USER MOD reduce.3.24.130724 H: found=0, std=0, add=1450, rem=0, adj=55 USER MOD reduce.3.24.130724 removed 1453 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 88 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 1 MET CE :methyl -120:sc= -1.63 (180deg=-5.02!) USER MOD Set 2.1: B 75 TYR OH : rot -6:sc= -5.37! USER MOD Set 2.2: B 77 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 68 HIS : no HD1:sc= -3.79! C(o=-3.5!,f=-7.4!) USER MOD Set 3.2: D 4 THR OG1 : rot -81:sc= 0.341 USER MOD Set 4.1: A 67 THR OG1 : rot 146:sc= 0.782 USER MOD Set 4.2: B 43 LYS NZ :NH3+ 137:sc= -2.42 (180deg=-5.33!) USER MOD Set 5.1: B 41 HIS : no HD1:sc= -7.95! C(o=-9!,f=-13!) USER MOD Set 5.2: B 44 LYS NZ :NH3+ -172:sc= -1.1 (180deg=-1.2) USER MOD Set 6.1: B 36 LYS NZ :NH3+ -172:sc=-0.00279 (180deg=-0.0705) USER MOD Set 6.2: C 7 GLN : amide:sc= 0 X(o=-0.0028,f=-0.071) USER MOD Set 7.1: B 14 SER OG : rot 180:sc= 0 USER MOD Set 7.2: B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 8.1: B 13 MET CE :methyl 149:sc= -4.19! (180deg=-4.91!) USER MOD Set 8.2: B 72 HIS : no HD1:sc= -8.57! C(o=-13!,f=-15!) USER MOD Set 9.1: A 53 THR OG1 : rot -110:sc= -0.313 USER MOD Set 9.2: B 67 THR OG1 : rot 180:sc= 0 USER MOD Set10.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set10.2: A 17 MET CE :methyl -139:sc= 0 (180deg=-0.652) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.3) USER MOD Single : A 13 MET CE :methyl 140:sc= -1.67! (180deg=-5.15!) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.91 F(o=-3!,f=-1.9) USER MOD Single : A 19 GLN : amide:sc= -1.04 K(o=-1,f=-3.3!) USER MOD Single : A 21 SER OG : rot -27:sc= -0.837! USER MOD Single : A 24 CYS SG : rot 78:sc= -0.726 USER MOD Single : A 26 THR OG1 : rot 70:sc= 1.06 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0962 (180deg=-0.478) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3.3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -4.47! C(o=-4.5!,f=-7.3!) USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= 0.354 (180deg=-0.055) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= -2.57! (180deg=-5.02!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.87 X(o=-1.9,f=-1.5) USER MOD Single : A 55 HIS :FLIP no HE2:sc= -4.21! C(o=-4.9!,f=-4.2!) USER MOD Single : A 56 CYS SG : rot 178:sc= -1.01 USER MOD Single : A 61 ASN : amide:sc= -1.97 X(o=-2,f=-2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 68 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-4!) USER MOD Single : A 70 THR OG1 : rot -66:sc= 0.95 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -6.13! C(o=-6.1!,f=-7.7!) USER MOD Single : A 75 TYR OH : rot 180:sc= -2.53! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.3!) USER MOD Single : A 87 LYS NZ :NH3+ -106:sc= -2.72! (180deg=-4.36!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN :FLIP amide:sc= -0.0459 F(o=-1.9!,f=-0.046) USER MOD Single : B 18 GLN :FLIP amide:sc= -2.02 F(o=-3.5!,f=-2) USER MOD Single : B 19 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.3) USER MOD Single : B 21 SER OG : rot -170:sc= -0.0168 USER MOD Single : B 24 CYS SG : rot 81:sc= -0.0858 USER MOD Single : B 26 THR OG1 : rot 68:sc= 1.07 USER MOD Single : B 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 138:sc= -2.75 (180deg=-5.53!) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.55) USER MOD Single : B 48 LYS NZ :NH3+ 171:sc= -0.0073 (180deg=-0.123) USER MOD Single : B 49 LYS NZ :NH3+ 134:sc= -0.133 (180deg=-1.55) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : B 53 THR OG1 : rot -130:sc= 0 USER MOD Single : B 55 HIS : no HE2:sc= -2.68 K(o=-2.7,f=-4.1!) USER MOD Single : B 56 CYS SG : rot 32:sc= -2.48 USER MOD Single : B 61 ASN : amide:sc= -0.748 K(o=-0.75,f=-1.5!) USER MOD Single : B 64 SER OG : rot 180:sc= -1.72 USER MOD Single : B 65 TYR OH : rot 180:sc= 0 USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 87 LYS NZ :NH3+ -127:sc= 0.356 (180deg=0) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : C 1 MET N :NH3+ -162:sc= -0.0642 (180deg=-0.658) USER MOD Single : C 2 LYS NZ :NH3+ -164:sc= -0.038 (180deg=-0.321) USER MOD Single : C 4 THR OG1 : rot 135:sc= 0.82 USER MOD Single : D 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 -13.145 -4.975 -13.980 1.00 0.00 N ATOM 90 CA ALA A 6 -12.291 -5.282 -12.831 1.00 0.00 C ATOM 91 C ALA A 6 -12.596 -6.655 -12.242 1.00 0.00 C ATOM 92 O ALA A 6 -13.753 -6.989 -11.986 1.00 0.00 O ATOM 93 CB ALA A 6 -12.461 -4.216 -11.761 1.00 0.00 C ATOM 0 HA ALA A 6 -11.259 -5.294 -13.183 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.823 -4.451 -10.909 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.181 -3.244 -12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.502 -4.188 -11.438 1.00 0.00 H new ATOM 99 N VAL A 7 -11.550 -7.451 -12.029 1.00 0.00 N ATOM 100 CA VAL A 7 -11.708 -8.780 -11.476 1.00 0.00 C ATOM 101 C VAL A 7 -11.377 -8.815 -9.988 1.00 0.00 C ATOM 102 O VAL A 7 -10.407 -8.209 -9.540 1.00 0.00 O ATOM 103 CB VAL A 7 -10.821 -9.791 -12.205 1.00 0.00 C ATOM 104 CG1 VAL A 7 -11.289 -9.982 -13.640 1.00 0.00 C ATOM 105 CG2 VAL A 7 -9.363 -9.355 -12.167 1.00 0.00 C ATOM 0 H VAL A 7 -10.585 -7.191 -12.234 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.755 -9.050 -11.612 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.903 -10.748 -11.690 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.644 -10.705 -14.140 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.315 -10.349 -13.642 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.243 -9.029 -14.168 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.750 -10.088 -12.691 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.261 -8.384 -12.652 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.033 -9.280 -11.131 1.00 0.00 H new ATOM 115 N ILE A 8 -12.191 -9.544 -9.235 1.00 0.00 N ATOM 116 CA ILE A 8 -11.997 -9.680 -7.795 1.00 0.00 C ATOM 117 C ILE A 8 -11.299 -10.998 -7.472 1.00 0.00 C ATOM 118 O ILE A 8 -11.490 -11.994 -8.170 1.00 0.00 O ATOM 119 CB ILE A 8 -13.336 -9.609 -7.027 1.00 0.00 C ATOM 120 CG1 ILE A 8 -14.030 -8.267 -7.274 1.00 0.00 C ATOM 121 CG2 ILE A 8 -13.112 -9.819 -5.535 1.00 0.00 C ATOM 122 CD1 ILE A 8 -14.466 -8.059 -8.708 1.00 0.00 C ATOM 0 H ILE A 8 -12.996 -10.053 -9.599 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.373 -8.846 -7.475 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.981 -10.406 -7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.903 -8.195 -6.625 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.354 -7.461 -6.989 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -14.067 -9.765 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.662 -10.798 -5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.446 -9.044 -5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.949 -7.087 -8.804 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.595 -8.097 -9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.168 -8.843 -8.992 1.00 0.00 H new ATOM 134 N LYS A 9 -10.487 -11.002 -6.418 1.00 0.00 N ATOM 135 CA LYS A 9 -9.766 -12.208 -6.025 1.00 0.00 C ATOM 136 C LYS A 9 -9.707 -12.363 -4.508 1.00 0.00 C ATOM 137 O LYS A 9 -9.976 -13.442 -3.981 1.00 0.00 O ATOM 138 CB LYS A 9 -8.347 -12.186 -6.599 1.00 0.00 C ATOM 139 CG LYS A 9 -8.305 -12.222 -8.118 1.00 0.00 C ATOM 140 CD LYS A 9 -8.926 -13.499 -8.664 1.00 0.00 C ATOM 141 CE LYS A 9 -8.192 -14.735 -8.170 1.00 0.00 C ATOM 142 NZ LYS A 9 -8.786 -15.987 -8.714 1.00 0.00 N ATOM 0 H LYS A 9 -10.313 -10.190 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.310 -13.062 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.837 -11.288 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.793 -13.039 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.836 -11.358 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.272 -12.145 -8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.972 -13.552 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.908 -13.476 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.143 -14.675 -8.460 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.220 -14.763 -7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.257 -16.807 -8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.780 -16.058 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.736 -15.972 -9.753 1.00 0.00 H new ATOM 156 N ASN A 10 -9.350 -11.292 -3.805 1.00 0.00 N ATOM 157 CA ASN A 10 -9.259 -11.345 -2.347 1.00 0.00 C ATOM 158 C ASN A 10 -10.462 -10.674 -1.694 1.00 0.00 C ATOM 159 O ASN A 10 -10.311 -9.851 -0.792 1.00 0.00 O ATOM 160 CB ASN A 10 -7.967 -10.684 -1.859 1.00 0.00 C ATOM 161 CG ASN A 10 -6.736 -11.256 -2.533 1.00 0.00 C ATOM 162 OD1 ASN A 10 -6.601 -11.201 -3.755 1.00 0.00 O ATOM 163 ND2 ASN A 10 -5.827 -11.807 -1.736 1.00 0.00 N ATOM 0 H ASN A 10 -9.121 -10.386 -4.214 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.250 -12.396 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.017 -9.612 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.881 -10.814 -0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.976 -12.206 -2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.980 -11.831 -0.728 1.00 0.00 H new ATOM 170 N ALA A 11 -11.656 -11.032 -2.149 1.00 0.00 N ATOM 171 CA ALA A 11 -12.876 -10.460 -1.598 1.00 0.00 C ATOM 172 C ALA A 11 -13.013 -10.799 -0.116 1.00 0.00 C ATOM 173 O ALA A 11 -12.912 -11.962 0.276 1.00 0.00 O ATOM 174 CB ALA A 11 -14.090 -10.954 -2.371 1.00 0.00 C ATOM 0 H ALA A 11 -11.805 -11.712 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.819 -9.376 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.994 -10.517 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.001 -10.659 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.146 -12.041 -2.304 1.00 0.00 H new ATOM 180 N ASP A 12 -13.243 -9.776 0.699 1.00 0.00 N ATOM 181 CA ASP A 12 -13.392 -9.957 2.140 1.00 0.00 C ATOM 182 C ASP A 12 -14.244 -8.838 2.731 1.00 0.00 C ATOM 183 O ASP A 12 -13.798 -8.100 3.609 1.00 0.00 O ATOM 184 CB ASP A 12 -12.026 -9.991 2.834 1.00 0.00 C ATOM 185 CG ASP A 12 -11.171 -11.167 2.404 1.00 0.00 C ATOM 186 OD1 ASP A 12 -10.758 -11.205 1.226 1.00 0.00 O ATOM 187 OD2 ASP A 12 -10.915 -12.052 3.247 1.00 0.00 O ATOM 0 H ASP A 12 -13.331 -8.809 0.386 1.00 0.00 H new ATOM 0 HA ASP A 12 -13.889 -10.912 2.308 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.493 -9.064 2.620 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.174 -10.032 3.913 1.00 0.00 H new ATOM 192 N MET A 13 -15.472 -8.716 2.236 1.00 0.00 N ATOM 193 CA MET A 13 -16.389 -7.685 2.708 1.00 0.00 C ATOM 194 C MET A 13 -17.739 -7.797 2.006 1.00 0.00 C ATOM 195 O MET A 13 -17.842 -8.389 0.931 1.00 0.00 O ATOM 196 CB MET A 13 -15.788 -6.295 2.484 1.00 0.00 C ATOM 197 CG MET A 13 -16.678 -5.162 2.963 1.00 0.00 C ATOM 198 SD MET A 13 -15.872 -3.553 2.865 1.00 0.00 S ATOM 199 CE MET A 13 -15.519 -3.451 1.112 1.00 0.00 C ATOM 0 H MET A 13 -15.855 -9.319 1.508 1.00 0.00 H new ATOM 0 HA MET A 13 -16.546 -7.832 3.777 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.830 -6.236 3.000 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.587 -6.163 1.421 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.589 -5.144 2.365 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.977 -5.352 3.994 1.00 0.00 H new ATOM 0 HE1 MET A 13 -15.705 -2.436 0.762 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.475 -3.710 0.935 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.162 -4.145 0.570 1.00 0.00 H new ATOM 209 N SER A 14 -18.774 -7.236 2.631 1.00 0.00 N ATOM 210 CA SER A 14 -20.135 -7.273 2.085 1.00 0.00 C ATOM 211 C SER A 14 -20.144 -7.104 0.565 1.00 0.00 C ATOM 212 O SER A 14 -19.378 -6.316 0.013 1.00 0.00 O ATOM 213 CB SER A 14 -20.991 -6.182 2.731 1.00 0.00 C ATOM 214 OG SER A 14 -21.081 -6.367 4.133 1.00 0.00 O ATOM 0 H SER A 14 -18.697 -6.747 3.523 1.00 0.00 H new ATOM 0 HA SER A 14 -20.553 -8.253 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 14 -20.561 -5.204 2.517 1.00 0.00 H new ATOM 0 HB3 SER A 14 -21.990 -6.193 2.295 1.00 0.00 H new ATOM 0 HG SER A 14 -21.632 -5.656 4.522 1.00 0.00 H new ATOM 220 N GLU A 15 -21.015 -7.863 -0.101 1.00 0.00 N ATOM 221 CA GLU A 15 -21.131 -7.820 -1.558 1.00 0.00 C ATOM 222 C GLU A 15 -21.310 -6.398 -2.070 1.00 0.00 C ATOM 223 O GLU A 15 -20.628 -5.973 -3.002 1.00 0.00 O ATOM 224 CB GLU A 15 -22.305 -8.688 -2.017 1.00 0.00 C ATOM 225 CG GLU A 15 -22.169 -10.151 -1.627 1.00 0.00 C ATOM 226 CD GLU A 15 -23.342 -10.990 -2.095 1.00 0.00 C ATOM 227 OE1 GLU A 15 -23.578 -11.048 -3.321 1.00 0.00 O ATOM 228 OE2 GLU A 15 -24.024 -11.589 -1.238 1.00 0.00 O ATOM 0 H GLU A 15 -21.654 -8.518 0.349 1.00 0.00 H new ATOM 0 HA GLU A 15 -20.202 -8.210 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.227 -8.292 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.397 -8.617 -3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.248 -10.552 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -22.081 -10.228 -0.543 1.00 0.00 H new ATOM 235 N GLU A 16 -22.232 -5.668 -1.463 1.00 0.00 N ATOM 236 CA GLU A 16 -22.500 -4.294 -1.867 1.00 0.00 C ATOM 237 C GLU A 16 -21.258 -3.427 -1.706 1.00 0.00 C ATOM 238 O GLU A 16 -20.941 -2.613 -2.573 1.00 0.00 O ATOM 239 CB GLU A 16 -23.653 -3.713 -1.045 1.00 0.00 C ATOM 240 CG GLU A 16 -23.381 -3.691 0.450 1.00 0.00 C ATOM 241 CD GLU A 16 -24.535 -3.111 1.243 1.00 0.00 C ATOM 242 OE1 GLU A 16 -24.888 -1.935 1.008 1.00 0.00 O ATOM 243 OE2 GLU A 16 -25.087 -3.830 2.102 1.00 0.00 O ATOM 0 H GLU A 16 -22.807 -6.002 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 16 -22.782 -4.301 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -23.855 -2.697 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -24.554 -4.297 -1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -23.182 -4.706 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -22.482 -3.106 0.644 1.00 0.00 H new ATOM 250 N MET A 17 -20.557 -3.606 -0.594 1.00 0.00 N ATOM 251 CA MET A 17 -19.350 -2.839 -0.324 1.00 0.00 C ATOM 252 C MET A 17 -18.293 -3.087 -1.392 1.00 0.00 C ATOM 253 O MET A 17 -17.728 -2.146 -1.950 1.00 0.00 O ATOM 254 CB MET A 17 -18.798 -3.190 1.057 1.00 0.00 C ATOM 255 CG MET A 17 -19.729 -2.810 2.197 1.00 0.00 C ATOM 256 SD MET A 17 -19.072 -3.265 3.814 1.00 0.00 S ATOM 257 CE MET A 17 -20.353 -2.630 4.892 1.00 0.00 C ATOM 0 H MET A 17 -20.804 -4.276 0.135 1.00 0.00 H new ATOM 0 HA MET A 17 -19.610 -1.781 -0.344 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.603 -4.262 1.100 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.842 -2.686 1.196 1.00 0.00 H new ATOM 0 HG2 MET A 17 -19.908 -1.735 2.172 1.00 0.00 H new ATOM 0 HG3 MET A 17 -20.693 -3.297 2.051 1.00 0.00 H new ATOM 0 HE1 MET A 17 -19.896 -2.162 5.764 1.00 0.00 H new ATOM 0 HE2 MET A 17 -20.948 -1.892 4.354 1.00 0.00 H new ATOM 0 HE3 MET A 17 -20.996 -3.449 5.215 1.00 0.00 H new ATOM 267 N GLN A 18 -18.033 -4.356 -1.680 1.00 0.00 N ATOM 268 CA GLN A 18 -17.046 -4.716 -2.689 1.00 0.00 C ATOM 269 C GLN A 18 -17.462 -4.203 -4.062 1.00 0.00 C ATOM 270 O GLN A 18 -16.634 -3.698 -4.822 1.00 0.00 O ATOM 271 CB GLN A 18 -16.830 -6.229 -2.726 1.00 0.00 C ATOM 272 CG GLN A 18 -18.110 -7.039 -2.820 1.00 0.00 C ATOM 273 CD GLN A 18 -17.850 -8.527 -2.725 1.00 0.00 C ATOM 274 OE1 GLN A 18 -18.222 -9.118 -1.596 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -17.303 -9.135 -3.645 1.00 0.00 N flip ATOM 0 H GLN A 18 -18.490 -5.150 -1.231 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.102 -4.243 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -16.196 -6.473 -3.578 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -16.289 -6.529 -1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.788 -6.738 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.610 -6.818 -3.763 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.034 -8.639 -4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.119 -10.134 -3.557 1.00 0.00 H new ATOM 284 N GLN A 19 -18.747 -4.318 -4.370 1.00 0.00 N ATOM 285 CA GLN A 19 -19.265 -3.849 -5.649 1.00 0.00 C ATOM 286 C GLN A 19 -19.111 -2.338 -5.756 1.00 0.00 C ATOM 287 O GLN A 19 -18.765 -1.808 -6.811 1.00 0.00 O ATOM 288 CB GLN A 19 -20.734 -4.243 -5.810 1.00 0.00 C ATOM 289 CG GLN A 19 -21.349 -3.784 -7.122 1.00 0.00 C ATOM 290 CD GLN A 19 -20.644 -4.365 -8.333 1.00 0.00 C ATOM 291 OE1 GLN A 19 -19.450 -4.148 -8.533 1.00 0.00 O ATOM 292 NE2 GLN A 19 -21.384 -5.109 -9.147 1.00 0.00 N ATOM 0 H GLN A 19 -19.448 -4.730 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 19 -18.691 -4.319 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -20.820 -5.327 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -21.307 -3.822 -4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -22.400 -4.071 -7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -21.315 -2.696 -7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -22.371 -5.262 -8.941 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -20.965 -5.527 -9.978 1.00 0.00 H new ATOM 301 N ASP A 20 -19.367 -1.650 -4.649 1.00 0.00 N ATOM 302 CA ASP A 20 -19.255 -0.197 -4.606 1.00 0.00 C ATOM 303 C ASP A 20 -17.819 0.239 -4.841 1.00 0.00 C ATOM 304 O ASP A 20 -17.571 1.231 -5.515 1.00 0.00 O ATOM 305 CB ASP A 20 -19.762 0.342 -3.268 1.00 0.00 C ATOM 306 CG ASP A 20 -19.731 1.857 -3.204 1.00 0.00 C ATOM 307 OD1 ASP A 20 -20.385 2.499 -4.053 1.00 0.00 O ATOM 308 OD2 ASP A 20 -19.058 2.401 -2.305 1.00 0.00 O ATOM 0 H ASP A 20 -19.654 -2.076 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 20 -19.874 0.215 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.782 -0.005 -3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.153 -0.065 -2.461 1.00 0.00 H new ATOM 313 N SER A 21 -16.873 -0.508 -4.289 1.00 0.00 N ATOM 314 CA SER A 21 -15.465 -0.183 -4.465 1.00 0.00 C ATOM 315 C SER A 21 -15.077 -0.313 -5.929 1.00 0.00 C ATOM 316 O SER A 21 -14.422 0.565 -6.490 1.00 0.00 O ATOM 317 CB SER A 21 -14.592 -1.094 -3.601 1.00 0.00 C ATOM 318 OG SER A 21 -14.918 -0.963 -2.229 1.00 0.00 O ATOM 0 H SER A 21 -17.052 -1.336 -3.721 1.00 0.00 H new ATOM 0 HA SER A 21 -15.304 0.848 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.724 -2.130 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.541 -0.847 -3.753 1.00 0.00 H new ATOM 0 HG SER A 21 -15.290 -0.071 -2.065 1.00 0.00 H new ATOM 324 N VAL A 22 -15.493 -1.413 -6.545 1.00 0.00 N ATOM 325 CA VAL A 22 -15.199 -1.659 -7.948 1.00 0.00 C ATOM 326 C VAL A 22 -15.773 -0.556 -8.830 1.00 0.00 C ATOM 327 O VAL A 22 -15.082 -0.021 -9.697 1.00 0.00 O ATOM 328 CB VAL A 22 -15.759 -3.024 -8.402 1.00 0.00 C ATOM 329 CG1 VAL A 22 -15.469 -3.273 -9.873 1.00 0.00 C ATOM 330 CG2 VAL A 22 -15.189 -4.144 -7.543 1.00 0.00 C ATOM 0 H VAL A 22 -16.036 -2.149 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.114 -1.669 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.841 -3.006 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.875 -4.242 -10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.932 -2.490 -10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.392 -3.267 -10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.594 -5.100 -7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.103 -4.157 -7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.462 -3.978 -6.501 1.00 0.00 H new ATOM 340 N GLU A 23 -17.032 -0.211 -8.598 1.00 0.00 N ATOM 341 CA GLU A 23 -17.682 0.838 -9.369 1.00 0.00 C ATOM 342 C GLU A 23 -17.059 2.189 -9.047 1.00 0.00 C ATOM 343 O GLU A 23 -16.767 2.982 -9.943 1.00 0.00 O ATOM 344 CB GLU A 23 -19.184 0.871 -9.083 1.00 0.00 C ATOM 345 CG GLU A 23 -19.518 1.179 -7.635 1.00 0.00 C ATOM 346 CD GLU A 23 -21.011 1.176 -7.369 1.00 0.00 C ATOM 347 OE1 GLU A 23 -21.650 0.126 -7.587 1.00 0.00 O ATOM 348 OE2 GLU A 23 -21.539 2.223 -6.940 1.00 0.00 O ATOM 0 H GLU A 23 -17.621 -0.641 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.538 0.623 -10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.651 1.620 -9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.618 -0.092 -9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.036 0.444 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -19.107 2.153 -7.370 1.00 0.00 H new ATOM 355 N CYS A 24 -16.847 2.437 -7.760 1.00 0.00 N ATOM 356 CA CYS A 24 -16.246 3.689 -7.313 1.00 0.00 C ATOM 357 C CYS A 24 -14.828 3.840 -7.851 1.00 0.00 C ATOM 358 O CYS A 24 -14.384 4.950 -8.147 1.00 0.00 O ATOM 359 CB CYS A 24 -16.241 3.775 -5.785 1.00 0.00 C ATOM 360 SG CYS A 24 -17.875 4.031 -5.053 1.00 0.00 S ATOM 0 H CYS A 24 -17.082 1.789 -7.008 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.852 4.505 -7.707 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -15.814 2.857 -5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.586 4.591 -5.480 1.00 0.00 H new ATOM 0 HG CYS A 24 -18.529 2.908 -5.048 1.00 0.00 H new ATOM 366 N ALA A 25 -14.119 2.722 -7.992 1.00 0.00 N ATOM 367 CA ALA A 25 -12.762 2.753 -8.511 1.00 0.00 C ATOM 368 C ALA A 25 -12.786 3.099 -9.988 1.00 0.00 C ATOM 369 O ALA A 25 -11.951 3.859 -10.483 1.00 0.00 O ATOM 370 CB ALA A 25 -12.073 1.414 -8.285 1.00 0.00 C ATOM 0 H ALA A 25 -14.463 1.791 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.197 3.518 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.058 1.456 -8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.038 1.198 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.629 0.628 -8.796 1.00 0.00 H new ATOM 376 N THR A 26 -13.764 2.534 -10.689 1.00 0.00 N ATOM 377 CA THR A 26 -13.920 2.774 -12.112 1.00 0.00 C ATOM 378 C THR A 26 -14.133 4.255 -12.385 1.00 0.00 C ATOM 379 O THR A 26 -13.494 4.840 -13.263 1.00 0.00 O ATOM 380 CB THR A 26 -15.096 1.968 -12.662 1.00 0.00 C ATOM 381 OG1 THR A 26 -14.908 0.583 -12.431 1.00 0.00 O ATOM 382 CG2 THR A 26 -15.311 2.159 -14.149 1.00 0.00 C ATOM 0 H THR A 26 -14.461 1.905 -10.289 1.00 0.00 H new ATOM 0 HA THR A 26 -13.007 