N ATOM 0 H ARG B 41 -2.002 -4.797 11.094 1.00 0.23 H new ATOM 0 HA ARG B 41 -2.038 -6.950 9.106 1.00 0.24 H new ATOM 0 HB2 ARG B 41 -4.238 -7.410 10.594 1.00 0.24 H new ATOM 0 HB3 ARG B 41 -2.633 -7.846 11.145 1.00 0.24 H new ATOM 0 HG2 ARG B 41 -3.634 -5.045 11.715 1.00 0.61 H new ATOM 0 HG3 ARG B 41 -4.265 -6.365 12.680 1.00 0.61 H new ATOM 0 HD2 ARG B 41 -1.984 -5.064 13.348 1.00 0.94 H new ATOM 0 HD3 ARG B 41 -2.234 -6.754 13.736 1.00 0.94 H new ATOM 0 HE ARG B 41 -1.087 -6.578 11.066 1.00 1.74 H new ATOM 0 HH11 ARG B 41 -0.424 -6.059 14.460 1.00 2.10 H new ATOM 0 HH12 ARG B 41 1.301 -6.407 14.304 1.00 2.10 H new ATOM 0 HH21 ARG B 41 1.117 -7.028 10.868 1.00 3.16 H new ATOM 0 HH22 ARG B 41 2.165 -6.951 12.288 1.00 3.16 H new ATOM 2162 N GLU B 42 -4.529 -4.773 9.294 1.00 0.18 N ATOM 2163 CA GLU B 42 -5.635 -4.220 8.479 1.00 0.17 C ATOM 2164 C GLU B 42 -5.048 -3.651 7.193 1.00 0.18 C ATOM 2165 O GLU B 42 -5.734 -3.471 6.205 1.00 0.19 O ATOM 2166 CB GLU B 42 -6.350 -3.099 9.245 1.00 0.16 C ATOM 2167 CG GLU B 42 -5.809 -2.981 10.676 1.00 0.16 C ATOM 2168 CD GLU B 42 -6.686 -2.024 11.484 1.00 0.63 C ATOM 2169 OE1 GLU B 42 -7.044 -0.987 10.949 1.00 1.29 O ATOM 2170 OE2 GLU B 42 -6.985 -2.344 12.622 1.00 1.38 O ATOM 0 H GLU B 42 -4.428 -4.372 10.226 1.00 0.18 H new ATOM 0 HA GLU B 42 -6.354 -5.009 8.257 1.00 0.17 H new ATOM 0 HB2 GLU B 42 -6.215 -2.152 8.722 1.00 0.16 H new ATOM 0 HB3 GLU B 42 -7.421 -3.298 9.272 1.00 0.16 H new ATOM 0 HG2 GLU B 42 -5.793 -3.962 11.150 1.00 0.16 H new ATOM 0 HG3 GLU B 42 -4.781 -2.619 10.657 1.00 0.16 H new ATOM 2177 N ILE B 43 -3.777 -3.358 7.192 1.00 0.19 N ATOM 2178 CA ILE B 43 -3.141 -2.800 5.973 1.00 0.23 C ATOM 2179 C ILE B 43 -3.381 -3.728 4.775 1.00 0.26 C ATOM 2180 O ILE B 43 -3.511 -3.278 3.656 1.00 0.30 O ATOM 2181 CB ILE B 43 -1.632 -2.642 6.239 1.00 0.30 C ATOM 2182 CG1 ILE B 43 -1.105 -1.418 5.498 1.00 0.34 C ATOM 2183 CG2 ILE B 43 -0.876 -3.869 5.740 1.00 0.39 C ATOM 2184 CD1 ILE B 43 0.394 -1.260 5.763 1.00 0.85 C ATOM 0 H ILE B 43 -3.152 -3.483 7.988 1.00 0.19 H new ATOM 0 HA ILE B 43 -3.577 -1.829 5.737 1.00 0.23 H new ATOM 0 HB ILE B 43 -1.481 -2.528 7.313 1.00 0.30 H new ATOM 0 HG12 ILE B 43 -1.286 -1.523 4.428 1.00 0.34 H new ATOM 0 HG13 ILE B 43 -1.638 -0.525 5.825 1.00 0.34 H new ATOM 0 HG21 ILE B 43 0.189 -3.744 5.934 1.00 0.39 H new ATOM 0 HG22 ILE B 43 -1.238 -4.756 6.260 1.00 0.39 H new ATOM 0 HG23 ILE B 43 -1.038 -3.985 4.668 1.00 0.39 H new ATOM 0 HD11 ILE B 43 0.767 -0.384 5.232 1.00 0.85 H new ATOM 0 HD12 ILE B 43 0.563 -1.135 6.833 1.00 0.85 H new ATOM 0 HD13 ILE B 43 0.921 -2.148 5.414 1.00 0.85 H new ATOM 2196 N SER B 44 -3.435 -5.015 4.994 1.00 0.27 N ATOM 2197 CA SER B 44 -3.654 -5.955 3.858 1.00 0.31 C ATOM 2198 C SER B 44 -5.146 -6.044 3.574 1.00 0.30 C ATOM 2199 O SER B 44 -5.566 -6.357 2.478 1.00 0.32 O ATOM 2200 CB SER B 44 -3.116 -7.339 4.223 1.00 0.36 C ATOM 2201 OG SER B 44 -2.849 -7.385 5.618 1.00 1.12 O ATOM 0 H SER B 44 -3.337 -5.455 5.909 1.00 0.27 H new ATOM 0 HA SER B 44 -3.130 -5.593 2.973 1.00 0.31 H new ATOM 0 HB2 SER B 44 -3.842 -8.107 3.954 1.00 0.36 H new ATOM 0 HB3 SER B 44 -2.207 -7.549 3.660 1.00 0.36 H new ATOM 0 HG SER B 44 -3.655 -7.131 6.114 1.00 1.12 H new ATOM 2207 N LYS B 45 -5.952 -5.727 4.544 1.00 0.26 N ATOM 2208 CA LYS B 45 -7.409 -5.752 4.293 1.00 0.26 C ATOM 2209 C LYS B 45 -7.689 -4.671 3.256 1.00 0.25 C ATOM 2210 O LYS B 45 -8.047 -4.960 2.132 1.00 0.27 O ATOM 2211 CB LYS B 45 -8.185 -5.487 5.586 1.00 0.26 C ATOM 2212 CG LYS B 45 -8.317 -6.790 6.384 1.00 0.40 C ATOM 2213 CD LYS B 45 -6.950 -7.477 6.496 1.00 0.91 C ATOM 2214 CE LYS B 45 -6.977 -8.502 7.631 1.00 0.81 C ATOM 2215 NZ LYS B 45 -6.268 -7.947 8.817 1.00 1.87 N ATOM 0 H LYS B 45 -5.668 -5.456 5.485 1.00 0.26 H new ATOM 0 HA LYS B 45 -7.729 -6.729 3.930 1.00 0.26 H new ATOM 0 HB2 LYS B 45 -7.670 -4.734 6.183 1.00 0.26 H new ATOM 0 HB3 LYS B 45 -9.173 -5.089 5.354 1.00 0.26 H new ATOM 0 HG2 LYS B 45 -8.710 -6.579 7.379 1.00 0.40 H new ATOM 0 HG3 LYS B 45 -9.029 -7.455 5.895 1.00 0.40 H new ATOM 0 HD2 LYS B 45 -6.702 -7.969 5.555 1.00 0.91 H new ATOM 0 HD3 LYS B 45 -6.174 -6.735 6.682 1.00 0.91 H new ATOM 0 HE2 LYS B 45 -8.007 -8.746 7.891 1.00 0.81 H new ATOM 0 HE3 LYS B 45 -6.501 -9.429 7.310 1.00 0.81 H new ATOM 0 HZ1 LYS B 45 -6.671 -8.355 9.685 1.00 1.87 H new ATOM 0 HZ2 LYS B 45 -5.257 -8.185 8.760 1.00 1.87 H new ATOM 0 HZ3 LYS B 45 -6.380 -6.913 8.836 1.00 1.87 H new ATOM 2229 N ALA B 46 -7.535 -3.428 3.640 1.00 0.22 N ATOM 2230 CA ALA B 46 -7.792 -2.296 2.691 1.00 0.21 C ATOM 2231 C ALA B 46 -7.324 -2.670 1.278 1.00 0.19 C ATOM 2232 O ALA B 46 -8.023 -2.467 0.306 1.00 0.22 O ATOM 2233 CB ALA B 46 -7.034 -1.054 3.166 1.00 0.26 C ATOM 0 H ALA B 46 -7.241 -3.145 4.575 1.00 0.22 H new ATOM 0 HA ALA B 46 -8.862 -2.090 2.666 1.00 0.21 H new ATOM 0 HB1 ALA B 46 -7.219 -0.229 2.478 1.00 0.26 H new ATOM 0 HB2 ALA B 46 -7.376 -0.778 4.163 1.00 0.26 H new ATOM 0 HB3 ALA B 46 -5.966 -1.269 3.196 1.00 0.26 H new ATOM 2239 N VAL B 47 -6.150 -3.221 1.161 1.00 0.18 N ATOM 2240 CA VAL B 47 -5.638 -3.621 -0.184 1.00 0.18 C ATOM 2241 C VAL B 47 -6.585 -4.663 -0.793 1.00 0.18 C ATOM 2242 O VAL B 47 -7.240 -4.412 -1.785 1.00 0.19 O ATOM 2243 CB VAL B 47 -4.228 -4.216 -0.033 1.00 0.24 C ATOM 2244 CG1 VAL B 47 -3.730 -4.776 -1.376 1.00 0.28 C ATOM 2245 CG2 VAL B 47 -3.265 -3.125 0.438 1.00 0.27 C ATOM 0 H VAL B 47 -5.519 -3.413 1.939 1.00 0.18 H new ATOM 0 HA VAL B 47 -5.591 -2.751 -0.839 1.00 0.18 H new ATOM 0 HB VAL B 47 -4.268 -5.025 0.696 1.00 0.24 H new ATOM 0 HG11 VAL B 47 -2.731 -5.192 -1.248 1.00 0.28 H new ATOM 0 HG12 VAL B 47 -4.408 -5.558 -1.718 1.00 0.28 H new ATOM 0 HG13 VAL B 47 -3.698 -3.975 -2.115 1.00 0.28 H new ATOM 0 HG21 VAL B 47 -2.265 -3.544 0.546 1.00 0.27 H new ATOM 0 HG22 VAL B 47 -3.243 -2.318 -0.294 1.00 0.27 H new ATOM 0 HG23 VAL B 47 -3.600 -2.734 1.399 1.00 0.27 H new ATOM 2255 N ASP B 48 -6.661 -5.827 -0.209 1.00 0.20 N ATOM 2256 CA ASP B 48 -7.567 -6.878 -0.759 1.00 0.23 C ATOM 2257 C ASP B 48 -8.936 -6.261 -1.019 1.00 0.26 C ATOM 2258 O ASP B 48 -9.523 -6.440 -2.066 1.00 0.30 O ATOM 2259 CB ASP B 48 -7.719 -8.016 0.252 1.00 0.24 C ATOM 2260 CG ASP B 48 -8.236 -9.268 -0.459 1.00 0.41 C ATOM 2261 OD1 ASP B 48 -8.661 -9.146 -1.596 1.00 1.25 O ATOM 2262 OD2 ASP B 48 -8.199 -10.327 0.144 1.00 1.08 O ATOM 0 H ASP B 48 -6.137 -6.097 0.623 1.00 0.20 H new ATOM 0 HA ASP B 48 -7.146 -7.271 -1.684 1.00 0.23 H new ATOM 0 HB2 ASP B 48 -6.760 -8.225 0.727 1.00 0.24 H new ATOM 0 HB3 ASP B 48 -8.409 -7.723 1.043 1.00 0.24 H new ATOM 2267 N VAL B 49 -9.433 -5.523 -0.070 1.00 0.26 N ATOM 2268 CA VAL B 49 -10.758 -4.878 -0.258 1.00 0.32 C ATOM 2269 C VAL B 49 -10.764 -4.201 -1.629 1.00 0.31 C ATOM 2270 O VAL B 49 -11.626 -4.451 -2.449 1.00 0.31 O ATOM 2271 CB VAL B 49 -11.010 -3.843 0.839 1.00 0.39 C ATOM 2272 CG1 VAL B 49 -12.294 -3.074 0.523 1.00 1.06 C ATOM 2273 CG2 VAL B 49 -11.165 -4.558 2.183 1.00 0.96 C ATOM 0 H VAL B 49 -8.980 -5.339 0.825 1.00 0.26 H new ATOM 0 HA VAL B 49 -11.548 -5.627 -0.200 1.00 0.32 H new ATOM 0 HB VAL B 49 -10.171 -3.149 0.888 1.00 0.39 H new ATOM 0 HG11 VAL B 49 -12.477 -2.335 1.303 1.00 1.06 H new ATOM 0 HG12 VAL B 49 -12.189 -2.569 -0.437 1.00 1.06 H new ATOM 0 HG13 VAL B 49 -13.133 -3.769 0.478 1.00 1.06 H new ATOM 0 HG21 VAL B 49 -11.345 -3.823 2.968 1.00 0.96 H new ATOM 0 HG22 VAL B 49 -12.007 -5.249 2.133 1.00 0.96 H new ATOM 0 HG23 VAL B 49 -10.254 -5.113 2.407 1.00 0.96 H new ATOM 2283 N TYR B 50 -9.811 -3.344 -1.887 1.00 0.33 N ATOM 2284 CA TYR B 50 -9.755 -2.647 -3.202 1.00 0.36 C ATOM 2285 C TYR B 50 -9.638 -3.656 -4.340 1.00 0.32 C ATOM 2286 O TYR B 50 -10.484 -3.727 -5.208 1.00 0.32 O ATOM 2287 CB TYR B 50 -8.531 -1.735 -3.221 1.00 0.43 C ATOM 2288 CG TYR B 50 -8.101 -1.460 -4.645 1.00 1.19 C ATOM 2289 CD1 TYR B 50 -9.048 -1.122 -5.618 1.00 2.17 C ATOM 2290 CD2 TYR B 50 -6.744 -1.527 -4.987 1.00 1.93 C ATOM 2291 CE1 TYR B 50 -8.639 -0.852 -6.929 1.00 3.03 C ATOM 2292 CE2 TYR B 50 -6.339 -1.259 -6.299 1.00 2.76 C ATOM 2293 CZ TYR B 50 -7.285 -0.921 -7.269 1.00 3.13 C ATOM 2294 OH TYR B 50 -6.883 -0.653 -8.563 1.00 4.11 O ATOM 0 H TYR B 50 -9.065 -3.097 -1.237 1.00 0.33 H new ATOM 0 HA TYR B 50 -10.669 -2.069 -3.337 1.00 0.36 H new ATOM 0 HB2 TYR B 50 -8.761 -0.797 -2.716 1.00 0.43 H new ATOM 0 HB3 TYR B 50 -7.714 -2.201 -2.671 1.00 0.43 H new ATOM 0 HD1 TYR B 50 -10.095 -1.069 -5.357 1.00 2.17 H new ATOM 0 HD2 TYR B 50 -6.010 -1.786 -4.238 1.00 1.93 H new ATOM 0 HE1 TYR B 50 -9.371 -0.590 -7.679 1.00 3.03 H new ATOM 0 HE2 TYR B 50 -5.293 -1.314 -6.562 1.00 2.76 H new ATOM 0 HH TYR B 50 -5.910 -0.745 -8.629 1.00 4.11 H new ATOM 2304 N ASN B 51 -8.591 -4.437 -4.348 1.00 0.32 N ATOM 2305 CA ASN B 51 -8.425 -5.436 -5.435 1.00 0.30 C ATOM 2306 C ASN B 51 -9.736 -6.195 -5.602 1.00 0.29 C ATOM 2307 O ASN B 51 -10.293 -6.277 -6.679 1.00 0.30 O ATOM 2308 CB ASN B 51 -7.313 -6.414 -5.060 1.00 0.31 C ATOM 2309 CG ASN B 51 -7.053 -7.362 -6.233 1.00 0.65 C ATOM 2310 OD1 ASN B 51 -6.055 -7.241 -6.916 1.00 1.41 O ATOM 2311 ND2 ASN B 51 -7.913 -8.307 -6.496 1.00 1.19 N ATOM 0 H ASN B 51 -7.847 -4.424 -3.650 1.00 0.32 H new ATOM 0 HA ASN B 51 -8.163 -4.936 -6.367 1.00 0.30 H new ATOM 0 HB2 ASN B 51 -6.403 -5.869 -4.810 1.00 0.31 H new ATOM 0 HB3 ASN B 51 -7.597 -6.983 -4.175 1.00 0.31 H new ATOM 0 HD21 ASN B 51 -7.748 -8.944 -7.275 1.00 1.19 H new ATOM 0 HD22 ASN B 51 -8.751 -8.408 -5.923 1.00 1.19 H new ATOM 2318 N SER B 52 -10.220 -6.765 -4.540 1.00 0.29 N ATOM 2319 CA SER B 52 -11.484 -7.538 -4.640 1.00 0.31 C ATOM 2320 C SER B 52 -12.607 -6.615 -5.115 1.00 0.29 C ATOM 2321 O SER B 52 -13.449 -7.015 -5.890 1.00 0.33 O ATOM 2322 CB SER B 52 -11.866 -8.133 -3.292 1.00 0.34 C ATOM 2323 OG SER B 52 -10.693 -8.410 -2.543 1.00 0.65 O ATOM 0 H SER B 52 -9.799 -6.730 -3.612 1.00 0.29 H new ATOM 0 HA SER B 52 -11.335 -8.350 -5.352 1.00 0.31 H new ATOM 0 HB2 SER B 52 -12.503 -7.439 -2.744 1.00 0.34 H new ATOM 0 HB3 SER B 52 -12.441 -9.047 -3.437 1.00 0.34 H new ATOM 0 HG SER B 52 -10.413 -7.603 -2.063 1.00 0.65 H new ATOM 2329 N LEU B 53 -12.631 -5.387 -4.662 1.00 0.27 N ATOM 2330 CA LEU B 53 -13.697 -4.439 -5.087 1.00 0.27 C ATOM 2331 C LEU B 53 -13.441 -4.006 -6.529 1.00 0.27 C ATOM 2332 O LEU B 53 -14.352 -3.716 -7.281 1.00 0.30 O ATOM 2333 CB LEU B 53 -13.625 -3.209 -4.171 1.00 0.27 C ATOM 2334 CG LEU B 53 -14.526 -2.079 -4.679 1.00 0.32 C ATOM 2335 CD1 LEU B 53 -15.959 -2.578 -4.875 1.00 0.53 C ATOM 2336 CD2 LEU B 53 -14.526 -0.954 -3.648 1.00 0.38 C ATOM 0 H LEU B 53 -11.949 -5.000 -4.009 1.00 0.27 H new ATOM 0 HA LEU B 53 -14.677 -4.911 -5.022 1.00 0.27 H new ATOM 0 HB2 LEU B 53 -13.924 -3.488 -3.161 1.00 0.27 H new ATOM 0 HB3 LEU B 53 -12.595 -2.857 -4.113 1.00 0.27 H new ATOM 0 HG LEU B 53 -14.146 -1.723 -5.637 1.00 0.32 H new ATOM 0 HD11 LEU B 53 -16.583 -1.760 -5.236 1.00 0.53 H new ATOM 0 HD12 LEU B 53 -15.966 -3.389 -5.604 1.00 0.53 H new ATOM 0 HD13 LEU B 53 -16.351 -2.941 -3.925 1.00 0.53 H new ATOM 0 HD21 LEU B 53 -15.164 -0.141 -3.996 1.00 0.38 H new ATOM 0 HD22 LEU B 53 -14.905 -1.331 -2.698 1.00 0.38 H new ATOM 0 HD23 LEU B 53 -13.509 -0.585 -3.512 1.00 0.38 H new ATOM 2348 N LYS B 54 -12.217 -4.027 -6.953 1.00 0.28 N ATOM 2349 CA LYS B 54 -11.930 -3.659 -8.357 1.00 0.32 C ATOM 2350 C LYS B 54 -12.366 -4.829 -9.210 1.00 0.34 C ATOM 2351 O LYS B 54 -13.113 -4.710 -10.162 1.00 0.36 O ATOM 2352 CB LYS B 54 -10.425 -3.449 -8.516 1.00 0.34 C ATOM 2353 CG LYS B 54 -10.131 -2.689 -9.809 1.00 0.96 C