USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1228 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 Single : A 7 HIS : no HD1:sc= 0.872 K(o=0.87,f=-3.7!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= -0.24 (180deg=-1.34) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 38 THR OG1 : rot -79:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0816) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 150:sc= -0.532 USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0094) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.0739 (180deg=-0.369) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.0255 (180deg=-0.162) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.0192 K(o=-0.019,f=-1.1) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 37:sc= 1.16 USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -1.89! (180deg=-3.25!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.971 K(o=0.97,f=-4.7!) USER MOD Single : A 89 THR OG1 : rot -46:sc= 0.829 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : B 7 HIS : no HD1:sc= 0.898 K(o=0.9,f=-3.7!) USER MOD Single : B 13 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -124:sc= -0.247 (180deg=-1.35) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 38 THR OG1 : rot -74:sc= 1.13 USER MOD Single : B 39 LYS NZ :NH3+ -172:sc=-0.00815 (180deg=-0.084) USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 44 THR OG1 : rot 150:sc= -0.559 USER MOD Single : B 46 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0036) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 49 LYS NZ :NH3+ -162:sc= -0.0579 (180deg=-0.388) USER MOD Single : B 51 LYS NZ :NH3+ -169:sc= -0.0205 (180deg=-0.16) USER MOD Single : B 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 SER OG : rot 50:sc= 1.18 USER MOD Single : B 83 LYS NZ :NH3+ -165:sc= -2.07! (180deg=-3.32!) USER MOD Single : B 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 1.08 K(o=1.1,f=-4.8!) USER MOD Single : B 89 THR OG1 : rot -43:sc= 0.804 USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -3.230 7.808 10.814 1.00 1.20 N ATOM 76 CA GLU A 5 -2.582 7.497 9.549 1.00 0.93 C ATOM 77 C GLU A 5 -1.477 6.475 9.761 1.00 0.69 C ATOM 78 O GLU A 5 -0.635 6.280 8.894 1.00 0.68 O ATOM 79 CB GLU A 5 -1.978 8.751 8.913 1.00 1.39 C ATOM 80 CG GLU A 5 -2.974 9.862 8.641 1.00 1.80 C ATOM 81 CD GLU A 5 -2.349 11.011 7.881 1.00 2.48 C ATOM 82 OE1 GLU A 5 -1.623 11.820 8.506 1.00 3.00 O ATOM 83 OE2 GLU A 5 -2.570 11.110 6.658 1.00 3.10 O ATOM 0 HA GLU A 5 -3.342 7.091 8.882 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -1.196 9.134 9.568 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -1.499 8.472 7.974 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -3.814 9.464 8.071 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -3.375 10.228 9.586 1.00 1.80 H new ATOM 90 N GLU A 6 -1.500 5.813 10.913 1.00 0.68 N ATOM 91 CA GLU A 6 -0.410 4.928 11.319 1.00 0.67 C ATOM 92 C GLU A 6 -0.140 3.851 10.263 1.00 0.54 C ATOM 93 O GLU A 6 1.003 3.485 10.021 1.00 0.60 O ATOM 94 CB GLU A 6 -0.738 4.293 12.675 1.00 0.78 C ATOM 95 CG GLU A 6 0.483 3.933 13.515 1.00 1.07 C ATOM 96 CD GLU A 6 1.295 2.790 12.943 1.00 1.79 C ATOM 97 OE1 GLU A 6 0.772 1.662 12.888 1.00 2.48 O ATOM 98 OE2 GLU A 6 2.467 3.007 