2.454 -12.614 1.00 0.00 H new ATOM 0 HB THR A 26 -15.973 2.342 -12.133 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.988 0.398 -11.472 1.00 0.00 H new ATOM 0 HG21 THR A 26 -16.161 1.559 -14.474 1.00 0.00 H new ATOM 0 HG22 THR A 26 -15.509 3.211 -14.356 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.418 1.845 -14.689 1.00 0.00 H new ATOM 390 N GLN A 27 -15.028 4.863 -11.617 1.00 0.00 N ATOM 391 CA GLN A 27 -15.319 6.278 -11.763 1.00 0.00 C ATOM 392 C GLN A 27 -14.046 7.091 -11.573 1.00 0.00 C ATOM 393 O GLN A 27 -13.713 7.945 -12.392 1.00 0.00 O ATOM 394 CB GLN A 27 -16.375 6.706 -10.742 1.00 0.00 C ATOM 395 CG GLN A 27 -16.738 8.176 -10.830 1.00 0.00 C ATOM 396 CD GLN A 27 -17.786 8.579 -9.813 1.00 0.00 C ATOM 397 OE1 GLN A 27 -18.898 8.053 -9.807 1.00 0.00 O ATOM 398 NE2 GLN A 27 -17.435 9.521 -8.944 1.00 0.00 N ATOM 0 H GLN A 27 -15.564 4.395 -10.886 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.708 6.458 -12.765 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.274 6.108 -10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.008 6.490 -9.739 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.841 8.777 -10.680 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.106 8.396 -11.832 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.502 9.930 -8.985 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.099 9.835 -8.236 1.00 0.00 H new ATOM 407 N ALA A 28 -13.327 6.799 -10.496 1.00 0.00 N ATOM 408 CA ALA A 28 -12.076 7.488 -10.202 1.00 0.00 C ATOM 409 C ALA A 28 -11.166 7.500 -11.422 1.00 0.00 C ATOM 410 O ALA A 28 -10.526 8.508 -11.724 1.00 0.00 O ATOM 411 CB ALA A 28 -11.376 6.821 -9.032 1.00 0.00 C ATOM 0 H ALA A 28 -13.589 6.090 -9.811 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.306 8.520 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.443 7.343 -8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.020 6.859 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.162 5.782 -9.281 1.00 0.00 H new ATOM 417 N LEU A 29 -11.119 6.374 -12.123 1.00 0.00 N ATOM 418 CA LEU A 29 -10.292 6.256 -13.317 1.00 0.00 C ATOM 419 C LEU A 29 -10.722 7.270 -14.369 1.00 0.00 C ATOM 420 O LEU A 29 -9.911 8.034 -14.882 1.00 0.00 O ATOM 421 CB LEU A 29 -10.371 4.842 -13.885 1.00 0.00 C ATOM 422 CG LEU A 29 -9.593 3.800 -13.088 1.00 0.00 C ATOM 423 CD1 LEU A 29 -9.986 2.395 -13.514 1.00 0.00 C ATOM 424 CD2 LEU A 29 -8.097 4.010 -13.265 1.00 0.00 C ATOM 0 H LEU A 29 -11.643 5.531 -11.886 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.259 6.462 -13.038 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.417 4.540 -13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.997 4.853 -14.909 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.840 3.918 -12.033 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.420 1.667 -12.933 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.052 2.247 -13.341 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.769 2.262 -14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.554 3.259 -12.691 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.839 3.917 -14.320 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.825 5.004 -12.911 1.00 0.00 H new ATOM 436 N GLU A 30 -12.010 7.275 -14.675 1.00 0.00 N ATOM 437 CA GLU A 30 -12.559 8.201 -15.660 1.00 0.00 C ATOM 438 C GLU A 30 -12.368 9.651 -15.217 1.00 0.00 C ATOM 439 O GLU A 30 -12.329 10.563 -16.042 1.00 0.00 O ATOM 440 CB GLU A 30 -14.046 7.916 -15.883 1.00 0.00 C ATOM 441 CG GLU A 30 -14.327 6.511 -16.390 1.00 0.00 C ATOM 442 CD GLU A 30 -15.805 6.252 -16.607 1.00 0.00 C ATOM 443 OE1 GLU A 30 -16.614 7.171 -16.359 1.00 0.00 O ATOM 444 OE2 GLU A 30 -16.156 5.127 -17.024 1.00 0.00 O ATOM 0 H GLU A 30 -12.697 6.648 -14.256 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.021 8.055 -16.597 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.581 8.069 -14.946 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.442 8.637 -16.598 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.793 6.354 -17.327 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.936 5.786 -15.676 1.00 0.00 H new ATOM 451 N LYS A 31 -12.259 9.852 -13.907 1.00 0.00 N ATOM 452 CA LYS A 31 -12.083 11.181 -13.339 1.00 0.00 C ATOM 453 C LYS A 31 -10.646 11.672 -13.472 1.00 0.00 C ATOM 454 O LYS A 31 -10.406 12.873 -13.596 1.00 0.00 O ATOM 455 CB LYS A 31 -12.502 11.188 -11.868 1.00 0.00 C ATOM 456 CG LYS A 31 -13.972 11.516 -11.647 1.00 0.00 C ATOM 457 CD LYS A 31 -14.886 10.629 -12.475 1.00 0.00 C ATOM 458 CE LYS A 31 -16.337 11.069 -12.361 1.00 0.00 C ATOM 459 NZ LYS A 31 -16.532 12.469 -12.830 1.00 0.00 N ATOM 0 H LYS A 31 -12.290 9.103 -13.215 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.720 11.863 -13.902 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.289 10.211 -11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.893 11.915 -11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.214 11.400 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.152 12.560 -11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.576 10.659 -13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.790 9.595 -12.143 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -16.966 10.399 -12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.661 10.985 -11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.538 12.627 -13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.227 13.130 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.967 12.629 -13.689 1.00 0.00 H new ATOM 473 N TYR A 32 -9.688 10.751 -13.425 1.00 0.00 N ATOM 474 CA TYR A 32 -8.285 11.138 -13.522 1.00 0.00 C ATOM 475 C TYR A 32 -7.440 10.113 -14.279 1.00 0.00 C ATOM 476 O TYR A 32 -6.545 10.484 -15.035 1.00 0.00 O ATOM 477 CB TYR A 32 -7.701 11.344 -12.125 1.00 0.00 C ATOM 478 CG TYR A 32 -8.455 12.354 -11.291 1.00 0.00 C ATOM 479 CD1 TYR A 32 -8.538 13.685 -11.681 1.00 0.00 C ATOM 480 CD2 TYR A 32 -9.085 11.975 -10.113 1.00 0.00 C ATOM 481 CE1 TYR A 32 -9.226 14.610 -10.918 1.00 0.00 C ATOM 482 CE2 TYR A 32 -9.778 12.893 -9.347 1.00 0.00 C ATOM 483 CZ TYR A 32 -9.845 14.209 -9.752 1.00 0.00 C ATOM 484 OH TYR A 32 -10.531 15.126 -8.991 1.00 0.00 O ATOM 0 H TYR A 32 -9.853 9.750 -13.322 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.254 12.070 -14.087 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.692 10.388 -11.601 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.664 11.666 -12.219 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.057 14.002 -12.595 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.033 10.946 -9.790 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.279 15.642 -11.233 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.265 12.581 -8.435 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.908 14.681 -8.204 1.00 0.00 H new ATOM 494 N ASN A 33 -7.712 8.831 -14.057 1.00 0.00 N ATOM 495 CA ASN A 33 -6.957 7.757 -14.704 1.00 0.00 C ATOM 496 C ASN A 33 -5.566 7.637 -14.088 1.00 0.00 C ATOM 497 O ASN A 33 -4.563 7.582 -14.798 1.00 0.00 O ATOM 498 CB ASN A 33 -6.837 7.991 -16.218 1.00 0.00 C ATOM 499 CG ASN A 33 -8.181 8.037 -16.914 1.00 0.00 C ATOM 500 OD1 ASN A 33 -8.927 7.058 -16.914 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.499 9.179 -17.513 1.00 0.00 N ATOM 0 H ASN A 33 -8.451 8.507 -13.433 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.503 6.827 -14.543 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.309 8.928 -16.395 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.233 7.197 -16.657 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.392 9.269 -17.998 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.850 9.966 -17.488 1.00 0.00 H new ATOM 508 N ILE A 34 -5.518 7.597 -12.761 1.00 0.00 N ATOM 509 CA ILE A 34 -4.254 7.482 -12.044 1.00 0.00 C ATOM 510 C ILE A 34 -4.410 6.600 -10.809 1.00 0.00 C ATOM 511 O ILE A 34 -5.317 6.798 -10.002 1.00 0.00 O ATOM 512 CB ILE A 34 -3.726 8.868 -11.614 1.00 0.00 C ATOM 513 CG1 ILE A 34 -3.570 9.779 -12.832 1.00 0.00 C ATOM 514 CG2 ILE A 34 -2.400 8.729 -10.879 1.00 0.00 C ATOM 515 CD1 ILE A 34 -2.575 9.264 -13.850 1.00 0.00 C ATOM 0 H ILE A 34 -6.341 7.643 -12.160 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.536 7.026 -12.726 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.450 9.319 -10.935 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.541 9.898 -13.313 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.256 10.768 -12.498 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.043 9.715 -10.583 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.539 8.112 -9.991 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.668 8.260 -11.536 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.516 9.961 -14.686 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.593 9.172 -13.385 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.898 8.288 -14.213 1.00 0.00 H new ATOM 527 N GLU A 35 -3.517 5.627 -10.673 1.00 0.00 N ATOM 528 CA GLU A 35 -3.545 4.700 -9.544 1.00 0.00 C ATOM 529 C GLU A 35 -3.657 5.442 -8.213 1.00 0.00 C ATOM 530 O GLU A 35 -4.394 5.025 -7.320 1.00 0.00 O ATOM 531 CB GLU A 35 -2.287 3.830 -9.557 1.00 0.00 C ATOM 532 CG GLU A 35 -0.995 4.629 -9.507 1.00 0.00 C ATOM 533 CD GLU A 35 0.236 3.763 -9.692 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.428 2.825 -8.891 1.00 0.00 O ATOM 535 OE2 GLU A 35 1.008 4.025 -10.638 1.00 0.00 O ATOM 0 H GLU A 35 -2.759 5.458 -11.334 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.427 4.067 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.317 3.150 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.290 3.215 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.016 5.394 -10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.930 5.147 -8.550 1.00 0.00 H new ATOM 542 N LYS A 36 -2.921 6.540 -8.088 1.00 0.00 N ATOM 543 CA LYS A 36 -2.937 7.338 -6.867 1.00 0.00 C ATOM 544 C LYS A 36 -4.325 7.922 -6.606 1.00 0.00 C ATOM 545 O LYS A 36 -4.908 7.719 -5.542 1.00 0.00 O ATOM 546 CB LYS A 36 -1.920 8.473 -6.978 1.00 0.00 C ATOM 547 CG LYS A 36 -1.853 9.362 -5.747 1.00 0.00 C ATOM 548 CD LYS A 36 -1.021 10.607 -6.006 1.00 0.00 C ATOM 549 CE LYS A 36 -1.652 11.492 -7.071 1.00 0.00 C ATOM 550 NZ LYS A 36 -0.863 12.734 -7.299 1.00 0.00 N ATOM 0 H LYS A 36 -2.305 6.899 -8.818 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.676 6.686 -6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.933 8.047 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.168 9.086 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.861 9.652 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.424 8.803 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.913 11.172 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.019 10.316 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.732 10.936 -8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.666 11.756 -6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.326 13.310 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.808 13.278 -6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.097 12.483 -7.611 1.00 0.00 H new ATOM 564 N ASP A 37 -4.835 8.658 -7.587 1.00 0.00 N ATOM 565 CA ASP A 37 -6.147 9.295 -7.479 1.00 0.00 C ATOM 566 C ASP A 37 -7.245 8.296 -7.114 1.00 0.00 C ATOM 567 O ASP A 37 -8.096 8.585 -6.270 1.00 0.00 O ATOM 568 CB ASP A 37 -6.499 9.995 -8.793 1.00 0.00 C ATOM 569 CG ASP A 37 -5.491 11.065 -9.168 1.00 0.00 C ATOM 570 OD1 ASP A 37 -4.519 11.261 -8.409 1.00 0.00 O ATOM 571 OD2 ASP A 37 -5.676 11.710 -10.222 1.00 0.00 O ATOM 0 H ASP A 37 -4.358 8.830 -8.472 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.088 10.028 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.554 9.255 -9.592 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.488 10.446 -8.708 1.00 0.00 H new ATOM 576 N ILE A 38 -7.232 7.126 -7.750 1.00 0.00 N ATOM 577 CA ILE A 38 -8.240 6.098 -7.482 1.00 0.00 C ATOM 578 C ILE A 38 -8.427 5.892 -5.982 1.00 0.00 C ATOM 579 O ILE A 38 -9.555 5.807 -5.489 1.00 0.00 O ATOM 580 CB ILE A 38 -7.869 4.754 -8.146 1.00 0.00 C ATOM 581 CG1 ILE A 38 -7.821 4.909 -9.668 1.00 0.00 C ATOM 582 CG2 ILE A 38 -8.861 3.667 -7.756 1.00 0.00 C ATOM 583 CD1 ILE A 38 -7.404 3.648 -10.391 1.00 0.00 C ATOM 0 H ILE A 38 -6.539 6.865 -8.451 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.177 6.451 -7.913 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.881 4.458 -7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.804 5.214 -10.025 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.127 5.710 -9.922 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.580 2.729 -8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.853 3.538 -6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.861 3.954 -8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.392 3.832 -11.465 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.408 3.353 -10.062 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.111 2.849 -10.167 1.00 0.00 H new ATOM 595 N ALA A 39 -7.316 5.818 -5.264 1.00 0.00 N ATOM 596 CA ALA A 39 -7.353 5.631 -3.822 1.00 0.00 C ATOM 597 C ALA A 39 -8.078 6.785 -3.138 1.00 0.00 C ATOM 598 O ALA A 39 -8.807 6.583 -2.167 1.00 0.00 O ATOM 599 CB ALA A 39 -5.941 5.496 -3.276 1.00 0.00 C ATOM 0 H ALA A 39 -6.377 5.885 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.904 4.715 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.980 5.356 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.454 4.636 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.375 6.399 -3.505 1.00 0.00 H new ATOM 605 N ALA A 40 -7.865 7.995 -3.645 1.00 0.00 N ATOM 606 CA ALA A 40 -8.491 9.184 -3.075 1.00 0.00 C ATOM 607 C ALA A 40 -10.015 9.102 -3.134 1.00 0.00 C ATOM 608 O ALA A 40 -10.695 9.356 -2.142 1.00 0.00 O ATOM 609 CB ALA A 40 -8.005 10.432 -3.798 1.00 0.00 C ATOM 0 H ALA A 40 -7.264 8.179 -4.449 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.201 9.240 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.479 11.312 -3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.923 10.514 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.264 10.365 -4.855 1.00 0.00 H new ATOM 615 N HIS A 41 -10.541 8.749 -4.302 1.00 0.00 N ATOM 616 CA HIS A 41 -11.986 8.640 -4.491 1.00 0.00 C ATOM 617 C HIS A 41 -12.607 7.604 -3.561 1.00 0.00 C ATOM 618 O HIS A 41 -13.523 7.908 -2.796 1.00 0.00 O ATOM 619 CB HIS A 41 -12.301 8.261 -5.937 1.00 0.00 C ATOM 620 CG HIS A 41 -12.167 9.390 -6.906 1.00 0.00 C ATOM 621 ND1 HIS A 41 -13.016 10.475 -6.917 1.00 0.00 N ATOM 622 CD2 HIS A 41 -11.294 9.588 -7.919 1.00 0.00 C ATOM 623 CE1 HIS A 41 -12.672 11.288 -7.898 1.00 0.00 C ATOM 624 NE2 HIS A 41 -11.630 10.774 -8.524 1.00 0.00 N ATOM 0 H HIS A 41 -9.990 8.533 -5.133 1.00 0.00 H new ATOM 0 HA HIS A 41 -12.414 9.614 -4.255 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.636 7.453 -6.243 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.318 7.873 -5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.482 8.934 -8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.161 12.218 -8.147 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.153 11.189 -9.325 1.00 0.00 H new ATOM 633 N ILE A 42 -12.117 6.374 -3.650 1.00 0.00 N ATOM 634 CA ILE A 42 -12.634 5.280 -2.840 1.00 0.00 C ATOM 635 C ILE A 42 -12.442 5.528 -1.342 1.00 0.00 C ATOM 636 O ILE A 42 -13.283 5.142 -0.532 1.00 0.00 O ATOM 637 CB ILE A 42 -11.973 3.941 -3.234 1.00 0.00 C ATOM 638 CG1 ILE A 42 -12.295 3.605 -4.691 1.00 0.00 C ATOM 639 CG2 ILE A 42 -12.434 2.816 -2.316 1.00 0.00 C ATOM 640 CD1 ILE A 42 -11.669 2.312 -5.165 1.00 0.00 C ATOM 0 H ILE A 42 -11.359 6.109 -4.278 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.705 5.225 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.893 4.046 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.377 3.541 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.952 4.420 -5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.954 1.884 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.162 3.051 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.516 2.707 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.939 2.137 -6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.585 2.380 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.031 1.486 -4.552 1.00 0.00 H new ATOM 652 N LYS A 43 -11.331 6.154 -0.975 1.00 0.00 N ATOM 653 CA LYS A 43 -11.044 6.421 0.431 1.00 0.00 C ATOM 654 C LYS A 43 -12.054 7.393 1.041 1.00 0.00 C ATOM 655 O LYS A 43 -12.721 7.068 2.021 1.00 0.00 O ATOM 656 CB LYS A 43 -9.620 6.971 0.584 1.00 0.00 C ATOM 657 CG LYS A 43 -9.113 7.019 2.022 1.00 0.00 C ATOM 658 CD LYS A 43 -9.823 8.077 2.852 1.00 0.00 C ATOM 659 CE LYS A 43 -9.174 8.239 4.218 1.00 0.00 C ATOM 660 NZ LYS A 43 -9.860 9.275 5.040 1.00 0.00 N ATOM 0 H LYS A 43 -10.618 6.485 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.126 5.478 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.941 6.357 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.585 7.977 0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.253 6.043 2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.042 7.221 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.804 9.030 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.871 7.802 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.195 7.285 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.126 8.511 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.170 9.731 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.283 9.990 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.606 8.828 5.610 1.00 0.00 H new ATOM 674 N LYS A 44 -12.151 8.593 0.479 1.00 0.00 N ATOM 675 CA LYS A 44 -13.068 9.605 1.003 1.00 0.00 C ATOM 676 C LYS A 44 -14.525 9.166 0.899 1.00 0.00 C ATOM 677 O LYS A 44 -15.290 9.298 1.855 1.00 0.00 O ATOM 678 CB LYS A 44 -12.872 10.937 0.275 1.00 0.00 C ATOM 679 CG LYS A 44 -13.277 10.901 -1.190 1.00 0.00 C ATOM 680 CD LYS A 44 -13.043 12.244 -1.863 1.00 0.00 C ATOM 681 CE LYS A 44 -13.473 12.222 -3.322 1.00 0.00 C ATOM 682 NZ LYS A 44 -13.263 13.537 -3.985 1.00 0.00 N ATOM 0 H LYS A 44 -11.611 8.890 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.833 9.733 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.452 11.707 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.824 11.228 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.708 10.129 -1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.330 10.630 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.596 13.019 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.987 12.505 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.911 11.454 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.526 11.948 -3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.569 13.478 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.819 14.266 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.254 13.787 -3.948 1.00 0.00 H new ATOM 696 N GLU A 45 -14.910 8.657 -0.264 1.00 0.00 N ATOM 697 CA GLU A 45 -16.284 8.217 -0.487 1.00 0.00 C ATOM 698 C GLU A 45 -16.720 7.197 0.562 1.00 0.00 C ATOM 699 O GLU A 45 -17.823 7.284 1.104 1.00 0.00 O ATOM 700 CB GLU A 45 -16.423 7.615 -1.887 1.00 0.00 C ATOM 701 CG GLU A 45 -17.829 7.132 -2.207 1.00 0.00 C ATOM 702 CD GLU A 45 -18.856 8.245 -2.139 1.00 0.00 C ATOM 703 OE1 GLU A 45 -18.720 9.226 -2.899 1.00 0.00 O ATOM 704 OE2 GLU A 45 -19.799 8.134 -1.327 1.00 0.00 O ATOM 0 H GLU A 45 -14.293 8.538 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.932 9.089 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.128 8.361 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.730 6.779 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.840 6.692 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.106 6.343 -1.508 1.00 0.00 H new ATOM 711 N PHE A 46 -15.857 6.227 0.838 1.00 0.00 N ATOM 712 CA PHE A 46 -16.162 5.187 1.811 1.00 0.00 C ATOM 713 C PHE A 46 -15.983 5.677 3.246 1.00 0.00 C ATOM 714 O PHE A 46 -16.808 5.392 4.114 1.00 0.00 O ATOM 715 CB PHE A 46 -15.299 3.953 1.554 1.00 0.00 C ATOM 716 CG PHE A 46 -15.685 3.214 0.302 1.00 0.00 C ATOM 717 CD1 PHE A 46 -15.677 3.852 -0.929 1.00 0.00 C ATOM 718 CD2 PHE A 46 -16.063 1.884 0.360 1.00 0.00 C ATOM 719 CE1 PHE A 46 -16.038 3.174 -2.078 1.00 0.00 C ATOM 720 CE2 PHE A 46 -16.425 1.202 -0.784 1.00 0.00 C ATOM 721 CZ PHE A 46 -16.412 1.847 -2.004 1.00 0.00 C ATOM 0 H PHE A 46 -14.940 6.139 0.401 1.00 0.00 H new ATOM 0 HA PHE A 46 -17.212 4.920 1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -14.254 4.256 1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -15.378 3.278 2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -15.385 4.890 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -16.075 1.374 1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -16.028 3.681 -3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.718 0.164 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.694 1.314 -2.900 1.00 0.00 H new ATOM 731 N ASP A 47 -14.909 6.415 3.494 1.00 0.00 N ATOM 732 CA ASP A 47 -14.641 6.938 4.830 1.00 0.00 C ATOM 733 C ASP A 47 -15.770 7.850 5.297 1.00 0.00 C ATOM 734 O ASP A 47 -16.090 7.899 6.483 1.00 0.00 O ATOM 735 CB ASP A 47 -13.312 7.694 4.860 1.00 0.00 C ATOM 736 CG ASP A 47 -12.116 6.760 4.888 1.00 0.00 C ATOM 737 OD1 ASP A 47 -12.001 5.912 3.980 1.00 0.00 O ATOM 738 OD2 ASP A 47 -11.293 6.880 5.820 1.00 0.00 O ATOM 0 H ASP A 47 -14.212 6.665 2.793 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.577 6.089 5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.245 8.340 3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.285 8.341 5.737 1.00 0.00 H new ATOM 743 N LYS A 48 -16.364 8.575 4.361 1.00 0.00 N ATOM 744 CA LYS A 48 -17.451 9.487 4.675 1.00 0.00 C ATOM 745 C LYS A 48 -18.775 8.742 4.804 1.00 0.00 C ATOM 746 O LYS A 48 -19.589 9.042 5.679 1.00 0.00 O ATOM 747 CB LYS