ATOM 2354 CD LYS B 54 -9.583 -3.626 -10.889 1.00 0.49 C ATOM 2355 CE LYS B 54 -9.023 -2.785 -12.038 1.00 0.49 C ATOM 2356 NZ LYS B 54 -9.391 -3.413 -13.339 1.00 0.99 N ATOM 0 H LYS B 54 -11.405 -4.282 -6.391 1.00 0.28 H new ATOM 0 HA LYS B 54 -12.449 -2.745 -8.647 1.00 0.32 H new ATOM 0 HB2 LYS B 54 -10.036 -2.893 -7.663 1.00 0.34 H new ATOM 0 HB3 LYS B 54 -9.915 -4.412 -8.528 1.00 0.34 H new ATOM 0 HG2 LYS B 54 -11.042 -2.210 -10.168 1.00 0.96 H new ATOM 0 HG3 LYS B 54 -9.410 -1.896 -9.612 1.00 0.96 H new ATOM 0 HD2 LYS B 54 -8.803 -4.264 -10.474 1.00 0.49 H new ATOM 0 HD3 LYS B 54 -10.372 -4.284 -11.253 1.00 0.49 H new ATOM 0 HE2 LYS B 54 -9.419 -1.771 -11.987 1.00 0.49 H new ATOM 0 HE3 LYS B 54 -7.939 -2.709 -11.952 1.00 0.49 H new ATOM 0 HZ1 LYS B 54 -8.545 -3.837 -13.771 1.00 0.99 H new ATOM 0 HZ2 LYS B 54 -10.105 -4.152 -13.178 1.00 0.99 H new ATOM 0 HZ3 LYS B 54 -9.780 -2.689 -13.976 1.00 0.99 H new ATOM 2370 N ASP B 55 -11.898 -5.965 -8.822 1.00 0.41 N ATOM 2371 CA ASP B 55 -12.242 -7.232 -9.509 1.00 0.47 C ATOM 2372 C ASP B 55 -13.730 -7.243 -9.840 1.00 0.47 C ATOM 2373 O ASP B 55 -14.185 -8.022 -10.655 1.00 0.52 O ATOM 2374 CB ASP B 55 -11.960 -8.391 -8.553 1.00 0.51 C ATOM 2375 CG ASP B 55 -10.677 -9.113 -8.964 1.00 0.66 C ATOM 2376 OD1 ASP B 55 -9.803 -8.465 -9.515 1.00 1.46 O ATOM 2377 OD2 ASP B 55 -10.590 -10.305 -8.720 1.00 1.23 O ATOM 0 H ASP B 55 -11.267 -6.077 -8.028 1.00 0.41 H new ATOM 0 HA ASP B 55 -11.656 -7.326 -10.423 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -11.865 -8.017 -7.534 1.00 0.51 H new ATOM 0 HB3 ASP B 55 -12.797 -9.089 -8.559 1.00 0.51 H new ATOM 2382 N ARG B 56 -14.502 -6.407 -9.203 1.00 0.42 N ATOM 2383 CA ARG B 56 -15.958 -6.415 -9.480 1.00 0.44 C ATOM 2384 C ARG B 56 -16.220 -5.888 -10.885 1.00 0.43 C ATOM 2385 O ARG B 56 -17.086 -6.382 -11.579 1.00 0.51 O ATOM 2386 CB ARG B 56 -16.687 -5.550 -8.451 1.00 0.54 C ATOM 2387 CG ARG B 56 -16.197 -5.894 -7.038 1.00 0.50 C ATOM 2388 CD ARG B 56 -16.684 -7.276 -6.611 1.00 0.64 C ATOM 2389 NE ARG B 56 -18.167 -7.361 -6.739 1.00 1.01 N ATOM 2390 CZ ARG B 56 -18.825 -8.258 -6.054 1.00 1.27 C ATOM 2391 NH1 ARG B 56 -18.180 -9.081 -5.273 1.00 1.51 N ATOM 2392 NH2 ARG B 56 -20.124 -8.334 -6.149 1.00 1.71 N ATOM 0 H ARG B 56 -14.189 -5.727 -8.510 1.00 0.42 H new ATOM 0 HA ARG B 56 -16.330 -7.437 -9.410 1.00 0.44 H new ATOM 0 HB2 ARG B 56 -16.510 -4.495 -8.660 1.00 0.54 H new ATOM 0 HB3 ARG B 56 -17.762 -5.713 -8.522 1.00 0.54 H new ATOM 0 HG2 ARG B 56 -15.108 -5.864 -7.010 1.00 0.50 H new ATOM 0 HG3 ARG B 56 -16.555 -5.144 -6.333 1.00 0.50 H new ATOM 0 HD2 ARG B 56 -16.214 -8.042 -7.228 1.00 0.64 H new ATOM 0 HD3 ARG B 56 -16.389 -7.471 -5.580 1.00 0.64 H new ATOM 0 HE ARG B 56 -18.665 -6.722 -7.358 1.00 1.01 H new ATOM 0 HH11 ARG B 56 -17.164 -9.023 -5.198 1.00 1.51 H new ATOM 0 HH12 ARG B 56 -18.692 -9.782 -4.737 1.00 1.51 H new ATOM 0 HH21 ARG B 56 -20.629 -7.692 -6.760 1.00 1.71 H new ATOM 0 HH22 ARG B 56 -20.634 -9.036 -5.613 1.00 1.71 H new ATOM 2406 N LEU B 57 -15.498 -4.892 -11.324 1.00 0.41 N ATOM 2407 CA LEU B 57 -15.769 -4.381 -12.695 1.00 0.48 C ATOM 2408 C LEU B 57 -14.550 -3.687 -13.305 1.00 0.43 C ATOM 2409 O LEU B 57 -14.523 -3.444 -14.493 1.00 0.44 O ATOM 2410 CB LEU B 57 -16.944 -3.405 -12.648 1.00 0.58 C ATOM 2411 CG LEU B 57 -18.136 -4.011 -13.393 1.00 1.20 C ATOM 2412 CD1 LEU B 57 -19.362 -3.119 -13.205 1.00 1.70 C ATOM 2413 CD2 LEU B 57 -17.807 -4.112 -14.885 1.00 1.77 C ATOM 0 H LEU B 57 -14.753 -4.422 -10.809 1.00 0.41 H new ATOM 0 HA LEU B 57 -16.009 -5.236 -13.327 1.00 0.48 H new ATOM 0 HB2 LEU B 57 -17.216 -3.195 -11.614 1.00 0.58 H new ATOM 0 HB3 LEU B 57 -16.661 -2.455 -13.102 1.00 0.58 H new ATOM 0 HG LEU B 57 -18.344 -5.005 -12.996 1.00 1.20 H new ATOM 0 HD11 LEU B 57 -20.211 -3.551 -13.736 1.00 1.70 H new ATOM 0 HD12 LEU B 57 -19.598 -3.044 -12.143 1.00 1.70 H new ATOM 0 HD13 LEU B 57 -19.153 -2.125 -13.602 1.00 1.70 H new ATOM 0 HD21 LEU B 57 -18.655 -4.543 -15.416 1.00 1.77 H new ATOM 0 HD22 LEU B 57 -17.599 -3.118 -15.280 1.00 1.77 H new ATOM 0 HD23 LEU B 57 -16.932 -4.747 -15.022 1.00 1.77 H new ATOM 2425 N GLY B 58 -13.535 -3.374 -12.542 1.00 0.39 N ATOM 2426 CA GLY B 58 -12.347 -2.707 -13.148 1.00 0.36 C ATOM 2427 C GLY B 58 -12.736 -1.332 -13.697 1.00 0.35 C ATOM 2428 O GLY B 58 -12.307 -0.308 -13.202 1.00 0.35 O ATOM 0 H GLY B 58 -13.478 -3.549 -11.539 1.00 0.39 H new ATOM 0 HA2 GLY B 58 -11.561 -2.599 -12.401 1.00 0.36 H new ATOM 0 HA3 GLY B 58 -11.943 -3.326 -13.949 1.00 0.36 H new ATOM 2432 N ASP B 59 -13.533 -1.306 -14.726 1.00 0.40 N ATOM 2433 CA ASP B 59 -13.944 -0.009 -15.329 1.00 0.44 C ATOM 2434 C ASP B 59 -14.867 0.740 -14.372 1.00 0.38 C ATOM 2435 O ASP B 59 -14.827 1.946 -14.284 1.00 0.40 O ATOM 2436 CB ASP B 59 -14.682 -0.275 -16.640 1.00 0.53 C ATOM 2437 CG ASP B 59 -13.969 0.444 -17.785 1.00 0.63 C ATOM 2438 OD1 ASP B 59 -13.608 1.595 -17.602 1.00 1.40 O ATOM 2439 OD2 ASP B 59 -13.796 -0.168 -18.826 1.00 1.11 O ATOM 0 H ASP B 59 -13.921 -2.134 -15.179 1.00 0.40 H new ATOM 0 HA ASP B 59 -13.058 0.597 -15.519 1.00 0.44 H new ATOM 0 HB2 ASP B 59 -14.719 -1.346 -16.837 1.00 0.53 H new ATOM 0 HB3 ASP B 59 -15.713 0.071 -16.566 1.00 0.53 H new ATOM 2444 N GLY B 60 -15.696 0.038 -13.657 1.00 0.34 N ATOM 2445 CA GLY B 60 -16.620 0.719 -12.714 1.00 0.31 C ATOM 2446 C GLY B 60 -15.885 1.019 -11.414 1.00 0.29 C ATOM 2447 O GLY B 60 -16.493 1.196 -10.379 1.00 0.28 O ATOM 0 H GLY B 60 -15.774 -0.979 -13.685 1.00 0.34 H new ATOM 0 HA2 GLY B 60 -16.992 1.643 -13.156 1.00 0.31 H new ATOM 0 HA3 GLY B 60 -17.487 0.088 -12.517 1.00 0.31 H new ATOM 2451 N VAL B 61 -14.582 1.084 -11.452 1.00 0.29 N ATOM 2452 CA VAL B 61 -13.805 1.377 -10.218 1.00 0.28 C ATOM 2453 C VAL B 61 -12.482 