USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 46 ASN :FLIP amide:sc= -3.31! C(o=-6.7!,f=-3.7!) USER MOD Set 1.2: B 48 GLN : amide:sc= -0.414 K(o=-3.7,f=-7.1!) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -170:sc= -0.0076 (180deg=-0.149) USER MOD Set 2.2: B 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 69 ASN :FLIP amide:sc= -0.413 F(o=-1.7,f=-0.69) USER MOD Set 3.2: B 30 SER OG : rot -173:sc= -0.273 USER MOD Set 4.1: A 29 LYS NZ :NH3+ -154:sc=-0.000705 (180deg=-0.424) USER MOD Set 4.2: B 24 GLN :FLIP amide:sc= -0.597 F(o=-1.1,f=-0.6) USER MOD Set 5.1: A 24 GLN : amide:sc= 0.601 K(o=0.6,f=-0.096) USER MOD Set 5.2: B 29 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.41) USER MOD Set 6.1: A 16 GLN : amide:sc= -2.87! C(o=-4!,f=-8.2!) USER MOD Set 6.2: A 56 SER OG : rot -160:sc= -1.09 USER MOD Single : A 10 GLN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.93! C(o=-2.9!,f=-4.3!) USER MOD Single : A 25 SER OG : rot 180:sc= -1.2 USER MOD Single : A 30 SER OG : rot 180:sc= -1.16 USER MOD Single : A 34 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-6.1!) USER MOD Single : A 37 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.615 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.75! C(o=-2.7!,f=-2.7!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.81 X(o=-1.8,f=-2.1) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -163:sc= -5.91! (180deg=-8.16!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= -1.38 K(o=-1.4,f=-4.1!) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -2.23! X(o=-2.2!,f=-1.9) USER MOD Single : B 19 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.2) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.1!) USER MOD Single : B 25 SER OG : rot 180:sc= -1.27 USER MOD Single : B 27 LYS NZ :NH3+ 153:sc= -0.118 (180deg=-0.571) USER MOD Single : B 34 HIS : no HD1:sc= -4.14! C(o=-4.1!,f=-4.9!) USER MOD Single : B 37 GLN : amide:sc= 0.155 X(o=0.16,f=-0.28) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ -151:sc= -0.647 (180deg=-2.54!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.0364 X(o=-0.036,f=-0.42) USER MOD Single : B 56 SER OG : rot -176:sc= 0.195 USER MOD Single : B 58 MET CE :methyl 156:sc= -0.397 (180deg=-1.7!) USER MOD Single : B 60 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0116) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -157:sc= -5.03! (180deg=-8.56!) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -4.264 -16.072 -9.821 1.00 0.00 N ATOM 50 CA ARG A 8 -3.508 -16.297 -8.601 1.00 0.00 C ATOM 51 C ARG A 8 -2.992 -14.969 -8.044 1.00 0.00 C ATOM 52 O ARG A 8 -3.675 -13.949 -8.126 1.00 0.00 O ATOM 53 CB ARG A 8 -2.323 -17.232 -8.852 1.00 0.00 C ATOM 54 CG ARG A 8 -2.738 -18.423 -9.718 1.00 0.00 C ATOM 55 CD ARG A 8 -2.454 -19.746 -9.003 1.00 0.00 C ATOM 56 NE ARG A 8 -3.481 -19.991 -7.966 1.00 0.00 N ATOM 57 CZ ARG A 8 -4.732 -20.393 -8.227 1.00 0.00 C ATOM 58 NH1 ARG A 8 -5.119 -20.598 -9.493 1.00 0.00 N ATOM 59 NH2 ARG A 8 -5.596 -20.590 -7.221 1.00 0.00 N ATOM 0 HA ARG A 8 -4.177 -16.763 -7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.520 -16.683 -9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.929 -17.589 -7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.800 -18.353 -9.954 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.199 -18.394 -10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.450 -20.564 -9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.464 -19.717 -8.547 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.220 -19.845 -6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.461 -20.448 -10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.071 -20.904 -9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.301 -20.434 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.549 -20.896 -7.419 1.00 0.00 H new ATOM 73 N CYS A 9 -1.790 -15.024 -7.488 1.00 0.00 N ATOM 74 CA CYS A 9 -1.174 -13.838 -6.918 1.00 0.00 C ATOM 75 C CYS A 9 -0.195 -13.264 -7.943 1.00 0.00 C ATOM 76 O CYS A 9 0.209 -13.956 -8.877 1.00 0.00 O ATOM 77 CB CYS A 9 -0.490 -14.142 -5.583 1.00 0.00 C ATOM 78 SG CYS A 9 -1.594 -14.086 -4.125 1.00 0.00 S ATOM 0 H CYS A 9 -1.227 -15.872 -7.420 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.942 -13.097 -6.697 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.037 -15.132 -5.640 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.320 -13.428 -5.435 1.00 0.00 H new ATOM 83 N GLN A 10 0.159 -12.004 -7.735 1.00 0.00 N ATOM 84 CA GLN A 10 1.084 -11.330 -8.630 1.00 0.00 C ATOM 85 C GLN A 10 2.527 -11.575 -8.186 1.00 0.00 C ATOM 86 O GLN A 10 3.467 -11.114 -8.833 1.00 0.00 O ATOM 87 CB GLN A 10 0.781 -9.832 -8.705 1.00 0.00 C ATOM 88 CG GLN A 10 1.460 -9.194 -9.918 1.00 0.00 C ATOM 89 CD GLN A 10 2.112 -7.861 -9.544 1.00 0.00 C ATOM 90 OE1 GLN A 10 3.283 -7.623 -9.788 1.00 0.00 O ATOM 91 NE2 GLN A 10 1.289 -7.008 -8.941 1.00 0.00 N ATOM 0 H GLN A 10 -0.178 -11.433 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 10 0.957 -11.744 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.296 -9.678 -8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.123 -9.342 -7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.214 -9.873 -10.316 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.726 -9.035 -10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.319 -7.272 -8.767 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.628 -6.090 -8.652 1.00 0.00 H new ATOM 100 N CYS A 11 2.659 -12.302 -7.086 1.00 0.00 N ATOM 101 CA CYS A 11 3.972 -12.614 -6.548 1.00 0.00 C ATOM 102 C CYS A 11 3.962 -14.069 -6.072 1.00 0.00 C ATOM 103 O CYS A 11 3.028 -14.499 -5.397 1.00 0.00 O ATOM 104 CB CYS A 11 4.368 -11.650 -5.428 1.00 0.00 C ATOM 105 SG CYS A 11 5.963 -10.790 -5.685 1.00 0.00 S ATOM 0 H CYS A 11 1.878 -12.684 -6.553 1.00 0.00 H new ATOM 0 HA CYS A 11 4.725 -12.492 -7.326 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.582 -10.903 -5.316 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.417 -12.204 -4.491 1.00 0.00 H new ATOM 110 N LEU A 12 5.013 -14.786 -6.443 1.00 0.00 N ATOM 111 CA LEU A 12 5.137 -16.183 -6.063 1.00 0.00 C ATOM 112 C LEU A 12 6.117 -16.304 -4.895 1.00 0.00 C ATOM 113 O LEU A 12 6.152 -17.326 -4.212 1.00 0.00 O ATOM 114 CB LEU A 12 5.517 -17.036 -7.275 1.00 0.00 C ATOM 115 CG LEU A 12 4.792 -16.706 -8.582 1.00 0.00 C ATOM 116 CD1 LEU A 12 5.679 -17.006 -9.791 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.448 -17.433 -8.662 1.00 0.00 C ATOM 0 H LEU A 12 5.786 -14.426 -7.002 1.00 0.00 H new ATOM 0 HA LEU A 12 4.179 -16.570 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.589 -16.936 -7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.328 -18.082 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 12 4.581 -15.637 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.140 -16.763 -10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.587 -16.406 -9.734 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.943 -18.064 -9.795 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.953 -17.181 -9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.613 -18.509 -8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.818 -17.127 -7.826 1.00 0.00 H new ATOM 129 N GLN A 13 6.890 -15.245 -4.700 1.00 0.00 N ATOM 130 CA GLN A 13 7.868 -15.220 -3.626 1.00 0.00 C ATOM 131 C GLN A 13 7.751 -13.917 -2.833 1.00 0.00 C ATOM 132 O GLN A 13 7.057 -12.991 -3.251 1.00 0.00 O ATOM 133 CB GLN A 13 9.285 -15.405 -4.171 1.00 0.00 C ATOM 134 CG GLN A 13 10.118 -16.291 -3.242 1.00 0.00 C ATOM 135 CD GLN A 13 11.494 -16.578 -3.846 1.00 0.00 C ATOM 136 OE1 GLN A 13 11.702 -17.559 -4.542 1.00 0.00 O ATOM 137 NE2 GLN A 13 12.418 -15.671 -3.543 1.00 0.00 N ATOM 0 H GLN A 13 6.858 -14.398 -5.268 1.00 0.00 H new ATOM 0 HA GLN A 13 7.662 -16.052 -2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.241 -15.853 -5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.766 -14.433 -4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.236 -15.801 -2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.593 -17.229 -3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.176 -14.873 -2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.369 -15.773 -3.899 1.00 0.00 H new ATOM 146 N THR A 14 8.441 -13.886 -1.702 1.00 0.00 N ATOM 147 CA THR A 14 8.424 -12.711 -0.846 1.00 0.00 C ATOM 148 C THR A 14 9.706 -12.638 -0.015 1.00 0.00 C ATOM 149 O THR A 14 10.440 -13.620 0.088 1.00 0.00 O ATOM 150 CB THR A 14 7.151 -12.763 0.002 1.00 0.00 C ATOM 151 OG1 THR A 14 6.993 -14.146 0.307 1.00 0.00 O ATOM 152 CG2 THR A 14 5.897 -12.413 -0.801 1.00 0.00 C ATOM 0 H THR A 14 9.015 -14.656 -1.358 1.00 0.00 H new ATOM 0 HA THR A 14 8.403 -11.793 -1.434 1.00 0.00 H new ATOM 0 HB THR A 14 7.247 -12.075 0.842 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.191 -14.270 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.023 -12.465 -0.152 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.992 -11.404 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.782 -13.120 -1.622 1.00 0.00 H new ATOM 160 N LEU A 15 9.937 -11.465 0.556 1.00 0.00 N ATOM 161 CA LEU A 15 11.118 -11.251 1.375 1.00 0.00 C ATOM 162 C LEU A 15 10.762 -11.479 2.845 1.00 0.00 C ATOM 163 O LEU A 15 9.606 -11.744 3.174 1.00 0.00 O ATOM 164 CB LEU A 15 11.721 -9.873 1.095 1.00 0.00 C ATOM 165 CG LEU A 15 12.377 -9.694 -0.276 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.320 -8.233 -0.725 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.808 -10.237 -0.274 1.00 0.00 C ATOM 0 H LEU A 15 9.326 -10.653 0.468 1.00 0.00 H new ATOM 0 HA LEU A 15 11.895 -11.972 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.934 -9.126 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.466 -9.661 1.862 1.00 0.00 H new ATOM 0 HG LEU A 15 11.812 -10.277 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.793 -8.134 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.280 -7.913 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.846 -7.609 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.251 -10.098 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.399 -9.702 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.794 -11.299 -0.029 1.00 0.00 H new ATOM 179 N GLN A 16 11.775 -11.366 3.691 1.00 0.00 N ATOM 180 CA GLN A 16 11.584 -11.557 5.119 1.00 0.00 C ATOM 181 C GLN A 16 11.793 -10.237 5.863 1.00 0.00 C ATOM 182 O GLN A 16 11.452 -10.123 7.039 1.00 0.00 O ATOM 183 CB GLN A 16 12.517 -12.644 5.657 1.00 0.00 C ATOM 184 CG GLN A 16 12.652 -12.546 7.178 1.00 0.00 C ATOM 185 CD GLN A 16 11.286 -12.652 7.858 1.00 0.00 C ATOM 186 OE1 GLN A 16 10.276 -12.944 7.238 1.00 0.00 O ATOM 187 NE2 GLN A 16 11.310 -12.400 9.163 1.00 0.00 N ATOM 0 H GLN A 16 12.732 -11.144 3.415 1.00 0.00 H new ATOM 0 HA GLN A 16 10.559 -11.889 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.132 -13.627 5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.499 -12.547 5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.305 -13.340 7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.122 -11.600 7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.190 -12.161 9.620 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.448 -12.445 9.707 1.00 0.00 H new ATOM 196 N GLY A 17 12.352 -9.273 5.147 1.00 0.00 N ATOM 197 CA GLY A 17 12.610 -7.965 5.725 1.00 0.00 C ATOM 198 C GLY A 17 13.811 -7.295 5.053 1.00 0.00 C ATOM 199 O GLY A 17 14.957 -7.595 5.381 1.00 0.00 O ATOM 0 H GLY A 17 12.634 -9.371 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.728 -7.334 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.797 -8.066 6.794 1.00 0.00 H new ATOM 203 N ILE A 18 13.505 -6.402 4.123 1.00 0.00 N ATOM 204 CA ILE A 18 14.545 -5.688 3.401 1.00 0.00 C ATOM 205 C ILE A 18 14.733 -4.303 4.024 1.00 0.00 C ATOM 206 O ILE A 18 13.830 -3.786 4.681 1.00 0.00 O ATOM 207 CB ILE A 18 14.230 -5.651 1.905 1.00 0.00 C ATOM 208 CG1 ILE A 18 14.656 -6.952 1.222 1.00 0.00 C ATOM 209 CG2 ILE A 18 14.858 -4.424 1.242 1.00 0.00 C ATOM 210 CD1 ILE A 18 16.149 -7.216 1.429 1.00 0.00 C ATOM 0 H ILE A 18 12.553 -6.157 3.853 1.00 0.00 H new ATOM 0 HA ILE A 18 15.498 -6.210 3.490 1.00 0.00 H new ATOM 0 HB ILE A 18 13.150 -5.564 1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.077 -7.784 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.437 -6.896 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.618 -4.422 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.464 -3.519 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.940 -4.455 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.426 -8.147 0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.726 -6.394 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.360 -7.296 2.495 1.00 0.00 H new ATOM 222 N HIS A 19 15.911 -3.742 3.797 1.00 0.00 N ATOM 223 CA HIS A 19 16.229 -2.427 4.327 1.00 0.00 C ATOM 224 C HIS A 19 15.202 -1.410 3.827 1.00 0.00 C ATOM 225 O HIS A 19 14.789 -1.456 2.669 1.00 0.00 O ATOM 226 CB HIS A 19 17.668 -2.036 3.983 1.00 0.00 C ATOM 227 CG HIS A 19 18.429 -1.422 5.134 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.606 -1.960 5.625 1.00 0.00 N ATOM 229 CD2 HIS A 19 18.171 -0.312 5.883 1.00 0.00 C ATOM 230 CE1 HIS A 19 20.027 -1.200 6.626 1.00 0.00 C ATOM 231 NE2 HIS A 19 19.136 -0.180 6.784 1.00 0.00 N ATOM 0 H HIS A 19 16.658 -4.174 3.253 1.00 0.00 H new ATOM 0 HA HIS A 19 16.170 -2.445 5.415 1.00 0.00 H new ATOM 0 HB2 HIS A 19 18.202 -2.922 3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.653 -1.330 3.153 1.00 0.00 H new ATOM 0 HD2 HIS A 19 17.325 0.348 5.763 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.919 -1.360 7.213 1.00 0.00 H new ATOM 0 HE2 HIS A 19 19.201 0.562 7.480 1.00 0.00 H new ATOM 239 N LEU A 20 14.818 -0.514 4.725 1.00 0.00 N ATOM 240 CA LEU A 20 13.847 0.513 4.390 1.00 0.00 C ATOM 241 C LEU A 20 14.573 1.718 3.787 1.00 0.00 C ATOM 242 O LEU A 20 13.986 2.788 3.636 1.00 0.00 O ATOM 243 CB LEU A 20 12.990 0.859 5.609 1.00 0.00 C ATOM 244 CG LEU A 20 12.090 2.089 5.470 1.00 0.00 C ATOM 245 CD1 LEU A 20 11.270 2.025 4.180 1.00 0.00 C ATOM 246 CD2 LEU A 20 11.204 2.262 6.705 1.00 0.00 C ATOM 0 H LEU A 20 15.162 -0.478 5.684 1.00 0.00 H new ATOM 0 HA LEU A 20 13.152 0.147 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.362 -0.001 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.652 1.012 6.462 1.00 0.00 H new ATOM 0 HG LEU A 20 12.726 2.972 5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.639 2.911 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.942 1.985 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.643 1.133 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.574 3.143 6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.575 1.381 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.831 2.386 7.588 1.00 0.00 H new ATOM 258 N LYS A 21 15.838 1.502 3.458 1.00 0.00 N ATOM 259 CA LYS A 21 16.650 2.557 2.875 1.00 0.00 C ATOM 260 C LYS A 21 16.551 2.487 1.350 1.00 0.00 C ATOM 261 O LYS A 21 16.827 3.467 0.661 1.00 0.00 O ATOM 262 CB LYS A 21 18.084 2.482 3.403 1.00 0.00 C ATOM 263 CG LYS A 21 19.062 3.136 2.425 1.00 0.00 C ATOM 264 CD LYS A 21 18.859 4.652 2.376 1.00 0.00 C ATOM 265 CE LYS A 21 20.199 5.382 2.270 1.00 0.00 C ATOM 266 NZ LYS A 21 20.257 6.182 1.027 1.00 0.00 N ATOM 0 H LYS A 21 16.321 0.612 3.584 1.00 0.00 H new ATOM 0 HA LYS A 21 16.276 3.536 