12.566 1.00 2.51 O ATOM 0 H GLU A 6 -2.264 5.872 11.586 1.00 0.68 H new ATOM 0 HA GLU A 6 0.499 5.522 11.414 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -1.364 4.981 13.243 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -1.327 3.391 12.507 1.00 0.78 H new ATOM 0 HG2 GLU A 6 1.122 4.811 13.608 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.157 3.669 14.521 1.00 1.07 H new ATOM 105 N HIS A 7 -1.186 3.369 9.610 1.00 0.42 N ATOM 106 CA HIS A 7 -1.017 2.348 8.586 1.00 0.38 C ATOM 107 C HIS A 7 -0.338 2.925 7.340 1.00 0.35 C ATOM 108 O HIS A 7 0.735 2.468 6.953 1.00 0.39 O ATOM 109 CB HIS A 7 -2.360 1.696 8.233 1.00 0.43 C ATOM 110 CG HIS A 7 -2.799 0.656 9.227 1.00 0.95 C ATOM 111 ND1 HIS A 7 -4.072 0.596 9.758 1.00 1.73 N ATOM 112 CD2 HIS A 7 -2.120 -0.381 9.777 1.00 1.60 C ATOM 113 CE1 HIS A 7 -4.149 -0.429 10.592 1.00 2.16 C ATOM 114 NE2 HIS A 7 -2.979 -1.037 10.620 1.00 2.03 N ATOM 0 H HIS A 7 -2.150 3.663 9.767 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.366 1.573 8.990 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -3.125 2.470 8.166 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -2.285 1.237 7.247 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -1.090 -0.642 9.586 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -5.024 -0.719 11.155 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -2.751 -1.860 11.177 1.00 2.03 H new ATOM 123 N LEU A 8 -0.945 3.946 6.744 1.00 0.34 N ATOM 124 CA LEU A 8 -0.413 4.559 5.522 1.00 0.32 C ATOM 125 C LEU A 8 0.861 5.339 5.803 1.00 0.33 C ATOM 126 O LEU A 8 1.933 5.023 5.287 1.00 0.33 O ATOM 127 CB LEU A 8 -1.443 5.509 4.930 1.00 0.33 C ATOM 128 CG LEU A 8 -2.789 4.872 4.602 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.733 5.908 4.043 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.617 3.719 3.625 1.00 0.33 C ATOM 0 H LEU A 8 -1.808 4.370 7.085 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.188 3.756 4.820 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.606 6.328 5.631 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.032 5.946 4.020 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.216 4.473 5.522 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.691 5.441 3.813 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -3.882 6.699 4.778 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.309 6.334 3.134 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.590 3.280 3.406 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.169 4.088 2.702 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.969 2.962 4.066 1.00 0.33 H new ATOM 142 N GLU A 9 0.739 6.344 6.652 1.00 0.37 N ATOM 143 CA GLU A 9 1.840 7.241 6.939 1.00 0.40 C ATOM 144 C GLU A 9 2.908 6.505 7.736 1.00 0.40 C ATOM 145 O GLU A 9 4.068 6.880 7.717 1.00 0.42 O ATOM 146 CB GLU A 9 1.321 8.474 7.689 1.00 0.47 C ATOM 147 CG GLU A 9 2.266 9.668 7.684 1.00 1.24 C ATOM 148 CD GLU A 9 3.360 9.571 8.727 1.00 1.72 C ATOM 149 OE1 GLU A 9 3.038 9.300 9.904 1.00 2.41 O ATOM 150 OE2 GLU A 9 4.539 9.794 8.382 1.00 2.17 O ATOM 0 H GLU A 9 -0.120 6.559 7.158 1.00 0.37 H new ATOM 0 HA GLU A 9 2.293 7.582 6.008 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.372 8.778 7.248 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.117 8.194 8.722 1.00 