2.022 -10.638 1.00 0.30 C ATOM 2454 O VAL B 61 -11.811 1.542 -11.531 1.00 0.46 O ATOM 2455 CB VAL B 61 -13.516 0.075 -9.463 1.00 0.30 C ATOM 2456 CG1 VAL B 61 -12.330 0.288 -8.519 1.00 0.44 C ATOM 2457 CG2 VAL B 61 -14.744 -0.346 -8.647 1.00 0.39 C ATOM 0 H VAL B 61 -14.020 0.945 -12.292 1.00 0.29 H new ATOM 0 HA VAL B 61 -14.370 2.043 -9.566 1.00 0.28 H new ATOM 0 HB VAL B 61 -13.280 -0.709 -10.183 1.00 0.30 H new ATOM 0 HG11 VAL B 61 -12.123 -0.637 -7.981 1.00 0.44 H new ATOM 0 HG12 VAL B 61 -11.452 0.576 -9.097 1.00 0.44 H new ATOM 0 HG13 VAL B 61 -12.570 1.077 -7.806 1.00 0.44 H new ATOM 0 HG21 VAL B 61 -14.527 -1.272 -8.115 1.00 0.39 H new ATOM 0 HG22 VAL B 61 -14.989 0.436 -7.929 1.00 0.39 H new ATOM 0 HG23 VAL B 61 -15.590 -0.502 -9.317 1.00 0.39 H new ATOM 2467 N GLN B 62 -12.132 3.129 -10.038 1.00 0.28 N ATOM 2468 CA GLN B 62 -10.883 3.838 -10.439 1.00 0.30 C ATOM 2469 C GLN B 62 -10.043 4.244 -9.230 1.00 0.29 C ATOM 2470 O GLN B 62 -10.530 4.430 -8.136 1.00 0.27 O ATOM 2471 CB GLN B 62 -11.267 5.108 -11.191 1.00 0.31 C ATOM 2472 CG GLN B 62 -10.992 4.930 -12.680 1.00 0.41 C ATOM 2473 CD GLN B 62 -9.482 4.865 -12.925 1.00 0.56 C ATOM 2474 OE1 GLN B 62 -8.986 3.905 -13.480 1.00 1.26 O ATOM 2475 NE2 GLN B 62 -8.727 5.853 -12.532 1.00 1.42 N ATOM 0 H GLN B 62 -12.659 3.573 -9.286 1.00 0.28 H new ATOM 0 HA GLN B 62 -10.295 3.159 -11.057 1.00 0.30 H new ATOM 0 HB2 GLN B 62 -12.322 5.331 -11.031 1.00 0.31 H new ATOM 0 HB3 GLN B 62 -10.700 5.955 -10.806 1.00 0.31 H new ATOM 0 HG2 GLN B 62 -11.468 4.018 -13.040 1.00 0.41 H new ATOM 0 HG3 GLN B 62 -11.425 5.758 -13.241 1.00 0.41 H new ATOM 0 HE21 GLN B 62 -9.144 6.659 -12.066 1.00 1.42 H new ATOM 0 HE22 GLN B 62 -7.720 5.820 -12.691 1.00 1.42 H new ATOM 2484 N LEU B 63 -8.771 4.401 -9.459 1.00 0.33 N ATOM 2485 CA LEU B 63 -7.825 4.817 -8.388 1.00 0.33 C ATOM 2486 C LEU B 63 -7.655 6.336 -8.453 1.00 0.34 C ATOM 2487 O LEU B 63 -7.200 6.861 -9.450 1.00 0.39 O ATOM 2488 CB LEU B 63 -6.475 4.131 -8.641 1.00 0.36 C ATOM 2489 CG LEU B 63 -5.485 4.418 -7.498 1.00 0.36 C ATOM 2490 CD1 LEU B 63 -4.623 3.178 -7.244 1.00 0.54 C ATOM 2491 CD2 LEU B 63 -4.561 5.585 -7.876 1.00 0.52 C ATOM 0 H LEU B 63 -8.336 4.254 -10.370 1.00 0.33 H new ATOM 0 HA LEU B 63 -8.201 4.534 -7.405 1.00 0.33 H new ATOM 0 HB2 LEU B 63 -6.623 3.055 -8.737 1.00 0.36 H new ATOM 0 HB3 LEU B 63 -6.057 4.481 -9.585 1.00 0.36 H new ATOM 0 HG LEU B 63 -6.052 4.675 -6.603 1.00 0.36 H new ATOM 0 HD11 LEU B 63 -3.922 3.382 -6.435 1.00 0.54 H new ATOM 0 HD12 LEU B 63 -5.263 2.340 -6.967 1.00 0.54 H new ATOM 0 HD13 LEU B 63 -4.069 2.928 -8.149 1.00 0.54 H new ATOM 0 HD21 LEU B 63 -3.866 5.778 -7.059 1.00 0.52 H new ATOM 0 HD22 LEU B 63 -4.002 5.329 -8.776 1.00 0.52 H new ATOM 0 HD23 LEU B 63 -5.159 6.477 -8.062 1.00 0.52 H new ATOM 2503 N VAL B 64 -8.005 7.043 -7.410 1.00 0.33 N ATOM 2504 CA VAL B 64 -7.848 8.531 -7.431 1.00 0.37 C ATOM 2505 C VAL B 64 -6.696 8.945 -6.519 1.00 0.36 C ATOM 2506 O VAL B 64 -6.214 10.058 -6.590 1.00 0.41 O ATOM 2507 CB VAL B 64 -9.118 9.226 -6.943 1.00 0.41 C ATOM 2508 CG1 VAL B 64 -9.834 9.863 -8.134 1.00 1.08 C ATOM 2509 CG2 VAL B 64 -10.033 8.217 -6.244 1.00 1.43 C ATOM 0 H VAL B 64 -8.391 6.658 -6.548 1.00 0.33 H new ATOM 0 HA VAL B 64 -7.647 8.828 -8.460 1.00 0.37 H new ATOM 0 HB VAL B 64 -8.856 10.004 -6.226 1.00 0.41 H new ATOM 0 HG11 VAL B 64 -10.741 10.360 -7.790 1.00 1.08 H new ATOM 0 HG12 VAL B 64 -9.177 10.593 -8.606 1.00 1.08 H new ATOM 0 HG13 VAL B 64 -10.096 9.090 -8.857 1.00 1.08 H new ATOM 0 HG21 VAL B 64 -10.936 8.722 -5.900 1.00 1.43 H new ATOM 0 HG22 VAL B 64 -10.304 7.426 -6.943 1.00 1.43 H new ATOM 0 HG23 VAL B 64 -9.512 7.784 -5.390 1.00 1.43 H new ATOM 2519 N ASN B 65 -6.235 8.070 -5.662 1.00 0.32 N ATOM 2520 CA ASN B 65 -5.107 8.455 -4.769 1.00 0.34 C ATOM 2521 C ASN B 65 -4.699 7.263 -3.902 1.00 0.30 C ATOM 2522 O ASN B 65 -5.500 6.405 -3.596 1.00 0.28 O ATOM 2523 CB ASN B 65 -5.560 9.603 -3.874 1.00 0.36 C ATOM 2524 CG ASN B 65 -4.797 10.876 -4.251 1.00 0.48 C ATOM 2525 OD1 ASN B 65 -5.406 11.813 -4.925 1.00 1.28 O flip ATOM 2526 ND2 ASN B 65 -3.636 11.019 -3.927 1.00 1.09 N flip ATOM 0 H ASN B 65 -6.586 7.120 -5.544 1.00 0.32 H new ATOM 0 HA ASN B 65 -4.252 8.764 -5.371 1.00 0.34 H new ATOM 0 HB2 ASN B 65 -6.633 9.763 -3.984 1.00 0.36 H new ATOM 0 HB3 ASN B 65 -5.381 9.355 -2.828 1.00 0.36 H new ATOM 0 HD21 ASN B 65 -3.160 10.287 -3.400 1.00 1.09 H new ATOM 0 HD22 ASN B 65 -3.137 11.871 -4.182 1.00 1.09 H new ATOM 2533 N VAL B 66 -3.455 7.214 -3.501 1.00 0.29 N ATOM 2534 CA VAL B 66 -2.973 6.087 -2.649 1.00 0.26 C ATOM 2535 C VAL B 66 -1.691 6.521 -1.939 1.00 0.27 C ATOM 2536 O VAL B 66 -0.809 7.099 -2.542 1.00 0.31 O ATOM 2537 CB VAL B 66 -2.652 4.869 -3.523 1.00 0.30 C ATOM 2538 CG1 VAL B 66 -1.978 3.798 -2.665 1.00 0.90 C ATOM 2539 CG2 VAL B 66 -3.933 4.290 -4.128 1.00 0.66 C ATOM 0 H VAL B 66 -2.747 7.912 -3.729 1.00 0.29 H new ATOM 0 HA VAL B 66 -3.747 5.826 -1.927 1.00 0.26 H new ATOM 0 HB VAL B 66 -1.988 5.181 -4.330 1.00 0.30 H new ATOM 0 HG11 VAL B 66 -1.748 2.929 -3.282 1.00 0.90 H new ATOM 0 HG12 VAL B 66 -1.056 4.198 -2.242 1.00 0.90 H new ATOM 0 HG13 VAL B 66 -2.649 3.502 -1.858 1.00 0.90 H new ATOM 0 HG21 VAL B 66 -3.686 3.426 -4.745 1.00 0.66 H new ATOM 0 HG22 VAL B 66 -4.607 3.983 -3.328 1.00 0.66 H new ATOM 0 HG23 VAL B 66 -4.420 5.047 -4.742 1.00 0.66 H new ATOM 2549 N GLN B 67 -1.584 6.259 -0.664 1.00 0.25 N ATOM 2550 CA GLN B 67 -0.358 6.674 0.067 1.00 0.28 C ATOM 2551 C GLN B 67 -0.001 5.663 1.153 1.00 0.25 C ATOM 2552 O GLN B 67 -0.805 4.852 1.571 1.00 0.23 O ATOM 2553 CB GLN B 67 -0.593 8.042 0.710 1.00 0.29 C ATOM 2554 CG GLN B 67 0.751 8.702 1.032 1.00 0.37 C ATOM 2555 CD GLN B 67 0.510 10.124 1.542 1.00 0.64 C