A 48 -17.554 10.555 3.586 1.00 0.00 C ATOM 748 CG LYS A 48 -18.752 11.475 3.740 1.00 0.00 C ATOM 749 CD LYS A 48 -18.743 12.221 5.068 1.00 0.00 C ATOM 750 CE LYS A 48 -17.652 13.284 5.122 1.00 0.00 C ATOM 751 NZ LYS A 48 -16.285 12.696 5.187 1.00 0.00 N ATOM 0 H LYS A 48 -16.109 8.548 3.374 1.00 0.00 H new ATOM 0 HA LYS A 48 -17.238 9.961 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.644 11.155 3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.607 10.065 2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.762 12.195 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -19.669 10.890 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.714 12.691 5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -18.596 11.510 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.728 13.923 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -17.812 13.920 5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.701 13.248 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.346 11.712 5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.853 12.717 4.241 1.00 0.00 H new ATOM 765 N LYS A 49 -18.992 7.788 3.910 1.00 0.00 N ATOM 766 CA LYS A 49 -20.224 7.013 3.894 1.00 0.00 C ATOM 767 C LYS A 49 -20.226 5.883 4.922 1.00 0.00 C ATOM 768 O LYS A 49 -21.111 5.807 5.774 1.00 0.00 O ATOM 769 CB LYS A 49 -20.446 6.438 2.495 1.00 0.00 C ATOM 770 CG LYS A 49 -21.686 5.573 2.379 1.00 0.00 C ATOM 771 CD LYS A 49 -22.946 6.349 2.726 1.00 0.00 C ATOM 772 CE LYS A 49 -24.186 5.478 2.609 1.00 0.00 C ATOM 773 NZ LYS A 49 -25.426 6.229 2.950 1.00 0.00 N ATOM 0 H LYS A 49 -18.326 7.531 3.182 1.00 0.00 H new ATOM 0 HA LYS A 49 -21.036 7.689 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -20.519 7.259 1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.575 5.847 2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.765 5.185 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -21.594 4.713 3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -22.867 6.737 3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -23.040 7.208 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -24.264 5.091 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -24.089 4.617 3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -26.249 5.600 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -25.363 6.577 3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -25.533 7.036 2.302 1.00 0.00 H new ATOM 787 N TYR A 50 -19.249 4.994 4.816 1.00 0.00 N ATOM 788 CA TYR A 50 -19.154 3.846 5.715 1.00 0.00 C ATOM 789 C TYR A 50 -18.361 4.154 6.985 1.00 0.00 C ATOM 790 O TYR A 50 -18.407 3.381 7.940 1.00 0.00 O ATOM 791 CB TYR A 50 -18.538 2.655 4.982 1.00 0.00 C ATOM 792 CG TYR A 50 -19.362 2.192 3.801 1.00 0.00 C ATOM 793 CD1 TYR A 50 -19.535 3.006 2.688 1.00 0.00 C ATOM 794 CD2 TYR A 50 -19.979 0.947 3.804 1.00 0.00 C ATOM 795 CE1 TYR A 50 -20.295 2.592 1.612 1.00 0.00 C ATOM 796 CE2 TYR A 50 -20.740 0.526 2.731 1.00 0.00 C ATOM 797 CZ TYR A 50 -20.895 1.352 1.638 1.00 0.00 C ATOM 798 OH TYR A 50 -21.653 0.936 0.567 1.00 0.00 O ATOM 0 H TYR A 50 -18.508 5.043 4.116 1.00 0.00 H new ATOM 0 HA TYR A 50 -20.169 3.600 6.028 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -17.540 2.925 4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -18.420 1.827 5.681 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -19.067 3.979 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -19.862 0.298 4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -20.418 3.237 0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -21.211 -0.446 2.748 1.00 0.00 H new ATOM 0 HH TYR A 50 -22.004 0.038 0.744 1.00 0.00 H new ATOM 808 N ASN A 51 -17.635 5.273 6.983 1.00 0.00 N ATOM 809 CA ASN A 51 -16.817 5.695 8.129 1.00 0.00 C ATOM 810 C ASN A 51 -15.376 5.227 7.959 1.00 0.00 C ATOM 811 O ASN A 51 -15.125 4.145 7.427 1.00 0.00 O ATOM 812 CB ASN A 51 -17.378 5.181 9.463 1.00 0.00 C ATOM 813 CG ASN A 51 -18.833 5.560 9.664 1.00 0.00 C ATOM 814 OD1 ASN A 51 -19.184 6.741 9.667 1.00 0.00 O ATOM 815 ND2 ASN A 51 -19.689 4.560 9.836 1.00 0.00 N ATOM 0 H ASN A 51 -17.595 5.914 6.190 1.00 0.00 H new ATOM 0 HA ASN A 51 -16.844 6.784 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.280 4.096 9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.784 5.584 10.283 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.680 4.756 9.978 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.356 3.596 9.826 1.00 0.00 H new ATOM 822 N PRO A 52 -14.405 6.045 8.397 1.00 0.00 N ATOM 823 CA PRO A 52 -12.980 5.718 8.275 1.00 0.00 C ATOM 824 C PRO A 52 -12.559 4.538 9.153 1.00 0.00 C ATOM 825 O PRO A 52 -13.324 4.092 10.007 1.00 0.00 O ATOM 826 CB PRO A 52 -12.276 7.001 8.728 1.00 0.00 C ATOM 827 CG PRO A 52 -13.265 7.685 9.606 1.00 0.00 C ATOM 828 CD PRO A 52 -14.615 7.360 9.034 1.00 0.00 C ATOM 0 HA PRO A 52 -12.728 5.410 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.355 6.778 9.267 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.004 7.625 7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.182 7.335 10.635 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.096 8.762 9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -15.380 7.314 9.809 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.937 8.110 8.312 1.00 0.00 H new ATOM 836 N THR A 53 -11.335 4.028 8.942 1.00 0.00 N ATOM 837 CA THR A 53 -10.424 4.555 7.929 1.00 0.00 C ATOM 838 C THR A 53 -10.130 3.509 6.864 1.00 0.00 C ATOM 839 O THR A 53 -9.657 2.415 7.172 1.00 0.00 O ATOM 840 CB THR A 53 -9.124 5.005 8.592 1.00 0.00 C ATOM 841 OG1 THR A 53 -8.276 5.648 7.656 1.00 0.00 O ATOM 842 CG2 THR A 53 -8.342 3.867 9.211 1.00 0.00 C ATOM 0 H THR A 53 -10.956 3.242 9.470 1.00 0.00 H new ATOM 0 HA THR A 53 -10.900 5.408 7.445 1.00 0.00 H new ATOM 0 HB THR A 53 -9.429 5.690 9.383 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.500 5.079 7.473 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.430 4.256 9.664 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.949 3.382 9.975 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.083 3.142 8.440 1.00 0.00 H new ATOM 850 N TRP A 54 -10.411 3.849 5.611 1.00 0.00 N ATOM 851 CA TRP A 54 -10.178 2.932 4.504 1.00 0.00 C ATOM 852 C TRP A 54 -8.811 3.140 3.881 1.00 0.00 C ATOM 853 O TRP A 54 -8.445 4.251 3.501 1.00 0.00 O ATOM 854 CB TRP A 54 -11.259 3.087 3.442 1.00 0.00 C ATOM 855 CG TRP A 54 -12.626 2.811 3.969 1.00 0.00 C ATOM 856 CD1 TRP A 54 -13.275 3.499 4.951 1.00 0.00 C ATOM 857 CD2 TRP A 54 -13.504 1.759 3.559 1.00 0.00 C ATOM 858 NE1 TRP A 54 -14.514 2.951 5.168 1.00 0.00 N ATOM 859 CE2 TRP A 54 -14.679 1.880 4.325 1.00 0.00 C ATOM 860 CE3 TRP A 54 -13.412 0.733 2.616 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -15.755 1.010 4.175 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -14.481 -0.133 2.469 1.00 0.00 C ATOM 863 CH2 TRP A 54 -15.640 0.012 3.245 1.00 0.00 C ATOM 0 H TRP A 54 -10.800 4.752 5.338 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.215 1.921 4.909 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -11.226 4.100 3.041 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -11.049 2.410 2.614 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -12.873 4.350 5.480 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -15.200 3.285 5.845 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -12.523 0.618 2.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -16.649 1.118 4.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -14.422 -0.933 1.746 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -16.459 -0.678 3.106 1.00 0.00 H new ATOM 874 N HIS A 55 -8.068 2.052 3.768 1.00 0.00 N ATOM 875 CA HIS A 55 -6.745 2.087 3.180 1.00 0.00 C ATOM 876 C HIS A 55 -6.838 1.750 1.697 1.00 0.00 C ATOM 877 O HIS A 55 -7.505 0.786 1.315 1.00 0.00 O ATOM 878 CB HIS A 55 -5.837 1.103 3.910 1.00 0.00 C ATOM 879 CG HIS A 55 -5.945 1.226 5.400 1.00 0.00 C ATOM 880 ND1 HIS A 55 -6.199 0.299 6.354 1.00 0.00 N flip ATOM 881 CD2 HIS A 55 -5.801 2.425 6.063 1.00 0.00 C flip ATOM 882 CE1 HIS A 55 -6.199 0.950 7.562 1.00 0.00 C flip ATOM 883 NE2 HIS A 55 -5.956 2.232 7.359 1.00 0.00 N flip ATOM 0 H HIS A 55 -8.364 1.127 4.080 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.320 3.086 3.279 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.093 0.086 3.612 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.804 1.273 3.608 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.360 -0.697 6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.593 3.376 5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.370 0.488 8.523 1.00 0.00 H new ATOM 892 N CYS A 56 -6.198 2.561 0.862 1.00 0.00 N ATOM 893 CA CYS A 56 -6.249 2.351 -0.580 1.00 0.00 C ATOM 894 C CYS A 56 -4.859 2.190 -1.185 1.00 0.00 C ATOM 895 O CYS A 56 -3.913 2.878 -0.802 1.00 0.00 O ATOM 896 CB CYS A 56 -6.975 3.516 -1.254 1.00 0.00 C ATOM 897 SG CYS A 56 -8.672 3.760 -0.679 1.00 0.00 S ATOM 0 H CYS A 56 -5.642 3.364 1.156 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.796 1.424 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.409 4.431 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.988 3.348 -2.331 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.190 4.789 -1.281 1.00 0.00 H new ATOM 903 N ILE A 57 -4.763 1.281 -2.148 1.00 0.00 N ATOM 904 CA ILE A 57 -3.514 1.009 -2.848 1.00 0.00 C ATOM 905 C ILE A 57 -3.814 0.619 -4.292 1.00 0.00 C ATOM 906 O ILE A 57 -4.754 -0.133 -4.553 1.00 0.00 O ATOM 907 CB ILE A 57 -2.718 -0.126 -2.173 1.00 0.00 C ATOM 908 CG1 ILE A 57 -2.490 0.180 -0.691 1.00 0.00 C ATOM 909 CG2 ILE A 57 -1.388 -0.338 -2.883 1.00 0.00 C ATOM 910 CD1 ILE A 57 -1.641 1.409 -0.447 1.00 0.00 C ATOM 0 H ILE A 57 -5.548 0.712 -2.465 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.909 1.915 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.301 -1.044 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.456 0.314 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.013 -0.680 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.839 -1.142 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.570 -0.603 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.802 0.580 -2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.523 1.562 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.661 1.271 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.127 2.280 -0.887 1.00 0.00 H new ATOM 922 N VAL A 58 -3.033 1.139 -5.231 1.00 0.00 N ATOM 923 CA VAL A 58 -3.249 0.839 -6.640 1.00 0.00 C ATOM 924 C VAL A 58 -1.951 0.944 -7.432 1.00 0.00 C ATOM 925 O VAL A 58 -1.184 1.889 -7.262 1.00 0.00 O ATOM 926 CB VAL A 58 -4.295 1.789 -7.257 1.00 0.00 C ATOM 927 CG1 VAL A 58 -4.582 1.417 -8.705 1.00 0.00 C ATOM 928 CG2 VAL A 58 -5.574 1.777 -6.433 1.00 0.00 C ATOM 0 H VAL A 58 -2.250 1.766 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.618 -0.185 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.887 2.800 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.323 2.102 -9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.663 1.484 -9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.966 0.398 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -6.302 2.453 -6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.982 0.767 -6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.355 2.103 -5.416 1.00 0.00 H new ATOM 938 N GLY A 59 -1.717 -0.036 -8.296 1.00 0.00 N ATOM 939 CA GLY A 59 -0.513 -0.044 -9.103 1.00 0.00 C ATOM 940 C GLY A 59 -0.413 -1.281 -9.972 1.00 0.00 C ATOM 941 O GLY A 59 -1.369 -1.650 -10.653 1.00 0.00 O ATOM 0 H GLY A 59 -2.342 -0.827 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.496 0.844 -9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.359 0.011 -8.451 1.00 0.00 H new ATOM 945 N ARG A 60 0.750 -1.925 -9.945 1.00 0.00 N ATOM 946 CA ARG A 60 0.970 -3.132 -10.737 1.00 0.00 C ATOM 947 C ARG A 60 2.340 -3.736 -10.446 1.00 0.00 C ATOM 948 O ARG A 60 3.012 -4.238 -11.346 1.00 0.00 O ATOM 949 CB ARG A 60 0.849 -2.814 -12.228 1.00 0.00 C ATOM 950 CG ARG A 60 1.823 -1.750 -12.705 1.00 0.00 C ATOM 951 CD ARG A 60 1.679 -1.490 -14.198 1.00 0.00 C ATOM 952 NE ARG A 60 2.573 -0.433 -14.664 1.00 0.00 N ATOM 953 CZ ARG A 60 2.469 0.844 -14.301 1.00 0.00 C ATOM 954 NH1 ARG A 60 1.485 1.237 -13.502 1.00 0.00 N ATOM 955 NH2 ARG A 60 3.344 1.732 -14.751 1.00 0.00 N ATOM 0 H ARG A 60 1.552 -1.633 -9.386 1.00 0.00 H new ATOM 0 HA ARG A 60 0.207 -3.860 -10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.013 -3.727 -12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.168 -2.484 -12.439 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.650 -0.825 -12.155 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.843 -2.065 -12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.888 -2.408 -14.747 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.648 -1.215 -14.419 1.00 0.00 H new ATOM 0 HE ARG A 60 3.323 -0.689 -15.307 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.803 0.559 -13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.411 2.217 -13.228 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.095 1.437 -15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.266 2.711 -14.474 1.00 0.00 H new ATOM 969 N ASN A 61 2.743 -3.683 -9.178 1.00 0.00 N ATOM 970 CA ASN A 61 4.030 -4.218 -8.738 1.00 0.00 C ATOM 971 C ASN A 61 4.335 -3.745 -7.323 1.00 0.00 C ATOM 972 O ASN A 61 5.079 -2.783 -7.131 1.00 0.00 O ATOM 973 CB ASN A 61 5.161 -3.778 -9.681 1.00 0.00 C ATOM 974 CG ASN A 61 6.534 -4.309 -9.284 1.00 0.00 C ATOM 975 OD1 ASN A 61 7.547 -3.904 -9.854 1.00 0.00 O ATOM 976 ND2 ASN A 61 6.586 -5.235 -8.326 1.00 0.00 N ATOM 0 H ASN A 61 2.188 -3.269 -8.429 1.00 0.00 H new ATOM 0 HA ASN A 61 3.967 -5.306 -8.754 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.930 -4.114 -10.692 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.197 -2.689 -9.707 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.484 -5.629 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.728 -5.549 -7.873 1.00 0.00 H new ATOM 983 N PHE A 62 3.748 -4.408 -6.330 1.00 0.00 N ATOM 984 CA PHE A 62 3.968 -4.016 -4.944 1.00 0.00 C ATOM 985 C PHE A 62 3.589 -5.118 -3.961 1.00 0.00 C ATOM 986 O PHE A 62 2.536 -5.746 -4.072 1.00 0.00 O ATOM 987 CB PHE A 62 3.168 -2.747 -4.633 1.00 0.00 C ATOM 988 CG PHE A 62 1.675 -2.938 -4.681 1.00 0.00 C ATOM 989 CD1 PHE A 62 1.015 -3.612 -3.664 1.00 0.00 C ATOM 990 CD2 PHE A 62 0.933 -2.449 -5.744 1.00 0.00 C ATOM 991 CE1 PHE A 62 -0.355 -3.791 -3.707 1.00 0.00 C ATOM 992 CE2 PHE A 62 -0.437 -2.625 -5.791 1.00 0.00 C ATOM 993 CZ PHE A 62 -1.082 -3.297 -4.772 1.00 0.00 C ATOM 0 H PHE A 62 3.126 -5.207 -6.457 1.00 0.00 H new ATOM 0 HA PHE A 62 5.035 -3.827 -4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.447 -2.388 -3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.448 -1.970 -5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.578 -4.001 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.431 -1.924 -6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.857 -4.317 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.003 -2.237 -6.625 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.152 -3.436 -4.808 1.00 0.00 H new ATOM 1003 N GLY A 63 4.458 -5.318 -2.980 1.00 0.00 N ATOM 1004 CA GLY A 63 4.218 -6.307 -1.943 1.00 0.00 C ATOM 1005 C GLY A 63 3.937 -5.613 -0.627 1.00 0.00 C ATOM 1006 O GLY A 63 4.567 -4.601 -0.329 1.00 0.00 O ATOM 0 H GLY A 63 5.335 -4.807 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.374 -6.939 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.085 -6.960 -1.842 1.00 0.00 H new ATOM 1010 N SER A 64 2.986 -6.111 0.155 1.00 0.00 N ATOM 1011 CA SER A 64 2.664 -5.445 1.413 1.00 0.00 C ATOM 1012 C SER A 64 1.980 -6.354 2.427 1.00 0.00 C ATOM 1013 O SER A 64 1.253 -7.284 2.077 1.00 0.00 O ATOM 1014 CB SER A 64 1.766 -4.239 1.142 1.00 0.00 C ATOM 1015 OG SER A 64 0.579 -4.626 0.472 1.00 0.00 O ATOM 0 H SER A 64 2.439 -6.947 -0.049 1.00 0.00 H new ATOM 0 HA SER A 64 3.615 -5.138 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.513 -3.751 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.305 -3.508 0.539 1.00 0.00 H new ATOM 0 HG SER A 64 0.021 -3.836 0.312 1.00 0.00 H new ATOM 1021 N TYR A 65 2.206 -6.026 3.696 1.00 0.00 N ATOM 1022 CA TYR A 65 1.615 -6.740 4.818 1.00 0.00 C ATOM 1023 C TYR A 65 0.910 -5.719 5.711 1.00 0.00 C ATOM 1024 O TYR A 65 1.470 -4.669 6.017 1.00 0.00 O ATOM 1025 CB TYR A 65 2.691 -7.496 5.600 1.00 0.00 C ATOM 1026 CG TYR A 65 2.140 -8.390 6.690 1.00 0.00 C ATOM 1027 CD1 TYR A 65 1.226 -9.394 6.395 1.00 0.00 C ATOM 1028 CD2 TYR A 65 2.542 -8.234 8.009 1.00 0.00 C ATOM 1029 CE1 TYR A 65 0.728 -10.216 7.389 1.00 0.00 C ATOM 1030 CE2 TYR A 65 2.048 -9.051 9.006 1.00 0.00 C ATOM 1031 CZ TYR A 65 1.142 -10.041 8.692 1.00 0.00 C ATOM 1032 OH TYR A 65 0.651 -10.858 9.684 1.00 0.00 O ATOM 0 H TYR A 65 2.809 -5.252 3.974 1.00 0.00 H new ATOM 0 HA TYR A 65 0.896 -7.477 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.273 -8.102 4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.376 -6.775 6.046 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.900 -9.534 5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.253 -7.461 8.260 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.017 -10.992 7.145 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.370 -8.915 10.028 1.00 0.00 H new ATOM 0 HH TYR A 65 1.045 -10.602 10.544 1.00 0.00 H new ATOM 1042 N VAL A 66 -0.330 -6.003 6.083 1.00 0.00 N ATOM 1043 CA VAL A 66 -1.112 -5.069 6.889 1.00 0.00 C ATOM 1044 C VAL A 66 -2.173 -5.787 7.720 1.00 0.00 C ATOM 1045 O VAL A 66 -2.448 -6.959 7.499 1.00 0.00 O ATOM 1046 CB VAL A 66 -1.818 -4.049 5.972 1.00 0.00 C ATOM 1047 CG1 VAL A 66 -2.486 -2.953 6.780 1.00 0.00 C ATOM 1048 CG2 VAL A 66 -0.839 -3.454 4.969 1.00 0.00 C ATOM 0 H VAL A 66 -0.816 -6.867 5.843 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.420 -4.566 7.564 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.594 -4.581 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.975 -2.250 6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.228 -3.393 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.736 -2.427 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.360 -2.738 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.034 -2.948 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.421 -4.250 4.352 1.00 0.00 H new ATOM 1058 N THR A 67 -2.772 -5.065 8.666 1.00 0.00 N ATOM 1059 CA THR A 67 -3.822 -5.614 9.522 1.00 0.00 C ATOM 1060 C THR A 67 -5.106 -4.817 9.320 1.00 0.00 C ATOM 1061 O THR A 67 -5.059 -3.612 9.071 1.00 0.00 O ATOM 1062 CB THR A 67 -3.386 -5.578 10.991 1.00 0.00 C ATOM 1063 OG1 THR A 67 -2.248 -6.395 11.194 1.00 0.00 O ATOM 1064 CG2 THR A 67 -4.453 -6.037 11.961 1.00 0.00 C ATOM 0 H THR A 67 -2.545 -4.090 8.860 1.00 0.00 H new ATOM 0 HA THR A 67 -4.003 -6.654 9.251 1.00 0.00 H new ATOM 0 HB THR A 67 -3.171 -4.529 11.193 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.676 -5.994 11.882 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.067 -5.982 12.979 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.329 -5.394 11.870 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.733 -7.066 11.734 1.00 0.00 H new ATOM 1072 N HIS A 68 -6.249 -5.491 9.387 1.00 0.00 N ATOM 1073 CA HIS A 68 -7.523 -4.820 9.163 1.00 0.00 C ATOM 1074 C HIS A 68 -8.694 -5.592 9.762 1.00 0.00 C ATOM 1075 O HIS A 68 -8.665 -6.818 9.865 1.00 0.00 O ATOM 1076 CB HIS A 68 -7.726 -4.656 7.664 1.00 0.00 C ATOM 1077 CG HIS A 68 -7.654 -5.957 6.933 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -8.700 -6.853 6.887 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -6.634 -6.537 6.257 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -8.328 -7.926 6.215 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -7.078 -7.761 5.820 1.00 0.00 N ATOM 0 H HIS A 68 -6.320 -6.488 9.592 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.493 -3.850 9.659 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -8.695 -4.192 7.480 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.969 -3.979 7.270 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -9.618 -6.709 7.307 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.653 -6.115 6.092 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.942 -8.793 6.021 1.00 0.00 H new ATOM 1090 N GLU A 69 -9.723 -4.847 10.148 1.00 0.00 N ATOM 1091 CA GLU A 69 -10.927 -5.420 10.734 1.00 0.00 C ATOM 1092 C GLU A 69 -11.556 -6.459 9.805 1.00 0.00 C ATOM 1093 O GLU A 69 -11.389 -6.402 8.587 1.00 0.00 O ATOM 1094 CB GLU A 69 -11.922 -4.301 11.035 1.00 0.00 C ATOM 1095 CG GLU A 69 -13.237 -4.783 11.621 1.00 0.00 C ATOM 1096 CD GLU A 69 -13.052 -5.548 12.917 1.00 0.00 C ATOM 1097 OE1 GLU A 69 -12.513 -4.964 13.881 1.00 0.00 O ATOM 1098 OE2 GLU A 69 -13.448 -6.731 12.967 1.00 0.00 O ATOM 0 H GLU A 69 -9.746 -3.831 10.064 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.658 -5.929 11.660 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.463 -3.598 11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.126 -3.753 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.887 -3.926 11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.742 -5.421 10.896 1.00 0.00 H new ATOM 1105 N THR A 70 -12.270 -7.413 10.395 1.00 0.00 N ATOM 1106 CA THR A 70 -12.918 -8.479 9.633 1.00 0.00 C ATOM 1107 C THR A 70 -13.879 -7.931 8.578 1.00 0.00 C ATOM 1108 O THR A 70 -14.580 -6.946 8.807 1.00 0.00 O ATOM 1109 CB THR A 70 -13.680 -9.414 10.573 1.00 0.00 C ATOM 1110 OG1 THR A 70 -14.639 -8.696 11.325 1.00 0.00 O ATOM 1111 CG2 THR A 70 -12.786 -10.147 11.546 1.00 0.00 C ATOM 0 H THR A 70 -12.416 -7.471 11.403 1.00 0.00 H new ATOM 0 HA THR A 70 -12.129 -9.028 9.119 1.00 0.00 H new ATOM 0 HB THR A 70 -14.157 -10.148 9.924 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.182 -8.072 11.927 