0.47 H new ATOM 0 HG2 GLU A 9 2.721 9.758 6.698 1.00 1.24 H new ATOM 0 HG3 GLU A 9 1.691 10.578 7.854 1.00 1.24 H new ATOM 157 N GLY A 10 2.510 5.439 8.421 1.00 0.40 N ATOM 158 CA GLY A 10 3.473 4.608 9.109 1.00 0.43 C ATOM 159 C GLY A 10 4.410 3.915 8.145 1.00 0.39 C ATOM 160 O GLY A 10 5.613 3.868 8.376 1.00 0.44 O ATOM 0 H GLY A 10 1.540 5.138 8.511 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.052 5.220 9.801 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.948 3.862 9.705 1.00 0.43 H new ATOM 164 N ILE A 11 3.861 3.384 7.054 1.00 0.34 N ATOM 165 CA ILE A 11 4.681 2.760 6.021 1.00 0.33 C ATOM 166 C ILE A 11 5.572 3.807 5.355 1.00 0.33 C ATOM 167 O ILE A 11 6.752 3.567 5.093 1.00 0.38 O ATOM 168 CB ILE A 11 3.813 2.054 4.955 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.003 0.926 5.598 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.680 1.510 3.830 1.00 0.50 C ATOM 171 CD1 ILE A 11 2.049 0.238 4.648 1.00 1.16 C ATOM 0 H ILE A 11 2.859 3.374 6.864 1.00 0.34 H new ATOM 0 HA ILE A 11 5.303 2.005 6.502 1.00 0.33 H new ATOM 0 HB ILE A 11 3.124 2.784 4.531 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.691 0.185 6.006 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.436 1.331 6.436 1.00 0.41 H new ATOM 0 HG21 ILE A 11 4.049 1.017 3.090 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.220 2.331 3.357 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.393 0.792 4.235 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.512 -0.549 5.178 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.336 0.965 4.258 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.610 -0.199 3.822 1.00 1.16 H new ATOM 183 N VAL A 12 4.993 4.975 5.107 1.00 0.33 N ATOM 184 CA VAL A 12 5.736 6.112 4.574 1.00 0.38 C ATOM 185 C VAL A 12 6.877 6.493 5.520 1.00 0.40 C ATOM 186 O VAL A 12 7.998 6.762 5.089 1.00 0.45 O ATOM 187 CB VAL A 12 4.797 7.314 4.362 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.569 8.557 3.956 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.761 6.966 3.309 1.00 0.48 C ATOM 0 H VAL A 12 4.003 5.161 5.268 1.00 0.33 H new ATOM 0 HA VAL A 12 6.161 5.827 3.611 1.00 0.38 H new ATOM 0 HB VAL A 12 4.298 7.533 5.306 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.876 9.386 3.815 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.285 8.812 4.737 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.101 8.366 3.024 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.096 7.816 3.158 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.262 6.726 2.371 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.180 6.105 3.640 1.00 0.48 H new ATOM 199 N ASN A 13 6.575 6.485 6.812 1.00 0.42 N ATOM 200 CA ASN A 13 7.548 6.776 7.856 1.00 0.48 C ATOM 201 C ASN A 13 8.672 5.746 7.858 1.00 0.48 C ATOM 202 O ASN A 13 9.832 6.084 8.090 1.00 0.58 O ATOM 203 CB ASN A 13 6.854 6.798 9.223 1.00 0.61 C ATOM 204 CG ASN A 13 7.821 6.977 10.378 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.342 6.004 10.921 1.00 1.31 O ATOM 206 ND2 ASN A 13 8.048 8.216 10.778 1.00 1.42 N ATOM 0 H ASN A 13 5.642 6.275 7.167 1.00 0.42 H new ATOM 0 HA ASN A 13 7.984 7.755 7.656 1.00 0.48 H new ATOM 0 HB2 ASN A 13 6.123 7.607 9.240 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.303 5.868 9.359 