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.145 2.979 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.363 1.440 3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.086 2.912 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.922 2.715 1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.231 4.911 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.332 4.981 3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.335 6.032 3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.015 4.660 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 21.173 6.671 0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.149 5.554 0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.490 6.884 1.030 1.00 0.00 H new ATOM 280 N ASN A 22 16.155 1.318 0.868 1.00 0.00 N ATOM 281 CA ASN A 22 16.016 1.107 -0.563 1.00 0.00 C ATOM 282 C ASN A 22 14.552 1.296 -0.962 1.00 0.00 C ATOM 283 O ASN A 22 14.258 1.917 -1.983 1.00 0.00 O ATOM 284 CB ASN A 22 16.433 -0.313 -0.953 1.00 0.00 C ATOM 285 CG ASN A 22 17.853 -0.331 -1.521 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.165 0.318 -2.505 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.695 -1.109 -0.846 1.00 0.00 N ATOM 0 H ASN A 22 15.926 0.507 1.443 1.00 0.00 H new ATOM 0 HA ASN A 22 16.658 1.825 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.378 -0.964 -0.081 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.737 -0.710 -1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.667 -1.188 -1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.369 -1.626 -0.030 1.00 0.00 H new ATOM 294 N ILE A 23 13.671 0.750 -0.136 1.00 0.00 N ATOM 295 CA ILE A 23 12.244 0.851 -0.390 1.00 0.00 C ATOM 296 C ILE A 23 11.860 2.325 -0.541 1.00 0.00 C ATOM 297 O ILE A 23 12.214 3.151 0.298 1.00 0.00 O ATOM 298 CB ILE A 23 11.453 0.118 0.695 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.315 -1.369 0.362 1.00 0.00 C ATOM 300 CG2 ILE A 23 10.094 0.782 0.926 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.605 -2.234 1.590 1.00 0.00 C ATOM 0 H ILE A 23 13.918 0.236 0.710 1.00 0.00 H new ATOM 0 HA ILE A 23 11.988 0.357 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 23 12.009 0.189 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.307 -1.572 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.002 -1.631 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.552 0.241 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.243 1.815 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.518 0.763 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.500 -3.286 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.622 -2.046 1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.900 -1.987 2.384 1.00 0.00 H new ATOM 313 N GLN A 24 11.142 2.609 -1.618 1.00 0.00 N ATOM 314 CA GLN A 24 10.707 3.969 -1.889 1.00 0.00 C ATOM 315 C GLN A 24 9.183 4.068 -1.789 1.00 0.00 C ATOM 316 O GLN A 24 8.641 5.152 -1.578 1.00 0.00 O ATOM 317 CB GLN A 24 11.197 4.438 -3.261 1.00 0.00 C ATOM 318 CG GLN A 24 11.695 5.883 -3.200 1.00 0.00 C ATOM 319 CD GLN A 24 10.754 6.819 -3.962 1.00 0.00 C ATOM 320 OE1 GLN A 24 11.119 7.442 -4.945 1.00 0.00 O ATOM 321 NE2 GLN A 24 9.526 6.883 -3.454 1.00 0.00 N ATOM 0 H GLN A 24 10.851 1.921 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 24 11.145 4.627 -1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.000 3.787 -3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.388 4.359 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.769 6.203 -2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.697 5.944 -3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.287 6.335 -2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.824 7.481 -3.891 1.00 0.00 H new ATOM 330 N SER A 25 8.536 2.923 -1.944 1.00 0.00 N ATOM 331 CA SER A 25 7.085 2.868 -1.874 1.00 0.00 C ATOM 332 C SER A 25 6.636 1.478 -1.419 1.00 0.00 C ATOM 333 O SER A 25 7.414 0.526 -1.461 1.00 0.00 O ATOM 334 CB SER A 25 6.455 3.214 -3.224 1.00 0.00 C ATOM 335 OG SER A 25 7.431 3.604 -4.185 1.00 0.00 O ATOM 0 H SER A 25 8.989 2.026 -2.118 1.00 0.00 H new ATOM 0 HA SER A 25 6.749 3.608 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.903 2.352 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.734 4.021 -3.091 1.00 0.00 H new ATOM 0 HG SER A 25 6.988 3.815 -5.034 1.00 0.00 H new ATOM 341 N VAL A 26 5.383 1.405 -0.995 1.00 0.00 N ATOM 342 CA VAL A 26 4.821 0.147 -0.532 1.00 0.00 C ATOM 343 C VAL A 26 3.508 -0.121 -1.269 1.00 0.00 C ATOM 344 O VAL A 26 2.665 0.768 -1.386 1.00 0.00 O ATOM 345 CB VAL A 26 4.659 0.174 0.989 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.722 -0.940 1.460 1.00 0.00 C ATOM 347 CG2 VAL A 26 6.017 0.081 1.687 1.00 0.00 C ATOM 0 H VAL A 26 4.741 2.197 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 26 5.495 -0.679 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 26 4.208 1.128 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.624 -0.899 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.742 -0.809 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.132 -1.907 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.873 0.102 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.508 -0.850 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.639 0.925 1.387 1.00 0.00 H new ATOM 357 N LYS A 27 3.374 -1.350 -1.747 1.00 0.00 N ATOM 358 CA LYS A 27 2.177 -1.746 -2.469 1.00 0.00 C ATOM 359 C LYS A 27 1.548 -2.958 -1.779 1.00 0.00 C ATOM 360 O LYS A 27 2.204 -3.983 -1.598 1.00 0.00 O ATOM 361 CB LYS A 27 2.495 -1.976 -3.948 1.00 0.00 C ATOM 362 CG LYS A 27 1.262 -1.728 -4.819 1.00 0.00 C ATOM 363 CD LYS A 27 0.078 -2.574 -4.347 1.00 0.00 C ATOM 364 CE LYS A 27 -0.805 -2.987 -5.526 1.00 0.00 C ATOM 365 NZ LYS A 27 -1.377 -1.793 -6.188 1.00 0.00 N ATOM 0 H LYS A 27 4.075 -2.084 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 27 1.436 -0.947 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.303 -1.313 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.848 -2.997 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.995 -0.672 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.492 -1.966 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.444 -3.463 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.513 -2.009 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.219 -3.562 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.608 -3.636 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.102 -2.089 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.809 -1.173 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.623 -1.276 -6.684 1.00 0.00 H new ATOM 379 N VAL A 28 0.285 -2.801 -1.413 1.00 0.00 N ATOM 380 CA VAL A 28 -0.440 -3.870 -0.748 1.00 0.00 C ATOM 381 C VAL A 28 -1.600 -4.325 -1.636 1.00 0.00 C ATOM 382 O VAL A 28 -2.486 -3.535 -1.958 1.00 0.00 O ATOM 383 CB VAL A 28 -0.893 -3.411 0.639 1.00 0.00 C ATOM 384 CG1 VAL A 28 -2.125 -4.192 1.100 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.244 -3.530 1.656 1.00 0.00 C ATOM 0 H VAL A 28 -0.255 -1.949 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 28 0.208 -4.733 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.170 -2.359 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.426 -3.846 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.941 -4.033 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.886 -5.255 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.106 -3.197 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.567 -4.569 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.082 -2.909 1.339 1.00 0.00 H new ATOM 395 N LYS A 29 -1.557 -5.596 -2.007 1.00 0.00 N ATOM 396 CA LYS A 29 -2.593 -6.164 -2.851 1.00 0.00 C ATOM 397 C LYS A 29 -3.276 -7.315 -2.109 1.00 0.00 C ATOM 398 O LYS A 29 -2.858 -8.466 -2.220 1.00 0.00 O ATOM 399 CB LYS A 29 -2.017 -6.567 -4.210 1.00 0.00 C ATOM 400 CG LYS A 29 -3.125 -6.710 -5.256 1.00 0.00 C ATOM 401 CD LYS A 29 -3.737 -8.111 -5.217 1.00 0.00 C ATOM 402 CE LYS A 29 -3.837 -8.705 -6.623 1.00 0.00 C ATOM 403 NZ LYS A 29 -4.602 -7.804 -7.513 1.00 0.00 N ATOM 0 H LYS A 29 -0.820 -6.248 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.360 -5.420 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.296 -5.819 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.478 -7.510 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.900 -5.965 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.720 -6.513 -6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.129 -8.760 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.728 -8.066 -4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.838 -8.864 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.322 -9.680 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.037 -8.359 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.346 -7.326 -6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.962 -7.094 -7.921 1.00 0.00 H new ATOM 417 N SER A 30 -4.317 -6.963 -1.367 1.00 0.00 N ATOM 418 CA SER A 30 -5.062 -7.951 -0.606 1.00 0.00 C ATOM 419 C SER A 30 -5.498 -9.096 -1.522 1.00 0.00 C ATOM 420 O SER A 30 -5.346 -9.015 -2.740 1.00 0.00 O ATOM 421 CB SER A 30 -6.280 -7.321 0.072 1.00 0.00 C ATOM 422 OG SER A 30 -7.502 -7.889 -0.390 1.00 0.00 O ATOM 0 H SER A 30 -4.661 -6.007 -1.277 1.00 0.00 H new ATOM 0 HA SER A 30 -4.410 -8.345 0.173 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.203 -7.454 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.285 -6.248 -0.117 1.00 0.00 H new ATOM 0 HG SER A 30 -8.255 -7.461 0.068 1.00 0.00 H new ATOM 428 N PRO A 31 -6.048 -10.165 -0.885 1.00 0.00 N ATOM 429 CA PRO A 31 -6.507 -11.325 -1.629 1.00 0.00 C ATOM 430 C PRO A 31 -7.827 -11.030 -2.344 1.00 0.00 C ATOM 431 O PRO A 31 -8.523 -10.076 -2.001 1.00 0.00 O ATOM 432 CB PRO A 31 -6.627 -12.433 -0.595 1.00 0.00 C ATOM 433 CG PRO A 31 -6.679 -11.739 0.756 1.00 0.00 C ATOM 434 CD PRO A 31 -6.244 -10.296 0.556 1.00 0.00 C ATOM 0 HA PRO A 31 -5.820 -11.613 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.525 -13.028 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.778 -13.114 -0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.687 -11.780 1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.023 -12.240 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.001 -9.600 0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.326 -10.080 1.102 1.00 0.00 H new ATOM 442 N GLY A 32 -8.131 -11.867 -3.326 1.00 0.00 N ATOM 443 CA GLY A 32 -9.355 -11.707 -4.093 1.00 0.00 C ATOM 444 C GLY A 32 -10.067 -13.049 -4.274 1.00 0.00 C ATOM 445 O GLY A 32 -9.829 -13.990 -3.517 1.00 0.00 O ATOM 0 H GLY A 32 -7.551 -12.657 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.017 -11.005 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.124 -11.279 -5.069 1.00 0.00 H new ATOM 449 N PRO A 33 -10.949 -13.097 -5.308 1.00 0.00 N ATOM 450 CA PRO A 33 -11.697 -14.308 -5.598 1.00 0.00 C ATOM 451 C PRO A 33 -10.805 -15.357 -6.265 1.00 0.00 C ATOM 452 O PRO A 33 -11.270 -16.441 -6.614 1.00 0.00 O ATOM 453 CB PRO A 33 -12.848 -13.857 -6.483 1.00 0.00 C ATOM 454 CG PRO A 33 -12.442 -12.500 -7.035 1.00 0.00 C ATOM 455 CD PRO A 33 -11.256 -12.003 -6.225 1.00 0.00 C ATOM 0 HA PRO A 33 -12.072 -14.797 -4.699 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -13.024 -14.570 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.774 -13.786 -5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.177 -12.580 -8.089 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.272 -11.797 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.406 -11.774 -6.867 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.501 -11.089 -5.683 1.00 0.00 H new ATOM 463 N HIS A 34 -9.540 -14.998 -6.423 1.00 0.00 N ATOM 464 CA HIS A 34 -8.579 -15.894 -7.042 1.00 0.00 C ATOM 465 C HIS A 34 -7.500 -16.272 -6.025 1.00 0.00 C ATOM 466 O HIS A 34 -7.257 -17.453 -5.781 1.00 0.00 O ATOM 467 CB HIS A 34 -8.001 -15.275 -8.316 1.00 0.00 C ATOM 468 CG HIS A 34 -7.871 -13.772 -8.265 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.964 -12.928 -8.158 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.768 -12.970 -8.306 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.526 -11.678 -8.137 1.00 0.00 C ATOM 472 NE2 HIS A 34 -7.165 -11.706 -8.229 1.00 0.00 N ATOM 0 H HIS A 34 -9.158 -14.098 -6.133 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.079 -16.813 -7.348 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.019 -15.708 -8.504 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.636 -15.546 -9.160 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.745 -13.307 -8.387 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.139 -10.792 -8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.553 -10.890 -8.237 1.00 0.00 H new ATOM 480 N CYS A 35 -6.882 -15.246 -5.458 1.00 0.00 N ATOM 481 CA CYS A 35 -5.834 -15.456 -4.472 1.00 0.00 C ATOM 482 C CYS A 35 -6.411 -15.154 -3.087 1.00 0.00 C ATOM 483 O CYS A 35 -6.912 -14.057 -2.845 1.00 0.00 O ATOM 484 CB CYS A 35 -4.597 -14.608 -4.773 1.00 0.00 C ATOM 485 SG CYS A 35 -3.011 -15.519 -4.719 1.00 0.00 S ATOM 0 H CYS A 35 -7.086 -14.268 -5.662 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.500 -16.493 -4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.711 -14.163 -5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.553 -13.787 -4.057 1.00 0.00 H new ATOM 490 N ALA A 36 -6.320 -16.146 -2.215 1.00 0.00 N ATOM 491 CA ALA A 36 -6.827 -16.001 -0.860 1.00 0.00 C ATOM 492 C ALA A 36 -5.668 -15.656 0.078 1.00 0.00 C ATOM 493 O ALA A 36 -5.739 -15.915 1.278 1.00 0.00 O ATOM 494 CB ALA A 36 -7.551 -17.283 -0.445 1.00 0.00 C ATOM 0 H ALA A 36 -5.903 -17.054 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.550 -15.187 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.931 -17.174 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.382 -17.468 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.856 -18.122 -0.484 1.00 0.00 H new ATOM 500 N GLN A 37 -4.629 -15.076 -0.505 1.00 0.00 N ATOM 501 CA GLN A 37 -3.457 -14.693 0.264 1.00 0.00 C ATOM 502 C GLN A 37 -3.069 -13.246 -0.046 1.00 0.00 C ATOM 503 O GLN A 37 -3.444 -12.708 -1.087 1.00 0.00 O ATOM 504 CB GLN A 37 -2.290 -15.644 -0.005 1.00 0.00 C ATOM 505 CG GLN A 37 -2.747 -17.103 0.046 1.00 0.00 C ATOM 506 CD GLN A 37 -1.809 -18.001 -0.763 1.00 0.00 C ATOM 507 OE1 GLN A 37 -0.604 -18.015 -0.573 1.00 0.00 O ATOM 508 NE2 GLN A 37 -2.427 -18.747 -1.674 1.00 0.00 N ATOM 0 H GLN A 37 -4.574 -14.862 -1.501 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.702 -14.764 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.859 -15.428 -0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.505 -15.479 0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.777 -17.442 1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.761 -17.184 -0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.440 -18.687 -1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.888 -19.380 -2.266 1.00 0.00 H new ATOM 517 N THR A 38 -2.323 -12.656 0.877 1.00 0.00 N ATOM 518 CA THR A 38 -1.879 -11.282 0.715 1.00 0.00 C ATOM 519 C THR A 38 -0.649 -11.222 -0.192 1.00 0.00 C ATOM 520 O THR A 38 0.062 -12.214 -0.347 1.00 0.00 O ATOM 521 CB THR A 38 -1.637 -10.697 2.108 1.00 0.00 C ATOM 522 OG1 THR A 38 -2.765 -11.125 2.866 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.734 -9.170 