ATOM 2556 OE1 GLN B 67 -0.160 10.908 0.899 1.00 1.11 O ATOM 2557 NE2 GLN B 67 1.030 10.493 2.681 1.00 1.44 N ATOM 0 H GLN B 67 -2.288 5.779 -0.103 1.00 0.25 H new ATOM 0 HA GLN B 67 0.467 6.727 -0.643 1.00 0.28 H new ATOM 0 HB2 GLN B 67 -1.168 8.677 0.036 1.00 0.29 H new ATOM 0 HB3 GLN B 67 -1.181 7.930 1.621 1.00 0.29 H new ATOM 0 HG2 GLN B 67 1.284 8.120 1.784 1.00 0.37 H new ATOM 0 HG3 GLN B 67 1.380 8.725 0.142 1.00 0.37 H new ATOM 0 HE21 GLN B 67 1.592 9.836 3.222 1.00 1.44 H new ATOM 0 HE22 GLN B 67 0.874 11.438 3.030 1.00 1.44 H new ATOM 2566 N THR B 68 1.218 5.729 1.606 1.00 0.26 N ATOM 2567 CA THR B 68 1.690 4.802 2.670 1.00 0.26 C ATOM 2568 C THR B 68 2.495 5.601 3.680 1.00 0.25 C ATOM 2569 O THR B 68 3.064 6.624 3.361 1.00 0.33 O ATOM 2570 CB THR B 68 2.595 3.717 2.070 1.00 0.33 C ATOM 2571 OG1 THR B 68 3.305 4.255 0.963 1.00 0.42 O ATOM 2572 CG2 THR B 68 1.765 2.523 1.607 1.00 0.45 C ATOM 0 H THR B 68 1.917 6.396 1.279 1.00 0.26 H new ATOM 0 HA THR B 68 0.830 4.328 3.143 1.00 0.26 H new ATOM 0 HB THR B 68 3.296 3.382 2.835 1.00 0.33 H new ATOM 0 HG1 THR B 68 4.112 4.710 1.282 1.00 0.42 H new ATOM 0 HG21 THR B 68 2.423 1.764 1.185 1.00 0.45 H new ATOM 0 HG22 THR B 68 1.226 2.104 2.456 1.00 0.45 H new ATOM 0 HG23 THR B 68 1.052 2.847 0.849 1.00 0.45 H new ATOM 2580 N GLY B 69 2.569 5.141 4.891 1.00 0.24 N ATOM 2581 CA GLY B 69 3.360 5.859 5.920 1.00 0.28 C ATOM 2582 C GLY B 69 3.286 5.040 7.209 1.00 0.26 C ATOM 2583 O GLY B 69 2.368 4.275 7.397 1.00 0.29 O ATOM 0 H GLY B 69 2.111 4.290 5.216 1.00 0.24 H new ATOM 0 HA2 GLY B 69 4.395 5.974 5.597 1.00 0.28 H new ATOM 0 HA3 GLY B 69 2.963 6.861 6.079 1.00 0.28 H new ATOM 2587 N SER B 70 4.236 5.176 8.086 1.00 0.24 N ATOM 2588 CA SER B 70 4.193 4.408 9.362 1.00 0.25 C ATOM 2589 C SER B 70 3.534 5.275 10.444 1.00 0.29 C ATOM 2590 O SER B 70 3.542 6.486 10.359 1.00 0.31 O ATOM 2591 CB SER B 70 5.612 4.031 9.781 1.00 0.27 C ATOM 2592 OG SER B 70 6.343 5.213 10.083 1.00 0.39 O ATOM 0 H SER B 70 5.045 5.788 7.976 1.00 0.24 H new ATOM 0 HA SER B 70 3.613 3.495 9.227 1.00 0.25 H new ATOM 0 HB2 SER B 70 5.584 3.375 10.651 1.00 0.27 H new ATOM 0 HB3 SER B 70 6.105 3.479 8.981 1.00 0.27 H new ATOM 0 HG SER B 70 7.254 4.974 10.353 1.00 0.39 H new ATOM 2598 N GLU B 71 2.982 4.674 11.473 1.00 0.32 N ATOM 2599 CA GLU B 71 2.339 5.492 12.548 1.00 0.39 C ATOM 2600 C GLU B 71 2.504 4.809 13.894 1.00 0.40 C ATOM 2601 O GLU B 71 2.834 3.645 13.978 1.00 0.37 O ATOM 2602 CB GLU B 71 0.843 5.669 12.269 1.00 0.40 C ATOM 2603 CG GLU B 71 0.133 4.311 12.225 1.00 0.49 C ATOM 2604 CD GLU B 71 -0.465 4.001 13.594 1.00 0.68 C ATOM 2605 OE1 GLU B 71 0.275 3.566 14.451 1.00 1.26 O ATOM 2606 OE2 GLU B 71 -1.657 4.202 13.758 1.00 1.49 O ATOM 0 H GLU B 71 2.949 3.664 11.613 1.00 0.32 H new ATOM 0 HA GLU B 71 2.824 6.468 12.564 1.00 0.39 H new ATOM 0 HB2 GLU B 71 0.396 6.293 13.042 1.00 0.40 H new ATOM 0 HB3 GLU B 71 0.704 6.188 11.321 1.00 0.40 H new ATOM 0 HG2 GLU B 71 -0.652 4.324 11.469 1.00 0.49 H new ATOM 0 HG3 GLU B 71 0.838 3.530 11.940 1.00 0.49 H new ATOM 2613 N VAL B 72 2.273 5.535 14.950 1.00 0.45 N ATOM 2614 CA VAL B 72 2.417 4.945 16.301 1.00 0.49 C ATOM 2615 C VAL B 72 1.082 4.363 16.762 1.00 0.52 C ATOM 2616 O VAL B 72 0.040 4.966 16.606 1.00 0.71 O ATOM 2617 CB VAL B 72 2.892 6.013 17.286 1.00 0.59 C ATOM 2618 CG1 VAL B 72 3.589 5.340 18.471 1.00 0.56 C ATOM 2619 CG2 VAL B 72 3.878 6.949 16.584 1.00 0.87 C ATOM 0 H VAL B 72 1.990 6.515 14.932 1.00 0.45 H new ATOM 0 HA VAL B 72 3.156 4.144 16.263 1.00 0.49 H new ATOM 0 HB VAL B 72 2.035 6.585 17.643 1.00 0.59 H new ATOM 0 HG11 VAL B 72 3.928 6.101 19.174 1.00 0.56 H new ATOM 0 HG12 VAL B 72 2.890 4.670 18.971 1.00 0.56 H new ATOM 0 HG13 VAL B 72 4.446 4.769 18.113 1.00 0.56 H new ATOM 0 HG21 VAL B 72 4.218 7.711 17.285 1.00 0.87 H new ATOM 0 HG22 VAL B 72 4.734 6.375 16.229 1.00 0.87 H new ATOM 0 HG23 VAL B 72 3.385 7.428 15.738 1.00 0.87 H new ATOM 2629 N ARG B 73 1.112 3.193 17.338 1.00 0.47 N ATOM 2630 CA ARG B 73 -0.147 2.561 17.820 1.00 0.50 C ATOM 2631 C ARG B 73 0.177 1.716 19.043 1.00 0.54 C ATOM 2632 O ARG B 73 0.783 0.669 18.942 1.00 0.55 O ATOM 2633 CB ARG B 73 -0.743 1.664 16.732 1.00 0.49 C ATOM 2634 CG ARG B 73 -2.184 2.095 16.453 1.00 0.62 C ATOM 2635 CD ARG B 73 -2.782 1.215 15.352 1.00 0.72 C ATOM 2636 NE ARG B 73 -4.170 0.822 15.729 1.00 0.90 N ATOM 2637 CZ ARG B 73 -5.147 1.680 15.609 1.00 1.40 C ATOM 2638 NH1 ARG B 73 -4.911 2.880 15.156 1.00 2.18 N ATOM 2639 NH2 ARG B 73 -6.362 1.336 15.943 1.00 1.68 N ATOM 0 H ARG B 73 1.958 2.646 17.496 1.00 0.47 H new ATOM 0 HA ARG B 73 -0.871 3.337 18.069 1.00 0.50 H new ATOM 0 HB2 ARG B 73 -0.148 1.733 15.821 1.00 0.49 H new ATOM 0 HB3 ARG B 73 -0.718 0.622 17.050 1.00 0.49 H new ATOM 0 HG2 ARG B 73 -2.781 2.013 17.362 1.00 0.62 H new ATOM 0 HG3 ARG B 73 -2.208 3.141 16.149 1.00 0.62 H new ATOM 0 HD2 ARG B 73 -2.790 1.754 14.405 1.00 0.72 H new ATOM 0 HD3 ARG B 73 -2.167 0.326 15.208 1.00 0.72 H new ATOM 0 HE ARG B 73 -4.356 -0.117 16.081 1.00 0.90 H new ATOM 0 HH11 ARG B 73 -3.962 3.149 14.895 1.00 2.18 H new ATOM 0 HH12 ARG B 73 -5.675 3.549 15.063 1.00 2.18 H new ATOM 0 HH21 ARG B 73 -6.547 0.398 16.297 1.00 1.68 H new ATOM 0 HH22 ARG B 73 -7.126 2.006 15.850 1.00 1.68 H new ATOM 2653 N ASP B 74 -0.209 2.183 20.197 1.00 0.59 N ATOM 2654 CA ASP B 74 0.076 1.441 21.454 1.00 0.65 C ATOM 2655 C ASP B 74 1.521 1.715 21.853 1.00 0.65 C ATOM 2656 O ASP B 74 2.214 0.858 22.365 1.00 0.67 O ATOM 2657 CB ASP B 74 -0.138 -0.058 21.243 1.00 0.66 C ATOM 2658 CG ASP B 74 -0.638 -0.690 22.542 1.00 0.76 C ATOM 2659 OD1 ASP B 74 -0.038 -0.432 23.572 1.00 1.35 O ATOM 2660 OD2 ASP B 74 -1.613 -1.420 22.486 1.00 1.25 O ATOM 0 H ASP B 74 -0.716 3.059 20.323 1.00 0.59 H