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.675 8.392 11.563 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.597 8.997 10.301 1.00 1.42 H new ATOM 213 N ILE A 14 8.322 4.492 7.593 1.00 0.47 N ATOM 214 CA ILE A 14 9.306 3.419 7.527 1.00 0.57 C ATOM 215 C ILE A 14 10.319 3.691 6.418 1.00 0.53 C ATOM 216 O ILE A 14 11.529 3.611 6.639 1.00 0.60 O ATOM 217 CB ILE A 14 8.638 2.040 7.301 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.715 1.690 8.472 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.687 0.953 7.116 1.00 1.14 C ATOM 220 CD1 ILE A 14 8.417 1.629 9.814 1.00 2.06 C ATOM 0 H ILE A 14 7.362 4.194 7.420 1.00 0.47 H new ATOM 0 HA ILE A 14 9.820 3.391 8.488 1.00 0.57 H new ATOM 0 HB ILE A 14 8.041 2.100 6.391 1.00 0.68 H new ATOM 0 HG12 ILE A 14 6.916 2.429 8.525 1.00 1.33 H new ATOM 0 HG13 ILE A 14 7.245 0.726 8.275 1.00 1.33 H new ATOM 0 HG21 ILE A 14 9.193 -0.006 6.959 1.00 1.14 H new ATOM 0 HG22 ILE A 14 10.306 1.188 6.250 1.00 1.14 H new ATOM 0 HG23 ILE A 14 10.314 0.897 8.006 1.00 1.14 H new ATOM 0 HD11 ILE A 14 7.696 1.376 10.591 1.00 2.06 H new ATOM 0 HD12 ILE A 14 9.198 0.869 9.782 1.00 2.06 H new ATOM 0 HD13 ILE A 14 8.863 2.598 10.036 1.00 2.06 H new ATOM 232 N PHE A 15 9.830 4.048 5.234 1.00 0.48 N ATOM 233 CA PHE A 15 10.721 4.360 4.122 1.00 0.58 C ATOM 234 C PHE A 15 11.474 5.652 4.415 1.00 0.60 C ATOM 235 O PHE A 15 12.646 5.787 4.087 1.00 0.70 O ATOM 236 CB PHE A 15 9.937 4.482 2.815 1.00 0.68 C ATOM 237 CG PHE A 15 10.810 4.538 1.590 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.602 3.455 1.238 1.00 1.74 C ATOM 239 CD2 PHE A 15 10.835 5.668 0.790 1.00 1.93 C ATOM 240 CE1 PHE A 15 12.403 3.501 0.113 1.00 2.35 C ATOM 241 CE2 PHE A 15 11.634 5.718 -0.337 1.00 2.54 C ATOM 242 CZ PHE A 15 12.418 4.634 -0.676 1.00 2.57 C ATOM 0 H PHE A 15 8.836 4.128 5.021 1.00 0.48 H new ATOM 0 HA PHE A 15 11.438 3.547 4.008 1.00 0.58 H new ATOM 0 HB2 PHE A 15 9.258 3.634 2.728 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.321 5.381 2.853 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.592 2.565 1.850 1.00 1.74 H new ATOM 0 HD2 PHE A 15 10.224 6.520 1.049 1.00 1.93 H new ATOM 0 HE1 PHE A 15 13.017 2.652 -0.149 1.00 2.35 H new ATOM 0 HE2 PHE A 15 11.645 6.606 -0.952 1.00 2.54 H new ATOM 0 HZ PHE A 15 13.042 4.672 -1.557 1.00 2.57 H new ATOM 252 N HIS A 16 10.784 6.580 5.065 1.00 0.59 N ATOM 253 CA HIS A 16 11.364 7.855 5.481 1.00 0.71 C ATOM 254 C HIS A 16 12.508 7.642 6.476 1.00 0.75 C ATOM 255 O HIS A 16 13.389 8.489 6.616 1.00 0.88 O ATOM 256 CB HIS A 16 10.264 8.719 6.110 1.00 0.77 C ATOM 257 CG HIS A 16 10.727 10.033 6.659 1.00 1.15 C ATOM 258 ND1 HIS A 16 10.853 10.278 8.012 1.00 1.82 N ATOM 259 CD2 HIS A 16 11.064 11.183 6.036 1.00 1.84 C ATOM 260 CE1 HIS A 16 11.246 11.524 8.193 1.00 2.22 C ATOM 261 NE2 HIS A 16 11.381 12.092 7.012 1.00 2.23 N ATOM 0 H HIS A 16 9.803 6.471 5.321 1.00 0.59 H new ATOM 0 HA HIS A 16 11.777 8.360 4.608 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.496 8.906 5.359 1.00 0.77 H new ATOM 0 HB3 HIS A 16 9.793 8.153 6.913 1.00 0.77 H new ATOM 0 HD2 HIS A 16 11.081 11.354 4.970 1.00 1.84 H new ATOM 0 HE1 HIS A 16 11.426 11.998 9.147 1.00 2.22 H new ATOM 0 HE2 HIS A 16 11.675 13.055 6.850 1.00 2.23 H new ATOM 270 N GLN A 17 12.475 6.514 