2.126 1.00 0.00 C ATOM 0 H THR A 38 -2.015 -13.105 1.740 1.00 0.00 H new ATOM 0 HA THR A 38 -2.638 -10.676 0.219 1.00 0.00 H new ATOM 0 HB THR A 38 -0.653 -11.003 2.464 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.688 -10.791 3.784 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.554 -8.806 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.988 -8.750 1.451 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.729 -8.865 1.802 1.00 0.00 H new ATOM 531 N GLU A 39 -0.434 -10.048 -0.768 1.00 0.00 N ATOM 532 CA GLU A 39 0.698 -9.846 -1.655 1.00 0.00 C ATOM 533 C GLU A 39 1.241 -8.423 -1.507 1.00 0.00 C ATOM 534 O GLU A 39 0.735 -7.493 -2.134 1.00 0.00 O ATOM 535 CB GLU A 39 0.316 -10.138 -3.108 1.00 0.00 C ATOM 536 CG GLU A 39 1.561 -10.260 -3.989 1.00 0.00 C ATOM 537 CD GLU A 39 1.320 -9.638 -5.366 1.00 0.00 C ATOM 538 OE1 GLU A 39 0.184 -9.788 -5.866 1.00 0.00 O ATOM 539 OE2 GLU A 39 2.278 -9.028 -5.888 1.00 0.00 O ATOM 0 H GLU A 39 -1.025 -9.227 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 39 1.485 -10.546 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.261 -11.062 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.325 -9.342 -3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.403 -9.766 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.830 -11.310 -4.102 1.00 0.00 H new ATOM 546 N VAL A 40 2.263 -8.297 -0.674 1.00 0.00 N ATOM 547 CA VAL A 40 2.880 -7.003 -0.436 1.00 0.00 C ATOM 548 C VAL A 40 4.013 -6.790 -1.442 1.00 0.00 C ATOM 549 O VAL A 40 4.908 -7.627 -1.560 1.00 0.00 O ATOM 550 CB VAL A 40 3.345 -6.905 1.018 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.999 -5.550 1.294 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.185 -7.161 1.983 1.00 0.00 C ATOM 0 H VAL A 40 2.680 -9.070 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 40 2.157 -6.201 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 40 4.095 -7.679 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.321 -5.506 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.863 -5.423 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.280 -4.753 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.543 -7.085 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.403 -6.421 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.783 -8.159 1.811 1.00 0.00 H new ATOM 562 N ILE A 41 3.939 -5.667 -2.140 1.00 0.00 N ATOM 563 CA ILE A 41 4.947 -5.334 -3.131 1.00 0.00 C ATOM 564 C ILE A 41 5.479 -3.925 -2.858 1.00 0.00 C ATOM 565 O ILE A 41 4.771 -2.940 -3.061 1.00 0.00 O ATOM 566 CB ILE A 41 4.390 -5.517 -4.545 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.592 -6.818 -4.655 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.507 -5.440 -5.588 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.094 -6.532 -4.779 1.00 0.00 C ATOM 0 H ILE A 41 3.196 -4.976 -2.039 1.00 0.00 H new ATOM 0 HA ILE A 41 5.794 -6.016 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 41 3.701 -4.698 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.931 -7.385 -5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.776 -7.438 -3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.085 -5.573 -6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.995 -4.467 -5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.239 -6.225 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.549 -7.473 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.754 -5.986 -3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.911 -5.933 -5.671 1.00 0.00 H new ATOM 581 N ALA A 42 6.722 -3.875 -2.401 1.00 0.00 N ATOM 582 CA ALA A 42 7.357 -2.604 -2.098 1.00 0.00 C ATOM 583 C ALA A 42 8.230 -2.180 -3.280 1.00 0.00 C ATOM 584 O ALA A 42 8.952 -2.998 -3.848 1.00 0.00 O ATOM 585 CB ALA A 42 8.155 -2.729 -0.799 1.00 0.00 C ATOM 0 H ALA A 42 7.306 -4.694 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 42 6.608 -1.827 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.632 -1.775 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.484 -3.003 0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.919 -3.498 -0.914 1.00 0.00 H new ATOM 591 N THR A 43 8.135 -0.902 -3.617 1.00 0.00 N ATOM 592 CA THR A 43 8.907 -0.359 -4.722 1.00 0.00 C ATOM 593 C THR A 43 10.291 0.081 -4.240 1.00 0.00 C ATOM 594 O THR A 43 10.430 0.603 -3.135 1.00 0.00 O ATOM 595 CB THR A 43 8.096 0.773 -5.355 1.00 0.00 C ATOM 596 OG1 THR A 43 7.041 0.103 -6.039 1.00 0.00 O ATOM 597 CG2 THR A 43 8.863 1.492 -6.466 1.00 0.00 C ATOM 0 H THR A 43 7.535 -0.226 -3.144 1.00 0.00 H new ATOM 0 HA THR A 43 9.088 -1.115 -5.486 1.00 0.00 H new ATOM 0 HB THR A 43 7.813 1.492 -4.586 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.464 0.763 -6.478 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.242 2.286 -6.881 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.777 1.922 -6.057 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.117 0.781 -7.252 1.00 0.00 H new ATOM 605 N LEU A 44 11.279 -0.146 -5.092 1.00 0.00 N ATOM 606 CA LEU A 44 12.647 0.220 -4.767 1.00 0.00 C ATOM 607 C LEU A 44 12.921 1.642 -5.262 1.00 0.00 C ATOM 608 O LEU A 44 12.331 2.085 -6.247 1.00 0.00 O ATOM 609 CB LEU A 44 13.626 -0.821 -5.315 1.00 0.00 C ATOM 610 CG LEU A 44 14.692 -1.319 -4.337 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.314 -2.629 -4.825 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.748 -0.243 -4.083 1.00 0.00 C ATOM 0 H LEU A 44 11.160 -0.579 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 44 12.794 0.223 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.054 -1.680 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.129 -0.396 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 44 14.209 -1.528 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.068 -2.961 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.538 -3.389 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.779 -2.471 -5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.494 -0.623 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.232 0.021 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.272 0.641 -3.660 1.00 0.00 H new ATOM 624 N LYS A 45 13.816 2.318 -4.556 1.00 0.00 N ATOM 625 CA LYS A 45 14.175 3.680 -4.912 1.00 0.00 C ATOM 626 C LYS A 45 15.051 3.661 -6.166 1.00 0.00 C ATOM 627 O LYS A 45 15.410 4.714 -6.693 1.00 0.00 O ATOM 628 CB LYS A 45 14.820 4.392 -3.721 1.00 0.00 C ATOM 629 CG LYS A 45 15.054 5.872 -4.028 1.00 0.00 C ATOM 630 CD LYS A 45 16.482 6.111 -4.525 1.00 0.00 C ATOM 631 CE LYS A 45 17.351 6.719 -3.422 1.00 0.00 C ATOM 632 NZ LYS A 45 17.832 8.060 -3.822 1.00 0.00 N ATOM 0 H LYS A 45 14.303 1.948 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 45 13.284 4.258 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.179 4.296 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.768 3.913 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.342 6.207 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.873 6.466 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.917 5.169 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.464 6.777 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.778 6.792 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.201 6.067 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.420 8.459 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.396 7.981 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.018 8.684 -3.993 1.00 0.00 H new ATOM 646 N ASN A 46 15.371 2.454 -6.607 1.00 0.00 N ATOM 647 CA ASN A 46 16.199 2.284 -7.790 1.00 0.00 C ATOM 648 C ASN A 46 15.305 1.973 -8.992 1.00 0.00 C ATOM 649 O ASN A 46 15.774 1.950 -10.129 1.00 0.00 O ATOM 650 CB ASN A 46 17.178 1.122 -7.614 1.00 0.00 C ATOM 651 CG ASN A 46 17.318 0.322 -8.911 1.00 0.00 C ATOM 652 OD1 ASN A 46 17.804 0.806 -9.920 1.00 0.00 O ATOM 653 ND2 ASN A 46 16.865 -0.926 -8.828 1.00 0.00 N ATOM 0 H ASN A 46 15.072 1.584 -6.167 1.00 0.00 H new ATOM 0 HA ASN A 46 16.759 3.206 -7.946 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.153 1.505 -7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.831 0.467 -6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.913 -1.541 -9.640 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.470 -1.268 -7.952 1.00 0.00 H new ATOM 660 N GLY A 47 14.034 1.740 -8.699 1.00 0.00 N ATOM 661 CA GLY A 47 13.071 1.431 -9.742 1.00 0.00 C ATOM 662 C GLY A 47 12.646 -0.038 -9.679 1.00 0.00 C ATOM 663 O GLY A 47 11.724 -0.452 -10.379 1.00 0.00 O ATOM 0 H GLY A 47 13.649 1.759 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.196 2.071 -9.635 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.506 1.646 -10.718 1.00 0.00 H new ATOM 667 N GLN A 48 13.340 -0.785 -8.832 1.00 0.00 N ATOM 668 CA GLN A 48 13.046 -2.198 -8.668 1.00 0.00 C ATOM 669 C GLN A 48 11.910 -2.391 -7.662 1.00 0.00 C ATOM 670 O GLN A 48 11.298 -1.421 -7.218 1.00 0.00 O ATOM 671 CB GLN A 48 14.295 -2.971 -8.238 1.00 0.00 C ATOM 672 CG GLN A 48 15.094 -3.442 -9.455 1.00 0.00 C ATOM 673 CD GLN A 48 16.376 -4.158 -9.026 1.00 0.00 C ATOM 674 OE1 GLN A 48 16.756 -4.164 -7.867 1.00 0.00 O ATOM 675 NE2 GLN A 48 17.020 -4.758 -10.023 1.00 0.00 N ATOM 0 H GLN A 48 14.104 -0.438 -8.253 1.00 0.00 H new ATOM 0 HA GLN A 48 12.725 -2.596 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.921 -2.337 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.005 -3.831 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.483 -4.113 -10.058 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.344 -2.587 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.646 -4.714 -10.971 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.887 -5.262 -9.840 1.00 0.00 H new ATOM 684 N LYS A 49 11.661 -3.650 -7.332 1.00 0.00 N ATOM 685 CA LYS A 49 10.609 -3.982 -6.386 1.00 0.00 C ATOM 686 C LYS A 49 11.032 -5.202 -5.566 1.00 0.00 C ATOM 687 O LYS A 49 11.699 -6.099 -6.080 1.00 0.00 O ATOM 688 CB LYS A 49 9.274 -4.162 -7.112 1.00 0.00 C ATOM 689 CG LYS A 49 8.935 -2.928 -7.950 1.00 0.00 C ATOM 690 CD LYS A 49 7.579 -3.089 -8.640 1.00 0.00 C ATOM 691 CE LYS A 49 6.906 -1.731 -8.850 1.00 0.00 C ATOM 692 NZ LYS A 49 5.611 -1.896 -9.549 1.00 0.00 N ATOM 0 H LYS A 49 12.170 -4.452 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 49 10.456 -3.163 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.321 -5.041 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.482 -4.341 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.920 -2.044 -7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.711 -2.768 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.713 -3.585 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.934 -3.729 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.747 -1.245 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.560 -1.081 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.168 -0.965 -9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.771 -2.340 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.984 -2.499 -8.980 1.00 0.00 H new ATOM 706 N ALA A 50 10.628 -5.197 -4.305 1.00 0.00 N ATOM 707 CA ALA A 50 10.957 -6.292 -3.408 1.00 0.00 C ATOM 708 C ALA A 50 9.690 -6.752 -2.685 1.00 0.00 C ATOM 709 O ALA A 50 9.151 -6.029 -1.848 1.00 0.00 O ATOM 710 CB ALA A 50 12.053 -5.846 -2.438 1.00 0.00 C ATOM 0 H ALA A 50 10.075 -4.451 -3.882 1.00 0.00 H new ATOM 0 HA ALA A 50 11.344 -7.143 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.300 -6.667 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.941 -5.558 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.700 -4.994 -1.857 1.00 0.00 H new ATOM 716 N CYS A 51 9.250 -7.952 -3.034 1.00 0.00 N ATOM 717 CA CYS A 51 8.056 -8.517 -2.428 1.00 0.00 C ATOM 718 C CYS A 51 8.371 -8.854 -0.970 1.00 0.00 C ATOM 719 O CYS A 51 9.445 -9.372 -0.666 1.00 0.00 O ATOM 720 CB CYS A 51 7.554 -9.738 -3.201 1.00 0.00 C ATOM 721 SG CYS A 51 6.103 -9.426 -4.272 1.00 0.00 S ATOM 0 H CYS A 51 9.699 -8.549 -3.729 1.00 0.00 H new ATOM 0 HA CYS A 51 7.246 -7.788 -2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.368 -10.120 -3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.300 -10.522 -2.488 1.00 0.00 H new ATOM 726 N LEU A 52 7.415 -8.547 -0.105 1.00 0.00 N ATOM 727 CA LEU A 52 7.577 -8.812 1.314 1.00 0.00 C ATOM 728 C LEU A 52 6.594 -9.904 1.741 1.00 0.00 C ATOM 729 O LEU A 52 5.660 -10.225 1.007 1.00 0.00 O ATOM 730 CB LEU A 52 7.444 -7.517 2.119 1.00 0.00 C ATOM 731 CG LEU A 52 8.414 -6.394 1.746 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.896 -5.039 2.234 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.822 -6.690 2.266 1.00 0.00 C ATOM 0 H LEU A 52 6.526 -8.117 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 52 8.580 -9.187 1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.426 -7.144 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.580 -7.753 3.174 1.00 0.00 H new ATOM 0 HG LEU A 52 8.477 -6.343 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.603 -4.258 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.929 -4.833 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.786 -5.060 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.491 -5.876 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.797 -6.783 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.182 -7.622 1.830 1.00 0.00 H new ATOM 745 N ASN A 53 6.838 -10.445 2.925 1.00 0.00 N ATOM 746 CA ASN A 53 5.986 -11.495 3.458 1.00 0.00 C ATOM 747 C ASN A 53 5.017 -10.891 4.478 1.00 0.00 C ATOM 748 O ASN A 53 5.442 -10.337 5.490 1.00 0.00 O ATOM 749 CB ASN A 53 6.813 -12.568 4.169 1.00 0.00 C ATOM 750 CG ASN A 53 6.006 -13.856 4.343 1.00 0.00 C ATOM 751 OD1 ASN A 53 5.230 -14.253 3.490 1.00 0.00 O ATOM 752 ND2 ASN A 53 6.232 -14.485 5.493 1.00 0.00 N ATOM 0 H ASN A 53 7.613 -10.176 3.531 1.00 0.00 H new ATOM 0 HA ASN A 53 5.448 -11.948 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.716 -12.775 3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.132 -12.200 5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.742 -15.354 5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.895 -14.098 6.164 1.00 0.00 H new ATOM 759 N PRO A 54 3.700 -11.023 4.167 1.00 0.00 N ATOM 760 CA PRO A 54 2.668 -10.497 5.045 1.00 0.00 C ATOM 761 C PRO A 54 2.500 -11.380 6.283 1.00 0.00 C ATOM 762 O PRO A 54 1.702 -11.070 7.167 1.00 0.00 O ATOM 763 CB PRO A 54 1.416 -10.434 4.185 1.00 0.00 C ATOM 764 CG PRO A 54 1.674 -11.356 3.004 1.00 0.00 C ATOM 765 CD PRO A 54 3.160 -11.673 2.977 1.00 0.00 C ATOM 0 HA PRO A 54 2.913 -9.511 5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.539 -10.756 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.223 -9.415 3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.090 -12.271 3.100 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.368 -10.879 2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.336 -12.749 2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.630 -11.292 2.070 1.00 0.00 H new ATOM 773 N ALA A 55 3.264 -12.461 6.308 1.00 0.00 N ATOM 774 CA ALA A 55 3.210 -13.391 7.424 1.00 0.00 C ATOM 775 C ALA A 55 4.386 -13.122 8.364 1.00 0.00 C ATOM 776 O ALA A 55 4.553 -13.812 9.369 1.00 0.00 O ATOM 777 CB ALA A 55 3.204 -14.826 6.893 1.00 0.00 C ATOM 0 H ALA A 55 3.925 -12.715 5.573 1.00 0.00 H new ATOM 0 HA ALA A 55 2.293 -13.251 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.164 -15.523 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.333 -14.974 6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.111 -15.004 6.316 1.00 0.00 H new ATOM 783 N SER A 56 5.172 -12.117 8.005 1.00 0.00 N ATOM 784 CA SER A 56 6.328 -11.748 8.804 1.00 0.00 C ATOM 785 C SER A 56 6.006 -10.518 9.654 1.00 0.00 C ATOM 786 O SER A 56 5.260 -9.639 9.223 1.00 0.00 O ATOM 787 CB SER A 56 7.546 -11.477 7.918 1.00 0.00 C ATOM 788 OG SER A 56 8.718 -11.221 8.687 1.00 0.00 O ATOM 0 H SER A 56 5.031 -11.547 7.171 1.00 0.00 H new ATOM 0 HA SER A 56 6.569 -12.583 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.719 -12.334 7.267 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.342 -10.623 7.272 1.00 0.00 H new ATOM 0 HG SER A 56 9.377 -10.752 8.133 1.00 0.00 H new ATOM 794 N PRO A 57 6.598 -10.493 10.878 1.00 0.00 N ATOM 795 CA PRO A 57 6.382 -9.385 11.792 1.00 0.00 C ATOM 796 C PRO A 57 7.165 -8.148 11.350 1.00 0.00 C ATOM 797 O PRO A 57 6.628 -7.042 11.332 1.00 0.00 O ATOM 798 CB PRO A 57 6.815 -9.908 13.153 1.00 0.00 C ATOM 799 CG PRO A 57 7.688 -11.120 12.875 1.00 0.00 C ATOM 800 CD PRO A 57 7.487 -11.516 11.421 1.00 0.00 C ATOM 0 HA PRO A 57 5.343 -9.058 11.818 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.367 -9.148 13.706 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.951 -10.180 13.760 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.736 -10.888 13.066 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.419 -11.944 13.536 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.435 -11.543 10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.045 -12.509 11.338 1.00 0.00 H new ATOM 808 N MET A 58 8.423 -8.376 11.003 1.00 0.00 N ATOM 809 CA MET A 58 9.286 -7.294 10.562 1.00 0.00 C ATOM 810 C MET A 58 8.710 -6.603 9.325 1.00 0.00 C ATOM 811 O MET A 58 8.974 -5.425 9.088 1.00 0.00 O ATOM 812 CB MET A 58 10.675 -7.848 10.237 1.00 0.00 C ATOM 813 CG MET A 58 11.756 -6.792 10.475 1.00 0.00 C ATOM 814 SD MET A 58 12.802 -7.285 11.835 1.00 0.00 S ATOM 815 CE MET A 58 11.753 -6.843 13.210 1.00 0.00 C ATOM 0 H MET A 58 8.865 -9.295 11.018 1.00 0.00 H new ATOM 0 HA MET A 58 9.357 -6.561 11.365 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.875 -8.724 10.855 1.00 0.00 H new ATOM 0 HB3 MET A 58 10.705 -8.177 9.198 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.355 -6.663 9.573 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.294 -5.829 10.691 1.00 0.00 H new ATOM 0 HE1 MET A 58 12.257 -7.086 14.145 1.00 0.00 H new ATOM 0 HE2 MET A 58 11.543 -5.774 13.178 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.817 -7.399 13.147 1.00 0.00 H new ATOM 825 N VAL A 59 7.934 -7.365 8.568 1.00 0.00 N ATOM 826 CA VAL A 59 7.318 -6.840 7.361 1.00 0.00 C ATOM 827 C VAL A 59 6.225 -5.840 7.745 1.00 0.00 C ATOM 828 O VAL A 59 5.727 -5.103 6.895 1.00 0.00 O ATOM 829 CB VAL A 59 6.798 -7.991 6.497 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.785 -7.488 5.467 1.00 0.00 C ATOM 831 CG2 VAL A 59 7.952 -8.729 5.816 1.00 0.00 C ATOM 0 H VAL A 59 7.718 -8.342 8.767 1.00 0.00 H new ATOM 0 HA VAL A 59 8.052 -6.304 6.759 1.00 0.00 H new ATOM 0 HB VAL A 59 6.288 -8.698 7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.431 -8.325 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.941 -7.028 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.260 -6.752 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.556 -9.542 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.502 -8.036 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.621 -9.136 6.574 1.00 0.00 H new ATOM 841 N LYS A 60 5.884 -5.846 9.025 1.00 0.00 N ATOM 842 CA LYS A 60 4.860 -4.949 9.531 1.00 0.00 C ATOM 843 C LYS A 60 5.528 -3.736 10.183 1.00 0.00 C ATOM 844 O LYS A 60 4.850 -2.878 10.747 1.00 0.00 O ATOM 845 CB LYS A 60 3.903 -5.698 10.461 1.00 0.00 C ATOM 846 CG LYS A 60 3.636 -7.114 9.948 1.00 0.00 C ATOM 847 CD LYS A 60 2.817 -7.083 8.655 1.00 0.00 C ATOM 848 CE LYS A 60 1.375 -6.650 8.930 1.00 0.00 C ATOM 849 NZ LYS A 60 0.459 -7.808 8.831 1.00 0.00 N ATOM 0 H LYS A 60 6.299 -6.458 9.727 1.00 0.00 H new ATOM 0 HA LYS A 60 4.244 -4.574 8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.327 -5.745 11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.963 -5.152 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.582 -7.625 9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.102 -7.685 10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.278 -6.396 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.822 -8.070 8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.305 -6.207 9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.077 -5.881 8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.515 -7.497 9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.514 -8.213 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.734 -8.529 9.528 1.00 0.00 H new ATOM 863 N LYS A 61 6.848 -3.703 10.084 1.00 0.00 N ATOM 864 CA LYS A 61 7.615 -2.610 10.657 1.00 0.00 C ATOM 865 C LYS A 61 8.327 -1.850 9.536 1.00 0.00 C ATOM 866 O LYS A 61 8.791 -0.729 9.739 1.00 0.00 O ATOM 867 CB LYS A 61 8.558 -3.129 11.744 1.00 0.00 C ATOM 868 CG LYS A 61 7.772 -3.744 12.904 1.00 0.00 C ATOM 869 CD LYS A 61 8.336 -3.289 14.251 1.00 0.00 C ATOM 870 CE LYS A 61 7.600 -3.965 15.410 1.00 0.00 C ATOM 871 NZ LYS A 61 8.420 -3.919 16.641 1.00 0.00 N ATOM 0 H LYS A 61 7.407 -4.416 9.615 1.00 0.00 H new ATOM 0 HA LYS A 61 6.954 -1.900 11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.231 -3.874 11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.178 -2.312 12.113 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.723 -3.457 12.830 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.811 -4.831 12.838 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.399 -3.526 14.303 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.246 -2.206 14.340 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.646 -3.467 15.583 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.377 -5.001 15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.906 -4.382 17.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.320 -4.414 16.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.611 -2.929 16.894 1.00 0.00 H new ATOM 885 N ILE A 62 8.392 -2.491 8.378 1.00 0.00 N ATOM 886 CA ILE A 62 9.040 -1.890 7.225 1.00 0.00 C ATOM 887 C ILE A 62 7.992 -1.170 6.374 1.00 0.00 C ATOM 888 O ILE A 62 8.334 -0.344 5.529 1.00 0.00 O ATOM 889 CB ILE A 62 9.842 -2.940 6.454 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.845 -3.646 7.369 1.00 0.00 C ATOM 891 CG2 ILE A 62 10.521 -2.321 5.230 1.00 0.00 C ATOM 892 CD1 ILE A 62 11.083 -5.087 6.914 1.00 0.00 C ATOM 0 H ILE A 62 8.006 -3.421 8.214 1.00 0.00 H new ATOM 0 HA ILE A 62 9.764 -1.139 7.543 1.00 0.00 H new ATOM 0 HB ILE A 62 9.149 -3.699 6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.789 -3.101 7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.474 -3.641 8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 62 11.085 -3.089 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.764 -1.903 4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 62 11.199 -1.530 5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.800 -5.566 7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.142 -5.636 6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.477 -5.087 5.898 1.00 0.00 H new ATOM 904 N ILE A 63 6.736 -1.508 6.628 1.00 0.00 N ATOM 905 CA ILE A 63 5.636 -0.904 5.896 1.00 0.00 C ATOM 906 C ILE A 63 5.113 0.304 6.675 1.00 0.00 C ATOM 907 O ILE A 63 5.032 1.407 6.137 1.00 0.00 O ATOM 908 CB ILE A 63 4.562 -1.948 5.586 1.00 0.00 C ATOM 909 CG1 ILE A 63 5.000 -2.862 4.440 1.00 0.00 C ATOM 910 CG2 ILE A 63 3.214 -1.281 5.303 1.00 0.00 C ATOM 911 CD1 ILE A 63 4.366 -4.249 4.572 1.00 0.00 C ATOM 0 H ILE A 63 6.456 -2.192 7.331 1.00 0.00 H new ATOM 0 HA ILE A 63 5.978 -0.536 4.929 1.00 0.00 H new ATOM 0 HB ILE A 63 4.432 -2.576 6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.715 -2.417 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.086 -2.953 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.468 -2.046 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.902 -0.707 6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.311 -0.614 4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.694 -4.879 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.672 -4.701 5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.280 -4.156 4.549 1.00 0.00 H new ATOM 923 N GLU A 64 4.771 0.055 7.931 1.00 0.00 N ATOM 924 CA GLU A 64 4.258 1.109 8.790 1.00 0.00 C ATOM 925 C GLU A 64 5.235 2.286 8.828 1.00 0.00 C ATOM 926 O GLU A 64 4.819 3.441 8.889 1.00 0.00 O ATOM 927 CB GLU A 64 3.981 0.581 10.199 1.00 0.00 C ATOM 928 CG GLU A 64 2.839 -0.438 10.188 1.00 0.00 C ATOM 929 CD GLU A 64 2.889 -1.330 11.429 1.00 0.00 C ATOM 930 OE1 GLU A 64 3.527 -0.898 12.414 1.00 0.00 O ATOM 931 OE2 GLU A 64 2.287 -2.424 11.366 1.00 0.00 O ATOM 0 H GLU A 64 4.839 -0.861 8.374 1.00 0.00 H new ATOM 0 HA GLU A 64 3.313 1.460 8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.882 0.118 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.727 1.411 10.859 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.882 0.083 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.904 -1.053 9.291 1.00 0.00 H new ATOM 938 N LYS A 65 6.517 1.951 8.789 1.00 0.00 N ATOM 939 CA LYS A 65 7.557 2.966 8.819 1.00 0.00 C ATOM 940 C LYS A 65 7.570 3.715 7.485 1.00 0.00 C ATOM 941 O LYS A 65 7.823 4.918 7.447 1.00 0.00 O ATOM 942 CB LYS A 65 8.904 2.341 9.187 1.00 0.00 C ATOM 943 CG LYS A 65 9.171 2.460 10.689 1.00 0.00 C ATOM 944 CD LYS A 65 10.358 3.385 10.963 1.00 0.00 C ATOM 945 CE LYS A 65 9.892 4.828 11.169 1.00 0.00 C ATOM 946 NZ LYS A 65 10.942 5.619 11.849 1.00 0.00 N ATOM 0 H LYS A 65 6.859 0.991 8.737 1.00 0.00 H new ATOM 0 HA LYS A 65 7.350 3.702 9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.914 1.291 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.702 2.834 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.283 2.844 11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.371 1.473 11.106 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.894 3.042 11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.058 3.341 10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.653 5.280 10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.978 4.840 11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.610 6.596 11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.150 5.196 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.805 5.622 11.268 1.00 0.00 H new ATOM 960 N MET A 66 7.294 2.972 6.423 1.00 0.00 N ATOM 961 CA MET A 66 7.271 3.551 5.090 1.00 0.00 C ATOM 962 C MET A 66 6.237 4.675 4.999 1.00 0.00 C ATOM 963 O MET A 66 6.471 5.686 4.338 1.00 0.00 O ATOM 964 CB MET A 66 6.935 2.464 4.067 1.00 0.00 C ATOM 965 CG MET A 66 8.107 2.230 3.112 1.00 0.00 C ATOM 966 SD MET A 66 8.606 3.773 2.366 1.00 0.00 S ATOM 967 CE MET A 66 7.288 3.984 1.180 1.00 0.00 C ATOM 0 H MET A 66 7.084 1.974 6.458 1.00 0.00 H new ATOM 0 HA MET A 66 8.255 3.970 4.879 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.691 1.536 4.584 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.051 2.754 3.499 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.945 1.791 3.653 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.819 1.519 2.338 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.586 4.718 0.432 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.082 3.031 0.692 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.390 4.331 1.692 1.00 0.00 H new ATOM 977 N LEU A 67 5.116 4.461 5.671 1.00 0.00 N ATOM 978 CA LEU A 67 4.045 5.444 5.674 1.00 0.00 C ATOM 979 C LEU A 67 4.494 6.678 6.460 1.00 0.00 C ATOM 980 O LEU A 67 3.877 7.738 6.363 1.00 0.00 O ATOM 981 CB LEU A 67 2.748 4.822 6.195 1.00 0.00 C ATOM 982 CG LEU A 67 1.973 3.957 5.200 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.861 2.851 4.627 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.699 3.397 5.836 1.00 0.00 C ATOM 0 H LEU A 67 4.925 3.621 6.218 1.00 0.00 H new ATOM 0 HA LEU A 67 3.828 5.774 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.985 4.213 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.094 5.625 6.535 1.00 0.00 H new ATOM 0 HG LEU A 67 1.666 4.588 4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.285 2.251 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.712 3.297 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.219 2.216 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.167 2.786 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.962 2.786 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.060 4.220 6.155 1.00 0.00 H new ATOM 996 N LYS A 68 5.565 6.500 7.219 1.00 0.00 N ATOM 997 CA LYS A 68 6.104 7.585 8.020 1.00 0.00 C ATOM 998 C LYS A 68 7.347 8.153 7.333 1.00 0.00 C ATOM 999 O LYS A 68 7.612 9.352 7.412 1.00 0.00 O ATOM 1000 CB LYS A 68 6.354 7.119 9.456 1.00 0.00 C ATOM 1001 CG LYS A 68 5.201 7.529 10.375 1.00 0.00 C ATOM 1002 CD LYS A 68 5.654 8.584 11.385 1.00 0.00 C ATOM 1003 CE LYS A 68 5.350 9.995 10.878 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.739 11.004 11.889 1.00 0.00 N ATOM 0 H LYS A 68 6.074 5.620 7.296 1.00 0.00 H new ATOM 0 HA LYS A 68 5.381 8.398 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.471 6.035 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.287 7.547 9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.378 7.922 9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.823 6.654 10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.151 8.420 12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.724 8.482 11.568 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.888 10.177 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.287 10.086 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.526 11.956 11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.207 10.839 12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.758 10.927 12.082 1.00 0.00 H new ATOM 1018 N ASN A 69 8.076 7.265 6.673 1.00 0.00 N ATOM 1019 CA ASN A 69 9.285 7.663 5.971 1.00 0.00 C ATOM 1020 C ASN A 69 10.292 8.224 6.978 1.00 0.00 C ATOM 1021 O ASN A 69 11.229 7.532 7.375 1.00 0.00 O ATOM 1022 CB ASN A 69 8.990 8.754 4.940 1.00 0.00 C ATOM 1023 CG ASN A 69 10.286 9.357 4.394 1.00 0.00 C ATOM 1024 OD1 ASN A 69 10.550 10.577 4.852 1.00 0.00 O flip ATOM 1025 ND2 ASN A 69 10.999 8.754 3.608 1.00 0.00 N flip ATOM 0 H ASN A 69 7.853 6.272 6.609 1.00 0.00 H new ATOM 0 HA ASN A 69 9.684 6.785 5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.405 8.336 4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.385 9.537 5.397 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.737 7.819 3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.856 9.185 3.263 1.00 0.00 H new ATOM 1032 N GLY A 70 10.066 9.472 7.360 1.00 0.00 N ATOM 1033 CA GLY A 70 10.941 10.133 8.312 1.00 0.00 C ATOM 1034 C GLY A 70 11.705 11.282 7.649 1.00 0.00 C ATOM 1035 O GLY A 70 11.098 12.222 7.139 1.00 0.00 O ATOM 0 H GLY A 70 9.289 10.043 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.353 10.516 9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.647 9.412 8.724 1.00 0.00 H new ATOM 1135 N ARG B 8 7.620 15.637 -8.551 1.00 0.00 N ATOM 1136 CA ARG B 8 6.593 16.099 -7.633 1.00 0.00 C ATOM 1137 C ARG B 8 