new ATOM 0 HA ASP B 74 -0.599 1.771 22.244 1.00 0.65 H new ATOM 0 HB2 ASP B 74 -0.860 -0.224 20.444 1.00 0.66 H new ATOM 0 HB3 ASP B 74 0.795 -0.529 20.932 1.00 0.66 H new ATOM 2665 N ARG B 75 1.980 2.914 21.605 1.00 0.64 N ATOM 2666 CA ARG B 75 3.384 3.285 21.943 1.00 0.66 C ATOM 2667 C ARG B 75 4.342 2.449 21.095 1.00 0.60 C ATOM 2668 O ARG B 75 5.448 2.137 21.495 1.00 0.65 O ATOM 2669 CB ARG B 75 3.648 3.075 23.441 1.00 0.75 C ATOM 2670 CG ARG B 75 3.781 4.435 24.134 1.00 0.85 C ATOM 2671 CD ARG B 75 2.458 5.199 24.025 1.00 0.86 C ATOM 2672 NE ARG B 75 2.699 6.525 23.387 1.00 1.19 N ATOM 2673 CZ ARG B 75 3.407 7.428 24.008 1.00 1.81 C ATOM 2674 NH1 ARG B 75 3.903 7.169 25.188 1.00 2.57 N ATOM 2675 NH2 ARG B 75 3.617 8.591 23.454 1.00 2.18 N ATOM 0 H ARG B 75 1.433 3.661 21.177 1.00 0.64 H new ATOM 0 HA ARG B 75 3.546 4.340 21.723 1.00 0.66 H new ATOM 0 HB2 ARG B 75 2.833 2.506 23.888 1.00 0.75 H new ATOM 0 HB3 ARG B 75 4.559 2.493 23.582 1.00 0.75 H new ATOM 0 HG2 ARG B 75 4.047 4.296 25.182 1.00 0.85 H new ATOM 0 HG3 ARG B 75 4.584 5.011 23.675 1.00 0.85 H new ATOM 0 HD2 ARG B 75 1.742 4.625 23.436 1.00 0.86 H new ATOM 0 HD3 ARG B 75 2.021 5.334 25.015 1.00 0.86 H new ATOM 0 HE ARG B 75 2.311 6.726 22.466 1.00 1.19 H new ATOM 0 HH11 ARG B 75 3.737 6.262 25.623 1.00 2.57 H new ATOM 0 HH12 ARG B 75 4.457 7.874 25.674 1.00 2.57 H new ATOM 0 HH21 ARG B 75 3.227 8.795 22.534 1.00 2.18 H new ATOM 0 HH22 ARG B 75 4.171 9.295 23.941 1.00 2.18 H new ATOM 2689 N ARG B 76 3.934 2.110 19.905 1.00 0.50 N ATOM 2690 CA ARG B 76 4.825 1.325 19.013 1.00 0.44 C ATOM 2691 C ARG B 76 4.519 1.673 17.564 1.00 0.40 C ATOM 2692 O ARG B 76 3.419 2.062 17.227 1.00 0.39 O ATOM 2693 CB ARG B 76 4.618 -0.165 19.201 1.00 0.45 C ATOM 2694 CG ARG B 76 5.737 -0.708 20.084 1.00 0.62 C ATOM 2695 CD ARG B 76 5.488 -2.183 20.388 1.00 1.29 C ATOM 2696 NE ARG B 76 6.362 -2.612 21.515 1.00 1.55 N ATOM 2697 CZ ARG B 76 6.043 -3.658 22.227 1.00 2.38 C ATOM 2698 NH1 ARG B 76 4.960 -4.332 21.948 1.00 3.14 N ATOM 2699 NH2 ARG B 76 6.808 -4.032 23.216 1.00 2.85 N ATOM 0 H ARG B 76 3.022 2.343 19.513 1.00 0.50 H new ATOM 0 HA ARG B 76 5.856 1.573 19.264 1.00 0.44 H new ATOM 0 HB2 ARG B 76 3.648 -0.357 19.660 1.00 0.45 H new ATOM 0 HB3 ARG B 76 4.619 -0.671 18.236 1.00 0.45 H new ATOM 0 HG2 ARG B 76 6.698 -0.588 19.584 1.00 0.62 H new ATOM 0 HG3 ARG B 76 5.788 -0.140 21.013 1.00 0.62 H new ATOM 0 HD2 ARG B 76 4.441 -2.340 20.646 1.00 1.29 H new ATOM 0 HD3 ARG B 76 5.693 -2.787 19.504 1.00 1.29 H new ATOM 0 HE ARG B 76 7.210 -2.088 21.730 1.00 1.55 H new ATOM 0 HH11 ARG B 76 4.363 -4.041 21.174 1.00 3.14 H new ATOM 0 HH12 ARG B 76 4.711 -5.150 22.504 1.00 3.14 H new ATOM 0 HH21 ARG B 76 7.655 -3.507 23.432 1.00 2.85 H new ATOM 0 HH22 ARG B 76 6.559 -4.850 23.773 1.00 2.85 H new ATOM 2713 N ARG B 77 5.498 1.576 16.714 1.00 0.38 N ATOM 2714 CA ARG B 77 5.271 1.956 15.293 1.00 0.34 C ATOM 2715 C ARG B 77 4.762 0.795 14.457 1.00 0.30 C ATOM 2716 O ARG B 77 5.194 -0.335 14.580 1.00 0.32 O ATOM 2717 CB ARG B 77 6.549 2.501 14.663 1.00 0.36 C ATOM 2718 CG ARG B 77 6.211 3.771 13.876 1.00 0.47 C ATOM 2719 CD ARG B 77 7.345 4.095 12.907 1.00 0.48 C ATOM 2720 NE ARG B 77 8.632 4.173 13.652 1.00 1.12 N ATOM 2721 CZ ARG B 77 9.762 4.029 13.015 1.00 1.45 C ATOM 2722 NH1 ARG B 77 9.761 3.814 11.728 1.00 1.69 N ATOM 2723 NH2 ARG B 77 10.891 4.101 13.665 1.00 2.39 N ATOM 0 H ARG B 77 6.439 1.253 16.937 1.00 0.38 H new ATOM 0 HA ARG B 77 4.505 2.731 15.303 1.00 0.34 H new ATOM 0 HB2 ARG B 77 7.286 2.721 15.435 1.00 0.36 H new ATOM 0 HB3 ARG B 77 6.992 1.755 14.003 1.00 0.36 H new ATOM 0 HG2 ARG B 77 5.279 3.633 13.327 1.00 0.47 H new ATOM 0 HG3 ARG B 77 6.056 4.604 14.561 1.00 0.47 H new ATOM 0 HD2 ARG B 77 7.406 3.329 12.134 1.00 0.48 H new ATOM 0 HD3 ARG B 77 7.147 5.041 12.403 1.00 0.48 H new ATOM 0 HE ARG B 77 8.630 4.339 14.658 1.00 1.12 H new ATOM 0 HH11 ARG B 77 8.878 3.759 11.221 1.00 1.69 H new ATOM 0 HH12 ARG B 77 10.643 3.701 11.229 1.00 1.69 H new ATOM 0 HH21 ARG B 77 10.890 4.270 14.671 1.00 2.39 H new ATOM 0 HH22 ARG B 77 11.774 3.988 13.167 1.00 2.39 H new ATOM 2737 N ILE B 78 3.816 1.092 13.610 1.00 0.26 N ATOM 2738 CA ILE B 78 3.209 0.066 12.738 1.00 0.23 C ATOM 2739 C ILE B 78 3.028 0.674 11.346 1.00 0.21 C ATOM 2740 O ILE B 78 2.960 1.877 11.187 1.00 0.22 O ATOM 2741 CB ILE B 78 1.837 -0.298 13.320 1.00 0.24 C ATOM 2742 CG1 ILE B 78 1.268 -1.552 12.643 1.00 0.26 C ATOM 2743 CG2 ILE B 78 0.871 0.866 13.117 1.00 0.32 C ATOM 2744 CD1 ILE B 78 0.921 -2.584 13.716 1.00 0.58 C ATOM 0 H ILE B 78 3.433 2.030 13.488 1.00 0.26 H new ATOM 0 HA ILE B 78 3.835 -0.824 12.676 1.00 0.23 H new ATOM 0 HB ILE B 78 1.959 -0.502 14.384 1.00 0.24 H new ATOM 0 HG12 ILE B 78 0.380 -1.297 12.065 1.00 0.26 H new ATOM 0 HG13 ILE B 78 1.995 -1.965 11.944 1.00 0.26 H new ATOM 0 HG21 ILE B 78 -0.103 0.607 13.531 1.00 0.32 H new ATOM 0 HG22 ILE B 78 1.256 1.751 13.623 1.00 0.32 H new ATOM 0 HG23 ILE B 78 0.769 1.073 12.052 1.00 0.32 H new ATOM 0 HD11 ILE B 78 0.516 -3.479 13.243 1.00 0.58 H new ATOM 0 HD12 ILE B 78 1.820 -2.844 14.275 1.00 0.58 H new ATOM 0 HD13 ILE B 78 0.179 -2.166 14.397 1.00 0.58 H new ATOM 2756 N SER B 79 3.008 -0.137 10.337 1.00 0.20 N ATOM 2757 CA SER B 79 2.900 0.397 8.953 1.00 0.19 C ATOM 2758 C SER B 79 1.430 0.612 8.591 1.00 0.20 C ATOM 2759 O SER B 79 0.551 -0.074 9.077 1.00 0.22 O ATOM 2760 CB SER B 79 3.524 -0.615 7.985 1.00 0.22 C ATOM 2761 OG SER B 79 3.855 -1.799 8.699 1.00 0.61 O ATOM 0 H SER B 79 3.062 -1.153 10.407 1.00 0.20 H new ATOM 0 HA SER B 79 3.423 1.351 8.885 1.00 0.19 H new ATOM 0 HB2 SER B 79 2.826 -0.844 7.180 1.00 0.22 H new ATOM 0 HB3 SER B 79 4.416 -0.193 7.523 1.00 0.22 H new ATOM 0 HG SER B 79 4.781 -2.053 8.501 1.00 0.61 