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.392 -10.792 12.182 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.067 -10.753 10.994 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.253 -9.425 12.165 1.00 0.00 H new ATOM 1119 N LYS A 71 -13.910 -8.600 7.427 1.00 0.00 N ATOM 1120 CA LYS A 71 -14.789 -8.216 6.326 1.00 0.00 C ATOM 1121 C LYS A 71 -14.543 -6.780 5.874 1.00 0.00 C ATOM 1122 O LYS A 71 -15.430 -6.144 5.308 1.00 0.00 O ATOM 1123 CB LYS A 71 -16.255 -8.386 6.731 1.00 0.00 C ATOM 1124 CG LYS A 71 -16.704 -9.835 6.832 1.00 0.00 C ATOM 1125 CD LYS A 71 -15.869 -10.621 7.827 1.00 0.00 C ATOM 1126 CE LYS A 71 -16.365 -12.051 7.957 1.00 0.00 C ATOM 1127 NZ LYS A 71 -15.561 -12.833 8.935 1.00 0.00 N ATOM 0 H LYS A 71 -13.331 -9.417 7.233 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.563 -8.875 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.414 -7.899 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -16.884 -7.871 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.752 -9.870 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.636 -10.305 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.827 -10.623 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.904 -10.132 8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.410 -12.046 8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.325 -12.538 6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.933 -13.803 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.569 -12.861 8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.619 -12.383 9.871 1.00 0.00 H new ATOM 1141 N HIS A 72 -13.336 -6.282 6.109 1.00 0.00 N ATOM 1142 CA HIS A 72 -12.982 -4.924 5.713 1.00 0.00 C ATOM 1143 C HIS A 72 -11.750 -4.925 4.811 1.00 0.00 C ATOM 1144 O HIS A 72 -10.760 -4.254 5.098 1.00 0.00 O ATOM 1145 CB HIS A 72 -12.727 -4.051 6.946 1.00 0.00 C ATOM 1146 CG HIS A 72 -13.958 -3.753 7.755 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -13.941 -2.959 8.886 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -15.246 -4.140 7.595 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -15.161 -2.877 9.384 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -15.971 -3.583 8.620 1.00 0.00 N ATOM 0 H HIS A 72 -12.586 -6.797 6.571 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.821 -4.508 5.155 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.998 -4.549 7.585 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -12.280 -3.110 6.625 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -15.632 -4.770 6.807 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -15.447 -2.325 10.267 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -16.974 -3.697 8.766 1.00 0.00 H new ATOM 1159 N PHE A 73 -11.813 -5.687 3.719 1.00 0.00 N ATOM 1160 CA PHE A 73 -10.692 -5.774 2.785 1.00 0.00 C ATOM 1161 C PHE A 73 -11.119 -6.425 1.471 1.00 0.00 C ATOM 1162 O PHE A 73 -12.008 -7.277 1.449 1.00 0.00 O ATOM 1163 CB PHE A 73 -9.538 -6.556 3.421 1.00 0.00 C ATOM 1164 CG PHE A 73 -8.350 -6.739 2.517 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -8.413 -7.598 1.431 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -7.172 -6.049 2.753 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -7.322 -7.765 0.599 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -6.080 -6.212 1.924 1.00 0.00 C ATOM 1169 CZ PHE A 73 -6.154 -7.071 0.846 1.00 0.00 C ATOM 0 H PHE A 73 -12.624 -6.250 3.461 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.354 -4.762 2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.217 -6.039 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.903 -7.536 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.324 -8.143 1.233 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.107 -5.376 3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.383 -8.438 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.168 -5.667 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.300 -7.200 0.197 1.00 0.00 H new ATOM 1179 N ILE A 74 -10.485 -6.010 0.373 1.00 0.00 N ATOM 1180 CA ILE A 74 -10.810 -6.553 -0.942 1.00 0.00 C ATOM 1181 C ILE A 74 -9.752 -6.193 -1.986 1.00 0.00 C ATOM 1182 O ILE A 74 -9.375 -5.031 -2.135 1.00 0.00 O ATOM 1183 CB ILE A 74 -12.185 -6.040 -1.426 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -12.480 -6.529 -2.846 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -12.233 -4.521 -1.366 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -13.825 -6.082 -3.370 1.00 0.00 C ATOM 0 H ILE A 74 -9.749 -5.304 0.370 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.839 -7.637 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 74 -12.952 -6.440 -0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -11.700 -6.168 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.436 -7.618 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -13.207 -4.174 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.072 -4.192 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.454 -4.107 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -13.967 -6.464 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -14.614 -6.466 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.866 -4.993 -3.385 1.00 0.00 H new ATOM 1198 N TYR A 75 -9.297 -7.208 -2.721 1.00 0.00 N ATOM 1199 CA TYR A 75 -8.303 -7.021 -3.775 1.00 0.00 C ATOM 1200 C TYR A 75 -8.940 -7.308 -5.130 1.00 0.00 C ATOM 1201 O TYR A 75 -9.748 -8.228 -5.256 1.00 0.00 O ATOM 1202 CB TYR A 75 -7.106 -7.948 -3.557 1.00 0.00 C ATOM 1203 CG TYR A 75 -5.981 -7.743 -4.545 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -5.319 -6.526 -4.636 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -5.577 -8.774 -5.385 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -4.286 -6.340 -5.537 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -4.547 -8.597 -6.288 1.00 0.00 C ATOM 1208 CZ TYR A 75 -3.905 -7.379 -6.359 1.00 0.00 C ATOM 1209 OH TYR A 75 -2.876 -7.200 -7.255 1.00 0.00 O ATOM 0 H TYR A 75 -9.604 -8.174 -2.604 1.00 0.00 H new ATOM 0 HA TYR A 75 -7.950 -5.990 -3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.722 -7.797 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.445 -8.982 -3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.616 -5.711 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -6.077 -9.730 -5.331 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.781 -5.387 -5.596 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.246 -9.408 -6.935 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.732 -8.029 -7.758 1.00 0.00 H new ATOM 1219 N PHE A 76 -8.592 -6.521 -6.142 1.00 0.00 N ATOM 1220 CA PHE A 76 -9.166 -6.716 -7.468 1.00 0.00 C ATOM 1221 C PHE A 76 -8.434 -5.897 -8.528 1.00 0.00 C ATOM 1222 O PHE A 76 -8.090 -4.737 -8.310 1.00 0.00 O ATOM 1223 CB PHE A 76 -10.651 -6.347 -7.447 1.00 0.00 C ATOM 1224 CG PHE A 76 -10.913 -4.917 -7.060 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -10.572 -4.450 -5.801 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -11.497 -4.042 -7.961 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -10.812 -3.136 -5.447 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -11.739 -2.726 -7.612 1.00 0.00 C ATOM 1229 CZ PHE A 76 -11.396 -2.272 -6.353 1.00 0.00 C ATOM 0 H PHE A 76 -7.925 -5.753 -6.072 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.054 -7.768 -7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.076 -6.531 -8.434 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.170 -7.004 -6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.114 -5.120 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.766 -4.391 -8.947 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.543 -2.784 -4.462 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.196 -2.054 -8.323 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.584 -1.245 -6.078 1.00 0.00 H new ATOM 1239 N TYR A 77 -8.207 -6.520 -9.683 1.00 0.00 N ATOM 1240 CA TYR A 77 -7.524 -5.869 -10.795 1.00 0.00 C ATOM 1241 C TYR A 77 -8.480 -4.953 -11.555 1.00 0.00 C ATOM 1242 O TYR A 77 -9.669 -5.246 -11.671 1.00 0.00 O ATOM 1243 CB TYR A 77 -6.932 -6.911 -11.750 1.00 0.00 C ATOM 1244 CG TYR A 77 -5.978 -7.879 -11.084 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -6.434 -8.826 -10.174 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -4.618 -7.844 -11.363 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -5.563 -9.707 -9.562 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -3.741 -8.723 -10.757 1.00 0.00 C ATOM 1249 CZ TYR A 77 -4.218 -9.653 -9.857 1.00 0.00 C ATOM 1250 OH TYR A 77 -3.347 -10.528 -9.250 1.00 0.00 O ATOM 0 H TYR A 77 -8.489 -7.482 -9.872 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.714 -5.267 -10.385 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.745 -7.474 -12.208 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.408 -6.396 -12.555 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.488 -8.874 -9.941 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.239 -7.117 -12.066 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.935 -10.435 -8.856 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.687 -8.682 -10.987 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.436 -10.357 -9.569 1.00 0.00 H new ATOM 1260 N LEU A 78 -7.955 -3.844 -12.066 1.00 0.00 N ATOM 1261 CA LEU A 78 -8.770 -2.885 -12.810 1.00 0.00 C ATOM 1262 C LEU A 78 -7.909 -1.827 -13.492 1.00 0.00 C ATOM 1263 O LEU A 78 -6.938 -1.334 -12.918 1.00 0.00 O ATOM 1264 CB LEU A 78 -9.772 -2.208 -11.874 1.00 0.00 C ATOM 1265 CG LEU A 78 -10.624 -1.112 -12.517 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -11.342 -1.638 -13.753 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -11.624 -0.561 -11.511 1.00 0.00 C ATOM 0 H LEU A 78 -6.972 -3.586 -11.980 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.305 -3.436 -13.583 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.436 -2.970 -11.466 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.227 -1.777 -11.034 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.963 -0.303 -12.829 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.941 -0.841 -14.193 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.608 -1.984 -14.481 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.991 -2.467 -13.471 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.223 0.218 -11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.277 -1.364 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.089 -0.141 -10.659 1.00 0.00 H new ATOM 1279 N GLY A 79 -8.282 -1.474 -14.722 1.00 0.00 N ATOM 1280 CA GLY A 79 -7.550 -0.468 -15.467 1.00 0.00 C ATOM 1281 C GLY A 79 -6.079 -0.799 -15.602 1.00 0.00 C ATOM 1282 O GLY A 79 -5.222 0.070 -15.439 1.00 0.00 O ATOM 0 H GLY A 79 -9.082 -1.871 -15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.988 -0.366 -16.460 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.658 0.496 -14.970 1.00 0.00 H new ATOM 1286 N GLN A 80 -5.788 -2.058 -15.896 1.00 0.00 N ATOM 1287 CA GLN A 80 -4.414 -2.510 -16.047 1.00 0.00 C ATOM 1288 C GLN A 80 -3.595 -2.169 -14.807 1.00 0.00 C ATOM 1289 O GLN A 80 -2.404 -1.865 -14.897 1.00 0.00 O ATOM 1290 CB GLN A 80 -3.776 -1.877 -17.285 1.00 0.00 C ATOM 1291 CG GLN A 80 -4.500 -2.203 -18.580 1.00 0.00 C ATOM 1292 CD GLN A 80 -4.537 -3.691 -18.871 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -5.084 -4.475 -18.094 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -3.952 -4.089 -19.994 1.00 0.00 N ATOM 0 H GLN A 80 -6.488 -2.786 -16.035 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.425 -3.593 -16.170 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -3.750 -0.795 -17.156 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.742 -2.214 -17.362 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.520 -1.822 -18.527 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.009 -1.688 -19.406 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.511 -3.405 -20.609 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.944 -5.078 -20.242 1.00 0.00 H new ATOM 1303 N VAL A 81 -4.245 -2.229 -13.649 1.00 0.00 N ATOM 1304 CA VAL A 81 -3.591 -1.933 -12.381 1.00 0.00 C ATOM 1305 C VAL A 81 -4.355 -2.567 -11.224 1.00 0.00 C ATOM 1306 O VAL A 81 -5.575 -2.443 -11.130 1.00 0.00 O ATOM 1307 CB VAL A 81 -3.475 -0.414 -12.140 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -2.575 0.228 -13.186 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -4.848 0.238 -12.140 1.00 0.00 C ATOM 0 H VAL A 81 -5.230 -2.481 -13.564 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.587 -2.353 -12.433 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.025 -0.258 -11.160 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.506 1.300 -12.998 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.580 -0.215 -13.131 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.993 0.059 -14.178 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.742 1.309 -11.968 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.330 0.071 -13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.458 -0.198 -11.349 1.00 0.00 H new ATOM 1319 N ALA A 82 -3.629 -3.256 -10.353 1.00 0.00 N ATOM 1320 CA ALA A 82 -4.240 -3.920 -9.209 1.00 0.00 C ATOM 1321 C ALA A 82 -4.742 -2.915 -8.181 1.00 0.00 C ATOM 1322 O ALA A 82 -3.977 -2.095 -7.676 1.00 0.00 O ATOM 1323 CB ALA A 82 -3.248 -4.878 -8.570 1.00 0.00 C ATOM 0 H ALA A 82 -2.617 -3.370 -10.417 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.101 -4.483 -9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.715 -5.369 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.946 -5.629 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.371 -4.324 -8.235 1.00 0.00 H new ATOM 1329 N ILE A 83 -6.031 -2.996 -7.866 1.00 0.00 N ATOM 1330 CA ILE A 83 -6.637 -2.104 -6.885 1.00 0.00 C ATOM 1331 C ILE A 83 -6.783 -2.807 -5.539 1.00 0.00 C ATOM 1332 O ILE A 83 -6.961 -4.023 -5.478 1.00 0.00 O ATOM 1333 CB ILE A 83 -8.019 -1.596 -7.349 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -7.883 -0.813 -8.658 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -8.660 -0.728 -6.275 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -9.189 -0.231 -9.152 1.00 0.00 C ATOM 0 H ILE A 83 -6.676 -3.671 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.973 -1.246 -6.780 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.664 -2.458 -7.522 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.165 -0.005 -8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.475 -1.471 -9.425 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.633 -0.380 -6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.787 -1.312 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.020 0.130 -6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.017 0.310 -10.083 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.903 -1.036 -9.326 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.589 0.453 -8.403 1.00 0.00 H new ATOM 1348 N LEU A 84 -6.702 -2.034 -4.463 1.00 0.00 N ATOM 1349 CA LEU A 84 -6.822 -2.584 -3.119 1.00 0.00 C ATOM 1350 C LEU A 84 -7.576 -1.626 -2.203 1.00 0.00 C ATOM 1351 O LEU A 84 -7.398 -0.410 -2.275 1.00 0.00 O ATOM 1352 CB LEU A 84 -5.435 -2.875 -2.542 1.00 0.00 C ATOM 1353 CG LEU A 84 -5.427 -3.459 -1.128 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -6.140 -4.803 -1.099 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -4.000 -3.599 -0.619 1.00 0.00 C ATOM 0 H LEU A 84 -6.554 -1.025 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.386 -3.515 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.921 -3.569 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.859 -1.950 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.962 -2.775 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.123 -5.202 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.173 -4.674 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.635 -5.497 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.012 -4.016 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.442 -4.262 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.523 -2.619 -0.600 1.00 0.00 H new ATOM 1367 N LEU A 85 -8.422 -2.185 -1.345 1.00 0.00 N ATOM 1368 CA LEU A 85 -9.209 -1.390 -0.413 1.00 0.00 C ATOM 1369 C LEU A 85 -9.493 -2.184 0.856 1.00 0.00 C ATOM 1370 O LEU A 85 -9.781 -3.379 0.800 1.00 0.00 O ATOM 1371 CB LEU A 85 -10.525 -0.953 -1.059 1.00 0.00 C ATOM 1372 CG LEU A 85 -11.435 -0.111 -0.163 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -10.744 1.185 0.232 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -12.753 0.176 -0.864 1.00 0.00 C ATOM 0 H LEU A 85 -8.580 -3.190 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.634 -0.502 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.299 -0.383 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.071 -1.842 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.645 -0.677 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -11.406 1.771 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.826 0.957 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.503 1.757 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.388 0.776 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.562 0.722 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.255 -0.764 -1.095 1.00 0.00 H new ATOM 1386 N PHE A 86 -9.400 -1.516 2.000 1.00 0.00 N ATOM 1387 CA PHE A 86 -9.642 -2.171 3.280 1.00 0.00 C ATOM 1388 C PHE A 86 -9.640 -1.162 4.423 1.00 0.00 C ATOM 1389 O PHE A 86 -8.646 -0.476 4.657 1.00 0.00 O ATOM 1390 CB PHE A 86 -8.581 -3.249 3.533 1.00 0.00 C ATOM 1391 CG PHE A 86 -7.167 -2.738 3.512 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -6.589 -2.287 2.335 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -6.415 -2.713 4.673 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -5.288 -1.822 2.318 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -5.113 -2.251 4.663 1.00 0.00 C ATOM 1396 CZ PHE A 86 -4.549 -1.804 3.485 1.00 0.00 C ATOM 0 H PHE A 86 -9.160 -0.527 2.068 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.626 -2.638 3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.774 -3.713 4.500 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.685 -4.029 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.163 -2.299 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.851 -3.059 5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.850 -1.473 1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.537 -2.240 5.576 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.532 -1.441 3.476 1.00 0.00 H new ATOM 1406 N LYS A 87 -10.762 -1.077 5.134 1.00 0.00 N ATOM 1407 CA LYS A 87 -10.890 -0.150 6.252 1.00 0.00 C ATOM 1408 C LYS A 87 -10.367 -0.756 7.544 1.00 0.00 C ATOM 1409 O LYS A 87 -10.080 -1.950 7.618 1.00 0.00 O ATOM 1410 CB LYS A 87 -12.343 0.280 6.450 1.00 0.00 C ATOM 1411 CG LYS A 87 -13.265 -0.865 6.833 1.00 0.00 C ATOM 1412 CD LYS A 87 -14.674 -0.388 7.166 1.00 0.00 C ATOM 1413 CE LYS A 87 -14.722 0.419 8.458 1.00 0.00 C ATOM 1414 NZ LYS A 87 -14.147 1.784 8.298 1.00 0.00 N ATOM 0 H LYS A 87 -11.594 -1.639 4.955 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.288 0.724 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.385 1.045 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.707 0.738 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.311 -1.581 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.849 -1.391 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.052 0.222 6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.336 -1.250 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.756 0.500 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.175 -0.114 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.215 1.824 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.043 2.000 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.781 2.481 8.738 1.00 0.00 H new ATOM 1428 N SER A 88 -10.257 0.085 8.565 1.00 0.00 N ATOM 1429 CA SER A 88 -9.778 -0.351 9.870 1.00 0.00 C ATOM 1430 C SER A 88 -10.330 0.542 10.973 1.00 0.00 C ATOM 1431 O SER A 88 -10.264 1.769 10.887 1.00 0.00 O ATOM 1432 CB SER A 88 -8.251 -0.325 9.903 1.00 0.00 C ATOM 1433 OG SER A 88 -7.759 -0.771 11.155 1.00 0.00 O ATOM 0 H SER A 88 -10.494 1.076 8.514 1.00 0.00 H new ATOM 0 HA SER A 88 -10.126 -1.370 10.039 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.856 -0.957 9.108 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.897 0.688 9.710 1.00 0.00 H new ATOM 0 HG SER A 88 -6.779 -0.746 11.149 1.00 0.00 H new ATOM 1536 N ALA B 6 19.487 3.651 2.489 1.00 0.00 N ATOM 1537 CA ALA B 6 18.092 3.985 2.219 1.00 0.00 C ATOM 1538 C ALA B 6 17.835 5.476 2.397 1.00 0.00 C ATOM 1539 O ALA B 6 18.269 6.075 3.383 1.00 0.00 O ATOM 1540 CB ALA B 6 17.175 3.183 3.126 1.00 0.00 C ATOM 0 HA ALA B 6 17.880 3.729 1.181 1.00 0.00 H new ATOM 0 HB1 ALA B 6 16.137 3.441 2.915 1.00 0.00 H new ATOM 0 HB2 ALA B 6 17.327 2.118 2.948 1.00 0.00 H new ATOM 0 HB3 ALA B 6 17.401 3.413 4.167 1.00 0.00 H new ATOM 1546 N VAL B 7 17.128 6.074 1.442 1.00 0.00 N ATOM 1547 CA VAL B 7 16.819 7.491 1.501 1.00 0.00 C ATOM 1548 C VAL B 7 15.424 7.746 2.061 1.00 0.00 C ATOM 1549 O VAL B 7 14.466 7.057 1.712 1.00 0.00 O ATOM 1550 CB VAL B 7 16.917 8.140 0.118 1.00 0.00 C ATOM 1551 CG1 VAL B 7 18.352 8.140 -0.381 1.00 0.00 C ATOM 1552 CG2 VAL B 7 15.999 7.436 -0.871 1.00 0.00 C ATOM 0 H VAL B 7 16.760 5.595 0.620 1.00 0.00 H new ATOM 0 HA VAL B 7 17.557 7.936 2.168 1.00 0.00 H new ATOM 0 HB VAL B 7 16.593 9.177 0.206 1.00 0.00 H new ATOM 0 HG11 VAL B 7 18.395 8.606 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL B 7 18.979 8.700 0.313 1.00 0.00 H new ATOM 0 HG13 VAL B 7 18.713 7.114 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL B 7 16.083 7.912 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL B 7 16.287 6.388 