5.907 14.907 -6.961 1.00 0.00 C ATOM 1138 O ARG B 8 6.546 13.893 -6.684 1.00 0.00 O ATOM 1139 CB ARG B 8 5.542 16.941 -8.359 1.00 0.00 C ATOM 1140 CG ARG B 8 6.196 17.862 -9.391 1.00 0.00 C ATOM 1141 CD ARG B 8 5.170 18.820 -9.999 1.00 0.00 C ATOM 1142 NE ARG B 8 4.185 19.225 -8.971 1.00 0.00 N ATOM 1143 CZ ARG B 8 3.071 18.537 -8.685 1.00 0.00 C ATOM 1144 NH1 ARG B 8 2.794 17.405 -9.348 1.00 0.00 N ATOM 1145 NH2 ARG B 8 2.235 18.980 -7.737 1.00 0.00 N ATOM 0 HA ARG B 8 7.078 16.717 -6.878 1.00 0.00 H new ATOM 0 HB2 ARG B 8 4.824 16.286 -8.853 1.00 0.00 H new ATOM 0 HB3 ARG B 8 4.985 17.537 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.996 18.432 -8.919 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.653 17.264 -10.180 1.00 0.00 H new ATOM 0 HD2 ARG B 8 5.674 19.700 -10.398 1.00 0.00 H new ATOM 0 HD3 ARG B 8 4.660 18.338 -10.833 1.00 0.00 H new ATOM 0 HE ARG B 8 4.365 20.082 -8.447 1.00 0.00 H new ATOM 0 HH11 ARG B 8 3.431 17.068 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG B 8 1.946 16.881 -9.131 1.00 0.00 H new ATOM 0 HH21 ARG B 8 2.446 19.841 -7.233 1.00 0.00 H new ATOM 0 HH22 ARG B 8 1.387 18.456 -7.519 1.00 0.00 H new ATOM 1159 N CYS B 9 4.614 15.070 -6.719 1.00 0.00 N ATOM 1160 CA CYS B 9 3.834 14.020 -6.085 1.00 0.00 C ATOM 1161 C CYS B 9 3.086 13.252 -7.176 1.00 0.00 C ATOM 1162 O CYS B 9 2.614 13.846 -8.145 1.00 0.00 O ATOM 1163 CB CYS B 9 2.882 14.583 -5.027 1.00 0.00 C ATOM 1164 SG CYS B 9 3.690 15.118 -3.475 1.00 0.00 S ATOM 0 H CYS B 9 4.088 15.912 -6.950 1.00 0.00 H new ATOM 0 HA CYS B 9 4.499 13.339 -5.554 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.348 15.432 -5.454 1.00 0.00 H new ATOM 0 HB3 CYS B 9 2.136 13.825 -4.789 1.00 0.00 H new ATOM 1169 N GLN B 10 2.999 11.945 -6.982 1.00 0.00 N ATOM 1170 CA GLN B 10 2.316 11.090 -7.937 1.00 0.00 C ATOM 1171 C GLN B 10 0.808 11.106 -7.681 1.00 0.00 C ATOM 1172 O GLN B 10 0.059 10.363 -8.313 1.00 0.00 O ATOM 1173 CB GLN B 10 2.865 9.663 -7.887 1.00 0.00 C ATOM 1174 CG GLN B 10 2.810 9.005 -9.267 1.00 0.00 C ATOM 1175 CD GLN B 10 1.879 7.790 -9.259 1.00 0.00 C ATOM 1176 OE1 GLN B 10 0.773 7.820 -9.773 1.00 0.00 O ATOM 1177 NE2 GLN B 10 2.387 6.724 -8.648 1.00 0.00 N ATOM 0 H GLN B 10 3.391 11.457 -6.177 1.00 0.00 H new ATOM 0 HA GLN B 10 2.499 11.480 -8.938 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.894 9.678 -7.528 1.00 0.00 H new ATOM 0 HB3 GLN B 10 2.288 9.072 -7.175 1.00 0.00 H new ATOM 0 HG2 GLN B 10 2.463 9.728 -10.005 1.00 0.00 H new ATOM 0 HG3 GLN B 10 3.812 8.698 -9.568 1.00 0.00 H new ATOM 0 HE21 GLN B 10 3.320 6.767 -8.239 1.00 0.00 H new ATOM 0 HE22 GLN B 10 1.843 5.863 -8.589 1.00 0.00 H new ATOM 1186 N CYS B 11 0.407 11.962 -6.752 1.00 0.00 N ATOM 1187 CA CYS B 11 -0.998 12.085 -6.403 1.00 0.00 C ATOM 1188 C CYS B 11 -1.412 13.546 -6.586 1.00 0.00 C ATOM 1189 O CYS B 11 -0.928 14.426 -5.875 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.275 11.586 -4.984 1.00 0.00 C ATOM 1191 SG CYS B 11 -2.079 9.945 -4.890 1.00 0.00 S ATOM 0 H CYS B 11 1.031 12.577 -6.230 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.595 11.454 -7.061 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -0.332 11.545 -4.438 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -1.907 12.314 -4.475 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.304 13.761 -7.542 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.788 15.100 -7.827 1.00 0.00 C ATOM 1198 C LEU B 12 -4.024 15.384 -6.970 1.00 0.00 C ATOM 1199 O LEU B 12 -4.328 16.539 -6.677 1.00 0.00 O ATOM 1200 CB LEU B 12 -3.027 15.276 -9.328 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.922 14.755 -10.249 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.486 14.362 -11.615 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.784 15.770 -10.369 1.00 0.00 C ATOM 0 H LEU B 12 -2.704 13.029 -8.129 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.036 15.842 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.958 14.772 -9.589 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.171 16.337 -9.531 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.503 13.853 -9.803 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.679 13.995 -12.250 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.233 13.578 -11.488 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.948 15.232 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -0.012 15.375 -11.029 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -1.170 16.703 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.358 15.957 -9.383 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.702 14.310 -6.593 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.897 14.429 -5.776 1.00 0.00 C ATOM 1217 C GLN B 13 -5.876 13.393 -4.650 1.00 0.00 C ATOM 1218 O GLN B 13 -4.956 12.581 -4.567 1.00 0.00 O ATOM 1219 CB GLN B 13 -7.160 14.287 -6.628 1.00 0.00 C ATOM 1220 CG GLN B 13 -8.323 15.075 -6.020 1.00 0.00 C ATOM 1221 CD GLN B 13 -9.395 14.132 -5.470 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -9.302 12.920 -5.567 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -10.416 14.755 -4.888 1.00 0.00 N ATOM 0 H GLN B 13 -4.446 13.354 -6.838 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.910 15.423 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.963 14.644 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.432 13.235 -6.709 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -7.953 15.717 -5.221 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -8.760 15.727 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -10.432 15.774 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -11.183 14.214 -4.489 1.00 0.00 H new ATOM 1232 N THR B 14 -6.900 13.456 -3.812 1.00 0.00 N ATOM 1233 CA THR B 14 -7.011 12.534 -2.694 1.00 0.00 C ATOM 1234 C THR B 14 -8.466 12.425 -2.235 1.00 0.00 C ATOM 1235 O THR B 14 -9.277 13.306 -2.515 1.00 0.00 O ATOM 1236 CB THR B 14 -6.060 13.009 -1.594 1.00 0.00 C ATOM 1237 OG1 THR B 14 -6.309 14.408 -1.499 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.590 12.920 -2.011 1.00 0.00 C ATOM 0 H THR B 14 -7.661 14.131 -3.885 1.00 0.00 H new ATOM 0 HA THR B 14 -6.718 11.524 -2.983 1.00 0.00 H new ATOM 0 HB THR B 14 -6.219 12.413 -0.696 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.734 14.796 -0.806 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.958 13.269 -1.194 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.340 11.885 -2.246 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.423 13.542 -2.890 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.752 11.336 -1.536 1.00 0.00 N ATOM 1247 CA LEU B 15 -10.095 11.100 -1.035 1.00 0.00 C ATOM 1248 C LEU B 15 -10.045 10.923 0.484 1.00 0.00 C ATOM 1249 O LEU B 15 -9.027 10.499 1.029 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.742 9.924 -1.770 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.770 10.020 -3.297 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.769 8.629 -3.934 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -11.952 10.867 -3.771 1.00 0.00 C ATOM 0 H LEU B 15 -8.076 10.608 -1.305 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.733 11.961 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -10.212 9.013 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.767 9.818 -1.414 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.861 10.524 -3.625 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.789 8.726 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.869 8.092 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -11.648 8.076 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -11.949 10.919 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.884 10.414 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -11.867 11.873 -3.359 1.00 0.00 H new ATOM 1265 N GLN B 16 -11.155 11.257 1.124 1.00 0.00 N ATOM 1266 CA GLN B 16 -11.250 11.141 2.569 1.00 0.00 C ATOM 1267 C GLN B 16 -11.280 9.668 2.982 1.00 0.00 C ATOM 1268 O GLN B 16 -11.079 9.343 4.151 1.00 0.00 O ATOM 1269 CB GLN B 16 -12.478 11.884 3.099 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.785 11.476 4.542 1.00 0.00 C ATOM 1271 CD GLN B 16 -13.803 10.334 4.584 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -14.923 10.449 4.112 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -13.354 9.230 5.173 1.00 0.00 N ATOM 0 H GLN B 16 -11.997 11.608 0.668 1.00 0.00 H new ATOM 0 HA GLN B 16 -10.367 11.604 3.010 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.306 12.959 3.050 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.339 11.670 2.466 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -11.866 11.167 5.040 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -13.172 12.334 5.092 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.405 9.201 5.547 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -13.958 8.412 5.251 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.534 8.816 1.999 1.00 0.00 N ATOM 1283 CA GLY B 17 -11.593 7.385 2.246 1.00 0.00 C ATOM 1284 C GLY B 17 -12.941 6.808 1.810 1.00 0.00 C ATOM 1285 O GLY B 17 -13.949 6.994 2.490 1.00 0.00 O ATOM 0 H GLY B 17 -11.701 9.089 1.031 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -10.788 6.886 1.706 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -11.435 7.189 3.307 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.916 6.120 0.678 1.00 0.00 N ATOM 1290 CA ILE B 18 -14.124 5.515 0.143 1.00 0.00 C ATOM 1291 C ILE B 18 -14.216 4.064 0.618 1.00 0.00 C ATOM 1292 O ILE B 18 -13.228 3.495 1.080 1.00 0.00 O ATOM 1293 CB ILE B 18 -14.171 5.669 -1.379 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -14.727 7.038 -1.775 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -14.957 4.524 -2.021 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -14.192 7.472 -3.142 1.00 0.00 C ATOM 0 H ILE B 18 -12.078 5.968 0.116 1.00 0.00 H new ATOM 0 HA ILE B 18 -15.008 6.030 0.520 1.00 0.00 H new ATOM 0 HB ILE B 18 -13.151 5.614 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -15.816 6.998 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -14.454 7.777 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -14.976 4.657 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -14.479 3.575 -1.780 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -15.977 4.524 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -14.602 8.448 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -13.104 7.534 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -14.488 6.743 -3.897 1.00 0.00 H new ATOM 1308 N HIS B 19 -15.411 3.507 0.487 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.645 2.132 0.897 1.00 0.00 C ATOM 1310 C HIS B 19 -14.644 1.211 0.197 1.00 0.00 C ATOM 1311 O HIS B 19 -14.525 1.233 -1.027 1.00 0.00 O ATOM 1312 CB HIS B 19 -17.099 1.730 0.645 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.740 0.991 1.795 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -19.071 0.610 1.792 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.220 0.566 2.982 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.329 -0.014 2.932 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.181 -0.040 3.669 1.00 0.00 N ATOM 0 H HIS B 19 -16.228 3.982 0.103 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.484 2.036 1.971 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.682 2.627 0.433 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -17.143 1.103 -0.246 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.199 0.700 3.308 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.281 -0.429 3.226 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.078 -0.456 4.595 1.00 0.00 H new ATOM 1325 N LEU B 20 -13.950 0.422 1.005 1.00 0.00 N ATOM 1326 CA LEU B 20 -12.964 -0.506 0.478 1.00 0.00 C ATOM 1327 C LEU B 20 -13.628 -1.419 -0.555 1.00 0.00 C ATOM 1328 O LEU B 20 -12.947 -2.041 -1.368 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.279 -1.264 1.617 1.00 0.00 C ATOM 1330 CG LEU B 20 -11.801 -2.680 1.289 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.276 -2.776 1.370 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -12.489 -3.712 2.185 1.00 0.00 C ATOM 0 H LEU B 20 -14.051 0.407 2.020 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.171 0.035 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -11.421 -0.681 1.951 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -12.972 -1.321 2.457 1.00 0.00 H new ATOM 0 HG LEU B 20 -12.084 -2.907 0.261 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -9.962 -3.793 1.133 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -9.829 -2.083 0.657 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -9.948 -2.521 2.378 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -12.132 -4.710 1.931 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -12.259 -3.499 3.229 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -13.567 -3.664 2.034 1.00 0.00 H new ATOM 1344 N LYS B 21 -14.951 -1.470 -0.488 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.715 -2.295 -1.408 1.00 0.00 C ATOM 1346 C LYS B 21 -15.227 -2.047 -2.836 1.00 0.00 C ATOM 1347 O LYS B 21 -15.394 -2.896 -3.710 1.00 0.00 O ATOM 1348 CB LYS B 21 -17.215 -2.059 -1.220 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.675 -0.821 -1.992 1.00 0.00 C ATOM 1350 CD LYS B 21 -18.458 -1.216 -3.246 1.00 0.00 C ATOM 1351 CE LYS B 21 -19.580 -0.215 -3.530 1.00 0.00 C ATOM 1352 NZ LYS B 21 -20.848 -0.671 -2.920 1.00 0.00 N ATOM 0 H LYS B 21 -15.513 -0.953 0.189 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.553 -3.352 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.770 -2.933 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.437 -1.935 -0.160 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -18.299 -0.199 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -16.810 -0.221 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -17.783 -1.263 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -18.879 -2.213 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -19.311 0.764 -3.134 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -19.708 -0.099 -4.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -21.599 0.020 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -21.112 -1.595 -3.