H new ATOM 2767 N TYR B 80 1.163 1.573 7.741 1.00 0.23 N ATOM 2768 CA TYR B 80 -0.250 1.845 7.351 1.00 0.29 C ATOM 2769 C TYR B 80 -0.337 2.265 5.891 1.00 0.29 C ATOM 2770 O TYR B 80 0.575 2.844 5.333 1.00 0.27 O ATOM 2771 CB TYR B 80 -0.880 2.915 8.276 1.00 0.41 C ATOM 2772 CG TYR B 80 -0.395 4.321 7.961 1.00 0.94 C ATOM 2773 CD1 TYR B 80 -0.835 4.993 6.809 1.00 1.63 C ATOM 2774 CD2 TYR B 80 0.469 4.971 8.851 1.00 1.88 C ATOM 2775 CE1 TYR B 80 -0.397 6.300 6.550 1.00 2.58 C ATOM 2776 CE2 TYR B 80 0.898 6.278 8.585 1.00 2.80 C ATOM 2777 CZ TYR B 80 0.468 6.937 7.436 1.00 3.04 C ATOM 2778 OH TYR B 80 0.893 8.225 7.180 1.00 4.08 O ATOM 0 H TYR B 80 1.860 2.176 7.304 1.00 0.23 H new ATOM 0 HA TYR B 80 -0.819 0.923 7.469 1.00 0.29 H new ATOM 0 HB2 TYR B 80 -1.965 2.879 8.180 1.00 0.41 H new ATOM 0 HB3 TYR B 80 -0.644 2.677 9.313 1.00 0.41 H new ATOM 0 HD1 TYR B 80 -1.510 4.504 6.123 1.00 1.63 H new ATOM 0 HD2 TYR B 80 0.805 4.464 9.744 1.00 1.88 H new ATOM 0 HE1 TYR B 80 -0.732 6.814 5.661 1.00 2.58 H new ATOM 0 HE2 TYR B 80 1.565 6.776 9.273 1.00 2.80 H new ATOM 0 HH TYR B 80 1.491 8.521 7.898 1.00 4.08 H new ATOM 2788 N ILE B 81 -1.449 1.948 5.273 1.00 0.31 N ATOM 2789 CA ILE B 81 -1.656 2.285 3.839 1.00 0.32 C ATOM 2790 C ILE B 81 -2.942 3.082 3.663 1.00 0.31 C ATOM 2791 O ILE B 81 -3.986 2.733 4.186 1.00 0.31 O ATOM 2792 CB ILE B 81 -1.770 0.998 3.021 1.00 0.35 C ATOM 2793 CG1 ILE B 81 -1.787 1.332 1.527 1.00 0.70 C ATOM 2794 CG2 ILE B 81 -3.073 0.282 3.382 1.00 0.90 C ATOM 2795 CD1 ILE B 81 -2.027 0.053 0.726 1.00 0.69 C ATOM 0 H ILE B 81 -2.231 1.463 5.713 1.00 0.31 H new ATOM 0 HA ILE B 81 -0.807 2.878 3.498 1.00 0.32 H new ATOM 0 HB ILE B 81 -0.917 0.357 3.243 1.00 0.35 H new ATOM 0 HG12 ILE B 81 -2.570 2.060 1.314 1.00 0.70 H new ATOM 0 HG13 ILE B 81 -0.841 1.786 1.233 1.00 0.70 H new ATOM 0 HG21 ILE B 81 -3.157 -0.636 2.800 1.00 0.90 H new ATOM 0 HG22 ILE B 81 -3.073 0.039 4.445 1.00 0.90 H new ATOM 0 HG23 ILE B 81 -3.919 0.932 3.159 1.00 0.90 H new ATOM 0 HD11 ILE B 81 -2.040 0.287 -0.338 1.00 0.69 H new ATOM 0 HD12 ILE B 81 -1.228 -0.660 0.931 1.00 0.69 H new ATOM 0 HD13 ILE B 81 -2.984 -0.382 1.013 1.00 0.69 H new ATOM 2807 N LEU B 82 -2.867 4.136 2.903 1.00 0.30 N ATOM 2808 CA LEU B 82 -4.062 4.972 2.628 1.00 0.29 C ATOM 2809 C LEU B 82 -4.447 4.716 1.179 1.00 0.27 C ATOM 2810 O LEU B 82 -3.646 4.930 0.289 1.00 0.30 O ATOM 2811 CB LEU B 82 -3.699 6.448 2.798 1.00 0.31 C ATOM 2812 CG LEU B 82 -2.790 6.619 4.010 1.00 0.33 C ATOM 2813 CD1 LEU B 82 -2.438 8.099 4.180 1.00 0.34 C ATOM 2814 CD2 LEU B 82 -3.520 6.121 5.262 1.00 0.37 C ATOM 0 H LEU B 82 -2.010 4.458 2.453 1.00 0.30 H new ATOM 0 HA LEU B 82 -4.879 4.730 3.307 1.00 0.29 H new ATOM 0 HB2 LEU B 82 -3.199 6.815 1.902 1.00 0.31 H new ATOM 0 HB3 LEU B 82 -4.604 7.043 2.924 1.00 0.31 H new ATOM 0 HG LEU B 82 -1.875 6.044 3.866 1.00 0.33 H new ATOM 0 HD11 LEU B 82 -1.788 8.221 5.047 1.00 0.34 H new ATOM 0 HD12 LEU B 82 -1.924 8.456 3.288 1.00 0.34 H new ATOM 0 HD13 LEU B 82 -3.351 8.676 4.327 1.00 0.34 H new ATOM 0 HD21 LEU B 82 -2.874 6.241 6.132 1.00 0.37 H new ATOM 0 HD22 LEU B 82 -4.433 6.699 5.405 1.00 0.37 H new ATOM 0 HD23 LEU B 82 -3.773 5.068 5.141 1.00 0.37 H new ATOM 2826 N LEU B 83 -5.634 4.228 0.922 1.00 0.23 N ATOM 2827 CA LEU B 83 -6.012 3.929 -0.487 1.00 0.23 C ATOM 2828 C LEU B 83 -7.303 4.640 -0.870 1.00 0.22 C ATOM 2829 O LEU B 83 -8.328 4.481 -0.236 1.00 0.21 O ATOM 2830 CB LEU B 83 -6.200 2.424 -0.632 1.00 0.25 C ATOM 2831 CG LEU B 83 -6.683 2.105 -2.046 1.00 0.48 C ATOM 2832 CD1 LEU B 83 -5.907 0.909 -2.592 1.00 0.46 C ATOM 2833 CD2 LEU B 83 -8.177 1.774 -2.023 1.00 0.98 C ATOM 0 H LEU B 83 -6.349 4.026 1.621 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.221 4.282 -1.148 1.00 0.23 H new ATOM 0 HB2 LEU B 83 -5.261 1.908 -0.432 1.00 0.25 H new ATOM 0 HB3 LEU B 83 -6.923 2.065 0.100 1.00 0.25 H new ATOM 0 HG LEU B 83 -6.517 2.972 -2.685 1.00 0.48 H new ATOM 0 HD11 LEU B 83 -6.252 0.681 -3.601 1.00 0.46 H new ATOM 0 HD12 LEU B 83 -4.843 1.146 -2.617 1.00 0.46 H new ATOM 0 HD13 LEU B 83 -6.071 0.044 -1.949 1.00 0.46 H new ATOM 0 HD21 LEU B 83 -8.515 1.548 -3.034 1.00 0.98 H new ATOM 0 HD22 LEU B 83 -8.348 0.910 -1.381 1.00 0.98 H new ATOM 0 HD23 LEU B 83 -8.733 2.628 -1.637 1.00 0.98 H new ATOM 2845 N ARG B 84 -7.253 5.406 -1.931 1.00 0.23 N ATOM 2846 CA ARG B 84 -8.468 6.116 -2.394 1.00 0.24 C ATOM 2847 C ARG B 84 -9.077 5.347 -3.562 1.00 0.30 C ATOM 2848 O ARG B 84 -8.466 4.455 -4.112 1.00 0.71 O ATOM 2849 CB ARG B 84 -8.130 7.553 -2.803 1.00 0.29 C ATOM 2850 CG ARG B 84 -9.357 8.439 -2.544 1.00 0.30 C ATOM 2851 CD ARG B 84 -9.051 9.901 -2.866 1.00 0.34 C ATOM 2852 NE ARG B 84 -10.197 10.748 -2.429 1.00 0.41 N ATOM 2853 CZ ARG B 84 -10.163 12.039 -2.612 1.00 0.50 C ATOM 2854 NH1 ARG B 84 -9.125 12.590 -3.179 1.00 0.55 N ATOM 2855 NH2 ARG B 84 -11.167 12.780 -2.230 1.00 0.60 N ATOM 0 H ARG B 84 -6.417 5.566 -2.493 1.00 0.23 H new ATOM 0 HA ARG B 84 -9.192 6.167 -1.581 1.00 0.24 H new ATOM 0 HB2 ARG B 84 -7.274 7.917 -2.234 1.00 0.29 H new ATOM 0 HB3 ARG B 84 -7.852 7.591 -3.856 1.00 0.29 H new ATOM 0 HG2 ARG B 84 -10.194 8.096 -3.153 1.00 0.30 H new ATOM 0 HG3 ARG B 84 -9.663 8.348 -1.502 1.00 0.30 H new ATOM 0 HD2 ARG B 84 -8.138 10.214 -2.360 1.00 0.34 H new ATOM 0 HD3 ARG B 84 -8.880 10.022 -3.936 1.00 0.34 H new ATOM 0 HE ARG B 84 -11.009 10.318 -1.986 1.00 0.41 H new ATOM 0 HH11 ARG B 84 -8.341 12.011 -3.479 1.00 0.55 H new ATOM 0 HH12 ARG B 84 -9.098 13.600 -3.322 1.00 0.55 H new ATOM 0 HH21 ARG B 84 -11.979 12.350 -1.788 1.00 0.60 H new ATOM 0 HH22 ARG B 84 -11.139 13.789 -2.374 1.00 0.60 H new ATOM 2869 N LEU B 85 -10.274 5.685 -3.943 1.00 0.31 N ATOM 2870 CA LEU B 85 -10.916 4.958 -5.081 1.00 0.28 C