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL B 7 14.968 7.503 -0.522 1.00 0.00 H new ATOM 1562 N ILE B 8 15.321 8.756 2.915 1.00 0.00 N ATOM 1563 CA ILE B 8 14.046 9.130 3.517 1.00 0.00 C ATOM 1564 C ILE B 8 13.239 10.004 2.561 1.00 0.00 C ATOM 1565 O ILE B 8 13.802 10.797 1.805 1.00 0.00 O ATOM 1566 CB ILE B 8 14.248 9.868 4.863 1.00 0.00 C ATOM 1567 CG1 ILE B 8 14.797 8.909 5.921 1.00 0.00 C ATOM 1568 CG2 ILE B 8 12.944 10.492 5.344 1.00 0.00 C ATOM 1569 CD1 ILE B 8 16.135 8.299 5.562 1.00 0.00 C ATOM 0 H ILE B 8 16.109 9.334 3.208 1.00 0.00 H new ATOM 0 HA ILE B 8 13.494 8.211 3.714 1.00 0.00 H new ATOM 0 HB ILE B 8 14.971 10.668 4.704 1.00 0.00 H new ATOM 0 HG12 ILE B 8 14.894 9.444 6.866 1.00 0.00 H new ATOM 0 HG13 ILE B 8 14.075 8.108 6.081 1.00 0.00 H new ATOM 0 HG21 ILE B 8 13.113 11.004 6.291 1.00 0.00 H new ATOM 0 HG22 ILE B 8 12.588 11.208 4.603 1.00 0.00 H new ATOM 0 HG23 ILE B 8 12.196 9.711 5.482 1.00 0.00 H new ATOM 0 HD11 ILE B 8 16.457 7.632 6.361 1.00 0.00 H new ATOM 0 HD12 ILE B 8 16.040 7.735 4.634 1.00 0.00 H new ATOM 0 HD13 ILE B 8 16.873 9.091 5.432 1.00 0.00 H new ATOM 1581 N LYS B 9 11.918 9.849 2.589 1.00 0.00 N ATOM 1582 CA LYS B 9 11.045 10.622 1.712 1.00 0.00 C ATOM 1583 C LYS B 9 9.911 11.283 2.494 1.00 0.00 C ATOM 1584 O LYS B 9 9.545 12.425 2.224 1.00 0.00 O ATOM 1585 CB LYS B 9 10.464 9.717 0.622 1.00 0.00 C ATOM 1586 CG LYS B 9 9.724 10.473 -0.465 1.00 0.00 C ATOM 1587 CD LYS B 9 10.652 11.420 -1.211 1.00 0.00 C ATOM 1588 CE LYS B 9 9.916 12.170 -2.310 1.00 0.00 C ATOM 1589 NZ LYS B 9 10.814 13.103 -3.043 1.00 0.00 N ATOM 0 H LYS B 9 11.431 9.199 3.206 1.00 0.00 H new ATOM 0 HA LYS B 9 11.643 11.409 1.253 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.273 9.144 0.168 1.00 0.00 H new ATOM 0 HB3 LYS B 9 9.784 9.000 1.081 1.00 0.00 H new ATOM 0 HG2 LYS B 9 9.283 9.765 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS B 9 8.903 11.038 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.086 12.133 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.478 10.856 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.485 11.455 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS B 9 9.088 12.730 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 10.274 13.595 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 11.206 13.801 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 11.591 12.566 -3.479 1.00 0.00 H new ATOM 1603 N ASN B 10 9.355 10.557 3.460 1.00 0.00 N ATOM 1604 CA ASN B 10 8.258 11.079 4.271 1.00 0.00 C ATOM 1605 C ASN B 10 8.489 10.806 5.754 1.00 0.00 C ATOM 1606 O ASN B 10 7.631 10.241 6.434 1.00 0.00 O ATOM 1607 CB ASN B 10 6.930 10.464 3.827 1.00 0.00 C ATOM 1608 CG ASN B 10 6.569 10.848 2.408 1.00 0.00 C ATOM 1609 OD1 ASN B 10 6.448 9.854 1.538 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 6.402 12.027 2.096 1.00 0.00 N flip ATOM 0 H ASN B 10 9.644 9.609 3.700 1.00 0.00 H new ATOM 0 HA ASN B 10 8.219 12.159 4.125 1.00 0.00 H new ATOM 0 HB2 ASN B 10 6.990 9.378 3.904 1.00 0.00 H new ATOM 0 HB3 ASN B 10 6.138 10.788 4.502 1.00 0.00 H new ATOM 0 HD21 ASN B 10 6.505 12.760 2.798 1.00 0.00 H new ATOM 0 HD22 ASN B 10 6.160 12.271 1.136 1.00 0.00 H new ATOM 1617 N ALA B 11 9.652 11.212 6.250 1.00 0.00 N ATOM 1618 CA ALA B 11 9.992 11.014 7.652 1.00 0.00 C ATOM 1619 C ALA B 11 8.955 11.661 8.565 1.00 0.00 C ATOM 1620 O ALA B 11 8.497 12.775 8.310 1.00 0.00 O ATOM 1621 CB ALA B 11 11.376 11.573 7.944 1.00 0.00 C ATOM 0 H ALA B 11 10.374 11.680 5.702 1.00 0.00 H new ATOM 0 HA ALA B 11 9.996 9.942 7.851 1.00 0.00 H new ATOM 0 HB1 ALA B 11 11.617 11.418 8.996 1.00 0.00 H new ATOM 0 HB2 ALA B 11 12.113 11.062 7.324 1.00 0.00 H new ATOM 0 HB3 ALA B 11 11.392 12.640 7.722 1.00 0.00 H new ATOM 1627 N ASP B 12 8.586 10.952 9.623 1.00 0.00 N ATOM 1628 CA ASP B 12 7.600 11.448 10.577 1.00 0.00 C ATOM 1629 C ASP B 12 7.457 10.479 11.744 1.00 0.00 C ATOM 1630 O ASP B 12 6.359 10.026 12.064 1.00 0.00 O ATOM 1631 CB ASP B 12 6.251 11.650 9.884 1.00 0.00 C ATOM 1632 CG ASP B 12 5.182 12.162 10.830 1.00 0.00 C ATOM 1633 OD1 ASP B 12 5.370 13.255 11.403 1.00 0.00 O ATOM 1634 OD2 ASP B 12 4.155 11.471 10.997 1.00 0.00 O ATOM 0 H ASP B 12 8.956 10.027 9.844 1.00 0.00 H new ATOM 0 HA ASP B 12 7.941 12.408 10.965 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.371 12.355 9.061 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.925 10.705 9.449 1.00 0.00 H new ATOM 1639 N MET B 13 8.585 10.157 12.370 1.00 0.00 N ATOM 1640 CA MET B 13 8.603 9.233 13.495 1.00 0.00 C ATOM 1641 C MET B 13 9.963 9.264 14.186 1.00 0.00 C ATOM 1642 O MET B 13 10.977 9.565 13.557 1.00 0.00 O ATOM 1643 CB MET B 13 8.285 7.817 13.012 1.00 0.00 C ATOM 1644 CG MET B 13 8.122 6.809 14.137 1.00 0.00 C ATOM 1645 SD MET B 13 7.828 5.134 13.535 1.00 0.00 S ATOM 1646 CE MET B 13 6.283 5.340 12.651 1.00 0.00 C ATOM 0 H MET B 13 9.501 10.525 12.114 1.00 0.00 H new ATOM 0 HA MET B 13 7.844 9.539 14.214 1.00 0.00 H new ATOM 0 HB2 MET B 13 7.369 7.841 12.422 1.00 0.00 H new ATOM 0 HB3 MET B 13 9.082 7.482 12.348 1.00 0.00 H new ATOM 0 HG2 MET B 13 9.018 6.815 14.758 1.00 0.00 H new ATOM 0 HG3 MET B 13 7.291 7.113 14.774 1.00 0.00 H new ATOM 0 HE1 MET B 13 6.245 4.639 11.817 1.00 0.00 H new ATOM 0 HE2 MET B 13 5.449 5.147 13.326 1.00 0.00 H new ATOM 0 HE3 MET B 13 6.214 6.359 12.271 1.00 0.00 H new ATOM 1656 N SER B 14 9.977 8.964 15.484 1.00 0.00 N ATOM 1657 CA SER B 14 11.214 8.969 16.270 1.00 0.00 C ATOM 1658 C SER B 14 12.385 8.361 15.495 1.00 0.00 C ATOM 1659 O SER B 14 12.228 7.366 14.786 1.00 0.00 O ATOM 1660 CB SER B 14 11.007 8.206 17.579 1.00 0.00 C ATOM 1661 OG SER B 14 9.990 8.805 18.364 1.00 0.00 O ATOM 0 H SER B 14 9.144 8.713 16.017 1.00 0.00 H new ATOM 0 HA SER B 14 11.461 10.008 16.486 1.00 0.00 H new ATOM 0 HB2 SER B 14 10.741 7.171 17.362 1.00 0.00 H new ATOM 0 HB3 SER B 14 11.940 8.184 18.142 1.00 0.00 H new ATOM 0 HG SER B 14 9.876 8.297 19.194 1.00 0.00 H new ATOM 1667 N GLU B 15 13.559 8.978 15.636 1.00 0.00 N ATOM 1668 CA GLU B 15 14.770 8.522 14.952 1.00 0.00 C ATOM 1669 C GLU B 15 15.017 7.038 15.172 1.00 0.00 C ATOM 1670 O GLU B 15 15.369 6.316 14.240 1.00 0.00 O ATOM 1671 CB GLU B 15 15.979 9.325 15.433 1.00 0.00 C ATOM 1672 CG GLU B 15 16.238 9.200 16.926 1.00 0.00 C ATOM 1673 CD GLU B 15 17.441 10.003 17.378 1.00 0.00 C ATOM 1674 OE1 GLU B 15 18.554 9.739 16.877 1.00 0.00 O ATOM 1675 OE2 GLU B 15 17.270 10.898 18.233 1.00 0.00 O ATOM 0 H GLU B 15 13.697 9.801 16.222 1.00 0.00 H new ATOM 0 HA GLU B 15 14.625 8.683 13.884 1.00 0.00 H new ATOM 0 HB2 GLU B 15 16.864 8.993 14.890 1.00 0.00 H new ATOM 0 HB3 GLU B 15 15.828 10.376 15.186 1.00 0.00 H new ATOM 0 HG2 GLU B 15 15.356 9.534 17.473 1.00 0.00 H new ATOM 0 HG3 GLU B 15 16.391 8.151 17.178 1.00 0.00 H new ATOM 1682 N GLU B 16 14.841 6.587 16.401 1.00 0.00 N ATOM 1683 CA GLU B 16 15.056 5.184 16.726 1.00 0.00 C ATOM 1684 C GLU B 16 14.113 4.287 15.935 1.00 0.00 C ATOM 1685 O GLU B 16 14.519 3.243 15.429 1.00 0.00 O ATOM 1686 CB GLU B 16 14.876 4.948 18.226 1.00 0.00 C ATOM 1687 CG GLU B 16 13.495 5.316 18.740 1.00 0.00 C ATOM 1688 CD GLU B 16 13.343 5.075 20.228 1.00 0.00 C ATOM 1689 OE1 GLU B 16 14.101 5.685 21.009 1.00 0.00 O ATOM 1690 OE2 GLU B 16 12.463 4.273 20.613 1.00 0.00 O ATOM 0 H GLU B 16 14.551 7.167 17.189 1.00 0.00 H new ATOM 0 HA GLU B 16 16.079 4.929 16.450 1.00 0.00 H new ATOM 0 HB2 GLU B 16 15.068 3.898 18.445 1.00 0.00 H new ATOM 0 HB3 GLU B 16 15.623 5.528 18.768 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.299 6.366 18.524 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.745 4.735 18.203 1.00 0.00 H new ATOM 1697 N MET B 17 12.853 4.693 15.830 1.00 0.00 N ATOM 1698 CA MET B 17 11.868 3.910 15.098 1.00 0.00 C ATOM 1699 C MET B 17 12.216 3.843 13.616 1.00 0.00 C ATOM 1700 O MET B 17 12.266 2.764 13.028 1.00 0.00 O ATOM 1701 CB MET B 17 10.471 4.496 15.288 1.00 0.00 C ATOM 1702 CG MET B 17 10.045 4.590 16.743 1.00 0.00 C ATOM 1703 SD MET B 17 8.396 5.291 16.942 1.00 0.00 S ATOM 1704 CE MET B 17 8.226 5.252 18.726 1.00 0.00 C ATOM 0 H MET B 17 12.492 5.554 16.240 1.00 0.00 H new ATOM 0 HA MET B 17 11.880 2.896 15.497 1.00 0.00 H new ATOM 0 HB2 MET B 17 10.440 5.491 14.844 1.00 0.00 H new ATOM 0 HB3 MET B 17 9.752 3.882 14.746 1.00 0.00 H new ATOM 0 HG2 MET B 17 10.069 3.596 17.189 1.00 0.00 H new ATOM 0 HG3 MET B 17 10.763 5.202 17.289 1.00 0.00 H new ATOM 0 HE1 MET B 17 7.253 5.655 19.008 1.00 0.00 H new ATOM 0 HE2 MET B 17 8.308 4.223 19.077 1.00 0.00 H new ATOM 0 HE3 MET B 17 9.013 5.854 19.180 1.00 0.00 H new ATOM 1714 N GLN B 18 12.467 5.003 13.019 1.00 0.00 N ATOM 1715 CA GLN B 18 12.821 5.068 11.606 1.00 0.00 C ATOM 1716 C GLN B 18 14.148 4.367 11.356 1.00 0.00 C ATOM 1717 O GLN B 18 14.327 3.698 10.338 1.00 0.00 O ATOM 1718 CB GLN B 18 12.888 6.520 11.135 1.00 0.00 C ATOM 1719 CG GLN B 18 13.825 7.387 11.956 1.00 0.00 C ATOM 1720 CD GLN B 18 13.778 8.840 11.534 1.00 0.00 C ATOM 1721 OE1 GLN B 18 13.244 9.687 12.404 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 14.200 9.194 10.434 1.00 0.00 N flip ATOM 0 H GLN B 18 12.432 5.907 13.489 1.00 0.00 H new ATOM 0 HA GLN B 18 12.046 4.556 11.035 1.00 0.00 H new ATOM 0 HB2 GLN B 18 13.208 6.540 10.093 1.00 0.00 H new ATOM 0 HB3 GLN B 18 11.887 6.950 11.169 1.00 0.00 H new ATOM 0 HG2 GLN B 18 13.560 7.308 13.010 1.00 0.00 H new ATOM 0 HG3 GLN B 18 14.844 7.014 11.855 1.00 0.00 H new ATOM 0 HE21 GLN B 18 14.603 8.507 9.797 1.00 0.00 H new ATOM 0 HE22 GLN B 18 14.147 10.175 10.159 1.00 0.00 H new ATOM 1731 N GLN B 19 15.075 4.515 12.295 1.00 0.00 N ATOM 1732 CA GLN B 19 16.380 3.884 12.180 1.00 0.00 C ATOM 1733 C GLN B 19 16.258 2.372 12.328 1.00 0.00 C ATOM 1734 O GLN B 19 16.878 1.613 11.584 1.00 0.00 O ATOM 1735 CB GLN B 19 17.338 4.459 13.226 1.00 0.00 C ATOM 1736 CG GLN B 19 17.849 5.849 12.883 1.00 0.00 C ATOM 1737 CD GLN B 19 18.636 5.876 11.586 1.00 0.00 C ATOM 1738 OE1 GLN B 19 19.659 5.203 11.453 1.00 0.00 O ATOM 1739 NE2 GLN B 19 18.162 6.656 10.622 1.00 0.00 N ATOM 0 H GLN B 19 14.945 5.066 13.143 1.00 0.00 H new ATOM 0 HA GLN B 19 16.785 4.094 11.190 1.00 0.00 H new ATOM 0 HB2 GLN B 19 16.831 4.495 14.190 1.00 0.00 H new ATOM 0 HB3 GLN B 19 18.188 3.786 13.338 1.00 0.00 H new ATOM 0 HG2 GLN B 19 17.005 6.534 12.806 1.00 0.00 H new ATOM 0 HG3 GLN B 19 18.480 6.211 13.695 1.00 0.00 H new ATOM 0 HE21 GLN B 19 17.311 7.196 10.776 1.00 0.00 H new ATOM 0 HE22 GLN B 19 18.649 6.715 9.728 1.00 0.00 H new ATOM 1748 N ASP B 20 15.438 1.940 13.279 1.00 0.00 N ATOM 1749 CA ASP B 20 15.217 0.517 13.508 1.00 0.00 C ATOM 1750 C ASP B 20 14.470 -0.099 12.340 1.00 0.00 C ATOM 1751 O ASP B 20 14.736 -1.232 11.956 1.00 0.00 O ATOM 1752 CB ASP B 20 14.445 0.287 14.810 1.00 0.00 C ATOM 1753 CG ASP B 20 15.231 0.712 16.035 1.00 0.00 C ATOM 1754 OD1 ASP B 20 16.378 1.179 15.874 1.00 0.00 O ATOM 1755 OD2 ASP B 20 14.700 0.575 17.158 1.00 0.00 O ATOM 0 H ASP B 20 14.915 2.554 13.904 1.00 0.00 H new ATOM 0 HA ASP B 20 16.190 0.034 13.596 1.00 0.00 H new ATOM 0 HB2 ASP B 20 13.507 0.840 14.775 1.00 0.00 H new ATOM 0 HB3 ASP B 20 14.189 -0.769 14.895 1.00 0.00 H new ATOM 1760 N SER B 21 13.543 0.653 11.767 1.00 0.00 N ATOM 1761 CA SER B 21 12.781 0.165 10.627 1.00 0.00 C ATOM 1762 C SER B 21 13.710 -0.051 9.441 1.00 0.00 C ATOM 1763 O SER B 21 13.635 -1.071 8.754 1.00 0.00 O ATOM 1764 CB SER B 21 11.670 1.149 10.257 1.00 0.00 C ATOM 1765 OG SER B 21 10.939 0.693 9.134 1.00 0.00 O ATOM 0 H SER B 21 13.301 1.597 12.069 1.00 0.00 H new ATOM 0 HA SER B 21 12.319 -0.784 10.897 1.00 0.00 H new ATOM 0 HB2 SER B 21 10.997 1.278 11.105 1.00 0.00 H new ATOM 0 HB3 SER B 21 12.102 2.126 10.041 1.00 0.00 H new ATOM 0 HG SER B 21 10.343 1.405 8.821 1.00 0.00 H new ATOM 1771 N VAL B 22 14.598 0.912 9.219 1.00 0.00 N ATOM 1772 CA VAL B 22 15.557 0.828 8.131 1.00 0.00 C ATOM 1773 C VAL B 22 16.497 -0.351 8.339 1.00 0.00 C ATOM 1774 O VAL B 22 16.744 -1.135 7.423 1.00 0.00 O ATOM 1775 CB VAL B 22 16.379 2.127 8.011 1.00 0.00 C ATOM 1776 CG1 VAL B 22 17.366 2.047 6.857 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.458 3.328 7.850 1.00 0.00 C ATOM 0 H VAL B 22 14.671 1.760 9.781 1.00 0.00 H new ATOM 0 HA VAL B 22 14.996 0.684 7.207 1.00 0.00 H new ATOM 0 HB VAL B 22 16.951 2.251 8.931 1.00 0.00 H new ATOM 0 HG11 VAL B 22 17.931 2.977 6.797 1.00 0.00 H new ATOM 0 HG12 VAL B 22 18.051 1.216 7.021 1.00 0.00 H new ATOM 0 HG13 VAL B 22 16.824 1.891 5.924 1.00 0.00 H new ATOM 0 HG21 VAL B 22 16.055 4.236 7.767 1.00 0.00 H new ATOM 0 HG22 VAL B 22 14.855 3.206 6.950 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.803 3.403 8.718 1.00 0.00 H new ATOM 1787 N GLU B 23 17.007 -0.478 9.557 1.00 0.00 N ATOM 1788 CA GLU B 23 17.909 -1.571 9.896 1.00 0.00 C ATOM 1789 C GLU B 23 17.185 -2.906 9.809 1.00 0.00 C ATOM 1790 O GLU B 23 17.705 -3.871 9.249 1.00 0.00 O ATOM 1791 CB GLU B 23 18.489 -1.375 11.298 1.00 0.00 C ATOM 1792 CG GLU B 23 19.394 -0.160 11.420 1.00 0.00 C ATOM 1793 CD GLU B 23 19.935 0.029 12.824 1.00 0.00 C ATOM 1794 OE1 GLU B 23 19.596 -0.785 13.709 1.00 0.00 O ATOM 1795 OE2 GLU B 23 20.697 0.996 13.041 1.00 0.00 O ATOM 0 H GLU B 23 16.812 0.162 10.327 1.00 0.00 H new ATOM 0 HA GLU B 23 18.729 -1.572 9.178 1.00 0.00 H new ATOM 0 HB2 GLU B 23 17.670 -1.280 12.011 1.00 0.00 H new ATOM 0 HB3 GLU B 23 19.052 -2.266 11.577 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.227 -0.262 10.725 1.00 0.00 H new ATOM 0 HG3 GLU B 23 18.840 0.731 11.126 1.00 0.00 H new ATOM 1802 N CYS B 24 15.978 -2.951 10.361 1.00 0.00 N ATOM 1803 CA CYS B 24 15.176 -4.170 10.339 1.00 0.00 C ATOM 1804 C CYS B 24 14.834 -4.576 8.908 1.00 0.00 C ATOM 1805 O CYS B 24 14.778 -5.765 8.588 1.00 0.00 O ATOM 1806 CB CYS B 24 13.892 -3.988 11.154 1.00 0.00 C ATOM 1807 SG CYS B 24 14.162 -3.855 12.937 1.00 0.00 S ATOM 0 H CYS B 24 15.534 -2.161 10.828 1.00 0.00 H new ATOM 0 HA CYS B 24 15.769 -4.966 10.790 1.00 0.00 H new ATOM 0 HB2 CYS B 24 13.378 -3.091 10.807 1.00 0.00 H new ATOM 0 HB3 CYS B 24 13.229 -4.831 10.960 1.00 0.00 H new ATOM 0 HG CYS B 24 14.528 -2.643 13.231 1.00 0.00 H new ATOM 1813 N ALA B 25 14.619 -3.586 8.047 1.00 0.00 N ATOM 1814 CA ALA B 25 14.296 -3.852 6.656 1.00 0.00 C ATOM 1815 C ALA B 25 15.507 -4.425 5.945 1.00 0.00 C ATOM 1816 O ALA B 25 15.390 -5.312 5.099 1.00 0.00 O ATOM 1817 CB ALA B 25 13.822 -2.581 5.966 1.00 0.00 C ATOM 0 H ALA B 25 14.663 -2.596 8.290 1.00 0.00 H new ATOM 0 HA ALA B 25 13.488 -4.582 6.616 1.00 0.00 H new ATOM 0 HB1 ALA B 25 13.585 -2.799 4.925 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.932 -2.204 6.470 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.609 -1.829 6.009 1.00 0.00 H new ATOM 1823 N THR B 26 16.676 -3.909 6.304 1.00 0.00 N ATOM 1824 CA THR B 26 17.920 -4.363 5.712 1.00 0.00 C ATOM 1825 C THR B 26 18.147 -5.839 6.007 1.00 0.00 C ATOM 1826 O THR B 26 18.497 -6.617 5.119 1.00 0.00 O ATOM 1827 CB THR B 26 19.093 -3.533 6.237 1.00 0.00 C ATOM 1828 OG1 THR B 26 18.903 -2.159 5.951 1.00 0.00 O ATOM 1829 CG2 THR B 26 20.427 -3.942 5.651 1.00 0.00 C ATOM 0 H THR B 26 16.785 -3.175 7.004 1.00 0.00 H new ATOM 0 HA THR B 26 17.853 -4.233 4.632 1.00 0.00 H new ATOM 0 HB THR B 26 19.115 -3.714 7.312 1.00 0.00 H new ATOM 0 HG1 THR B 26 18.156 -1.814 6.483 1.00 0.00 H new ATOM 0 HG21 THR B 26 21.215 -3.313 6.066 1.00 0.00 H new ATOM 0 HG22 THR B 26 20.628 -4.985 5.897 1.00 0.00 H new ATOM 0 HG23 THR B 26 20.400 -3.823 4.568 1.00 0.00 H new ATOM 1837 N GLN B 27 17.939 -6.217 7.262 1.00 0.00 N ATOM 1838 CA GLN B 27 18.110 -7.602 7.682 1.00 0.00 C ATOM 1839 C GLN B 27 17.191 -8.512 6.885 1.00 0.00 C ATOM 1840 O GLN B 27 17.611 -9.555 6.383 1.00 0.00 O ATOM 1841 CB GLN B 27 17.805 -7.749 9.172 1.00 0.00 C ATOM 1842 CG GLN B 27 18.694 -6.901 10.066 1.00 0.00 C ATOM 1843 CD GLN B 27 18.365 -7.059 11.537 1.00 0.00 C ATOM 1844 OE1 GLN B 27 18.445 -8.156 12.088 1.00 0.00 O ATOM 1845 NE2 GLN B 27 17.992 -5.959 12.182 1.00 0.00 N ATOM 0 H GLN B 27 17.651 -5.583 8.007 1.00 0.00 H new ATOM 0 HA GLN B 27 19.146 -7.889 7.500 1.00 0.00 H new ATOM 0 HB2 GLN B 27 16.764 -7.478 9.349 1.00 0.00 H new ATOM 0 HB3 GLN B 27 17.915 -8.796 9.454 1.00 0.00 H new ATOM 0 HG2 GLN B 27 19.736 -7.174 9.900 1.00 0.00 H new ATOM 0 HG3 GLN B 27 18.591 -5.853 9.785 1.00 0.00 H new ATOM 0 HE21 GLN B 27 17.939 -5.070 11.685 1.00 0.00 H new ATOM 0 HE22 GLN B 27 17.758 -6.004 13.174 1.00 0.00 H new ATOM 1854 N ALA B 28 15.933 -8.105 6.773 1.00 0.00 N ATOM 1855 CA ALA B 28 14.942 -8.874 6.039 1.00 0.00 C ATOM 1856 C ALA B 28 15.409 -9.154 4.613 1.00 0.00 C ATOM 1857 O ALA B 28 15.232 -10.259 4.099 1.00 0.00 O ATOM 1858 CB ALA B 28 13.616 -8.136 6.031 1.00 0.00 C ATOM 0 H ALA B 28 15.576 -7.242 7.184 1.00 0.00 H new ATOM 0 HA ALA B 28 14.811 -9.833 6.540 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.879 -8.719 5.479 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.273 -7.993 7.056 1.00 0.00 H new ATOM 0 HB3 ALA B 28 13.743 -7.165 5.553 1.00 0.00 H new ATOM 1864 N LEU B 29 16.008 -8.151 3.981 1.00 0.00 N ATOM 1865 CA LEU B 29 16.502 -8.295 2.616 1.00 0.00 C ATOM 1866 C LEU B 29 17.581 -9.366 2.526 1.00 0.00 C ATOM 1867 O LEU B 29 17.546 -10.228 1.648 1.00 0.00 O ATOM 1868 CB LEU B 29 17.057 -6.964 2.107 1.00 0.00 C ATOM 1869 CG LEU B 29 16.003 -5.923 1.730 1.00 0.00 C ATOM 1870 CD1 LEU B 29 16.620 -4.534 1.673 1.00 0.00 C ATOM 1871 CD2 LEU B 29 15.369 -6.272 0.393 1.00 0.00 C ATOM 0 H LEU B 29 16.163 -7.230 4.391 1.00 0.00 H new ATOM 0 HA LEU B 29 15.662 -8.600 1.992 1.00 0.00 H new ATOM 0 HB2 LEU B 29 17.705 -6.541 2.875 1.00 0.00 H new ATOM 0 HB3 LEU B 29 17.681 -7.158 1.235 1.00 0.00 H new ATOM 0 HG LEU B 29 15.228 -5.926 2.496 1.00 0.00 H new ATOM 0 HD11 LEU B 29 15.854 -3.807 1.403 1.00 0.00 H new ATOM 0 HD12 LEU B 29 17.034 -4.280 2.649 1.00 0.00 H new ATOM 0 HD13 LEU B 29 17.414 -4.519 0.926 1.00 0.00 H new ATOM 0 HD21 LEU B 29 14.621 -5.522 0.138 1.00 0.00 H new ATOM 0 HD22 LEU B 29 16.138 -6.295 -0.379 1.00 0.00 H new ATOM 0 HD23 LEU B 29 14.893 -7.250 0.460 1.00 0.00 H new ATOM 1883 N GLU B 30 18.547 -9.296 3.430 1.00 0.00 N ATOM 1884 CA GLU B 30 19.650 -10.249 3.448 1.00 0.00 C ATOM 1885 C GLU B 30 19.182 -11.661 3.793 1.00 0.00 C ATOM 1886 O GLU B 30 19.758 -12.644 3.328 1.00 0.00 O ATOM 1887 CB GLU B 30 20.716 -9.802 4.451 1.00 0.00 C ATOM 1888 CG GLU B 30 21.315 -8.442 4.134 1.00 0.00 C ATOM 1889 CD GLU B 30 21.978 -8.402 2.772 1.00 0.00 C ATOM 1890 OE1 GLU B 30 22.929 -9.180 2.549 1.00 0.00 O ATOM 1891 OE2 GLU B 30 21.546 -7.591 1.925 1.00 0.00 O ATOM 0 H GLU B 30 18.590 -8.588 4.163 1.00 0.00 H new ATOM 0 HA GLU B 30 20.074 -10.273 2.444 1.00 0.00 H new ATOM 0 HB2 GLU B 30 20.276 -9.773 5.448 1.00 0.00 H new ATOM 0 HB3 GLU B 30 21.514 -10.544 4.476 1.00 0.00 H new ATOM 0 HG2 GLU B 30 20.532 -7.685 4.175 1.00 0.00 H new ATOM 0 HG3 GLU B 30 22.048 -8.184 4.899 1.00 0.00 H new ATOM 1898 N LYS B 31 18.152 -11.759 4.626 1.00 0.00 N ATOM 1899 CA LYS B 31 17.638 -13.056 5.047 1.00 0.00 C ATOM 1900 C LYS B 31 16.589 -13.605 4.081 1.00 0.00 C ATOM 1901 O LYS B 31 16.440 -14.820 3.956 1.00 0.00 O ATOM 1902 CB LYS B 31 17.065 -12.964 6.462 1.00 0.00 C ATOM 1903 CG LYS B 31 15.875 -12.032 6.578 1.00 0.00 C ATOM 1904 CD LYS B 31 15.507 -11.752 8.029 1.00 0.00 C ATOM 1905 CE LYS B 31 15.176 -13.027 8.794 1.00 0.00 C ATOM 1906 NZ LYS B 31 16.385 -13.850 9.076 1.00 0.00 N ATOM 0 H LYS B 31 17.658 -10.959 5.022 1.00 0.00 H new ATOM 0 HA LYS B 31 18.475 -13.754 5.042 1.00 0.00 H new ATOM 0 HB2 LYS B 31 16.768 -13.960 6.790 1.00 0.00 H new ATOM 0 HB3 LYS B 31 17.848 -12.625 7.140 1.00 0.00 H new ATOM 0 HG2 LYS B 31 16.100 -11.092 6.074 1.00 0.00 H new ATOM 0 HG3 LYS B 31 15.019 -12.472 6.066 1.00 0.00 H new ATOM 0 HD2 LYS B 31 16.335 -11.240 8.520 1.00 0.00 H new ATOM 0 HD3 LYS B 31 14.651 -11.078 8.062 1.00 0.00 H new ATOM 0 HE2 LYS B 31 14.689 -12.767 9.734 1.00 0.00 H new ATOM 0 HE3 LYS B 31 14.464 -13.618 8.219 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 16.336 -14.217 10.048 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 16.427 -14.645 8.407 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 17.237 -13.263 8.970 1.00 0.00 H new ATOM 1920 N TYR B 32 15.854 -12.722 3.406 1.00 0.00 N ATOM 1921 CA TYR B 32 14.823 -13.175 2.473 1.00 0.00 C ATOM 1922 C TYR B 32 14.891 -12.444 1.136 1.00 0.00 C ATOM 1923 O TYR B 32 14.862 -13.074 0.078 1.00 0.00 O ATOM 1924 CB TYR B 32 13.432 -12.992 3.078 1.00 0.00 C ATOM 1925 CG TYR B 32 13.194 -13.792 4.340 1.00 0.00 C ATOM 1926 CD1 TYR B 32 13.333 -15.173 4.351 1.00 0.00 C ATOM 1927 CD2 TYR B 32 12.819 -13.160 5.515 1.00 0.00 C ATOM 1928 CE1 TYR B 32 13.103 -15.901 5.503 1.00 0.00 C ATOM 1929 CE2 TYR B 32 12.587 -13.877 6.671 1.00 0.00 C ATOM 1930 CZ TYR B 32 12.730 -15.249 6.660 1.00 0.00 C ATOM 1931 OH TYR B 32 12.501 -15.971 7.810 1.00 0.00 O ATOM 0 H TYR B 32 15.949 -11.709 3.484 1.00 0.00 H new ATOM 0 HA TYR B 32 15.010 -14.233 2.290 1.00 0.00 H new ATOM 0 HB2 TYR B 32 13.280 -11.935 3.297 1.00 0.00 H new ATOM 0 HB3 TYR B 32 12.685 -13.275 2.336 1.00 0.00 H new ATOM 0 HD1 TYR B 32 13.625 -15.686 3.447 1.00 0.00 H new ATOM 0 HD2 TYR B 32 12.706 -12.086 5.526 1.00 0.00 H new ATOM 0 HE1 TYR B 32 13.215 -16.975 5.497 1.00 0.00 H new ATOM 0 HE2 TYR B 32 12.296 -13.368 7.578 1.00 0.00 H new ATOM 0 HH TYR B 32 12.248 -15.361 8.534 1.00 0.00 H new ATOM 1941 N ASN B 33 14.963 -11.118 1.185 1.00 0.00 N ATOM 1942 CA ASN B 33 15.017 -10.306 -0.029 1.00 0.00 C ATOM 1943 C ASN B 33 13.683 -10.344 -0.774 1.00 0.00 C ATOM 1944 O ASN B 33 13.642 -10.572 -1.984 1.00 0.00 O ATOM 1945 CB ASN B 33 16.147 -10.780 -0.951 1.00 0.00 C ATOM 1946 CG ASN B 33 16.282 -9.916 -2.192 1.00 0.00 C ATOM 1947 OD1 ASN B 33 16.526 -8.714 -2.101 1.00 0.00 O ATOM 1948 ND2 ASN B 33 16.123 -10.529 -3.359 1.00 0.00 N ATOM 0 H ASN B 33 14.985 -10.581 2.052 1.00 0.00 H new ATOM 0 HA ASN B 33 15.217 -9.277 0.270 1.00 0.00 H new ATOM 0 HB2 ASN B 33 17.088 -10.772 -0.402 1.00 0.00 H new ATOM 0 HB3 ASN B 33 15.961 -11.812 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN B 33 16.202 -10.000 -4.228 1.00 0.00 H new ATOM 0 HD22 ASN B 33 15.922 -11.529 -3.387 1.00 0.00 H new ATOM 1955 N ILE B 34 12.591 -10.113 -0.046 1.00 0.00 N ATOM 1956 CA ILE B 34 11.259 -10.113 -0.644 1.00 0.00 C ATOM 1957 C ILE B 34 10.436 -8.934 -0.129 1.00 0.00 C ATOM 1958 O ILE B 34 10.424 -8.641 1.063 1.00 0.00 O ATOM 1959 CB ILE B 34 10.509 -11.429 -0.358 1.00 0.00 C ATOM 1960 CG1 ILE B 34 11.331 -12.624 -0.843 1.00 0.00 C ATOM 1961 CG2 ILE B 34 9.141 -11.417 -1.026 1.00 0.00 C ATOM 1962 CD1 ILE B 34 11.614 -12.599 -2.330 1.00 0.00 C ATOM 0 H ILE B 34 12.604 -9.924 0.956 1.00 0.00 H new ATOM 0 HA ILE B 34 11.390 -10.018 -1.722 1.00 0.00 H new ATOM 0 HB ILE B 34 10.366 -11.521 0.719 1.00 0.00 H new ATOM 0 HG12 ILE B 34 12.277 -12.648 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.800 -13.544 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE B 34 8.625 -12.353 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE B 34 8.555 -10.584 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE B 34 9.263 -11.306 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE B 34 12.201 -13.476 -2.604 1.00 0.00 H new ATOM 0 HD12 ILE B 34 10.673 -12.606 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE B 34 12.173 -11.697 -2.579 1.00 0.00 H new ATOM 1974 N GLU B 35 9.765 -8.247 -1.044 1.00 0.00 N ATOM 1975 CA GLU B 35 8.961 -7.078 -0.697 1.00 0.00 C ATOM 1976 C GLU B 35 7.932 -7.376 0.396 1.00 0.00 C ATOM 1977 O GLU B 35 7.884 -6.687 1.415 1.00 0.00 O ATOM 1978 CB GLU B 35 8.245 -6.555 -1.943 1.00 0.00 C ATOM 1979 CG GLU B 35 9.179 -6.247 -3.104 1.00 0.00 C ATOM 1980 CD GLU B 35 10.223 -5.205 -2.756 1.00 0.00 C ATOM 1981 OE1 GLU B 35 11.023 -5.451 -1.829 1.00 0.00 O ATOM 1982 OE2 GLU B 35 10.241 -4.142 -3.412 1.00 0.00 O ATOM 0 H GLU B 35 9.761 -8.479 -2.037 1.00 0.00 H new ATOM 0 HA GLU B 35 9.643 -6.323 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU B 35 7.511 -7.293 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.695 -5.651 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU B 35 9.678 -7.164 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU B 35 8.592 -5.898 -3.954 1.00 0.00 H new ATOM 1989 N LYS B 36 7.092 -8.378 0.166 1.00 0.00 N ATOM 1990 CA LYS B 36 6.041 -8.734 1.121 1.00 0.00 C ATOM 1991 C LYS B 36 6.600 -9.355 2.402 1.00 0.00 C ATOM 1992 O LYS B 36 6.218 -8.958 3.503 1.00 0.00 O ATOM 1993 CB LYS B 36 5.040 -9.686 0.459 1.00 0.00 C ATOM 1994 CG LYS B 36 3.793 -9.971 1.290 1.00 0.00 C ATOM 1995 CD LYS B 36 4.044 -10.980 2.405 1.00 0.00 C ATOM 1996 CE LYS B 36 4.640 -12.276 1.874 1.00 0.00 C ATOM 1997 NZ LYS B 36 3.779 -12.898 0.830 1.00 0.00 N ATOM 0 H LYS B 36 7.115 -8.960 -0.671 1.00 0.00 H new ATOM 0 HA LYS B 36 5.536 -7.813 1.411 1.00 0.00 H new ATOM 0 HB2 LYS B 36 4.734 -9.263 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS B 36 5.542 -10.630 0.245 1.00 0.00 H new ATOM 0 HG2 LYS B 36 3.431 -9.039 1.724 1.00 0.00 H new ATOM 0 HG3 LYS B 36 3.005 -10.346 0.637 1.00 0.00 H new ATOM 0 HD2 LYS B 36 4.719 -10.546 3.143 1.00 0.00 H new ATOM 0 HD3 LYS B 36 3.107 -11.195 2.918 1.00 0.00 H new ATOM 0 HE2 LYS B 36 5.628 -12.077 1.458 1.00 0.00 H new ATOM 0 HE3 LYS B 36 4.776 -12.977 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 4.148 -13.841 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 2.807 -12.987 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 3.780 -12.301 -0.022 1.00 0.00 H new ATOM 2011 N ASP B 37 7.485 -10.337 2.263 1.00 0.00 N ATOM 2012 CA ASP B 37 8.061 -11.010 3.428 1.00 0.00 C ATOM 2013 C ASP B 37 8.759 -10.023 4.360 1.00 0.00 C ATOM 2014 O ASP B 37 8.554 -10.051 5.576 1.00 0.00 O ATOM 2015 CB ASP B 37 9.044 -12.094 2.985 1.00 0.00 C ATOM 2016 CG ASP B 37 8.401 -13.122 2.075 1.00 0.00 C ATOM 2017 OD1 ASP B 37 7.882 -12.730 1.009 1.00 0.00 O ATOM 2018 OD2 ASP B 37 8.416 -14.320 2.429 1.00 0.00 O ATOM 0 H ASP B 37 7.819 -10.684 1.364 1.00 0.00 H new ATOM 0 HA ASP B 37 7.241 -11.471 3.979 1.00 0.00 H new ATOM 0 HB2 ASP B 37 9.883 -11.630 2.468 1.00 0.00 H new ATOM 0 HB3 ASP B 37 9.449 -12.594 3.865 1.00 0.00 H new ATOM 2023 N ILE B 38 9.584 -9.153 3.787 1.00 0.00 N ATOM 2024 CA ILE B 38 10.312 -8.160 4.571 1.00 0.00 C ATOM 2025 C ILE B 38 9.364 -7.309 5.410 1.00 0.00 C ATOM 2026 O ILE B 38 9.605 -7.078 6.594 1.00 0.00 O ATOM 2027 CB ILE B 38 11.159 -7.247 3.658 1.00 0.00 C ATOM 2028 CG1 ILE B 38 12.260 -8.063 2.978 1.00 0.00 C ATOM 2029 CG2 ILE B 38 11.760 -6.092 4.447 1.00 0.00 C ATOM 2030 CD1 ILE B 38 13.023 -7.290 1.929 1.00 0.00 C ATOM 0 H ILE B 38 9.766 -9.115 2.784 1.00 0.00 H new ATOM 0 HA ILE B 38 10.976 -8.704 5.243 1.00 0.00 H new ATOM 0 HB ILE B 38 10.507 -6.826 2.892 1.00 0.00 H new ATOM 0 HG12 ILE B 38 12.958 -8.418 3.736 1.00 0.00 H new ATOM 0 HG13 ILE B 38 11.815 -8.945 2.516 1.00 0.00 H new ATOM 0 HG21 ILE B 38 12.352 -5.465 3.780 1.00 0.00 H new ATOM 0 HG22 ILE B 38 10.960 -5.498 4.889 1.00 0.00 H new ATOM 0 HG23 ILE B 38 12.399 -6.485 5.237 1.00 0.00 H new ATOM 0 HD11 ILE B 38 13.787 -7.931 1.489 1.00 0.00 H new ATOM 0 HD12 ILE B 38 12.336 -6.958 1.151 1.00 0.00 H new ATOM 0 HD13 ILE B 38 13.497 -6.423 2.389 1.00 0.00 H new ATOM 2042 N ALA B 39 8.288 -6.848 4.788 1.00 0.00 N ATOM 2043 CA ALA B 39 7.305 -6.023 5.477 1.00 0.00 C ATOM 2044 C ALA B 39 6.697 -6.764 6.663 1.00 0.00 C ATOM 2045 O ALA B 39 6.377 -6.163 7.690 1.00 0.00 O ATOM 2046 CB ALA B 39 6.214 -5.589 4.511 1.00 0.00 C ATOM 0 H ALA B 39 8.073 -7.031 3.808 1.00 0.00 H new ATOM 0 HA ALA B 39 7.814 -5.138 5.859 1.00 0.00 H new ATOM 0 HB1 ALA B 39 5.485 -4.973 5.038 1.00 0.00 H new ATOM 0 HB2 ALA B 39 6.656 -5.013 3.698 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.717 -6.470 4.103 1.00 0.00 H new ATOM 2052 N ALA B 40 6.529 -8.073 6.509 1.00 0.00 N ATOM 2053 CA ALA B 40 5.943 -8.899 7.559 1.00 0.00 C ATOM 2054 C ALA B 40 6.829 -8.962 8.802 1.00 0.00 C ATOM 2055 O ALA B 40 6.352 -8.794 9.924 1.00 0.00 O ATOM 2056 CB ALA B 40 5.681 -10.302 7.032 1.00 0.00 C ATOM 0 H ALA B 40 6.790 -8.585 5.667 1.00 0.00 H new ATOM 0 HA ALA B 40 5.001 -8.437 7.853 1.00 0.00 H new ATOM 0 HB1 ALA B 40 5.244 -10.912 7.822 1.00 0.00 H new ATOM 0 HB2 ALA B 40 4.992 -10.251 6.189 1.00 0.00 H new ATOM 0 HB3 ALA B 40 6.620 -10.750 6.706 1.00 0.00 H new ATOM 2062 N HIS B 41 8.116 -9.227 8.596 1.00 0.00 N ATOM 2063 CA HIS B 41 9.064 -9.341 9.707 1.00 0.00 C ATOM 2064 C HIS B 41 9.170 -8.034 10.486 1.00 0.00 C ATOM 2065 O HIS B 41 9.052 -8.017 11.711 1.00 0.00 O ATOM 2066 CB HIS B 41 10.445 -9.738 9.188 1.00 0.00 C ATOM 2067 CG HIS B 41 10.388 -10.775 8.116 1.00 0.00 C ATOM 2068 ND1 HIS B 41 9.706 -11.964 8.251 1.00 0.00 N ATOM 2069 CD2 HIS B 41 10.908 -10.779 6.870 1.00 0.00 C ATOM 2070 CE1 HIS B 41 9.804 -12.653 7.130 1.00 0.00 C ATOM 2071 NE2 HIS B 41 10.526 -11.954 6.274 1.00 0.00 N ATOM 0 H HIS B 41 8.528 -9.367 7.674 1.00 0.00 H new ATOM 0 HA HIS B 41 8.691 -10.113 10.379 1.00 0.00 H new ATOM 0 HB2 HIS B 41 10.951 -8.853 8.803 1.00 0.00 H new ATOM 0 HB3 HIS B 41 11.045 -10.113 10.017 1.00 0.00 H new ATOM 0 HD2 HIS B 41 11.512 -10.002 6.425 1.00 0.00 H new ATOM 0 HE1 HIS B 41 9.368 -13.623 6.944 1.00 0.00 H new ATOM 0 HE2 HIS B 41 10.762 -12.241 5.324 1.00 0.00 H new ATOM 2080 N ILE B 42 9.407 -6.944 9.767 1.00 0.00 N ATOM 2081 CA ILE B 42 9.547 -5.631 10.387 1.00 0.00 C ATOM 2082 C ILE B 42 8.319 -5.271 11.222 1.00 0.00 C ATOM 2083 O ILE B 42 8.442 -4.781 12.347 1.00 0.00 O ATOM 2084 CB ILE B 42 9.771 -4.538 9.321 1.00 0.00 C ATOM 2085 CG1 ILE B 42 11.009 -4.857 8.481 1.00 0.00 C ATOM 2086 CG2 ILE B 42 9.913 -3.171 9.976 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.284 -3.834 7.403 1.00 0.00 C ATOM 0 H ILE B 42 9.507 -6.943 8.752 1.00 0.00 H new ATOM 0 HA ILE B 42 10.416 -5.681 11.043 1.00 0.00 H new ATOM 0 HB ILE B 42 8.901 -4.516 8.664 1.00 0.00 H new ATOM 0 HG12 ILE B 42 11.877 -4.924 9.137 1.00 0.00 H new ATOM 0 HG13 ILE B 42 10.883 -5.836 8.019 1.00 0.00 H new ATOM 0 HG21 ILE B 42 10.070 -2.414 9.208 1.00 0.00 H new ATOM 0 HG22 ILE B 42 9.006 -2.939 10.534 1.00 0.00 H new ATOM 0 HG23 ILE B 42 10.765 -3.180 10.656 1.00 0.00 H new ATOM 0 HD11 ILE B 42 12.175 -4.123 6.846 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.433 -3.783 6.724 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.442 -2.857 7.860 1.00 0.00 H new ATOM 2099 N LYS B 43 7.139 -5.504 10.663 1.00 0.00 N ATOM 2100 CA LYS B 43 5.890 -5.191 11.349 1.00 0.00 C ATOM 2101 C LYS B 43 5.776 -5.918 12.688 1.00 0.00 C ATOM 2102 O LYS B 43 5.515 -5.294 13.717 1.00 0.00 O ATOM 2103 CB LYS B 43 4.699 -5.544 10.456 1.00 0.00 C ATOM 2104 CG LYS B 43 3.348 -5.321 11.117 1.00 0.00 C ATOM 2105 CD LYS B 43 2.210 -5.538 10.136 1.00 0.00 C ATOM 2106 CE LYS B 43 0.854 -5.397 10.808 1.00 0.00 C ATOM 2107 NZ LYS B 43 -0.264 -5.524 9.833 1.00 0.00 N ATOM 0 H LYS B 43 7.019 -5.909 9.735 1.00 0.00 H new ATOM 0 HA LYS B 43 5.887 -4.121 11.555 1.00 0.00 H new ATOM 0 HB2 LYS B 43 4.750 -4.947 9.545 1.00 0.00 H new ATOM 0 HB3 LYS B 43 4.778 -6.589 10.157 1.00 0.00 H new ATOM 0 HG2 LYS B 43 3.237 -6.001 11.961 1.00 0.00 H new ATOM 0 HG3 LYS B 43 3.299 -4.308 11.516 1.00 0.00 H new ATOM 0 HD2 LYS B 43 2.289 -4.818 9.322 1.00 0.00 H new ATOM 0 HD3 LYS B 43 2.295 -6.530 9.693 1.00 0.00 H new ATOM 0 HE2 LYS B 43 0.751 -6.159 11.580 1.00 0.00 H new ATOM 0 HE3 LYS B 43 0.794 -4.429 11.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -1.014 -6.117 10.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -0.646 -4.581 9.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 0.087 -5.962 8.958 1.00 0.00 H new ATOM 2121 N LYS B 44 5.954 -7.236 12.675 1.00 0.00 N ATOM 2122 CA LYS B 44 5.849 -8.028 13.899 1.00 0.00 C ATOM 2123 C LYS B 44 6.798 -7.523 14.983 1.00 0.00 C ATOM 2124 O LYS B 44 6.413 -7.409 16.148 1.00 0.00 O ATOM 2125 CB LYS B 44 6.122 -9.506 13.615 1.00 0.00 C ATOM 2126 CG LYS B 44 5.096 -10.149 12.694 1.00 0.00 C ATOM 2127 CD LYS B 44 5.271 -11.659 12.630 1.00 0.00 C ATOM 2128 CE LYS B 44 6.642 -12.043 12.099 1.00 0.00 C ATOM 2129 NZ LYS B 44 6.857 -11.553 10.713 1.00 0.00 N ATOM 0 H LYS B 44 6.170 -7.776 11.837 1.00 0.00 H new ATOM 0 HA LYS B 44 4.828 -7.918 14.265 1.00 0.00 H new ATOM 0 HB2 LYS B 44 7.111 -9.605 13.168 1.00 0.00 H new ATOM 0 HB3 LYS B 44 6.143 -10.051 14.559 1.00 0.00 H new ATOM 0 HG2 LYS B 44 4.092 -9.913 13.046 1.00 0.00 H new ATOM 0 HG3 LYS B 44 5.190 -9.728 11.693 1.00 0.00 H new ATOM 0 HD2 LYS B 44 5.134 -12.084 13.624 1.00 0.00 H new ATOM 0 HD3 LYS B 44 4.500 -12.088 11.991 1.00 0.00 H new ATOM 0 HE2 LYS B 44 7.412 -11.633 12.752 1.00 0.00 H new ATOM 0 HE3 LYS B 44 6.749 -13.127 12.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 7.743 -11.948 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 6.063 -11.853 10.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 6.915 -10.515 10.717 1.00 0.00 H new ATOM 2143 N GLU B 45 8.035 -7.226 14.605 1.00 0.00 N ATOM 2144 CA GLU B 45 9.025 -6.739 15.562 1.00 0.00 C ATOM 2145 C GLU B 45 8.536 -5.477 16.266 1.00 0.00 C ATOM 2146 O GLU B 45 8.613 -5.372 17.491 1.00 0.00 O ATOM 2147 CB GLU B 45 10.356 -6.462 14.858 1.00 0.00 C ATOM 2148 CG GLU B 45 10.986 -7.696 14.231 1.00 0.00 C ATOM 2149 CD GLU B 45 11.354 -8.753 15.254 1.00 0.00 C ATOM 2150 OE1 GLU B 45 10.442 -9.261 15.939 1.00 0.00 O ATOM 2151 OE2 GLU B 45 12.555 -9.073 15.371 1.00 0.00 O ATOM 0 H GLU B 45 8.377 -7.313 13.648 1.00 0.00 H new ATOM 0 HA GLU B 45 9.173 -7.515 16.313 1.00 0.00 H new ATOM 0 HB2 GLU B 45 10.197 -5.712 14.083 1.00 0.00 H new ATOM 0 HB3 GLU B 45 11.055 -6.034 15.577 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.293 -8.124 13.507 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.880 -7.402 13.681 1.00 0.00 H new ATOM 2158 N PHE B 46 8.033 -4.520 15.491 1.00 0.00 N ATOM 2159 CA PHE B 46 7.535 -3.270 16.055 1.00 0.00 C ATOM 2160 C PHE B 46 6.312 -3.500 16.936 1.00 0.00 C ATOM 2161 O PHE B 46 6.204 -2.931 18.021 1.00 0.00 O ATOM 2162 CB PHE B 46 7.209 -2.270 14.946 1.00 0.00 C ATOM 2163 CG PHE B 46 8.430 -1.633 14.345 1.00 0.00 C ATOM 2164 CD1 PHE B 46 9.320 -0.936 15.144 1.00 0.00 C ATOM 2165 CD2 PHE B 46 8.687 -1.726 12.986 1.00 0.00 C ATOM 2166 CE1 PHE B 46 10.443 -0.343 14.603 1.00 0.00 C ATOM 2167 CE2 PHE B 46 9.811 -1.134 12.438 1.00 0.00 C ATOM 2168 CZ PHE B 46 10.690 -0.442 13.247 1.00 0.00 C ATOM 0 H PHE B 46 7.960 -4.586 14.476 1.00 0.00 H new ATOM 0 HA PHE B 46 8.325 -2.856 16.681 1.00 0.00 H new ATOM 0 HB2 PHE B 46 6.649 -2.778 14.161 1.00 0.00 H new ATOM 0 HB3 PHE B 46 6.561 -1.491 15.347 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.133 -0.855 16.205 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.003 -2.266 12.348 1.00 0.00 H new ATOM 0 HE1 PHE B 46 11.128 0.198 15.239 1.00 0.00 H new ATOM 0 HE2 PHE B 46 10.001 -1.213 11.378 1.00 0.00 H new ATOM 0 HZ PHE B 46 11.568 0.021 12.821 1.00 0.00 H new ATOM 2178 N ASP B 47 5.394 -4.336 16.466 1.00 0.00 N ATOM 2179 CA ASP B 47 4.181 -4.637 17.221 1.00 0.00 C ATOM 2180 C ASP B 47 4.527 -5.164 18.611 1.00 0.00 C ATOM 2181 O ASP B 47 3.842 -4.876 19.589 1.00 0.00 O ATOM 2182 CB ASP B 47 3.329 -5.672 16.481 1.00 0.00 C ATOM 2183 CG ASP B 47 2.928 -5.212 15.095 1.00 0.00 C ATOM 2184 OD1 ASP B 47 2.330 -4.123 14.977 1.00 0.00 O ATOM 2185 OD2 ASP B 47 3.205 -5.949 14.125 1.00 0.00 O ATOM 0 H ASP B 47 5.465 -4.817 15.569 1.00 0.00 H new ATOM 0 HA ASP B 47 3.613 -3.712 17.323 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.885 -6.606 16.403 1.00 0.00 H new ATOM 0 HB3 ASP B 47 2.432 -5.883 17.064 1.00 0.00 H new ATOM 2190 N LYS B 48 5.591 -5.946 18.683 1.00 0.00 N ATOM 2191 CA LYS B 48 6.035 -6.530 19.943 1.00 0.00 C ATOM 2192 C LYS B 48 6.663 -5.472 20.851 1.00 0.00 C ATOM 2193 O LYS B 48 6.468 -5.482 22.066 1.00 0.00 O ATOM 2194 CB LYS B 48 7.050 -7.640 19.661 1.00 0.00 C ATOM 2195 CG LYS B 48 7.022 -8.769 20.675 1.00 0.00 C ATOM 2196 CD LYS B 48 7.167 -8.252 22.096 1.00 0.00 C ATOM 2197 CE LYS B 48 7.061 -9.379 23.109 1.00 0.00 C ATOM 2198 NZ LYS B 48 8.149 -10.384 22.947 1.00 0.00 N ATOM 0 H LYS B 48 6.168 -6.194 17.880 1.00 0.00 H new ATOM 0 HA LYS B 48 5.167 -6.944 20.456 1.00 0.00 H new ATOM 0 HB2 LYS B 48 6.859 -8.050 18.669 1.00 0.00 H new ATOM 0 HB3 LYS B 48 8.050 -7.208 19.640 1.00 0.00 H new ATOM 0 HG2 LYS B 48 6.085 -9.319 20.582 1.00 0.00 H new ATOM 0 HG3 LYS B 48 7.827 -9.472 20.460 1.00 0.00 H new ATOM 0 HD2 LYS B 48 8.129 -7.751 22.206 1.00 0.00 H new ATOM 0 HD3 LYS B 48 6.395 -7.508 22.295 1.00 0.00 H new ATOM 0 HE2 LYS B 48 7.098 -8.965 24.116 1.00 0.00 H new ATOM 0 HE3 LYS B 48 6.095 -9.872 23.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 8.130 -11.049 23.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 8.009 -10.907 22.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.069 -9.899 22.922 1.00 0.00 H new ATOM 2212 N LYS B 49 7.438 -4.576 20.254 1.00 0.00 N ATOM 2213 CA LYS B 49 8.126 -3.528 21.005 1.00 0.00 C ATOM 2214 C LYS B 49 7.233 -2.331 21.313 1.00 0.00 C ATOM 2215 O LYS B 49 7.007 -1.994 22.475 1.00 0.00 O ATOM 2216 CB LYS B 49 9.355 -3.054 20.226 1.00 0.00 C ATOM 2217 CG LYS B 49 10.361 -4.157 19.944 1.00 0.00 C ATOM 2218 CD LYS B 49 11.552 -3.634 19.157 1.00 0.00 C ATOM 2219 CE LYS B 49 12.550 -4.741 18.855 1.00 0.00 C ATOM 2220 NZ LYS B 49 11.941 -5.832 18.047 1.00 0.00 N ATOM 0 H LYS B 49 7.608 -4.552 19.249 1.00 0.00 H new ATOM 0 HA LYS B 49 8.420 -3.967 21.959 1.00 0.00 H new ATOM 0 HB2 LYS B 49 9.030 -2.620 19.280 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.847 -2.260 20.788 1.00 0.00 H new ATOM 0 HG2 LYS B 49 10.705 -4.587 20.885 1.00 0.00 H new ATOM 0 HG3 LYS B 49 9.877 -4.958 19.385 1.00 0.00 H new ATOM 0 HD2 LYS B 49 11.206 -3.190 18.224 1.00 0.00 H new ATOM 0 HD3 LYS B 49 12.044 -2.843 19.723 1.00 0.00 H new ATOM 0 HE2 LYS B 49 13.403 -4.325 18.319 1.00 0.00 H new ATOM 0 HE3 LYS B 49 12.931 -5.151 19.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 12.582 -6.087 17.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 11.781 -6.663 18.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 11.033 -5.509 17.655 1.00 0.00 H new ATOM 2234 N TYR B 50 6.777 -1.663 20.267 1.00 0.00 N ATOM 2235 CA TYR B 50 5.959 -0.463 20.419 1.00 0.00 C ATOM 2236 C TYR B 50 4.462 -0.750 20.480 1.00 0.00 C ATOM 2237 O TYR B 50 3.693 0.107 20.911 1.00 0.00 O ATOM 2238 CB TYR B 50 6.289 0.513 19.297 1.00 0.00 C ATOM 2239 CG TYR B 50 7.776 0.755 19.183 1.00 0.00 C ATOM 2240 CD1 TYR B 50 8.533 1.030 20.315 1.00 0.00 C ATOM 2241 CD2 TYR B 50 8.426 0.690 17.958 1.00 0.00 C ATOM 2242 CE1 TYR B 50 9.894 1.235 20.230 1.00 0.00 C ATOM 2243 CE2 TYR B 50 9.790 0.897 17.865 1.00 0.00 C ATOM 2244 CZ TYR B 50 10.519 1.168 19.003 1.00 0.00 C ATOM 2245 OH TYR B 50 11.877 1.371 18.914 1.00 0.00 O ATOM 0 H TYR B 50 6.958 -1.929 19.299 1.00 0.00 H new ATOM 0 HA TYR B 50 6.205 -0.018 21.383 1.00 0.00 H new ATOM 0 HB2 TYR B 50 5.911 0.122 18.352 1.00 0.00 H new ATOM 0 HB3 TYR B 50 5.779 1.460 19.477 1.00 0.00 H new ATOM 0 HD1 TYR B 50 8.047 1.084 21.278 1.00 0.00 H new ATOM 0 HD2 TYR B 50 7.858 0.475 17.065 1.00 0.00 H new ATOM 0 HE1 TYR B 50 10.467 1.447 21.120 1.00 0.00 H new ATOM 0 HE2 TYR B 50 10.282 0.847 16.905 1.00 0.00 H new ATOM 0 HH TYR B 50 12.160 1.288 17.979 1.00 0.00 H new ATOM 2255 N ASN B 51 4.052 -1.944 20.045 1.00 0.00 N ATOM 2256 CA ASN B 51 2.638 -2.337 20.049 1.00 0.00 C ATOM 2257 C ASN B 51 1.986 -1.984 18.719 1.00 0.00 C ATOM 2258 O ASN B 51 2.296 -0.955 18.119 1.00 0.00 O ATOM 2259 CB ASN B 51 1.862 -1.680 21.199 1.00 0.00 C ATOM 2260 CG ASN B 51 2.532 -1.890 22.543 1.00 0.00 C ATOM 2261 OD1 ASN B 51 2.726 -3.023 22.983 1.00 0.00 O ATOM 2262 ND2 ASN B 51 2.888 -0.795 23.204 1.00 0.00 N ATOM 0 H ASN B 51 4.682 -2.660 19.683 1.00 0.00 H new ATOM 0 HA ASN B 51 2.603 -3.416 20.197 1.00 0.00 H new ATOM 0 HB2 ASN B 51 1.768 -0.611 21.006 1.00 0.00 H new ATOM 0 HB3 ASN B 51 0.852 -2.088 21.232 1.00 0.00 H new ATOM 0 HD21 ASN B 51 3.342 -0.874 24.114 1.00 0.00 H new ATOM 0 HD22 ASN B 51 2.708 0.125 22.802 1.00 0.00 H new ATOM 2269 N PRO B 52 1.083 -2.847 18.232 1.00 0.00 N ATOM 2270 CA PRO B 52 0.401 -2.627 16.957 1.00 0.00 C ATOM 2271 C PRO B 52 -0.269 -1.254 16.871 1.00 0.00 C ATOM 2272 O PRO B 52 -0.340 -0.533 17.867 1.00 0.00 O ATOM 2273 CB PRO B 52 -0.650 -3.740 16.913 1.00 0.00 C ATOM 2274 CG PRO B 52 -0.118 -4.809 17.801 1.00 0.00 C ATOM 2275 CD PRO B 52 0.664 -4.107 18.876 1.00 0.00 C ATOM 0 HA PRO B 52 1.100 -2.648 16.121 1.00 0.00 H new ATOM 0 HB2 PRO B 52 -1.618 -3.382 17.263 1.00 0.00 H new ATOM 0 HB3 PRO B 52 -0.794 -4.107 15.897 1.00 0.00 H new ATOM 0 HG2 PRO B 52 -0.928 -5.398 18.230 1.00 0.00 H new ATOM 0 HG3 PRO B 52 0.517 -5.498 17.244 1.00 0.00 H new ATOM 0 HD2 PRO B 52 0.054 -3.922 19.760 1.00 0.00 H new ATOM 0 HD3 PRO B 52 1.522 -4.697 19.198 1.00 0.00 H new ATOM 2283 N THR B 53 -0.756 -0.882 15.677 1.00 0.00 N ATOM 2284 CA THR B 53 -0.676 -1.730 14.492 1.00 0.00 C ATOM 2285 C THR B 53 0.126 -1.058 13.382 1.00 0.00 C ATOM 2286 O THR B 53 -0.313 -0.070 12.794 1.00 0.00 O ATOM 2287 CB THR B 53 -2.084 -2.050 14.003 1.00 0.00 C ATOM 2288 OG1 THR B 53 -2.051 -2.957 12.916 1.00 0.00 O ATOM 2289 CG2 THR B 53 -2.858 -0.826 13.559 1.00 0.00 C ATOM 0 H THR B 53 -1.214 0.014 15.513 1.00 0.00 H new ATOM 0 HA THR B 53 -0.161 -2.653 14.761 1.00 0.00 H new ATOM 0 HB THR B 53 -2.591 -2.489 14.863 1.00 0.00 H new ATOM 0 HG1 THR B 53 -2.604 -2.611 12.185 1.00 0.00 H new ATOM 0 HG21 THR B 53 -3.851 -1.125 13.223 1.00 0.00 H new ATOM 0 HG22 THR B 53 -2.951 -0.132 14.394 1.00 0.00 H new ATOM 0 HG23 THR B 53 -2.330 -0.339 12.740 1.00 0.00 H new ATOM 2297 N TRP B 54 1.305 -1.605 13.108 1.00 0.00 N ATOM 2298 CA TRP B 54 2.185 -1.066 12.078 1.00 0.00 C ATOM 2299 C TRP B 54 1.874 -1.632 10.702 1.00 0.00 C ATOM 2300 O TRP B 54 2.014 -2.829 10.459 1.00 0.00 O ATOM 2301 CB TRP B 54 3.639 -1.358 12.433 1.00 0.00 C ATOM 2302 CG TRP B 54 4.029 -0.807 13.763 1.00 0.00 C ATOM 2303 CD1 TRP B 54 3.520 -1.168 14.976 1.00 0.00 C ATOM 2304 CD2 TRP B 54 4.993 0.218 14.013 1.00 0.00 C ATOM 2305 NE1 TRP B 54 4.114 -0.436 15.970 1.00 0.00 N ATOM 2306 CE2 TRP B 54 5.025 0.425 15.406 1.00 0.00 C ATOM 2307 CE3 TRP B 54 5.832 0.977 13.196 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 5.868 1.364 15.996 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 6.666 1.909 13.784 1.00 0.00 C ATOM 2310 CH2 TRP B 54 6.678 2.093 15.173 1.00 0.00 C ATOM 0 H TRP B 54 1.675 -2.426 13.588 1.00 0.00 H new ATOM 0 HA TRP B 54 2.017 0.010 12.039 1.00 0.00 H new ATOM 0 HB2 TRP B 54 3.800 -2.436 12.430 1.00 0.00 H new ATOM 0 HB3 TRP B 54 4.288 -0.936 11.665 1.00 0.00 H new ATOM 0 HD1 TRP B 54 2.760 -1.920 15.130 1.00 0.00 H new ATOM 0 HE1 TRP B 54 3.913 -0.517 16.967 1.00 0.00 H new ATOM 0 HE3 TRP B 54 5.830 0.839 12.125 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 5.881 1.510 17.066 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 7.319 2.505 13.163 1.00 0.00 H new ATOM 0 HH2 TRP B 54 7.343 2.828 15.602 1.00 0.00 H new ATOM 2321 N HIS B 55 1.488 -0.750 9.792 1.00 0.00 N ATOM 2322 CA HIS B 55 1.198 -1.141 8.423 1.00 0.00 C ATOM 2323 C HIS B 55 2.470 -1.012 7.602 1.00 0.00 C ATOM 2324 O HIS B 55 3.184 -0.014 7.722 1.00 0.00 O ATOM 2325 CB HIS B 55 0.093 -0.260 7.845 1.00 0.00 C ATOM 2326 CG HIS B 55 -1.073 -0.086 8.769 1.00 0.00 C ATOM 2327 ND1 HIS B 55 -1.767 -1.145 9.316 1.00 0.00 N ATOM 2328 CD2 HIS B 55 -1.671 1.033 9.237 1.00 0.00 C ATOM 2329 CE1 HIS B 55 -2.744 -0.685 10.074 1.00 0.00 C ATOM 2330 NE2 HIS B 55 -2.708 0.634 10.045 1.00 0.00 N ATOM 0 H HIS B 55 1.368 0.245 9.980 1.00 0.00 H new ATOM 0 HA HIS B 55 0.851 -2.174 8.397 1.00 0.00 H new ATOM 0 HB2 HIS B 55 0.507 0.720 7.606 1.00 0.00 H new ATOM 0 HB3 HIS B 55 -0.256 -0.695 6.909 1.00 0.00 H new ATOM 0 HD1 HIS B 55 -1.557 -2.131 9.159 1.00 0.00 H new ATOM 0 HD2 HIS B 55 -1.386 2.051 9.017 1.00 0.00 H new ATOM 0 HE1 HIS B 55 -3.453 -1.286 10.625 1.00 0.00 H new ATOM 2339 N CYS B 56 2.780 -2.016 6.787 1.00 0.00 N ATOM 2340 CA CYS B 56 4.004 -1.967 5.995 1.00 0.00 C ATOM 2341 C CYS B 56 3.760 -2.303 4.530 1.00 0.00 C ATOM 2342 O CYS B 56 2.860 -3.073 4.191 1.00 0.00 O ATOM 2343 CB CYS B 56 5.054 -2.910 6.578 1.00 0.00 C ATOM 2344 SG CYS B 56 6.683 -2.757 5.809 1.00 0.00 S ATOM 0 H CYS B 56 2.215 -2.855 6.659 1.00 0.00 H new ATOM 0 HA CYS B 56 4.371 -0.941 6.039 1.00 0.00 H new ATOM 0 HB2 CYS B 56 5.148 -2.717 7.647 1.00 0.00 H new ATOM 0 HB3 CYS B 56 4.706 -3.937 6.469 1.00 0.00 H new ATOM 0 HG CYS B 56 6.866 -1.530 5.420 1.00 0.00 H new ATOM 2350 N ILE B 57 4.583 -1.712 3.671 1.00 0.00 N ATOM 2351 CA ILE B 57 4.493 -1.922 2.235 1.00 0.00 C ATOM 2352 C ILE B 57 5.879 -1.822 1.602 1.00 0.00 C ATOM 2353 O ILE B 57 6.742 -1.101 2.098 1.00 0.00 O ATOM 2354 CB ILE B 57 3.560 -0.892 1.573 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.179 -0.919 2.233 1.00 0.00 C ATOM 2356 CG2 ILE B 57 3.444 -1.170 0.082 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.204 0.071 1.636 1.00 0.00 C ATOM 0 H ILE B 57 5.329 -1.076 3.952 1.00 0.00 H new ATOM 0 HA ILE B 57 4.081 -2.918 2.073 1.00 0.00 H new ATOM 0 HB ILE B 57 3.986 0.102 1.709 1.00 0.00 H new ATOM 0 HG12 ILE B 57 1.764 -1.923 2.146 1.00 0.00 H new ATOM 0 HG13 ILE B 57 2.290 -0.711 3.297 1.00 0.00 H new ATOM 0 HG21 ILE B 57 2.781 -0.435 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE B 57 4.430 -1.105 -0.378 1.00 0.00 H new ATOM 0 HG23 ILE B 57 3.037 -2.170 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE B 57 0.247 -0.004 2.153 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.598 1.081 1.747 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.063 -0.150 0.578 1.00 0.00 H new ATOM 2369 N VAL B 58 6.089 -2.552 0.511 1.00 0.00 N ATOM 2370 CA VAL B 58 7.374 -2.546 -0.175 1.00 0.00 C ATOM 2371 C VAL B 58 7.216 -2.952 -1.636 1.00 0.00 C ATOM 2372 O VAL B 58 6.464 -3.870 -1.958 1.00 0.00 O ATOM 2373 CB VAL B 58 8.383 -3.498 0.505 1.00 0.00 C ATOM 2374 CG1 VAL B 58 9.746 -3.415 -0.168 1.00 0.00 C ATOM 2375 CG2 VAL B 58 8.498 -3.187 1.989 1.00 0.00 C ATOM 0 H VAL B 58 5.385 -3.155 0.084 1.00 0.00 H new ATOM 0 HA VAL B 58 7.756 -1.527 -0.121 1.00 0.00 H new ATOM 0 HB VAL B 58 8.013 -4.517 0.396 1.00 0.00 H new ATOM 0 HG11 VAL B 58 10.439 -4.094 0.329 1.00 0.00 H new ATOM 0 HG12 VAL B 58 9.652 -3.696 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL B 58 10.125 -2.395 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL B 58 9.213 -3.869 2.449 1.00 0.00 H new ATOM 0 HG22 VAL B 58 8.839 -2.160 2.120 1.00 0.00 H new ATOM 0 HG23 VAL B 58 7.524 -3.309 2.463 1.00 0.00 H new ATOM 2385 N GLY B 59 7.929 -2.259 -2.512 1.00 0.00 N ATOM 2386 CA GLY B 59 7.861 -2.554 -3.930 1.00 0.00 C ATOM 2387 C GLY B 59 8.728 -1.616 -4.746 1.00 0.00 C ATOM 2388 O GLY B 59 9.870 -1.341 -4.377 1.00 0.00 O ATOM 0 H GLY B 59 8.557 -1.494 -2.265 1.00 0.00 H new ATOM 0 HA2 GLY B 59 8.178 -3.583 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY B 59 6.827 -2.478 -4.267 1.00 0.00 H new ATOM 2392 N ARG B 60 8.189 -1.114 -5.851 1.00 0.00 N ATOM 2393 CA ARG B 60 8.937 -0.193 -6.705 1.00 0.00 C ATOM 2394 C ARG B 60 8.090 0.319 -7.868 1.00 0.00 C ATOM 2395 O ARG B 60 8.613 0.587 -8.950 1.00 0.00 O ATOM 2396 CB ARG B 60 10.195 -0.878 -7.244 1.00 0.00 C ATOM 2397 CG ARG B 60 9.903 -2.108 -8.087 1.00 0.00 C ATOM 2398 CD ARG B 60 11.184 -2.744 -8.605 1.00 0.00 C ATOM 2399 NE ARG B 60 10.918 -3.925 -9.421 1.00 0.00 N ATOM 2400 CZ ARG B 60 11.871 -4.658 -9.993 1.00 0.00 C ATOM 2401 NH1 ARG B 60 13.149 -4.335 -9.840 1.00 0.00 N ATOM 2402 NH2 ARG B 60 11.545 -5.719 -10.720 1.00 0.00 N ATOM 0 H ARG B 60 7.246 -1.325 -6.176 1.00 0.00 H new ATOM 0 HA ARG B 60 9.219 0.664 -6.094 1.00 0.00 H new ATOM 0 HB2 ARG B 60 10.760 -0.163 -7.842 1.00 0.00 H new ATOM 0 HB3 ARG B 60 10.830 -1.164 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG B 60 9.349 -2.835 -7.493 1.00 0.00 H new ATOM 0 HG3 ARG B 60 9.267 -1.832 -8.928 1.00 0.00 H new ATOM 0 HD2 ARG B 60 11.739 -2.014 -9.194 1.00 0.00 H new ATOM 0 HD3 ARG B 60 11.818 -3.021 -7.762 1.00 0.00 H new ATOM 0 HE ARG B 60 9.947 -4.204 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG B 60 13.406 -3.521 -9.282 1.00 0.00 H new ATOM 0 HH12 ARG B 60 13.874 -4.901 -10.281 1.00 0.00 H new ATOM 0 HH21 ARG B 60 10.564 -5.973 -10.841 1.00 0.00 H new ATOM 0 HH22 ARG B 60 12.275 -6.281 -11.158 1.00 0.00 H new ATOM 2416 N ASN B 61 6.785 0.466 -7.633 1.00 0.00 N ATOM 2417 CA ASN B 61 5.857 0.959 -8.648 1.00 0.00 C ATOM 2418 C ASN B 61 4.416 0.723 -8.209 1.00 0.00 C ATOM 2419 O ASN B 61 3.790 -0.260 -8.603 1.00 0.00 O ATOM 2420 CB ASN B 61 6.104 0.281 -9.999 1.00 0.00 C ATOM 2421 CG ASN B 61 5.153 0.772 -11.070 1.00 0.00 C ATOM 2422 OD1 ASN B 61 5.198 1.931 -11.478 1.00 0.00 O ATOM 2423 ND2 ASN B 61 4.275 -0.113 -11.518 1.00 0.00 N ATOM 0 H ASN B 61 6.345 0.248 -6.739 1.00 0.00 H new ATOM 0 HA ASN B 61 6.027 2.029 -8.763 1.00 0.00 H new ATOM 0 HB2 ASN B 61 7.131 0.467 -10.314 1.00 0.00 H new ATOM 0 HB3 ASN B 61 5.996 -0.798 -9.887 1.00 0.00 H new ATOM 0 HD21 ASN B 61 3.598 0.157 -12.232 1.00 0.00 H new ATOM 0 HD22 ASN B 61 4.276 -1.064 -11.149 1.00 0.00 H new ATOM 2430 N PHE B 62 3.898 1.626 -7.383 1.00 0.00 N ATOM 2431 CA PHE B 62 2.531 1.501 -6.886 1.00 0.00 C ATOM 2432 C PHE B 62 2.098 2.739 -6.106 1.00 0.00 C ATOM 2433 O PHE B 62 2.824 3.230 -5.242 1.00 0.00 O ATOM 2434 CB PHE B 62 2.420 0.280 -5.974 1.00 0.00 C ATOM 2435 CG PHE B 62 3.214 0.419 -4.706 1.00 0.00 C ATOM 2436 CD1 PHE B 62 4.596 0.468 -4.743 1.00 0.00 C ATOM 2437 CD2 PHE B 62 2.577 0.521 -3.480 1.00 0.00 C ATOM 2438 CE1 PHE B 62 5.332 0.614 -3.583 1.00 0.00 C ATOM 2439 CE2 PHE B 62 3.306 0.664 -2.316 1.00 0.00 C ATOM 2440 CZ PHE B 62 4.687 0.711 -2.367 1.00 0.00 C ATOM 0 H PHE B 62 4.399 2.447 -7.045 1.00 0.00 H new ATOM 0 HA PHE B 62 1.877 1.391 -7.751 1.00 0.00 H new ATOM 0 HB2 PHE B 62 1.372 0.115 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE B 62 2.761 -0.603 -6.515 1.00 0.00 H new ATOM 0 HD1 PHE B 62 5.107 0.391 -5.692 1.00 0.00 H new ATOM 0 HD2 PHE B 62 1.498 0.488 -3.434 1.00 0.00 H new ATOM 0 HE1 PHE B 62 6.410 0.652 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE B 62 2.798 0.739 -1.366 1.00 0.00 H new ATOM 0 HZ PHE B 62 5.259 0.823 -1.458 1.00 0.00 H new ATOM 2450 N GLY B 63 0.894 3.215 -6.397 1.00 0.00 N ATOM 2451 CA GLY B 63 0.362 4.369 -5.694 1.00 0.00 C ATOM 2452 C GLY B 63 -0.200 3.974 -4.342 1.00 0.00 C ATOM 2453 O GLY B 63 -0.876 2.951 -4.229 1.00 0.00 O ATOM 0 H GLY B 63 0.275 2.823 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY B 63 1.148 5.112 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -0.419 4.836 -6.294 1.00 0.00 H new ATOM 2457 N SER B 64 0.084 4.760 -3.307 1.00 0.00 N ATOM 2458 CA SER B 64 -0.403 4.439 -1.969 1.00 0.00 C ATOM 2459 C SER B 64 -1.188 5.589 -1.349 1.00 0.00 C ATOM 2460 O SER B 64 -0.935 6.759 -1.631 1.00 0.00 O ATOM 2461 CB SER B 64 0.762 4.062 -1.051 1.00 0.00 C ATOM 2462 OG SER B 64 1.596 5.179 -0.801 1.00 0.00 O ATOM 0 H SER B 64 0.641 5.612 -3.367 1.00 0.00 H new ATOM 0 HA SER B 64 -1.079 3.590 -2.074 1.00 0.00 H new ATOM 0 HB2 SER B 64 0.376 3.674 -0.108 1.00 0.00 H new ATOM 0 HB3 SER B 64 1.346 3.263 -1.509 1.00 0.00 H new ATOM 0 HG SER B 64 2.332 4.912 -0.211 1.00 0.00 H new ATOM 2468 N TYR B 65 -2.137 5.230 -0.486 1.00 0.00 N ATOM 2469 CA TYR B 65 -2.971 6.202 0.209 1.00 0.00 C ATOM 2470 C TYR B 65 -3.466 5.590 1.519 1.00 0.00 C ATOM 2471 O TYR B 65 -4.077 4.523 1.517 1.00 0.00 O ATOM 2472 CB TYR B 65 -4.156 6.607 -0.668 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.880 7.845 -0.190 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -4.222 9.066 -0.109 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -6.221 7.796 0.172 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -4.879 10.202 0.321 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -6.883 8.929 0.604 1.00 0.00 C ATOM 2478 CZ TYR B 65 -6.209 10.129 0.677 1.00 0.00 C ATOM 2479 OH TYR B 65 -6.866 11.260 1.104 1.00 0.00 O ATOM 0 H TYR B 65 -2.347 4.260 -0.251 1.00 0.00 H new ATOM 0 HA TYR B 65 -2.385 7.095 0.424 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -3.801 6.776 -1.685 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -4.863 5.779 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.180 9.128 -0.387 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -6.753 6.858 0.115 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -4.353 11.144 0.378 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -7.925 8.875 0.883 1.00 0.00 H new ATOM 0 HH TYR B 65 -7.797 11.038 1.315 1.00 0.00 H new ATOM 2489 N VAL B 66 -3.175 6.253 2.637 1.00 0.00 N ATOM 2490 CA VAL B 66 -3.563 5.742 3.953 1.00 0.00 C ATOM 2491 C VAL B 66 -3.602 6.855 5.000 1.00 0.00 C ATOM 2492 O VAL B 66 -3.038 7.923 4.801 1.00 0.00 O ATOM 2493 CB VAL B 66 -2.562 4.668 4.434 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -2.973 4.098 5.779 1.00 0.00 C ATOM 2495 CG2 VAL B 66 -2.413 3.557 3.405 1.00 0.00 C ATOM 0 H VAL B 66 -2.674 7.141 2.660 1.00 0.00 H new ATOM 0 HA VAL B 66 -4.559 5.313 3.844 1.00 0.00 H new ATOM 0 HB VAL B 66 -1.593 5.153 4.554 1.00 0.00 H new ATOM 0 HG11 VAL B 66 -2.250 3.345 6.091 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -3.006 4.898 6.518 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -3.959 3.641 5.695 1.00 0.00 H new ATOM 0 HG21 VAL B 66 -1.703 2.816 3.770 1.00 0.00 H new ATOM 0 HG22 VAL B 66 -3.380 3.082 3.240 1.00 0.00 H new ATOM 0 HG23 VAL B 66 -2.049 3.976 2.467 1.00 0.00 H new ATOM 2505 N THR B 67 -4.256 6.574 6.125 1.00 0.00 N ATOM 2506 CA THR B 67 -4.355 7.524 7.234 1.00 0.00 C ATOM 2507 C THR B 67 -3.564 6.991 8.426 1.00 0.00 C ATOM 2508 O THR B 67 -3.314 5.789 8.519 1.00 0.00 O ATOM 2509 CB THR B 67 -5.816 7.749 7.622 1.00 0.00 C ATOM 2510 OG1 THR B 67 -6.550 8.271 6.529 1.00 0.00 O ATOM 2511 CG2 THR B 67 -5.990 8.700 8.786 1.00 0.00 C ATOM 0 H THR B 67 -4.730 5.687 6.294 1.00 0.00 H new ATOM 0 HA THR B 67 -3.938 8.482 6.922 1.00 0.00 H new ATOM 0 HB THR B 67 -6.188 6.768 7.918 1.00 0.00 H new ATOM 0 HG1 THR B 67 -7.483 8.407 6.796 1.00 0.00 H new ATOM 0 HG21 THR B 67 -7.051 8.814 9.008 1.00 0.00 H new ATOM 0 HG22 THR B 67 -5.477 8.301 9.661 1.00 0.00 H new ATOM 0 HG23 THR B 67 -5.567 9.671 8.529 1.00 0.00 H new ATOM 2519 N HIS B 68 -3.140 7.881 9.316 1.00 0.00 N ATOM 2520 CA HIS B 68 -2.346 7.467 10.463 1.00 0.00 C ATOM 2521 C HIS B 68 -2.170 8.598 11.471 1.00 0.00 C ATOM 2522 O HIS B 68 -2.029 9.763 11.098 1.00 0.00 O ATOM 2523 CB HIS B 68 -0.982 7.005 9.967 1.00 0.00 C ATOM 2524 CG HIS B 68 -0.310 8.040 9.121 1.00 0.00 C ATOM 2525 ND1 HIS B 68 0.264 9.179 9.641 1.00 0.00 N ATOM 2526 CD2 HIS B 68 -0.168 8.126 7.778 1.00 0.00 C ATOM 2527 CE1 HIS B 68 0.730 9.923 8.655 1.00 0.00 C ATOM 2528 NE2 HIS B 68 0.484 9.307 7.514 1.00 0.00 N ATOM 0 H HIS B 68 -3.331 8.882 9.266 1.00 0.00 H new ATOM 0 HA HIS B 68 -2.868 6.656 10.971 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -0.348 6.768 10.821 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -1.098 6.087 9.391 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -0.504 7.402 7.050 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.228 10.875 8.764 1.00 0.00 H new ATOM 0 HE2 HIS B 68 0.736 9.651 6.588 1.00 0.00 H new ATOM 2537 N GLU B 69 -2.166 8.240 12.750 1.00 0.00 N ATOM 2538 CA GLU B 69 -1.992 9.215 13.822 1.00 0.00 C ATOM 2539 C GLU B 69 -0.627 9.889 13.719 1.00 0.00 C ATOM 2540 O GLU B 69 0.320 9.316 13.181 1.00 0.00 O ATOM 2541 CB GLU B 69 -2.131 8.538 15.184 1.00 0.00 C ATOM 2542 CG GLU B 69 -1.053 7.503 15.451 1.00 0.00 C ATOM 2543 CD GLU B 69 -1.161 6.890 16.833 1.00 0.00 C ATOM 2544 OE1 GLU B 69 -1.075 7.643 17.825 1.00 0.00 O ATOM 2545 OE2 GLU B 69 -1.334 5.658 16.923 1.00 0.00 O ATOM 0 H GLU B 69 -2.282 7.279 13.071 1.00 0.00 H new ATOM 0 HA GLU B 69 -2.768 9.974 13.720 1.00 0.00 H new ATOM 0 HB2 GLU B 69 -2.098 9.298 15.965 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -3.108 8.059 15.246 1.00 0.00 H new ATOM 0 HG2 GLU B 69 -1.119 6.714 14.702 1.00 0.00 H new ATOM 0 HG3 GLU B 69 -0.073 7.968 15.339 1.00 0.00 H new ATOM 2552 N THR B 70 -0.534 11.109 14.235 1.00 0.00 N ATOM 2553 CA THR B 70 0.714 11.865 14.199 1.00 0.00 C ATOM 2554 C THR B 70 1.851 11.109 14.885 1.00 0.00 C ATOM 2555 O THR B 70 1.621 10.291 15.775 1.00 0.00 O ATOM 2556 CB THR B 70 0.530 13.230 14.860 1.00 0.00 C ATOM 2557 OG1 THR B 70 0.139 13.085 16.213 1.00 0.00 O ATOM 2558 CG2 THR B 70 -0.503 14.095 14.173 1.00 0.00 C ATOM 0 H THR B 70 -1.309 11.597 14.684 1.00 0.00 H new ATOM 0 HA THR B 70 0.981 12.003 13.151 1.00 0.00 H new ATOM 0 HB THR B 70 1.500 13.720 14.781 1.00 0.00 H new ATOM 0 HG1 THR B 70 0.028 13.970 16.618 1.00 0.00 H new ATOM 0 HG21 THR B 70 -0.583 15.049 14.694 1.00 0.00 H new ATOM 0 HG22 THR B 70 -0.202 14.270 13.140 1.00 0.00 H new ATOM 0 HG23 THR B 70 -1.469 13.591 14.190 1.00 0.00 H new ATOM 2566 N LYS B 71 3.078 11.395 14.453 1.00 0.00 N ATOM 2567 CA LYS B 71 4.266 10.753 15.009 1.00 0.00 C ATOM 2568 C LYS B 71 4.259 9.259 14.716 1.00 0.00 C ATOM 2569 O LYS B 71 4.656 8.449 15.554 1.00 0.00 O ATOM 2570 CB LYS B 71 4.346 10.986 16.522 1.00 0.00 C ATOM 2571 CG LYS B 71 4.405 12.454 16.926 1.00 0.00 C ATOM 2572 CD LYS B 71 5.825 13.010 16.895 1.00 0.00 C ATOM 2573 CE LYS B 71 6.439 12.945 15.508 1.00 0.00 C ATOM 2574 NZ LYS B 71 7.744 13.659 15.444 1.00 0.00 N ATOM 0 H LYS B 71 3.275 12.071 13.715 1.00 0.00 H new ATOM 0 HA LYS B 71 5.141 11.198 14.536 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.479 10.525 16.996 1.00 0.00 H new ATOM 0 HB3 LYS B 71 5.229 10.478 16.910 1.00 0.00 H new ATOM 0 HG2 LYS B 71 3.775 13.038 16.255 1.00 0.00 H new ATOM 0 HG3 LYS B 71 3.995 12.568 17.929 1.00 0.00 H new ATOM 0 HD2 LYS B 71 5.815 14.045 17.237 1.00 0.00 H new ATOM 0 HD3 LYS B 71 6.448 12.449 17.592 1.00 0.00 H new ATOM 0 HE2 LYS B 71 6.581 11.903 15.223 1.00 0.00 H new ATOM 0 HE3 LYS B 71 5.750 13.382 14.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 8.130 13.591 14.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 7.605 14.659 15.692 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 8.410 13.226 16.115 1.00 0.00 H new ATOM 2588 N HIS B 72 3.812 8.907 13.516 1.00 0.00 N ATOM 2589 CA HIS B 72 3.753 7.510 13.095 1.00 0.00 C ATOM 2590 C HIS B 72 3.603 7.406 11.580 1.00 0.00 C ATOM 2591 O HIS B 72 2.550 7.020 11.070 1.00 0.00 O ATOM 2592 CB HIS B 72 2.600 6.786 13.796 1.00 0.00 C ATOM 2593 CG HIS B 72 2.862 6.514 15.246 1.00 0.00 C ATOM 2594 ND1 HIS B 72 3.888 5.702 15.684 1.00 0.00 N ATOM 2595 CD2 HIS B 72 2.232 6.951 16.364 1.00 0.00 C ATOM 2596 CE1 HIS B 72 3.876 5.652 17.004 1.00 0.00 C ATOM 2597 NE2 HIS B 72 2.882 6.402 17.441 1.00 0.00 N ATOM 0 H HIS B 72 3.484 9.571 12.815 1.00 0.00 H new ATOM 0 HA HIS B 72 4.689 7.030 13.380 1.00 0.00 H new ATOM 0 HB2 HIS B 72 1.695 7.386 13.704 1.00 0.00 H new ATOM 0 HB3 HIS B 72 2.410 5.842 13.285 1.00 0.00 H new ATOM 0 HD2 HIS B 72 1.377 7.609 16.400 1.00 0.00 H new ATOM 0 HE1 HIS B 72 4.563 5.092 17.621 1.00 0.00 H new ATOM 0 HE2 HIS B 72 2.637 6.550 18.420 1.00 0.00 H new ATOM 2606 N PHE B 73 4.670 7.761 10.869 1.00 0.00 N ATOM 2607 CA PHE B 73 4.680 7.721 9.410 1.00 0.00 C ATOM 2608 C PHE B 73 6.112 7.792 8.888 1.00 0.00 C ATOM 2609 O PHE B 73 6.866 8.695 9.252 1.00 0.00 O ATOM 2610 CB PHE B 73 3.865 8.894 8.852 1.00 0.00 C ATOM 2611 CG PHE B 73 3.905 9.026 7.351 1.00 0.00 C ATOM 2612 CD1 PHE B 73 4.207 7.937 6.546 1.00 0.00 C ATOM 2613 CD2 PHE B 73 3.633 10.244 6.747 1.00 0.00 C ATOM 2614 CE1 PHE B 73 4.241 8.064 5.169 1.00 0.00 C ATOM 2615 CE2 PHE B 73 3.668 10.376 5.372 1.00 0.00 C ATOM 2616 CZ PHE B 73 3.972 9.285 4.583 1.00 0.00 C ATOM 0 H PHE B 73 5.545 8.082 11.284 1.00 0.00 H new ATOM 0 HA PHE B 73 4.232 6.783 9.082 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.827 8.781 9.166 1.00 0.00 H new ATOM 0 HB3 PHE B 73 4.233 9.819 9.295 1.00 0.00 H new ATOM 0 HD1 PHE B 73 4.418 6.980 6.999 1.00 0.00 H new ATOM 0 HD2 PHE B 73 3.391 11.100 7.359 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.478 7.209 4.553 1.00 0.00 H new ATOM 0 HE2 PHE B 73 3.458 11.332 4.915 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.999 9.386 3.508 1.00 0.00 H new ATOM 2626 N ILE B 74 6.492 6.839 8.039 1.00 0.00 N ATOM 2627 CA ILE B 74 7.842 6.817 7.491 1.00 0.00 C ATOM 2628 C ILE B 74 7.899 6.112 6.136 1.00 0.00 C ATOM 2629 O ILE B 74 7.338 5.031 5.956 1.00 0.00 O ATOM 2630 CB ILE B 74 8.826 6.131 8.461 1.00 0.00 C ATOM 2631 CG1 ILE B 74 10.239 6.098 7.868 1.00 0.00 C ATOM 2632 CG2 ILE B 74 8.352 4.722 8.789 1.00 0.00 C ATOM 2633 CD1 ILE B 74 11.257 5.446 8.776 1.00 0.00 C ATOM 0 H ILE B 74 5.890 6.080 7.720 1.00 0.00 H new ATOM 0 HA ILE B 74 8.136 7.858 7.353 1.00 0.00 H new ATOM 0 HB ILE B 74 8.858 6.710 9.384 1.00 0.00 H new ATOM 0 HG12 ILE B 74 10.214 5.562 6.919 1.00 0.00 H new ATOM 0 HG13 ILE B 74 10.557 7.117 7.651 1.00 0.00 H new ATOM 0 HG21 ILE B 74 9.057 4.251 9.474 1.00 0.00 H new ATOM 0 HG22 ILE B 74 7.368 4.769 9.256 1.00 0.00 H new ATOM 0 HG23 ILE B 74 8.291 4.136 7.872 1.00 0.00 H new ATOM 0 HD11 ILE B 74 12.234 5.457 8.294 1.00 0.00 H new ATOM 0 HD12 ILE B 74 11.310 5.995 9.716 1.00 0.00 H new ATOM 0 HD13 ILE B 74 10.961 4.416 8.973 1.00 0.00 H new ATOM 2645 N TYR B 75 8.601 6.738 5.198 1.00 0.00 N ATOM 2646 CA TYR B 75 8.771 6.195 3.854 1.00 0.00 C ATOM 2647 C TYR B 75 10.209 6.418 3.399 1.00 0.00 C ATOM 2648 O TYR B 75 10.784 7.477 3.647 1.00 0.00 O ATOM 2649 CB TYR B 75 7.793 6.856 2.880 1.00 0.00 C ATOM 2650 CG TYR B 75 7.875 6.318 1.466 1.00 0.00 C ATOM 2651 CD1 TYR B 75 9.005 6.524 0.683 1.00 0.00 C ATOM 2652 CD2 TYR B 75 6.820 5.601 0.918 1.00 0.00 C ATOM 2653 CE1 TYR B 75 9.080 6.031 -0.606 1.00 0.00 C ATOM 2654 CE2 TYR B 75 6.888 5.104 -0.370 1.00 0.00 C ATOM 2655 CZ TYR B 75 8.018 5.323 -1.127 1.00 0.00 C ATOM 2656 OH TYR B 75 8.089 4.831 -2.410 1.00 0.00 O ATOM 0 H TYR B 75 9.067 7.633 5.346 1.00 0.00 H new ATOM 0 HA TYR B 75 8.560 5.126 3.870 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.778 6.719 3.252 1.00 0.00 H new ATOM 0 HB3 TYR B 75 7.984 7.929 2.861 1.00 0.00 H new ATOM 0 HD1 TYR B 75 9.838 7.079 1.089 1.00 0.00 H new ATOM 0 HD2 TYR B 75 5.932 5.429 1.508 1.00 0.00 H new ATOM 0 HE1 TYR B 75 9.965 6.199 -1.201 1.00 0.00 H new ATOM 0 HE2 TYR B 75 6.059 4.547 -0.781 1.00 0.00 H new ATOM 0 HH TYR B 75 8.906 5.159 -2.841 1.00 0.00 H new ATOM 2666 N PHE B 76 10.803 5.414 2.758 1.00 0.00 N ATOM 2667 CA PHE B 76 12.187 5.530 2.315 1.00 0.00 C ATOM 2668 C PHE B 76 12.581 4.427 1.333 1.00 0.00 C ATOM 2669 O PHE B 76 12.240 3.258 1.517 1.00 0.00 O ATOM 2670 CB PHE B 76 13.117 5.498 3.534 1.00 0.00 C ATOM 2671 CG PHE B 76 12.960 4.267 4.388 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.755 3.982 5.016 1.00 0.00 C ATOM 2673 CD2 PHE B 76 14.021 3.395 4.564 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.615 2.852 5.797 1.00 0.00 C ATOM 2675 CE2 PHE B 76 13.887 2.264 5.347 1.00 0.00 C ATOM 2676 CZ PHE B 76 12.682 1.991 5.963 1.00 0.00 C ATOM 0 H PHE B 76 10.355 4.525 2.537 1.00 0.00 H new ATOM 0 HA PHE B 76 12.285 6.479 1.788 1.00 0.00 H new ATOM 0 HB2 PHE B 76 14.150 5.562 3.193 1.00 0.00 H new ATOM 0 HB3 PHE B 76 12.928 6.380 4.146 1.00 0.00 H new ATOM 0 HD1 PHE B 76 10.917 4.652 4.892 1.00 0.00 H new ATOM 0 HD2 PHE B 76 14.966 3.601 4.083 1.00 0.00 H new ATOM 0 HE1 PHE B 76 10.671 2.641 6.278 1.00 0.00 H new ATOM 0 HE2 PHE B 76 14.724 1.594 5.477 1.00 0.00 H new ATOM 0 HZ PHE B 76 12.574 1.106 6.573 1.00 0.00 H new ATOM 2686 N TYR B 77 13.321 4.819 0.294 1.00 0.00 N ATOM 2687 CA TYR B 77 13.798 3.884 -0.723 1.00 0.00 C ATOM 2688 C TYR B 77 15.003 3.100 -0.216 1.00 0.00 C ATOM 2689 O TYR B 77 15.787 3.600 0.588 1.00 0.00 O ATOM 2690 CB TYR B 77 14.177 4.632 -2.004 1.00 0.00 C ATOM 2691 CG TYR B 77 12.999 5.025 -2.868 1.00 0.00 C ATOM 2692 CD1 TYR B 77 12.262 4.064 -3.548 1.00 0.00 C ATOM 2693 CD2 TYR B 77 12.629 6.356 -3.009 1.00 0.00 C ATOM 2694 CE1 TYR B 77 11.189 4.418 -4.345 1.00 0.00 C ATOM 2695 CE2 TYR B 77 11.556 6.719 -3.802 1.00 0.00 C ATOM 2696 CZ TYR B 77 10.841 5.746 -4.468 1.00 0.00 C ATOM 2697 OH TYR B 77 9.774 6.103 -5.260 1.00 0.00 O ATOM 0 H TYR B 77 13.604 5.786 0.136 1.00 0.00 H new ATOM 0 HA TYR B 77 12.989 3.186 -0.941 1.00 0.00 H new ATOM 0 HB2 TYR B 77 14.731 5.531 -1.735 1.00 0.00 H new ATOM 0 HB3 TYR B 77 14.850 4.006 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR B 77 12.532 3.023 -3.453 1.00 0.00 H new ATOM 0 HD2 TYR B 77 13.189 7.120 -2.491 1.00 0.00 H new ATOM 0 HE1 TYR B 77 10.627 3.658 -4.868 1.00 0.00 H new ATOM 0 HE2 TYR B 77 11.280 7.758 -3.899 1.00 0.00 H new ATOM 0 HH TYR B 77 9.661 7.076 -5.238 1.00 0.00 H new ATOM 2707 N LEU B 78 15.149 1.870 -0.698 1.00 0.00 N ATOM 2708 CA LEU B 78 16.263 1.014 -0.301 1.00 0.00 C ATOM 2709 C LEU B 78 16.329 -0.237 -1.172 1.00 0.00 C ATOM 2710 O LEU B 78 15.302 -0.821 -1.512 1.00 0.00 O ATOM 2711 CB LEU B 78 16.135 0.612 1.168 1.00 0.00 C ATOM 2712 CG LEU B 78 17.238 -0.314 1.690 1.00 0.00 C ATOM 2713 CD1 LEU B 78 18.611 0.306 1.473 1.00 0.00 C ATOM 2714 CD2 LEU B 78 17.020 -0.623 3.164 1.00 0.00 C ATOM 0 H LEU B 78 14.508 1.442 -1.366 1.00 0.00 H new ATOM 0 HA LEU B 78 17.183 1.583 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU B 78 16.125 1.517 1.776 1.00 0.00 H new ATOM 0 HB3 LEU B 78 15.173 0.121 1.311 1.00 0.00 H new ATOM 0 HG LEU B 78 17.193 -1.248 1.130 1.00 0.00 H new ATOM 0 HD11 LEU B 78 19.379 -0.369 1.851 1.00 0.00 H new ATOM 0 HD12 LEU B 78 18.769 0.476 0.408 1.00 0.00 H new ATOM 0 HD13 LEU B 78 18.669 1.256 2.004 1.00 0.00 H new ATOM 0 HD21 LEU B 78 17.812 -1.282 3.519 1.00 0.00 H new ATOM 0 HD22 LEU B 78 17.036 0.304 3.736 1.00 0.00 H new ATOM 0 HD23 LEU B 78 16.055 -1.113 3.294 1.00 0.00 H new ATOM 2726 N GLY B 79 17.545 -0.641 -1.531 1.00 0.00 N ATOM 2727 CA GLY B 79 17.722 -1.821 -2.359 1.00 