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -20.726 -0.759 -1.891 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.633 -0.878 -3.030 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.120 -0.506 -4.337 1.00 0.00 C ATOM 1368 C ASN B 22 -12.609 -0.745 -4.374 1.00 0.00 C ATOM 1369 O ASN B 22 -12.095 -1.349 -5.314 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.372 0.974 -4.628 1.00 0.00 C ATOM 1371 CG ASN B 22 -15.707 1.172 -5.348 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -15.889 0.785 -6.490 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -16.628 1.795 -4.618 1.00 0.00 N ATOM 0 H ASN B 22 -14.496 -0.176 -2.303 1.00 0.00 H new ATOM 0 HA ASN B 22 -14.632 -1.112 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.371 1.537 -3.695 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -13.562 1.371 -5.240 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.553 1.975 -5.009 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.409 2.093 -3.667 1.00 0.00 H new ATOM 1380 N ILE B 23 -11.940 -0.258 -3.339 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.498 -0.410 -3.241 1.00 0.00 C ATOM 1382 C ILE B 23 -10.145 -1.899 -3.251 1.00 0.00 C ATOM 1383 O ILE B 23 -10.713 -2.680 -2.488 1.00 0.00 O ATOM 1384 CB ILE B 23 -9.962 0.341 -2.021 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -10.075 1.855 -2.215 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.530 -0.090 -1.697 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.939 2.485 -1.121 1.00 0.00 C ATOM 0 H ILE B 23 -12.370 0.242 -2.561 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.008 0.040 -4.104 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.579 0.080 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.081 2.302 -2.201 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.507 2.069 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.173 0.459 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -8.511 -1.159 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -7.884 0.123 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -11.003 3.561 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.939 2.053 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.491 2.290 -0.146 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.210 -2.247 -4.122 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.775 -3.628 -4.241 1.00 0.00 C ATOM 1401 C GLN B 24 -7.312 -3.762 -3.814 1.00 0.00 C ATOM 1402 O GLN B 24 -6.845 -4.862 -3.524 1.00 0.00 O ATOM 1403 CB GLN B 24 -8.980 -4.147 -5.666 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.522 -5.577 -5.656 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.450 -6.567 -5.195 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -7.319 -6.503 -5.892 1.00 0.00 O flip ATOM 1407 NE2 GLN B 24 -8.637 -7.337 -4.268 1.00 0.00 N flip ATOM 0 H GLN B 24 -8.741 -1.596 -4.752 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.385 -4.239 -3.576 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.673 -3.495 -6.198 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -8.035 -4.116 -6.207 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -10.386 -5.637 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -9.865 -5.846 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -9.530 -7.334 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -7.901 -7.984 -3.986 1.00 0.00 H new ATOM 1416 N SER B 25 -6.629 -2.627 -3.789 1.00 0.00 N ATOM 1417 CA SER B 25 -5.229 -2.604 -3.402 1.00 0.00 C ATOM 1418 C SER B 25 -4.844 -1.206 -2.913 1.00 0.00 C ATOM 1419 O SER B 25 -5.469 -0.217 -3.294 1.00 0.00 O ATOM 1420 CB SER B 25 -4.329 -3.025 -4.565 1.00 0.00 C ATOM 1421 OG SER B 25 -5.083 -3.388 -5.719 1.00 0.00 O ATOM 0 H SER B 25 -7.020 -1.716 -4.031 1.00 0.00 H new ATOM 0 HA SER B 25 -5.087 -3.318 -2.591 1.00 0.00 H new ATOM 0 HB2 SER B 25 -3.654 -2.207 -4.816 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.709 -3.867 -4.257 1.00 0.00 H new ATOM 0 HG SER B 25 -4.473 -3.649 -6.440 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.817 -1.168 -2.077 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.342 0.092 -1.532 1.00 0.00 C ATOM 1429 C VAL B 26 -1.837 0.216 -1.782 1.00 0.00 C ATOM 1430 O VAL B 26 -1.092 -0.745 -1.593 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.712 0.195 -0.051 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.991 1.369 0.614 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -5.227 0.307 0.129 1.00 0.00 C ATOM 0 H VAL B 26 -3.301 -1.990 -1.764 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.825 0.931 -2.033 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.384 -0.721 0.441 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -3.272 1.420 1.666 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.913 1.228 0.532 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.274 2.298 0.118 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.463 0.379 1.191 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.590 1.198 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.710 -0.576 -0.291 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.436 1.406 -2.203 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.034 1.668 -2.481 1.00 0.00 C ATOM 1445 C LYS B 27 0.384 2.969 -1.794 1.00 0.00 C ATOM 1446 O LYS B 27 -0.232 4.013 -2.006 1.00 0.00 O ATOM 1447 CB LYS B 27 0.224 1.658 -3.989 1.00 0.00 C ATOM 1448 CG LYS B 27 1.720 1.542 -4.289 1.00 0.00 C ATOM 1449 CD LYS B 27 2.475 2.779 -3.798 1.00 0.00 C ATOM 1450 CE LYS B 27 3.534 3.214 -4.813 1.00 0.00 C ATOM 1451 NZ LYS B 27 2.894 3.655 -6.073 1.00 0.00 N ATOM 0 H LYS B 27 -2.057 2.200 -2.358 1.00 0.00 H new ATOM 0 HA LYS B 27 0.590 0.875 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.308 0.824 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.170 2.571 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS B 27 2.123 0.651 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.871 1.421 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.772 3.595 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.950 2.563 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS B 27 4.132 4.026 -4.398 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.215 2.387 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 3.509 4.342 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 2.744 2.833 -6.692 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 1.978 4.100 -5.860 1.00 0.00 H new ATOM 1465 N VAL B 28 1.428 2.865 -0.985 1.00 0.00 N ATOM 1466 CA VAL B 28 1.935 4.021 -0.265 1.00 0.00 C ATOM 1467 C VAL B 28 3.228 4.502 -0.927 1.00 0.00 C ATOM 1468 O VAL B 28 4.175 3.732 -1.079 1.00 0.00 O ATOM 1469 CB VAL B 28 2.112 3.679 1.216 1.00 0.00 C ATOM 1470 CG1 VAL B 28 3.222 4.525 1.844 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.797 3.846 1.978 1.00 0.00 C ATOM 0 H VAL B 28 1.937 1.998 -0.812 1.00 0.00 H new ATOM 0 HA VAL B 28 1.221 4.843 -0.311 1.00 0.00 H new ATOM 0 HB VAL B 28 2.408 2.632 1.286 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.328 4.263 2.897 1.00 0.00 H new ATOM 0 HG12 VAL B 28 4.162 4.334 1.326 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.968 5.581 1.757 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.951 3.597 3.028 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.458 4.879 1.896 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.044 3.182 1.554 1.00 0.00 H new ATOM 1481 N LYS B 29 3.225 5.772 -1.304 1.00 0.00 N ATOM 1482 CA LYS B 29 4.386 6.365 -1.946 1.00 0.00 C ATOM 1483 C LYS B 29 4.928 7.495 -1.069 1.00 0.00 C ATOM 1484 O LYS B 29 4.616 8.664 -1.294 1.00 0.00 O ATOM 1485 CB LYS B 29 4.045 6.802 -3.372 1.00 0.00 C ATOM 1486 CG LYS B 29 5.276 6.729 -4.277 1.00 0.00 C ATOM 1487 CD LYS B 29 6.172 7.955 -4.085 1.00 0.00 C ATOM 1488 CE LYS B 29 6.766 8.415 -5.417 1.00 0.00 C ATOM 1489 NZ LYS B 29 7.399 7.278 -6.122 1.00 0.00 N ATOM 0 H LYS B 29 2.437 6.407 -1.177 1.00 0.00 H new ATOM 0 HA LYS B 29 5.184 5.629 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.256 6.165 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.657 7.821 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.841 5.823 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.962 6.663 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.594 8.766 -3.641 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.975 7.717 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.984 8.847 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.504 9.198 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.110 7.637 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.859 6.653 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 6.673 6.744 -6.641 1.00 0.00 H new ATOM 1503 N SER B 30 5.729 7.108 -0.088 1.00 0.00 N ATOM 1504 CA SER B 30 6.316 8.075 0.824 1.00 0.00 C ATOM 1505 C SER B 30 6.950 9.222 0.034 1.00 0.00 C ATOM 1506 O SER B 30 7.067 9.148 -1.188 1.00 0.00 O ATOM 1507 CB SER B 30 7.358 7.416 1.730 1.00 0.00 C ATOM 1508 OG SER B 30 8.678 7.868 1.443 1.00 0.00 O ATOM 0 H SER B 30 5.986 6.138 0.096 1.00 0.00 H new ATOM 0 HA SER B 30 5.523 8.473 1.457 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.120 7.631 2.772 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.311 6.334 1.609 1.00 0.00 H new ATOM 0 HG SER B 30 9.323 7.346 1.964 1.00 0.00 H new ATOM 1514 N PRO B 31 7.353 10.282 0.784 1.00 0.00 N ATOM 1515 CA PRO B 31 7.972 11.443 0.166 1.00 0.00 C ATOM 1516 C PRO B 31 9.415 11.141 -0.245 1.00 0.00 C ATOM 1517 O PRO B 31 9.987 10.137 0.176 1.00 0.00 O ATOM 1518 CB PRO B 31 7.870 12.545 1.209 1.00 0.00 C ATOM 1519 CG PRO B 31 7.621 11.843 2.534 1.00 0.00 C ATOM 1520 CD PRO B 31 7.231 10.405 2.233 1.00 0.00 C ATOM 0 HA PRO B 31 7.478 11.741 -0.759 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.786 13.134 1.245 1.00 0.00 H new ATOM 0 HB3 PRO B 31 7.058 13.233 0.973 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.515 11.874 3.156 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.829 12.345 3.089 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.886 9.701 2.746 1.00 0.00 H new ATOM 0 HD3 PRO B 31 6.214 10.193 2.564 1.00 0.00 H new ATOM 1528 N GLY B 32 9.962 12.030 -1.062 1.00 0.00 N ATOM 1529 CA GLY B 32 11.326 11.871 -1.535 1.00 0.00 C ATOM 1530 C GLY B 32 12.049 13.219 -1.586 1.00 0.00 C ATOM 1531 O GLY B 32 11.638 14.173 -0.927 1.00 0.00 O ATOM 0 H GLY B 32 9.485 12.862 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.866 11.189 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.320 11.419 -2.527 1.00 0.00 H new ATOM 1535 N PRO B 33 13.141 13.255 -2.395 1.00 0.00 N ATOM 1536 CA PRO B 33 13.925 14.470 -2.541 1.00 0.00 C ATOM 1537 C PRO B 33 13.197 15.490 -3.419 1.00 0.00 C ATOM 1538 O PRO B 33 13.718 16.573 -3.681 1.00 0.00 O ATOM 1539 CB PRO B 33 15.249 14.015 -3.132 1.00 0.00 C ATOM 1540 CG PRO B 33 14.990 12.640 -3.726 1.00 0.00 C ATOM 1541 CD PRO B 33 13.657 12.145 -3.191 1.00 0.00 C ATOM 0 HA PRO B 33 14.083 14.985 -1.594 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.596 14.711 -3.896 1.00 0.00 H new ATOM 0 HB3 PRO B 33 16.024 13.970 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO B 33 14.969 12.692 -4.815 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.790 11.950 -3.456 1.00 0.00 H new ATOM 0 HD2 PRO B 33 12.975 11.889 -4.002 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.782 11.248 -2.585 1.00 0.00 H new ATOM 1549 N HIS B 34 12.003 15.108 -3.849 1.00 0.00 N ATOM 1550 CA HIS B 34 11.199 15.976 -4.692 1.00 0.00 C ATOM 1551 C HIS B 34 9.943 16.408 -3.933 1.00 0.00 C ATOM 1552 O HIS B 34 9.684 17.601 -3.781 1.00 0.00 O ATOM 1553 CB HIS B 34 10.882 15.296 -6.026 1.00 0.00 C ATOM 1554 CG HIS B 34 10.738 13.796 -5.931 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.804 12.956 -5.663 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.643 12.995 -6.071 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.360 11.708 -5.646 1.00 0.00 C ATOM 1558 NE2 HIS B 34 10.020 11.734 -5.899 1.00 0.00 N ATOM 0 H HIS B 34 11.573 14.209 -3.629 1.00 0.00 H new ATOM 0 HA HIS B 34 11.762 16.877 -4.935 1.00 0.00 H new ATOM 0 HB2 HIS B 34 9.958 15.715 -6.425 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.673 15.531 -6.739 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.639 13.330 -6.286 1.00 0.00 H new ATOM 0 HE1 HIS B 34 11.955 10.825 -5.464 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.409 10.919 -5.948 1.00 0.00 H new ATOM 1566 N CYS B 35 9.195 15.414 -3.477 1.00 0.00 N ATOM 1567 CA CYS B 35 7.972 15.676 -2.738 1.00 0.00 C ATOM 1568 C CYS B 35 8.211 15.316 -1.270 1.00 0.00 C ATOM 1569 O CYS B 35 8.600 14.191 -0.958 1.00 0.00 O ATOM 1570 CB CYS B 35 6.781 14.914 -3.325 1.00 0.00 C ATOM 1571 SG CYS B 35 5.502 15.969 -4.100 1.00 0.00 S ATOM 0 H CYS B 35 9.412 14.426 -3.605 1.00 0.00 H new ATOM 0 HA CYS B 35 7.717 16.733 -2.816 1.00 0.00 H new ATOM 0 HB2 CYS B 35 7.150 14.209 -4.069 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.317 14.327 -2.532 1.00 0.00 H new ATOM 1576 N ALA B 36 7.969 16.292 -0.408 1.00 0.00 N ATOM 1577 CA ALA B 36 8.154 16.093 1.020 1.00 0.00 C ATOM 1578 C ALA B 36 6.808 15.746 1.660 1.00 0.00 C ATOM 1579 O ALA B 36 6.611 15.961 2.855 1.00 0.00 O ATOM 1580 CB ALA B 36 8.786 17.344 1.633 1.00 0.00 C ATOM 0 H ALA B 36 7.646 17.223 -0.670 1.00 0.00 H new ATOM 0 HA ALA B 36 8.833 15.261 1.207 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.924 17.194 2.704 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.752 17.530 1.165 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.132 18.200 1.468 1.00 0.00 H new ATOM 1586 N GLN B 37 5.916 15.214 0.836 1.00 0.00 N ATOM 1587 CA GLN B 37 4.595 14.836 1.307 1.00 0.00 C ATOM 1588 C GLN B 37 4.299 13.379 0.943 1.00 0.00 C ATOM 1589 O GLN B 37 4.958 12.806 0.078 1.00 0.00 O ATOM 1590 CB GLN B 37 3.523 15.770 0.743 1.00 0.00 C ATOM 1591 CG GLN B 37 3.913 17.236 0.943 1.00 0.00 C ATOM 1592 CD GLN B 37 3.619 17.692 2.373 1.00 0.00 C ATOM 1593 OE1 GLN B 37 2.492 17.979 2.741 1.00 0.00 O ATOM 1594 NE2 GLN B 37 4.692 17.742 3.157 1.00 0.00 N ATOM 0 H GLN B 37 6.083 15.036 -0.154 1.00 0.00 H new ATOM 0 HA GLN B 37 4.577 14.930 2.393 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.383 15.569 -0.319 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.570 15.573 1.233 1.00 0.00 H new ATOM 0 HG2 GLN B 37 4.973 17.367 0.727 1.00 0.00 H new ATOM 0 HG3 GLN B 37 3.365 17.861 0.238 1.00 0.00 H new ATOM 0 HE21 GLN B 37 5.607 17.488 2.785 1.00 0.00 H new ATOM 0 HE22 GLN B 37 4.600 18.034 4.130 1.00 0.00 H new ATOM 1603 N THR B 38 3.307 12.822 1.623 1.00 0.00 N ATOM 1604 CA THR B 38 2.916 11.444 1.383 1.00 0.00 C ATOM 1605 C THR B 38 2.025 11.351 0.142 1.00 0.00 C ATOM 1606 O THR B 38 1.478 12.356 -0.310 1.00 0.00 O ATOM 1607 CB THR B 38 2.247 10.914 2.652 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.169 11.236 3.691 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.174 9.386 2.681 1.00 0.00 C ATOM 0 H THR B 38 2.762 13.301 2.340 1.00 0.00 H new ATOM 0 HA THR B 38 3.783 10.818 1.170 1.00 0.00 H new ATOM 0 HB THR B 38 1.242 11.328 2.732 1.00 0.00 H new ATOM 0 HG1 THR B 38 2.813 10.929 4.551 1.00 0.00 H new ATOM 0 HG21 THR B 38 1.690 9.062 3.603 1.00 0.00 H new ATOM 0 HG22 THR B 38 1.598 9.033 1.826 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.182 8.973 2.635 1.00 0.00 H new ATOM 1617 N GLU B 39 1.907 10.136 -0.373 1.00 0.00 N ATOM 1618 CA GLU B 39 1.092 9.899 -1.552 1.00 0.00 C ATOM 1619 C GLU B 39 0.491 8.493 -1.508 1.00 0.00 C ATOM 1620 O GLU B 39 1.116 7.532 -1.954 1.00 0.00 O ATOM 1621 CB GLU B 39 1.905 10.108 -2.832 1.00 0.00 C ATOM 1622 CG GLU B 39 2.048 11.597 -3.153 1.00 0.00 C ATOM 1623 CD GLU B 39 3.384 12.142 -2.644 1.00 0.00 C ATOM 1624 OE1 GLU B 39 4.418 11.732 -3.214 1.00 0.00 O ATOM 1625 OE2 GLU B 39 3.341 12.955 -1.696 1.00 0.00 O ATOM 0 H GLU B 39 2.362 9.305 0.005 1.00 0.00 H new ATOM 0 HA GLU B 39 0.276 10.622 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.892 9.661 -2.717 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.419 9.598 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.976 11.749 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU B 39 1.228 12.151 -2.697 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.715 8.416 -0.965 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.408 7.144 -0.857 1.00 0.00 C ATOM 1634 C VAL B 40 -2.252 6.919 -2.113 1.00 0.00 C ATOM 1635 O VAL B 40 -3.167 7.691 -2.397 