ATOM 2871 C LEU B 85 -12.034 5.794 -5.682 1.00 0.27 C ATOM 2872 O LEU B 85 -12.828 6.354 -4.973 1.00 0.29 O ATOM 2873 CB LEU B 85 -11.509 3.647 -4.571 1.00 0.29 C ATOM 2874 CG LEU B 85 -11.389 2.555 -5.639 1.00 0.56 C ATOM 2875 CD1 LEU B 85 -9.994 1.926 -5.594 1.00 1.44 C ATOM 2876 CD2 LEU B 85 -12.435 1.472 -5.370 1.00 0.93 C ATOM 0 H LEU B 85 -10.836 6.426 -3.523 1.00 0.31 H new ATOM 0 HA LEU B 85 -10.160 4.765 -5.842 1.00 0.28 H new ATOM 0 HB2 LEU B 85 -10.992 3.335 -3.664 1.00 0.29 H new ATOM 0 HB3 LEU B 85 -12.556 3.793 -4.307 1.00 0.29 H new ATOM 0 HG LEU B 85 -11.551 2.997 -6.622 1.00 0.56 H new ATOM 0 HD11 LEU B 85 -9.919 1.151 -6.357 1.00 1.44 H new ATOM 0 HD12 LEU B 85 -9.243 2.693 -5.781 1.00 1.44 H new ATOM 0 HD13 LEU B 85 -9.825 1.485 -4.612 1.00 1.44 H new ATOM 0 HD21 LEU B 85 -12.354 0.692 -6.127 1.00 0.93 H new ATOM 0 HD22 LEU B 85 -12.266 1.039 -4.384 1.00 0.93 H new ATOM 0 HD23 LEU B 85 -13.432 1.912 -5.407 1.00 0.93 H new ATOM 2888 N LYS B 86 -12.107 5.851 -6.984 1.00 0.31 N ATOM 2889 CA LYS B 86 -13.190 6.632 -7.659 1.00 0.33 C ATOM 2890 C LYS B 86 -14.051 5.683 -8.496 1.00 0.30 C ATOM 2891 O LYS B 86 -13.552 4.759 -9.095 1.00 0.34 O ATOM 2892 CB LYS B 86 -12.562 7.681 -8.570 1.00 0.39 C ATOM 2893 CG LYS B 86 -13.651 8.441 -9.334 1.00 0.41 C ATOM 2894 CD LYS B 86 -13.743 7.935 -10.777 1.00 0.41 C ATOM 2895 CE LYS B 86 -14.655 8.863 -11.583 1.00 0.51 C ATOM 2896 NZ LYS B 86 -13.854 9.568 -12.623 1.00 1.31 N ATOM 0 H LYS B 86 -11.457 5.386 -7.618 1.00 0.31 H new ATOM 0 HA LYS B 86 -13.810 7.123 -6.909 1.00 0.33 H new ATOM 0 HB2 LYS B 86 -11.969 8.378 -7.978 1.00 0.39 H new ATOM 0 HB3 LYS B 86 -11.882 7.201 -9.274 1.00 0.39 H new ATOM 0 HG2 LYS B 86 -14.611 8.312 -8.835 1.00 0.41 H new ATOM 0 HG3 LYS B 86 -13.430 9.508 -9.330 1.00 0.41 H new ATOM 0 HD2 LYS B 86 -12.751 7.902 -11.227 1.00 0.41 H new ATOM 0 HD3 LYS B 86 -14.135 6.918 -10.793 1.00 0.41 H new ATOM 0 HE2 LYS B 86 -15.454 8.288 -12.052 1.00 0.51 H new ATOM 0 HE3 LYS B 86 -15.130 9.588 -10.922 1.00 0.51 H new ATOM 0 HZ1 LYS B 86 -14.474 10.198 -13.170 1.00 1.31 H new ATOM 0 HZ2 LYS B 86 -13.107 10.129 -12.165 1.00 1.31 H new ATOM 0 HZ3 LYS B 86 -13.421 8.870 -13.260 1.00 1.31 H new ATOM 2910 N ARG B 87 -15.337 5.910 -8.548 1.00 0.28 N ATOM 2911 CA ARG B 87 -16.219 5.013 -9.361 1.00 0.27 C ATOM 2912 C ARG B 87 -16.545 5.673 -10.696 1.00 0.28 C ATOM 2913 O ARG B 87 -16.785 6.862 -10.773 1.00 0.32 O ATOM 2914 CB ARG B 87 -17.522 4.731 -8.611 1.00 0.29 C ATOM 2915 CG ARG B 87 -17.213 4.053 -7.272 1.00 0.61 C ATOM 2916 CD ARG B 87 -16.612 2.663 -7.514 1.00 0.42 C ATOM 2917 NE ARG B 87 -16.816 1.819 -6.302 1.00 0.48 N ATOM 2918 CZ ARG B 87 -17.952 1.203 -6.118 1.00 0.81 C ATOM 2919 NH1 ARG B 87 -18.913 1.327 -6.992 1.00 1.64 N ATOM 2920 NH2 ARG B 87 -18.127 0.464 -5.057 1.00 0.87 N ATOM 0 H ARG B 87 -15.815 6.672 -8.067 1.00 0.28 H new ATOM 0 HA ARG B 87 -15.691 4.075 -9.535 1.00 0.27 H new ATOM 0 HB2 ARG B 87 -18.064 5.662 -8.442 1.00 0.29 H new ATOM 0 HB3 ARG B 87 -18.168 4.091 -9.213 1.00 0.29 H new ATOM 0 HG2 ARG B 87 -16.517 4.664 -6.698 1.00 0.61 H new ATOM 0 HG3 ARG B 87 -18.124 3.966 -6.680 1.00 0.61 H new ATOM 0 HD2 ARG B 87 -17.083 2.196 -8.379 1.00 0.42 H new ATOM 0 HD3 ARG B 87 -15.548 2.748 -7.737 1.00 0.42 H new ATOM 0 HE ARG B 87 -16.067 1.723 -5.616 1.00 0.48 H new ATOM 0 HH11 ARG B 87 -18.777 1.906 -7.821 1.00 1.64 H new ATOM 0 HH12 ARG B 87 -19.800 0.845 -6.847 1.00 1.64 H new ATOM 0 HH21 ARG B 87 -17.377 0.368 -4.373 1.00 0.87 H new ATOM 0 HH22 ARG B 87 -19.014 -0.018 -4.912 1.00 0.87 H new ATOM 2934 N VAL B 88 -16.565 4.892 -11.741 1.00 0.28 N ATOM 2935 CA VAL B 88 -16.887 5.433 -13.098 1.00 0.32 C ATOM 2936 C VAL B 88 -18.142 4.735 -13.617 1.00 0.34 C ATOM 2937 O VAL B 88 -18.689 5.091 -14.642 1.00 0.39 O ATOM 2938 CB VAL B 88 -15.725 5.153 -14.056 1.00 0.34 C ATOM 2939 CG1 VAL B 88 -15.970 5.864 -15.389 1.00 0.49 C ATOM 2940 CG2 VAL B 88 -14.409 5.654 -13.451 1.00 0.68 C ATOM 0 H VAL B 88 -16.370 3.891 -11.715 1.00 0.28 H new ATOM 0 HA VAL B 88 -17.050 6.509 -13.036 1.00 0.32 H new ATOM 0 HB VAL B 88 -15.659 4.078 -14.221 1.00 0.34 H new ATOM 0 HG11 VAL B 88 -15.141 5.662 -16.067 1.00 0.49 H new ATOM 0 HG12 VAL B 88 -16.897 5.499 -15.831 1.00 0.49 H new ATOM 0 HG13 VAL B 88 -16.047 6.938 -15.220 1.00 0.49 H new ATOM 0 HG21 VAL B 88 -13.590 5.449 -14.141 1.00 0.68 H new ATOM 0 HG22 VAL B 88 -14.475 6.728 -13.274 1.00 0.68 H new ATOM 0 HG23 VAL B 88 -14.224 5.142 -12.507 1.00 0.68 H new ATOM 2950 N TYR B 89 -18.605 3.746 -12.907 1.00 0.33 N ATOM 2951 CA TYR B 89 -19.831 3.026 -13.345 1.00 0.39 C ATOM 2952 C TYR B 89 -20.247 2.024 -12.267 1.00 0.50 C ATOM 2953 O TYR B 89 -19.701 2.094 -11.179 1.00 1.12 O ATOM 2954 CB TYR B 89 -19.549 2.283 -14.652 1.00 0.41 C ATOM 2955 CG TYR B 89 -20.563 2.695 -15.693 1.00 0.54 C ATOM 2956 CD1 TYR B 89 -21.888 2.254 -15.592 1.00 1.13 C ATOM 2957 CD2 TYR B 89 -20.179 3.519 -16.758 1.00 1.47 C ATOM 2958 CE1 TYR B 89 -22.829 2.636 -16.555 1.00 1.27 C ATOM 2959 CE2 TYR B 89 -21.120 3.903 -17.721 1.00 1.77 C ATOM 2960 CZ TYR B 89 -22.445 3.461 -17.619 1.00 1.26 C ATOM 2961 OH TYR B 89 -23.373 3.839 -18.568 1.00 1.66 O ATOM 2962 OXT TYR B 89 -21.106 1.204 -12.547 1.00 1.01 O ATOM 0 H TYR B 89 -18.187 3.405 -12.041 1.00 0.33 H new ATOM 0 HA TYR B 89 -20.636 3.744 -13.503 1.00 0.39 H new ATOM 0 HB2 TYR B 89 -18.541 2.508 -15.001 1.00 0.41 H new ATOM 0 HB3 TYR B 89 -19.596 1.206 -14.489 1.00 0.41 H new ATOM 0 HD1 TYR B 89 -22.184 1.619 -14.770 1.00 1.13 H new ATOM 0 HD2 TYR B 89 -19.157 3.858 -16.837 1.00 1.47 H new ATOM 0 HE1 TYR B 89 -23.851 2.295 -16.477 1.00 1.27 H new ATOM 0 HE2 TYR B 89 -20.824 4.540 -18.542 1.00 1.77 H new ATOM 0 HH TYR B 89 -22.943 4.412 -19.236 1.00 1.66 H new