0.00 C ATOM 2728 C GLY B 79 16.920 -1.749 -3.640 1.00 0.00 C ATOM 2729 O GLY B 79 16.347 -2.745 -4.083 1.00 0.00 O ATOM 0 H GLY B 79 18.410 -0.172 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY B 79 18.779 -1.938 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY B 79 17.424 -2.705 -1.796 1.00 0.00 H new ATOM 2733 N GLN B 80 16.878 -0.563 -4.232 1.00 0.00 N ATOM 2734 CA GLN B 80 16.142 -0.348 -5.469 1.00 0.00 C ATOM 2735 C GLN B 80 14.671 -0.721 -5.300 1.00 0.00 C ATOM 2736 O GLN B 80 14.055 -1.280 -6.208 1.00 0.00 O ATOM 2737 CB GLN B 80 16.759 -1.165 -6.606 1.00 0.00 C ATOM 2738 CG GLN B 80 18.214 -0.820 -6.883 1.00 0.00 C ATOM 2739 CD GLN B 80 18.803 -1.646 -8.011 1.00 0.00 C ATOM 2740 OE1 GLN B 80 18.315 -1.609 -9.141 1.00 0.00 O ATOM 2741 NE2 GLN B 80 19.856 -2.395 -7.708 1.00 0.00 N ATOM 0 H GLN B 80 17.348 0.268 -3.873 1.00 0.00 H new ATOM 0 HA GLN B 80 16.204 0.711 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN B 80 16.686 -2.225 -6.362 1.00 0.00 H new ATOM 0 HB3 GLN B 80 16.177 -1.006 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN B 80 18.292 0.238 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN B 80 18.800 -0.977 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN B 80 20.226 -2.394 -6.758 1.00 0.00 H new ATOM 0 HE22 GLN B 80 20.295 -2.972 -8.426 1.00 0.00 H new ATOM 2750 N VAL B 81 14.113 -0.399 -4.135 1.00 0.00 N ATOM 2751 CA VAL B 81 12.712 -0.694 -3.849 1.00 0.00 C ATOM 2752 C VAL B 81 12.177 0.213 -2.746 1.00 0.00 C ATOM 2753 O VAL B 81 12.842 0.445 -1.736 1.00 0.00 O ATOM 2754 CB VAL B 81 12.508 -2.167 -3.438 1.00 0.00 C ATOM 2755 CG1 VAL B 81 12.878 -3.099 -4.582 1.00 0.00 C ATOM 2756 CG2 VAL B 81 13.315 -2.501 -2.192 1.00 0.00 C ATOM 0 H VAL B 81 14.610 0.066 -3.375 1.00 0.00 H new ATOM 0 HA VAL B 81 12.159 -0.511 -4.770 1.00 0.00 H new ATOM 0 HB VAL B 81 11.453 -2.310 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL B 81 12.727 -4.133 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL B 81 12.248 -2.883 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL B 81 13.924 -2.949 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL B 81 13.154 -3.545 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL B 81 14.374 -2.337 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL B 81 12.996 -1.861 -1.369 1.00 0.00 H new ATOM 2766 N ALA B 82 10.972 0.733 -2.953 1.00 0.00 N ATOM 2767 CA ALA B 82 10.340 1.625 -1.986 1.00 0.00 C ATOM 2768 C ALA B 82 9.930 0.882 -0.720 1.00 0.00 C ATOM 2769 O ALA B 82 9.449 -0.249 -0.778 1.00 0.00 O ATOM 2770 CB ALA B 82 9.129 2.300 -2.611 1.00 0.00 C ATOM 0 H ALA B 82 10.411 0.551 -3.785 1.00 0.00 H new ATOM 0 HA ALA B 82 11.072 2.383 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA B 82 8.665 2.963 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA B 82 9.443 2.879 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA B 82 8.410 1.542 -2.921 1.00 0.00 H new ATOM 2776 N ILE B 83 10.118 1.530 0.427 1.00 0.00 N ATOM 2777 CA ILE B 83 9.759 0.938 1.709 1.00 0.00 C ATOM 2778 C ILE B 83 8.874 1.889 2.511 1.00 0.00 C ATOM 2779 O ILE B 83 9.160 3.082 2.610 1.00 0.00 O ATOM 2780 CB ILE B 83 11.013 0.586 2.536 1.00 0.00 C ATOM 2781 CG1 ILE B 83 11.914 -0.368 1.753 1.00 0.00 C ATOM 2782 CG2 ILE B 83 10.616 -0.030 3.873 1.00 0.00 C ATOM 2783 CD1 ILE B 83 13.180 -0.746 2.490 1.00 0.00 C ATOM 0 H ILE B 83 10.518 2.466 0.493 1.00 0.00 H new ATOM 0 HA ILE B 83 9.209 0.020 1.501 1.00 0.00 H new ATOM 0 HB ILE B 83 11.567 1.504 2.733 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.355 -1.274 1.520 1.00 0.00 H new ATOM 0 HG13 ILE B 83 12.181 0.095 0.803 1.00 0.00 H new ATOM 0 HG21 ILE B 83 11.513 -0.272 4.443 1.00 0.00 H new ATOM 0 HG22 ILE B 83 10.010 0.680 4.435 1.00 0.00 H new ATOM 0 HG23 ILE B 83 10.041 -0.939 3.698 1.00 0.00 H new ATOM 0 HD11 ILE B 83 13.770 -1.425 1.875 1.00 0.00 H new ATOM 0 HD12 ILE B 83 13.761 0.152 2.699 1.00 0.00 H new ATOM 0 HD13 ILE B 83 12.922 -1.238 3.428 1.00 0.00 H new ATOM 2795 N LEU B 84 7.795 1.356 3.076 1.00 0.00 N ATOM 2796 CA LEU B 84 6.867 2.165 3.860 1.00 0.00 C ATOM 2797 C LEU B 84 6.485 1.463 5.160 1.00 0.00 C ATOM 2798 O LEU B 84 6.366 0.239 5.208 1.00 0.00 O ATOM 2799 CB LEU B 84 5.609 2.469 3.045 1.00 0.00 C ATOM 2800 CG LEU B 84 4.558 3.315 3.768 1.00 0.00 C ATOM 2801 CD1 LEU B 84 5.126 4.676 4.140 1.00 0.00 C ATOM 2802 CD2 LEU B 84 3.315 3.472 2.904 1.00 0.00 C ATOM 0 H LEU B 84 7.542 0.370 3.006 1.00 0.00 H new ATOM 0 HA LEU B 84 7.368 3.100 4.110 1.00 0.00 H new ATOM 0 HB2 LEU B 84 5.903 2.985 2.131 1.00 0.00 H new ATOM 0 HB3 LEU B 84 5.151 1.526 2.746 1.00 0.00 H new ATOM 0 HG LEU B 84 4.277 2.801 4.687 1.00 0.00 H new ATOM 0 HD11 LEU B 84 4.363 5.261 4.653 1.00 0.00 H new ATOM 0 HD12 LEU B 84 5.985 4.544 4.798 1.00 0.00 H new ATOM 0 HD13 LEU B 84 5.438 5.199 3.236 1.00 0.00 H new ATOM 0 HD21 LEU B 84 2.578 4.076 3.433 1.00 0.00 H new ATOM 0 HD22 LEU B 84 3.582 3.963 1.968 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.893 2.490 2.691 1.00 0.00 H new ATOM 2814 N LEU B 85 6.290 2.254 6.212 1.00 0.00 N ATOM 2815 CA LEU B 85 5.919 1.719 7.517 1.00 0.00 C ATOM 2816 C LEU B 85 5.288 2.806 8.382 1.00 0.00 C ATOM 2817 O LEU B 85 5.692 3.970 8.332 1.00 0.00 O ATOM 2818 CB LEU B 85 7.142 1.133 8.224 1.00 0.00 C ATOM 2819 CG LEU B 85 6.848 0.451 9.563 1.00 0.00 C ATOM 2820 CD1 LEU B 85 5.924 -0.740 9.363 1.00 0.00 C ATOM 2821 CD2 LEU B 85 8.141 0.020 10.236 1.00 0.00 C ATOM 0 H LEU B 85 6.383 3.269 6.185 1.00 0.00 H new ATOM 0 HA LEU B 85 5.188 0.925 7.364 1.00 0.00 H new ATOM 0 HB2 LEU B 85 7.615 0.409 7.560 1.00 0.00 H new ATOM 0 HB3 LEU B 85 7.864 1.932 8.391 1.00 0.00 H new ATOM 0 HG LEU B 85 6.346 1.168 10.213 1.00 0.00 H new ATOM 0 HD11 LEU B 85 5.726 -1.212 10.325 1.00 0.00 H new ATOM 0 HD12 LEU B 85 4.985 -0.402 8.924 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.398 -1.460 8.696 1.00 0.00 H new ATOM 0 HD21 LEU B 85 7.913 -0.463 11.186 1.00 0.00 H new ATOM 0 HD22 LEU B 85 8.671 -0.681 9.591 1.00 0.00 H new ATOM 0 HD23 LEU B 85 8.767 0.894 10.414 1.00 0.00 H new ATOM 2833 N PHE B 86 4.286 2.422 9.166 1.00 0.00 N ATOM 2834 CA PHE B 86 3.590 3.365 10.035 1.00 0.00 C ATOM 2835 C PHE B 86 2.523 2.656 10.865 1.00 0.00 C ATOM 2836 O PHE B 86 1.690 1.929 10.326 1.00 0.00 O ATOM 2837 CB PHE B 86 2.942 4.469 9.200 1.00 0.00 C ATOM 2838 CG PHE B 86 1.944 3.955 8.201 1.00 0.00 C ATOM 2839 CD1 PHE B 86 2.359 3.254 7.080 1.00 0.00 C ATOM 2840 CD2 PHE B 86 0.589 4.164 8.391 1.00 0.00 C ATOM 2841 CE1 PHE B 86 1.443 2.774 6.166 1.00 0.00 C ATOM 2842 CE2 PHE B 86 -0.334 3.686 7.480 1.00 0.00 C ATOM 2843 CZ PHE B 86 0.094 2.990 6.366 1.00 0.00 C ATOM 0 H PHE B 86 3.938 1.465 9.218 1.00 0.00 H new ATOM 0 HA PHE B 86 4.322 3.805 10.713 1.00 0.00 H new ATOM 0 HB2 PHE B 86 2.447 5.175 9.867 1.00 0.00 H new ATOM 0 HB3 PHE B 86 3.721 5.020 8.673 1.00 0.00 H new ATOM 0 HD1 PHE B 86 3.413 3.081 6.919 1.00 0.00 H new ATOM 0 HD2 PHE B 86 0.249 4.707 9.261 1.00 0.00 H new ATOM 0 HE1 PHE B 86 1.781 2.230 5.296 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -1.389 3.856 7.639 1.00 0.00 H new ATOM 0 HZ PHE B 86 -0.625 2.615 5.653 1.00 0.00 H new ATOM 2853 N LYS B 87 2.555 2.871 12.177 1.00 0.00 N ATOM 2854 CA LYS B 87 1.589 2.248 13.075 1.00 0.00 C ATOM 2855 C LYS B 87 0.301 3.058 13.153 1.00 0.00 C ATOM 2856 O LYS B 87 0.286 4.253 12.857 1.00 0.00 O ATOM 2857 CB LYS B 87 2.199 2.065 14.468 1.00 0.00 C ATOM 2858 CG LYS B 87 2.353 3.354 15.254 1.00 0.00 C ATOM 2859 CD LYS B 87 1.111 3.655 16.075 1.00 0.00 C ATOM 2860 CE LYS B 87 0.950 2.676 17.228 1.00 0.00 C ATOM 2861 NZ LYS B 87 -0.270 2.958 18.031 1.00 0.00 N ATOM 0 H LYS B 87 3.238 3.470 12.641 1.00 0.00 H new ATOM 0 HA LYS B 87 1.338 1.267 12.672 1.00 0.00 H new ATOM 0 HB2 LYS B 87 1.575 1.377 15.038 1.00 0.00 H new ATOM 0 HB3 LYS B 87 3.178 1.596 14.365 1.00 0.00 H new ATOM 0 HG2 LYS B 87 3.217 3.278 15.914 1.00 0.00 H new ATOM 0 HG3 LYS B 87 2.546 4.179 14.568 1.00 0.00 H new ATOM 0 HD2 LYS B 87 1.170 4.671 16.465 1.00 0.00 H new ATOM 0 HD3 LYS B 87 0.231 3.610 15.434 1.00 0.00 H new ATOM 0 HE2 LYS B 87 0.900 1.660 16.837 1.00 0.00 H new ATOM 0 HE3 LYS B 87 1.828 2.727 17.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -0.012 3.046 19.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -0.702 3.846 17.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -0.950 2.179 17.915 1.00 0.00 H new ATOM 2875 N SER B 88 -0.780 2.395 13.555 1.00 0.00 N ATOM 2876 CA SER B 88 -2.077 3.045 13.673 1.00 0.00 C ATOM 2877 C SER B 88 -2.780 2.627 14.961 1.00 0.00 C ATOM 2878 O SER B 88 -2.803 1.449 15.314 1.00 0.00 O ATOM 2879 CB SER B 88 -2.952 2.701 12.467 1.00 0.00 C ATOM 2880 OG SER B 88 -4.217 3.333 12.557 1.00 0.00 O ATOM 0 H SER B 88 -0.781 1.406 13.804 1.00 0.00 H new ATOM 0 HA SER B 88 -1.915 4.123 13.702 1.00 0.00 H new ATOM 0 HB2 SER B 88 -2.451 3.012 11.550 1.00 0.00 H new ATOM 0 HB3 SER B 88 -3.085 1.621 12.407 1.00 0.00 H new ATOM 0 HG SER B 88 -4.756 3.098 11.773 1.00 0.00 H new ATOM 2886 N GLY B 89 -3.353 3.602 15.659 1.00 0.00 N ATOM 2887 CA GLY B 89 -4.049 3.314 16.900 1.00 0.00 C ATOM 2888 C GLY B 89 -4.629 4.559 17.541 1.00 0.00 C ATOM 2889 O GLY B 89 -5.608 5.109 16.992 1.00 0.00 O ATOM 2890 OXT GLY B 89 -4.108 4.984 18.593 1.00 0.00 O ATOM 0 H GLY B 89 -3.348 4.585 15.388 1.00 0.00 H new ATOM 0 HA2 GLY B 89 -4.851 2.601 16.707 1.00 0.00 H new ATOM 0 HA3 GLY B 89 -3.360 2.837 17.597 1.00 0.00 H new ATOM 2895 N MET C 1 -9.231 -8.729 13.790 1.00 0.00 N ATOM 2896 CA MET C 1 -8.564 -8.111 12.612 1.00 0.00 C ATOM 2897 C MET C 1 -7.620 -9.103 11.937 1.00 0.00 C ATOM 2898 O MET C 1 -6.774 -9.712 12.591 1.00 0.00 O ATOM 2899 CB MET C 1 -7.791 -6.880 13.087 1.00 0.00 C ATOM 2900 CG MET C 1 -8.658 -5.860 13.807 1.00 0.00 C ATOM 2901 SD MET C 1 -7.715 -4.450 14.420 1.00 0.00 S ATOM 2902 CE MET C 1 -7.091 -3.763 12.890 1.00 0.00 C ATOM 0 H1 MET C 1 -10.070 -8.171 14.046 1.00 0.00 H new ATOM 0 H2 MET C 1 -9.519 -9.700 13.556 1.00 0.00 H new ATOM 0 H3 MET C 1 -8.570 -8.748 14.593 1.00 0.00 H new ATOM 0 HA MET C 1 -9.316 -7.822 11.878 1.00 0.00 H new ATOM 0 HB2 MET C 1 -6.990 -7.199 13.753 1.00 0.00 H new ATOM 0 HB3 MET C 1 -7.320 -6.403 12.228 1.00 0.00 H new ATOM 0 HG2 MET C 1 -9.433 -5.505 13.128 1.00 0.00 H new ATOM 0 HG3 MET C 1 -9.163 -6.344 14.643 1.00 0.00 H new ATOM 0 HE1 MET C 1 -6.001 -3.765 12.908 1.00 0.00 H new ATOM 0 HE2 MET C 1 -7.442 -4.365 12.051 1.00 0.00 H new ATOM 0 HE3 MET C 1 -7.450 -2.740 12.778 1.00 0.00 H new ATOM 2914 N LYS C 2 -7.774 -9.261 10.626 1.00 0.00 N ATOM 2915 CA LYS C 2 -6.937 -10.182 9.865 1.00 0.00 C ATOM 2916 C LYS C 2 -5.852 -9.434 9.105 1.00 0.00 C ATOM 2917 O LYS C 2 -6.112 -8.412 8.471 1.00 0.00 O ATOM 2918 CB LYS C 2 -7.783 -11.007 8.892 1.00 0.00 C ATOM 2919 CG LYS C 2 -8.645 -12.067 9.565 1.00 0.00 C ATOM 2920 CD LYS C 2 -9.638 -11.459 10.542 1.00 0.00 C ATOM 2921 CE LYS C 2 -10.531 -12.523 11.159 1.00 0.00 C ATOM 2922 NZ LYS C 2 -11.316 -13.259 10.131 1.00 0.00 N ATOM 0 H LYS C 2 -8.469 -8.764 10.069 1.00 0.00 H new ATOM 0 HA LYS C 2 -6.459 -10.857 10.575 1.00 0.00 H new ATOM 0 HB2 LYS C 2 -8.428 -10.334 8.327 1.00 0.00 H new ATOM 0 HB3 LYS C 2 -7.122 -11.493 8.174 1.00 0.00 H new ATOM 0 HG2 LYS C 2 -9.184 -12.632 8.805 1.00 0.00 H new ATOM 0 HG3 LYS C 2 -8.004 -12.774 10.092 1.00 0.00 H new ATOM 0 HD2 LYS C 2 -9.100 -10.932 11.330 1.00 0.00 H new ATOM 0 HD3 LYS C 2 -10.252 -10.720 10.027 1.00 0.00 H new ATOM 0 HE2 LYS C 2 -9.919 -13.228 11.721 1.00 0.00 H new ATOM 0 HE3 LYS C 2 -11.213 -12.056 11.870 1.00 0.00 H new ATOM 0 HZ1 LYS C 2 -12.095 -13.773 10.591 1.00 0.00 H new ATOM 0 HZ2 LYS C 2 -11.706 -12.584 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS C 2 -10.697 -13.936 9.640 1.00 0.00 H new ATOM 2936 N ASP C 3 -4.633 -9.952 9.176 1.00 0.00 N ATOM 2937 CA ASP C 3 -3.507 -9.332 8.500 1.00 0.00 C ATOM 2938 C ASP C 3 -3.453 -9.724 7.025 1.00 0.00 C ATOM 2939 O ASP C 3 -3.349 -10.903 6.686 1.00 0.00 O ATOM 2940 CB ASP C 3 -2.198 -9.708 9.200 1.00 0.00 C ATOM 2941 CG ASP C 3 -2.023 -11.207 9.351 1.00 0.00 C ATOM 2942 OD1 ASP C 3 -1.927 -11.904 8.320 1.00 0.00 O ATOM 2943 OD2 ASP C 3 -1.986 -11.684 10.505 1.00 0.00 O ATOM 0 H ASP C 3 -4.401 -10.799 9.695 1.00 0.00 H new ATOM 0 HA ASP C 3 -3.641 -8.251 8.550 1.00 0.00 H new ATOM 0 HB2 ASP C 3 -1.359 -9.304 8.633 1.00 0.00 H new ATOM 0 HB3 ASP C 3 -2.171 -9.242 10.185 1.00 0.00 H new ATOM 2948 N THR C 4 -3.516 -8.725 6.151 1.00 0.00 N ATOM 2949 CA THR C 4 -3.461 -8.959 4.718 1.00 0.00 C ATOM 2950 C THR C 4 -2.015 -9.114 4.263 1.00 0.00 C ATOM 2951 O THR C 4 -1.114 -8.477 4.810 1.00 0.00 O ATOM 2952 CB THR C 4 -4.123 -7.805 3.965 1.00 0.00 C ATOM 2953 OG1 THR C 4 -4.300 -8.143 2.596 1.00 0.00 O ATOM 2954 CG2 THR C 4 -3.330 -6.513 4.030 1.00 0.00 C ATOM 0 H THR C 4 -3.605 -7.744 6.414 1.00 0.00 H new ATOM 0 HA THR C 4 -4.001 -9.880 4.497 1.00 0.00 H new ATOM 0 HB THR C 4 -5.081 -7.642 4.458 1.00 0.00 H new ATOM 0 HG1 THR C 4 -5.200 -7.883 2.309 1.00 0.00 H new ATOM 0 HG21 THR C 4 -3.855 -5.735 3.476 1.00 0.00 H new ATOM 0 HG22 THR C 4 -3.220 -6.206 5.070 1.00 0.00 H new ATOM 0 HG23 THR C 4 -2.344 -6.669 3.591 1.00 0.00 H new ATOM 2962 N GLY C 5 -1.794 -9.953 3.262 1.00 0.00 N ATOM 2963 CA GLY C 5 -0.451 -10.159 2.762 1.00 0.00 C ATOM 2964 C GLY C 5 -0.437 -10.586 1.310 1.00 0.00 C ATOM 2965 O GLY C 5 -1.075 -11.571 0.939 1.00 0.00 O ATOM 0 H GLY C 5 -2.518 -10.493 2.788 1.00 0.00 H new ATOM 0 HA2 GLY C 5 0.121 -9.238 2.873 1.00 0.00 H new ATOM 0 HA3 GLY C 5 0.047 -10.918 3.366 1.00 0.00 H new ATOM 2969 N ILE C 6 0.297 -9.842 0.489 1.00 0.00 N ATOM 2970 CA ILE C 6 0.392 -10.147 -0.933 1.00 0.00 C ATOM 2971 C ILE C 6 1.618 -9.492 -1.562 1.00 0.00 C ATOM 2972 O ILE C 6 1.925 -8.330 -1.296 1.00 0.00 O ATOM 2973 CB ILE C 6 -0.883 -9.710 -1.690 1.00 0.00 C ATOM 2974 CG1 ILE C 6 -1.274 -8.273 -1.328 1.00 0.00 C ATOM 2975 CG2 ILE C 6 -2.034 -10.660 -1.396 1.00 0.00 C ATOM 2976 CD1 ILE C 6 -0.395 -7.219 -1.962 1.00 0.00 C ATOM 0 H ILE C 6 0.833 -9.026 0.783 1.00 0.00 H new ATOM 0 HA ILE C 6 0.493 -11.229 -1.020 1.00 0.00 H new ATOM 0 HB ILE C 6 -0.666 -9.745 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -2.307 -8.101 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -1.237 -8.159 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -2.922 -10.335 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -1.764 -11.667 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -2.242 -10.659 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -0.736 -6.230 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE C 6 0.636 -7.363 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -0.450 -7.304 -3.047 1.00 0.00 H new ATOM 2988 N GLN C 7 2.323 -10.258 -2.389 1.00 0.00 N ATOM 2989 CA GLN C 7 3.528 -9.771 -3.056 1.00 0.00 C ATOM 2990 C GLN C 7 3.289 -9.572 -4.551 1.00 0.00 C ATOM 2991 O GLN C 7 3.763 -10.354 -5.374 1.00 0.00 O ATOM 2992 CB GLN C 7 4.687 -10.744 -2.832 1.00 0.00 C ATOM 2993 CG GLN C 7 4.376 -12.176 -3.241 1.00 0.00 C ATOM 2994 CD GLN C 7 5.536 -13.118 -2.987 1.00 0.00 C ATOM 2995 OE1 GLN C 7 5.981 -13.282 -1.851 1.00 0.00 O ATOM 2996 NE2 GLN C 7 6.033 -13.744 -4.048 1.00 0.00 N ATOM 0 H GLN C 7 2.080 -11.223 -2.615 1.00 0.00 H new ATOM 0 HA GLN C 7 3.786 -8.805 -2.623 1.00 0.00 H new ATOM 0 HB2 GLN C 7 5.554 -10.396 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN C 7 4.963 -10.729 -1.778 1.00 0.00 H new ATOM 0 HG2 GLN C 7 3.502 -12.525 -2.692 1.00 0.00 H new ATOM 0 HG3 GLN C 7 4.118 -12.200 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN C 7 5.633 -13.578 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN C 7 6.814 -14.390 -3.939 1.00 0.00 H new ATOM 3005 N VAL C 8 2.550 -8.524 -4.898 1.00 0.00 N ATOM 3006 CA VAL C 8 2.253 -8.236 -6.295 1.00 0.00 C ATOM 3007 C VAL C 8 3.506 -7.779 -7.038 1.00 0.00 C ATOM 3008 O VAL C 8 4.294 -6.987 -6.520 1.00 0.00 O ATOM 3009 CB VAL C 8 1.164 -7.153 -6.426 1.00 0.00 C ATOM 3010 CG1 VAL C 8 0.809 -6.919 -7.887 1.00 0.00 C ATOM 3011 CG2 VAL C 8 -0.070 -7.538 -5.624 1.00 0.00 C ATOM 0 H VAL C 8 2.147 -7.863 -4.234 1.00 0.00 H new ATOM 0 HA VAL C 8 1.887 -9.161 -6.740 1.00 0.00 H new ATOM 0 HB VAL C 8 1.557 -6.220 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL C 8 0.039 -6.151 -7.956 1.00 0.00 H new ATOM 0 HG12 VAL C 8 1.696 -6.592 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.437 -7.846 -8.324 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -0.828 -6.762 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.465 -8.484 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL C 8 0.198 -7.645 -4.573 1.00 0.00 H new ATOM 3222 N ASP D 3 -2.691 11.589 6.510 1.00 0.00 N ATOM 3223 CA ASP D 3 -2.900 10.645 5.428 1.00 0.00 C ATOM 3224 C ASP D 3 -1.674 10.535 4.527 1.00 0.00 C ATOM 3225 O ASP D 3 -1.300 11.489 3.844 1.00 0.00 O ATOM 3226 CB ASP D 3 -4.119 11.050 4.600 1.00 0.00 C ATOM 3227 CG ASP D 3 -4.427 10.055 3.499 1.00 0.00 C ATOM 3228 OD1 ASP D 3 -3.540 9.817 2.651 1.00 0.00 O ATOM 3229 OD2 ASP D 3 -5.552 9.513 3.485 1.00 0.00 O ATOM 0 HA ASP D 3 -3.074 9.667 5.877 1.00 0.00 H new ATOM 0 HB2 ASP D 3 -4.985 11.142 5.255 1.00 0.00 H new ATOM 0 HB3 ASP D 3 -3.946 12.032 4.160 1.00 0.00 H new ATOM 3234 N THR D 4 -1.071 9.352 4.515 1.00 0.00 N ATOM 3235 CA THR D 4 0.092 9.087 3.683 1.00 0.00 C ATOM 3236 C THR D 4 -0.332 8.912 2.228 1.00 0.00 C ATOM 3237 O THR D 4 -1.368 8.311 1.947 1.00 0.00 O ATOM 3238 CB THR D 4 0.815 7.837 4.175 1.00 0.00 C ATOM 3239 OG1 THR D 4 1.364 8.048 5.463 1.00 0.00 O ATOM 3240 CG2 THR D 4 1.937 7.383 3.264 1.00 0.00 C ATOM 0 H THR D 4 -1.373 8.557 5.078 1.00 0.00 H new ATOM 0 HA THR D 4 0.773 9.935 3.750 1.00 0.00 H new ATOM 0 HB THR D 4 0.053 7.058 4.192 1.00 0.00 H new ATOM 0 HG1 THR D 4 2.212 8.532 5.382 1.00 0.00 H new ATOM 0 HG21 THR D 4 2.404 6.490 3.679 1.00 0.00 H new ATOM 0 HG22 THR D 4 1.535 7.157 2.276 1.00 0.00 H new ATOM 0 HG23 THR D 4 2.681 8.175 3.180 1.00 0.00 H new ATOM 3248 N GLY D 5 0.468 9.437 1.311 1.00 0.00 N ATOM 3249 CA GLY D 5 0.146 9.320 -0.098 1.00 0.00 C ATOM 3250 C GLY D 5 1.358 9.526 -0.980 1.00 0.00 C ATOM 3251 O GLY D 5 2.071 10.520 -0.840 1.00 0.00 O ATOM 0 H GLY D 5 1.331 9.940 1.516 1.00 0.00 H new ATOM 0 HA2 GLY D 5 -0.279 8.335 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY D 5 -0.618 10.053 -0.356 1.00 0.00 H new ATOM 3255 N ILE D 6 1.592 8.585 -1.889 1.00 0.00 N ATOM 3256 CA ILE D 6 2.733 8.663 -2.793 1.00 0.00 C ATOM 3257 C ILE D 6 2.555 7.758 -4.008 1.00 0.00 C ATOM 3258 O ILE D 6 1.956 6.687 -3.918 1.00 0.00 O ATOM 3259 CB ILE D 6 4.050 8.287 -2.076 1.00 0.00 C ATOM 3260 CG1 ILE D 6 3.931 6.925 -1.391 1.00 0.00 C ATOM 3261 CG2 ILE D 6 4.442 9.353 -1.065 1.00 0.00 C ATOM 3262 CD1 ILE D 6 3.925 5.755 -2.349 1.00 0.00 C ATOM 0 H ILE D 6 1.007 7.760 -2.019 1.00 0.00 H new ATOM 0 HA ILE D 6 2.788 9.699 -3.128 1.00 0.00 H new ATOM 0 HB ILE D 6 4.833 8.225 -2.832 1.00 0.00 H new ATOM 0 HG12 ILE D 6 4.760 6.806 -0.694 1.00 0.00 H new ATOM 0 HG13 ILE D 6 3.014 6.904 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE D 6 5.372 9.065 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE D 6 4.582 10.305 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE D 6 3.654 9.454 -0.319 1.00 0.00 H new ATOM 0 HD11 ILE D 6 3.838 4.825 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE D 6 3.080 5.847 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE D 6 4.853 5.748 -2.921 1.00 0.00 H new ATOM 3274 N GLN D 7 3.088 8.197 -5.141 1.00 0.00 N ATOM 3275 CA GLN D 7 3.005 7.429 -6.377 1.00 0.00 C ATOM 3276 C GLN D 7 4.341 6.754 -6.672 1.00 0.00 C ATOM 3277 O GLN D 7 5.188 7.313 -7.369 1.00 0.00 O ATOM 3278 CB GLN D 7 2.607 8.336 -7.544 1.00 0.00 C ATOM 3279 CG GLN D 7 2.490 7.606 -8.872 1.00 0.00 C ATOM 3280 CD GLN D 7 2.100 8.528 -10.011 1.00 0.00 C ATOM 3281 OE1 GLN D 7 1.042 9.155 -9.984 1.00 0.00 O ATOM 3282 NE2 GLN D 7 2.958 8.615 -11.022 1.00 0.00 N ATOM 0 H GLN D 7 3.584 9.084 -5.230 1.00 0.00 H new ATOM 0 HA GLN D 7 2.242 6.661 -6.255 1.00 0.00 H new ATOM 0 HB2 GLN D 7 1.653 8.811 -7.315 1.00 0.00 H new ATOM 0 HB3 GLN D 7 3.344 9.133 -7.641 1.00 0.00 H new ATOM 0 HG2 GLN D 7 3.442 7.129 -9.105 1.00 0.00 H new ATOM 0 HG3 GLN D 7 1.749 6.812 -8.782 1.00 0.00 H new ATOM 0 HE21 GLN D 7 3.824 8.077 -11.003 1.00 0.00 H new ATOM 0 HE22 GLN D 7 2.750 9.220 -11.817 1.00 0.00 H new ATOM 3291 N VAL D 8 4.532 5.554 -6.129 1.00 0.00 N ATOM 3292 CA VAL D 8 5.774 4.817 -6.331 1.00 0.00 C ATOM 3293 C VAL D 8 5.905 4.339 -7.775 1.00 0.00 C ATOM 3294 O VAL D 8 4.929 3.919 -8.397 1.00 0.00 O ATOM 3295 CB VAL D 8 5.879 3.603 -5.380 1.00 0.00 C ATOM 3296 CG1 VAL D 8 7.171 2.836 -5.622 1.00 0.00 C ATOM 3297 CG2 VAL D 8 5.784 4.047 -3.930 1.00 0.00 C ATOM 0 H VAL D 8 3.845 5.074 -5.548 1.00 0.00 H new ATOM 0 HA VAL D 8 6.587 5.508 -6.107 1.00 0.00 H new ATOM 0 HB VAL D 8 5.043 2.936 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL D 8 7.223 1.986 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL D 8 7.194 2.478 -6.651 1.00 0.00 H new ATOM 0 HG13 VAL D 8 8.023 3.493 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL D 8 5.860 3.177 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL D 8 6.596 4.740 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL D 8 4.828 4.543 -3.763 1.00 0.00 H new ATOM 3307 N ASP D 9 7.126 4.413 -8.296 1.00 0.00 N ATOM 3308 CA ASP D 9 7.416 3.997 -9.662 1.00 0.00 C ATOM 3309 C ASP D 9 8.923 3.956 -9.888 1.00 0.00 C ATOM 3310 O ASP D 9 9.410 4.283 -10.970 1.00 0.00 O ATOM 3311 CB ASP D 9 6.765 4.956 -10.660 1.00 0.00 C ATOM 3312 CG ASP D 9 7.260 6.380 -10.501 1.00 0.00 C ATOM 3313 OD1 ASP D 9 7.084 6.951 -9.405 1.00 0.00 O ATOM 3314 OD2 ASP D 9 7.824 6.923 -11.474 1.00 0.00 O ATOM 0 H ASP D 9 7.938 4.761 -7.786 1.00 0.00 H new ATOM 0 HA ASP D 9 7.006 2.999 -9.816 1.00 0.00 H new ATOM 0 HB2 ASP D 9 6.970 4.614 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP D 9 5.683 4.934 -10.528 1.00 0.00 H new