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.231 7.104 0.432 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -3.049 5.814 0.520 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.335 7.270 1.660 1.00 0.00 C ATOM 0 H VAL B 40 -1.230 9.215 -0.595 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.693 6.324 -0.795 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.928 7.942 0.411 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.625 5.811 1.445 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.728 5.755 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.377 4.956 0.508 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.945 7.238 2.563 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.603 6.463 1.688 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.817 8.228 1.606 1.00 0.00 H new ATOM 1648 N ILE B 41 -1.915 5.858 -2.832 1.00 0.00 N ATOM 1649 CA ILE B 41 -2.631 5.522 -4.051 1.00 0.00 C ATOM 1650 C ILE B 41 -3.246 4.128 -3.909 1.00 0.00 C ATOM 1651 O ILE B 41 -2.526 3.133 -3.842 1.00 0.00 O ATOM 1652 CB ILE B 41 -1.716 5.670 -5.268 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -0.930 6.981 -5.207 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -2.508 5.536 -6.570 1.00 0.00 C ATOM 1655 CD1 ILE B 41 0.570 6.730 -5.371 1.00 0.00 C ATOM 0 H ILE B 41 -1.156 5.220 -2.594 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.454 6.218 -4.214 1.00 0.00 H new ATOM 0 HB ILE B 41 -0.989 4.858 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -1.277 7.654 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -1.117 7.477 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -1.833 5.645 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -2.983 4.556 -6.608 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.273 6.312 -6.612 1.00 0.00 H new ATOM 0 HD11 ILE B 41 1.105 7.679 -5.324 1.00 0.00 H new ATOM 0 HD12 ILE B 41 0.919 6.076 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE B 41 0.756 6.256 -6.335 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.570 4.101 -3.867 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.289 2.846 -3.734 1.00 0.00 C ATOM 1669 C ALA B 42 -5.835 2.429 -5.101 1.00 0.00 C ATOM 1670 O ALA B 42 -6.350 3.260 -5.848 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.394 2.999 -2.687 1.00 0.00 C ATOM 0 H ALA B 42 -5.164 4.929 -3.923 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.621 2.056 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -6.934 2.057 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -5.952 3.267 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.085 3.782 -2.999 1.00 0.00 H new ATOM 1677 N THR B 43 -5.703 1.142 -5.388 1.00 0.00 N ATOM 1678 CA THR B 43 -6.177 0.604 -6.652 1.00 0.00 C ATOM 1679 C THR B 43 -7.644 0.186 -6.537 1.00 0.00 C ATOM 1680 O THR B 43 -8.060 -0.361 -5.517 1.00 0.00 O ATOM 1681 CB THR B 43 -5.248 -0.542 -7.056 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.032 0.107 -7.418 1.00 0.00 O ATOM 1683 CG2 THR B 43 -5.699 -1.235 -8.344 1.00 0.00 C ATOM 0 H THR B 43 -5.274 0.456 -4.767 1.00 0.00 H new ATOM 0 HA THR B 43 -6.148 1.358 -7.439 1.00 0.00 H new ATOM 0 HB THR B 43 -5.201 -1.272 -6.248 1.00 0.00 H new ATOM 0 HG1 THR B 43 -3.372 -0.564 -7.692 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.005 -2.040 -8.586 1.00 0.00 H new ATOM 0 HG22 THR B 43 -6.699 -1.647 -8.205 1.00 0.00 H new ATOM 0 HG23 THR B 43 -5.715 -0.512 -9.160 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.389 0.460 -7.598 1.00 0.00 N ATOM 1692 CA LEU B 44 -9.801 0.120 -7.629 1.00 0.00 C ATOM 1693 C LEU B 44 -9.968 -1.297 -8.184 1.00 0.00 C ATOM 1694 O LEU B 44 -9.160 -1.749 -8.993 1.00 0.00 O ATOM 1695 CB LEU B 44 -10.591 1.179 -8.401 1.00 0.00 C ATOM 1696 CG LEU B 44 -11.856 1.702 -7.718 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.310 3.023 -8.342 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -12.965 0.648 -7.737 1.00 0.00 C ATOM 0 H LEU B 44 -8.041 0.914 -8.443 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.214 0.119 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.932 2.025 -8.597 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -10.870 0.762 -9.368 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.621 1.904 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.211 3.373 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.521 3.767 -8.233 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -12.522 2.872 -9.400 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -13.853 1.045 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.206 0.392 -8.769 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.628 -0.245 -7.211 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.021 -1.957 -7.725 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.303 -3.313 -8.165 1.00 0.00 C ATOM 1712 C LYS B 45 -11.839 -3.278 -9.598 1.00 0.00 C ATOM 1713 O LYS B 45 -12.060 -4.324 -10.207 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.237 -4.014 -7.176 1.00 0.00 C ATOM 1715 CG LYS B 45 -13.032 -5.124 -7.865 1.00 0.00 C ATOM 1716 CD LYS B 45 -12.103 -6.225 -8.380 1.00 0.00 C ATOM 1717 CE LYS B 45 -12.339 -7.538 -7.630 1.00 0.00 C ATOM 1718 NZ LYS B 45 -12.583 -7.277 -6.193 1.00 0.00 N ATOM 0 H LYS B 45 -11.689 -1.578 -7.053 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.389 -3.907 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.655 -4.434 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -12.923 -3.287 -6.740 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -13.752 -5.549 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -13.602 -4.707 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -12.269 -6.376 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -11.065 -5.915 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -13.193 -8.061 -8.061 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -11.473 -8.190 -7.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -12.262 -8.092 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -12.058 -6.428 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -13.600 -7.127 -6.035 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.034 -2.065 -10.094 1.00 0.00 N ATOM 1733 CA ASN B 46 -12.540 -1.881 -11.443 1.00 0.00 C ATOM 1734 C ASN B 46 -11.370 -1.598 -12.388 1.00 0.00 C ATOM 1735 O ASN B 46 -11.546 -1.559 -13.605 1.00 0.00 O ATOM 1736 CB ASN B 46 -13.502 -0.693 -11.513 1.00 0.00 C ATOM 1737 CG ASN B 46 -13.297 0.103 -12.803 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -12.830 1.334 -12.610 1.00 0.00 O flip ATOM 1739 ND2 ASN B 46 -13.546 -0.368 -13.900 1.00 0.00 N flip ATOM 0 H ASN B 46 -11.851 -1.200 -9.586 1.00 0.00 H new ATOM 0 HA ASN B 46 -13.067 -2.790 -11.732 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -14.531 -1.050 -11.461 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.346 -0.043 -10.652 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.902 -1.321 -13.977 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.398 0.191 -14.740 1.00 0.00 H new ATOM 1746 N GLY B 47 -10.202 -1.407 -11.792 1.00 0.00 N ATOM 1747 CA GLY B 47 -9.004 -1.129 -12.565 1.00 0.00 C ATOM 1748 C GLY B 47 -8.575 0.331 -12.404 1.00 0.00 C ATOM 1749 O GLY B 47 -7.500 0.720 -12.859 1.00 0.00 O ATOM 0 H GLY B 47 -10.060 -1.439 -10.782 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -8.197 -1.787 -12.242 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -9.188 -1.344 -13.618 1.00 0.00 H new ATOM 1753 N GLN B 48 -9.437 1.100 -11.756 1.00 0.00 N ATOM 1754 CA GLN B 48 -9.161 2.509 -11.529 1.00 0.00 C ATOM 1755 C GLN B 48 -8.304 2.686 -10.274 1.00 0.00 C ATOM 1756 O GLN B 48 -7.849 1.707 -9.685 1.00 0.00 O ATOM 1757 CB GLN B 48 -10.458 3.312 -11.426 1.00 0.00 C ATOM 1758 CG GLN B 48 -10.968 3.711 -12.812 1.00 0.00 C ATOM 1759 CD GLN B 48 -12.407 4.227 -12.740 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -13.164 3.906 -11.839 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -12.740 5.042 -13.737 1.00 0.00 N ATOM 0 H GLN B 48 -10.328 0.774 -11.381 1.00 0.00 H new ATOM 0 HA GLN B 48 -8.603 2.892 -12.383 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -11.216 2.721 -10.912 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -10.290 4.206 -10.825 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -10.322 4.482 -13.233 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -10.919 2.853 -13.482 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -12.057 5.270 -14.460 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -13.678 5.439 -13.779 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.111 3.943 -9.901 1.00 0.00 N ATOM 1771 CA LYS B 49 -7.317 4.262 -8.726 1.00 0.00 C ATOM 1772 C LYS B 49 -7.914 5.486 -8.030 1.00 0.00 C ATOM 1773 O LYS B 49 -8.422 6.393 -8.688 1.00 0.00 O ATOM 1774 CB LYS B 49 -5.844 4.426 -9.104 1.00 0.00 C ATOM 1775 CG LYS B 49 -5.327 3.193 -9.847 1.00 0.00 C ATOM 1776 CD LYS B 49 -3.800 3.207 -9.938 1.00 0.00 C ATOM 1777 CE LYS B 49 -3.287 2.010 -10.741 1.00 0.00 C ATOM 1778 NZ LYS B 49 -2.037 2.359 -11.451 1.00 0.00 N ATOM 0 H LYS B 49 -8.491 4.753 -10.392 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.349 3.441 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -5.722 5.310 -9.730 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.250 4.588 -8.205 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.656 2.290 -9.333 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -5.754 3.163 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -3.469 4.133 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -3.372 3.187 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -3.110 1.166 -10.074 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.044 1.695 -11.459 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -1.703 1.535 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -2.217 3.150 -12.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -1.311 2.638 -10.760 1.00 0.00 H new ATOM 1792 N ALA B 50 -7.833 5.474 -6.708 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.359 6.572 -5.915 1.00 0.00 C ATOM 1794 C ALA B 50 -7.324 6.978 -4.864 1.00 0.00 C ATOM 1795 O ALA B 50 -7.029 6.210 -3.949 1.00 0.00 O ATOM 1796 CB ALA B 50 -9.693 6.158 -5.290 1.00 0.00 C ATOM 0 H ALA B 50 -7.411 4.721 -6.165 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.550 7.442 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.087 6.982 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.402 5.908 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.541 5.289 -4.650 1.00 0.00 H new ATOM 1802 N CYS B 51 -6.800 8.184 -5.030 1.00 0.00 N ATOM 1803 CA CYS B 51 -5.804 8.701 -4.107 1.00 0.00 C ATOM 1804 C CYS B 51 -6.484 8.957 -2.761 1.00 0.00 C ATOM 1805 O CYS B 51 -7.601 9.471 -2.713 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.126 9.959 -4.653 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.719 9.645 -5.780 1.00 0.00 S ATOM 0 H CYS B 51 -7.047 8.818 -5.790 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.009 7.967 -3.977 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -5.870 10.556 -5.181 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -4.774 10.558 -3.813 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.782 8.588 -1.699 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.304 8.772 -0.356 1.00 0.00 C ATOM 1814 C LEU B 52 -5.571 9.935 0.317 1.00 0.00 C ATOM 1815 O LEU B 52 -4.502 10.343 -0.134 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.232 7.462 0.431 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.055 6.299 -0.126 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.604 4.968 0.480 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.552 6.541 0.072 1.00 0.00 C ATOM 0 H LEU B 52 -4.856 8.162 -1.742 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.360 9.038 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.189 7.150 0.484 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.559 7.656 1.452 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.878 6.240 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.205 4.158 0.067 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.554 4.798 0.243 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.731 4.999 1.562 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.113 5.699 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.767 6.642 1.136 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.844 7.455 -0.446 1.00 0.00 H new ATOM 1831 N ASN B 53 -6.176 10.435 1.384 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.594 11.543 2.123 1.00 0.00 C ATOM 1833 C ASN B 53 -4.742 10.993 3.270 1.00 0.00 C ATOM 1834 O ASN B 53 -5.271 10.419 4.220 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.681 12.434 2.727 1.00 0.00 C ATOM 1836 CG ASN B 53 -6.149 13.844 2.993 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -5.494 14.455 2.165 1.00 0.00 O ATOM 1838 ND2 ASN B 53 -6.465 14.323 4.193 1.00 0.00 N ATOM 0 H ASN B 53 -7.063 10.094 1.755 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.990 12.130 1.431 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.533 12.485 2.049 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.040 11.995 3.658 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -6.156 15.255 4.468 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.017 13.758 4.839 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.404 11.195 3.140 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.474 10.726 4.154 1.00 0.00 C ATOM 1847 C PRO B 54 -2.523 11.618 5.396 1.00 0.00 C ATOM 1848 O PRO B 54 -1.484 12.038 5.904 1.00 0.00 O ATOM 1849 CB PRO B 54 -1.115 10.729 3.473 1.00 0.00 C ATOM 1850 CG PRO B 54 -1.259 11.634 2.260 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.742 11.871 2.028 1.00 0.00 C ATOM 0 HA PRO B 54 -2.718 9.729 4.521 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.342 11.098 4.146 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.825 9.721 3.176 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.743 12.580 2.426 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.805 11.172 1.383 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.976 12.936 2.016 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -3.063 11.463 1.069 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.740 11.882 5.849 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.937 12.716 7.022 1.00 0.00 C ATOM 1861 C ALA B 55 -5.387 12.591 7.493 1.00 0.00 C ATOM 1862 O ALA B 55 -5.954 13.542 8.030 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.554 14.160 6.692 1.00 0.00 C ATOM 0 H ALA B 55 -4.599 11.533 5.425 1.00 0.00 H new ATOM 0 HA ALA B 55 -3.295 12.387 7.839 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.702 14.786 7.572 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.507 14.199 6.391 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -4.180 14.525 5.878 1.00 0.00 H new ATOM 1869 N SER B 56 -5.947 11.410 7.275 1.00 0.00 N ATOM 1870 CA SER B 56 -7.321 11.149 7.671 1.00 0.00 C ATOM 1871 C SER B 56 -7.372 9.954 8.625 1.00 0.00 C ATOM 1872 O SER B 56 -6.555 9.040 8.526 1.00 0.00 O ATOM 1873 CB SER B 56 -8.206 10.891 6.450 1.00 0.00 C ATOM 1874 OG SER B 56 -9.359 10.121 6.779 1.00 0.00 O ATOM 0 H SER B 56 -5.475 10.623 6.829 1.00 0.00 H new ATOM 0 HA SER B 56 -7.703 12.032 8.183 1.00 0.00 H new ATOM 0 HB2 SER B 56 -8.517 11.843 6.020 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.628 10.370 5.687 1.00 0.00 H new ATOM 0 HG SER B 56 -9.862 9.920 5.962 1.00 0.00 H new ATOM 1880 N PRO B 57 -8.366 10.001 9.552 1.00 0.00 N ATOM 1881 CA PRO B 57 -8.535 8.933 10.523 1.00 0.00 C ATOM 1882 C PRO B 57 -9.152 7.693 9.873 1.00 0.00 C ATOM 1883 O PRO B 57 -9.067 6.594 10.419 1.00 0.00 O ATOM 1884 CB PRO B 57 -9.410 9.529 11.614 1.00 0.00 C ATOM 1885 CG PRO B 57 -10.079 10.745 10.995 1.00 0.00 C ATOM 1886 CD PRO B 57 -9.353 11.067 9.699 1.00 0.00 C ATOM 0 HA PRO B 57 -7.588 8.585 10.935 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.152 8.808 11.957 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -8.814 9.811 12.482 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -11.133 10.544 10.802 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.036 11.594 11.678 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -10.042 11.088 8.854 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -8.875 12.046 9.745 1.00 0.00 H new ATOM 1894 N MET B 58 -9.759 7.910 8.716 1.00 0.00 N ATOM 1895 CA MET B 58 -10.390 6.824 7.986 1.00 0.00 C ATOM 1896 C MET B 58 -9.403 6.170 7.016 1.00 0.00 C ATOM 1897 O MET B 58 -9.551 4.998 6.671 1.00 0.00 O ATOM 1898 CB MET B 58 -11.591 7.362 7.206 1.00 0.00 C ATOM 1899 CG MET B 58 -12.578 6.241 6.876 1.00 0.00 C ATOM 1900 SD MET B 58 -13.198 5.510 8.381 1.00 0.00 S ATOM 1901 CE MET B 58 -13.688 6.984 9.262 1.00 0.00 C ATOM 0 H MET B 58 -9.827 8.823 8.266 1.00 0.00 H new ATOM 0 HA MET B 58 -10.719 6.072 8.703 1.00 0.00 H new ATOM 0 HB2 MET B 58 -12.093 8.133 7.791 1.00 0.00 H new ATOM 0 HB3 MET B 58 -11.249 7.833 6.284 1.00 0.00 H new ATOM 0 HG2 MET B 58 -13.405 6.636 6.286 1.00 0.00 H new ATOM 0 HG3 MET B 58 -12.087 5.481 6.268 1.00 0.00 H new ATOM 0 HE1 MET B 58 -14.455 6.732 9.994 1.00 0.00 H new ATOM 0 HE2 MET B 58 -12.823 7.407 9.773 1.00 0.00 H new ATOM 0 HE3 MET B 58 -14.086 7.714 8.557 1.00 0.00 H new ATOM 1911 N VAL B 59 -8.419 6.955 6.604 1.00 0.00 N ATOM 1912 CA VAL B 59 -7.409 6.466 5.681 1.00 0.00 C ATOM 1913 C VAL B 59 -6.510 5.460 6.402 1.00 0.00 C ATOM 1914 O VAL B 59 -5.783 4.702 5.762 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.632 7.642 5.085 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -5.218 7.218 4.682 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.382 8.249 3.898 1.00 0.00 C ATOM 0 H VAL B 59 -8.299 7.926 6.892 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.876 5.945 4.845 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.544 8.410 5.854 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -4.688 8.073 4.261 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.683 6.855 5.560 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.275 6.424 3.937 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -6.808 9.083 3.493 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.515 7.491 3.126 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.357 8.606 4.228 1.00 0.00 H new ATOM 1927 N LYS B 60 -6.588 5.486 7.724 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.791 4.585 8.539 1.00 0.00 C ATOM 1929 C LYS B 60 -6.625 3.353 8.895 1.00 0.00 C ATOM 1930 O LYS B 60 -6.172 2.486 9.641 1.00 0.00 O ATOM 1931 CB LYS B 60 -5.228 5.320 9.757 1.00 0.00 C ATOM 1932 CG LYS B 60 -4.604 6.657 9.351 1.00 0.00 C ATOM 1933 CD LYS B 60 -3.340 6.441 8.516 1.00 0.00 C ATOM 1934 CE LYS B 60 -2.140 6.125 9.410 1.00 0.00 C ATOM 1935 NZ LYS B 60 -1.603 7.365 10.014 1.00 0.00 N ATOM 0 H LYS B 60 -7.191 6.117 8.251 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.924 4.232 7.980 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.023 5.491 10.482 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.478 4.699 10.247 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.326 7.241 8.780 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.361 7.235 10.243 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.500 5.623 7.813 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.133 7.333 7.925 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.437 5.430 10.195 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.363 5.632 8.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.721 7.150 10.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.412 8.061 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.299 7.756 10.681 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.830 3.314 8.346 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.732 2.203 8.597 1.00 0.00 C ATOM 1951 C LYS B 61 -9.031 1.487 7.278 1.00 0.00 C ATOM 1952 O LYS B 61 -9.514 0.356 7.277 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.983 2.684 9.333 1.00 0.00 C ATOM 1954 CG LYS B 61 -9.622 3.288 10.692 1.00 0.00 C ATOM 1955 CD LYS B 61 -10.531 2.740 11.794 1.00 0.00 C ATOM 1956 CE LYS B 61 -10.173 3.348 13.152 1.00 0.00 C ATOM 1957 NZ LYS B 61 -11.137 2.911 14.186 1.00 0.00 N ATOM 0 H LYS B 61 -8.203 4.035 7.728 1.00 0.00 H new ATOM 0 HA LYS B 61 -8.263 1.473 9.257 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -10.502 3.427 8.727 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -10.670 1.850 9.473 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -8.582 3.064 10.929 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -9.712 4.373 10.647 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -11.571 2.961 11.556 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -10.438 1.655 11.841 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -9.164 3.048 13.437 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -10.174 4.436 13.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -10.879 3.333 15.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -12.094 3.219 13.920 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -11.116 1.874 14.264 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.733 2.176 6.186 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.964 1.621 4.864 1.00 0.00 C ATOM 1973 C ILE B 62 -7.718 0.858 4.411 1.00 0.00 C ATOM 1974 O ILE B 62 -7.779 0.059 3.478 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.401 2.717 3.891 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.640 3.450 4.411 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.619 2.150 2.487 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -10.678 4.892 3.902 1.00 0.00 C ATOM 0 H ILE B 62 -8.333 3.114 6.190 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.785 0.905 4.890 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.598 3.450 3.821 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.539 2.924 4.091 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.639 3.445 5.501 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -9.929 2.951 1.815 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -8.690 1.711 2.124 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.394 1.384 2.520 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.568 5.390 4.286 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -9.789 5.422 4.244 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -10.704 4.893 2.812 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.615 1.131 5.093 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.356 0.481 4.772 1.00 0.00 C ATOM 1992 C ILE B 63 -5.183 -0.753 5.661 1.00 0.00 C ATOM 1993 O ILE B 63 -5.021 -1.865 5.161 1.00 0.00 O ATOM 1994 CB ILE B 63 -4.198 1.476 4.870 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.182 2.419 3.665 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.864 0.750 5.047 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.563 3.769 4.033 1.00 0.00 C ATOM 0 H ILE B 63 -6.567 1.794 5.867 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.360 0.133 3.739 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.350 2.090 5.758 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.616 1.965 2.851 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.199 2.568 3.302 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.058 1.481 5.114 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.892 0.156 5.960 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.690 0.095 4.193 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.564 4.420 3.159 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -4.145 4.231 4.830 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.538 3.619 4.372 1.00 0.00 H new ATOM 2009 N GLU B 64 -5.224 -0.514 6.964 1.00 0.00 N ATOM 2010 CA GLU B 64 -5.074 -1.592 7.927 1.00 0.00 C ATOM 2011 C GLU B 64 -6.101 -2.694 7.655 1.00 0.00 C ATOM 2012 O GLU B 64 -5.823 -3.872 7.871 1.00 0.00 O ATOM 2013 CB GLU B 64 -5.198 -1.068 9.359 1.00 0.00 C ATOM 2014 CG GLU B 64 -4.061 -0.100 9.689 1.00 0.00 C ATOM 2015 CD GLU B 64 -4.440 0.813 10.857 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -5.334 0.405 11.629 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -3.827 1.899 10.951 1.00 0.00 O ATOM 0 H GLU B 64 -5.359 0.410 7.375 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.076 -2.017 7.815 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -6.157 -0.565 9.484 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.183 -1.904 10.058 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -3.161 -0.662 9.939 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.826 0.504 8.812 1.00 0.00 H new ATOM 2024 N LYS B 65 -7.265 -2.271 7.184 1.00 0.00 N ATOM 2025 CA LYS B 65 -8.334 -3.207 6.880 1.00 0.00 C ATOM 2026 C LYS B 65 -8.043 -3.889 5.542 1.00 0.00 C ATOM 2027 O LYS B 65 -8.491 -5.010 5.303 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.692 -2.503 6.929 1.00 0.00 C ATOM 2029 CG LYS B 65 -9.980 -1.775 5.615 1.00 0.00 C ATOM 2030 CD LYS B 65 -11.364 -1.124 5.641 1.00 0.00 C ATOM 2031 CE LYS B 65 -12.458 -2.171 5.857 1.00 0.00 C ATOM 2032 NZ LYS B 65 -13.113 -1.973 7.169 1.00 0.00 N ATOM 0 H LYS B 65 -7.491 -1.293 7.005 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.380 -3.992 7.635 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -10.477 -3.233 7.124 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.707 -1.791 7.754 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -9.219 -1.014 5.443 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -9.921 -2.479 4.785 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.405 -0.380 6.437 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -11.540 -0.597 4.703 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -13.198 -2.102 5.060 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -12.028 -3.171 5.806 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -13.853 -2.692 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -12.406 -2.062 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -13.541 -1.026 7.204 1.00 0.00 H new ATOM 2046 N MET B 66 -7.294 -3.186 4.705 1.00 0.00 N ATOM 2047 CA MET B 66 -6.939 -3.710 3.398 1.00 0.00 C ATOM 2048 C MET B 66 -5.960 -4.880 3.524 1.00 0.00 C ATOM 2049 O MET B 66 -6.044 -5.848 2.770 1.00 0.00 O ATOM 2050 CB MET B 66 -6.303 -2.600 2.558 1.00 0.00 C ATOM 2051 CG MET B 66 -7.180 -2.253 1.354 1.00 0.00 C ATOM 2052 SD MET B 66 -7.488 -3.717 0.380 1.00 0.00 S ATOM 2053 CE MET B 66 -5.889 -3.920 -0.388 1.00 0.00 C ATOM 0 H MET B 66 -6.923 -2.258 4.907 1.00 0.00 H new ATOM 0 HA MET B 66 -7.846 -4.070 2.913 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.156 -1.712 3.173 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.318 -2.917 2.216 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.124 -1.826 1.692 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.689 -1.496 0.742 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.997 -4.500 -1.304 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.472 -2.941 -0.625 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.220 -4.443 0.296 1.00 0.00 H new ATOM 2063 N LEU B 67 -5.055 -4.751 4.483 1.00 0.00 N ATOM 2064 CA LEU B 67 -4.062 -5.786 4.717 1.00 0.00 C ATOM 2065 C LEU B 67 -4.739 -7.003 5.351 1.00 0.00 C ATOM 2066 O LEU B 67 -4.168 -8.092 5.375 1.00 0.00 O ATOM 2067 CB LEU B 67 -2.896 -5.233 5.540 1.00 0.00 C ATOM 2068 CG LEU B 67 -1.887 -4.371 4.778 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.577 -3.181 4.108 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.743 -3.929 5.693 1.00 0.00 C ATOM 0 H LEU B 67 -4.988 -3.946 5.106 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.628 -6.118 3.774 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.304 -4.641 6.359 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.363 -6.072 5.987 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.450 -4.978 3.985 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.837 -2.585 3.574 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.327 -3.544 3.405 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.059 -2.565 4.867 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -0.040 -3.318 5.127 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.145 -3.346 6.522 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.228 -4.807 6.082 1.00 0.00 H new ATOM 2082 N LYS B 68 -5.946 -6.776 5.848 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.706 -7.841 6.480 1.00 0.00 C ATOM 2084 C LYS B 68 -7.797 -8.321 5.521 1.00 0.00 C ATOM 2085 O LYS B 68 -8.169 -9.494 5.535 1.00 0.00 O ATOM 2086 CB LYS B 68 -7.240 -7.384 7.839 1.00 0.00 C ATOM 2087 CG LYS B 68 -6.332 -7.861 8.974 1.00 0.00 C ATOM 2088 CD LYS B 68 -6.927 -9.084 9.675 1.00 0.00 C ATOM 2089 CE LYS B 68 -5.827 -10.044 10.131 1.00 0.00 C ATOM 2090 NZ LYS B 68 -6.192 -11.441 9.809 1.00 0.00 N ATOM 0 H LYS B 68 -6.416 -5.871 5.826 1.00 0.00 H new ATOM 0 HA LYS B 68 -6.063 -8.697 6.687 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -7.312 -6.297 7.858 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -8.248 -7.772 7.987 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -5.347 -8.108 8.577 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -6.192 -7.056 9.695 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -7.515 -8.764 10.535 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -7.608 -9.600 8.998 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -4.886 -9.786 9.644 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -5.669 -9.941 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -5.434 -12.079 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -7.078 -11.689 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -6.320 -11.538 8.782 1.00 0.00 H new ATOM 2104 N ASN B 69 -8.278 -7.391 4.709 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.319 -7.705 3.744 1.00 0.00 C ATOM 2106 C ASN B 69 -10.571 -8.175 4.487 1.00 0.00 C ATOM 2107 O ASN B 69 -11.518 -7.409 4.662 1.00 0.00 O ATOM 2108 CB ASN B 69 -8.877 -8.828 2.804 1.00 0.00 C ATOM 2109 CG ASN B 69 -10.049 -9.324 1.954 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -10.791 -8.556 1.365 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -10.173 -10.648 1.924 1.00 0.00 N ATOM 0 H ASN B 69 -7.966 -6.420 4.699 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.522 -6.806 3.162 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -8.078 -8.470 2.155 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.469 -9.655 3.386 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -10.924 -11.078 1.384 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.517 -11.234 2.441 1.00 0.00 H new