7.167 1.00 0.69 N ATOM 271 CA GLN A 17 13.492 6.183 8.153 1.00 0.81 C ATOM 272 C GLN A 17 14.757 5.661 7.478 1.00 0.93 C ATOM 273 O GLN A 17 15.835 6.239 7.628 1.00 1.18 O ATOM 274 CB GLN A 17 12.951 5.140 9.134 1.00 0.85 C ATOM 275 CG GLN A 17 13.981 4.649 10.137 1.00 1.27 C ATOM 276 CD GLN A 17 13.449 3.545 11.026 1.00 1.99 C ATOM 277 OE1 GLN A 17 12.261 3.498 11.338 1.00 2.60 O ATOM 278 NE2 GLN A 17 14.322 2.643 11.437 1.00 2.77 N ATOM 0 H GLN A 17 11.748 5.806 7.062 1.00 0.69 H new ATOM 0 HA GLN A 17 13.747 7.091 8.700 1.00 0.81 H new ATOM 0 HB2 GLN A 17 12.106 5.567 9.674 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.571 4.288 8.571 1.00 0.85 H new ATOM 0 HG2 GLN A 17 14.860 4.288 9.602 1.00 1.27 H new ATOM 0 HG3 GLN A 17 14.306 5.485 10.757 1.00 1.27 H new ATOM 0 HE21 GLN A 17 15.300 2.715 11.157 1.00 2.77 H new ATOM 0 HE22 GLN A 17 14.018 1.874 12.034 1.00 2.77 H new ATOM 452 N LEU A 28 17.971 6.155 -2.470 1.00 1.14 N ATOM 453 CA LEU A 28 16.758 5.374 -2.710 1.00 0.90 C ATOM 454 C LEU A 28 17.068 4.135 -3.544 1.00 0.71 C ATOM 455 O LEU A 28 16.352 3.811 -4.482 1.00 0.76 O ATOM 456 CB LEU A 28 15.695 6.221 -3.426 1.00 1.66 C ATOM 457 CG LEU A 28 15.322 7.542 -2.748 1.00 2.02 C ATOM 458 CD1 LEU A 28 14.170 8.205 -3.483 1.00 2.91 C ATOM 459 CD2 LEU A 28 14.963 7.321 -1.287 1.00 2.37 C ATOM 0 HA LEU A 28 16.369 5.062 -1.741 1.00 0.90 H new ATOM 0 HB2 LEU A 28 16.051 6.440 -4.433 1.00 1.66 H new ATOM 0 HB3 LEU A 28 14.791 5.621 -3.531 1.00 1.66 H new ATOM 0 HG LEU A 28 16.189 8.202 -2.787 1.00 2.02 H new ATOM 0 HD11 LEU A 28 13.916 9.143 -2.990 1.00 2.91 H new ATOM 0 HD12 LEU A 28 14.463 8.405 -4.514 1.00 2.91 H new ATOM 0 HD13 LEU A 28 13.304 7.544 -3.474 1.00 2.91 H new ATOM 0 HD21 LEU A 28 14.702 8.275 -0.828 1.00 2.37 H new ATOM 0 HD22 LEU A 28 14.113 6.641 -1.220 1.00 2.37 H new ATOM 0 HD23 LEU A 28 15.816 6.888 -0.764 1.00 2.37 H new ATOM 471 N SER A 29 18.144 3.446 -3.217 1.00 0.61 N ATOM 472 CA SER A 29 18.583 2.334 -4.038 1.00 0.49 C ATOM 473 C SER A 29 18.225 0.988 -3.408 1.00 0.44 C ATOM 474 O SER A 29 17.610 0.945 -2.339 1.00 0.53 O ATOM 475 CB SER A 29 20.080 2.437 -4.292 1.00 0.55 C ATOM 476 OG SER A 29 20.424 3.735 -4.754 1.00 1.35 O ATOM 0 H SER A 29 18.724 3.633 -2.399 1.00 0.61 H new ATOM 0 HA SER A 29 18.058 2.388 -4.992 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.625 2.216 -3.374 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.381 1.692 -5.029 1.00 0.55 H new ATOM 0 HG SER A 29 21.390 3.781 -4.910 1.00 1.35 H new ATOM 482 N LYS A 30 18.618 -0.106 -4.055 1.00 0.38 N ATOM 483 CA LYS A 30 18.221 -1.440 -3.613 1.00 0.36 C ATOM 484 C LYS A 30 18.728 -1.743 -2.206 1.00 0.36 C ATOM 485 O LYS A 30 18.056 -2.425 -1.446 1.00 0.37 O ATOM 486 CB LYS A 30 18.730 -2.506 -4.586 1.00 0.39 C ATOM 487 CG LYS A 30 18.139 -3.885 -4.337 1.00 0.41 C ATOM 488 CD LYS A 30 18.763 -4.958 -5.225 1.00 0.50 C ATOM 489 CE LYS A 30 18.610 -4.655 -6.713 1.00 0.52 C ATOM 490 NZ LYS A 30 19.715 -3.809 -7.245 1.00 1.32 N ATOM 0 H LYS A 30 19.210 -0.095 -4.886 1.00 0.38 H new ATOM 0 HA LYS A 30 17.131 -1.461 -3.594 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.497 -2.198 -5.605 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.816 -2.566 -4.512 1.00 0.39 H new ATOM 0 HG2 LYS A 30 18.283 -4.155 -3.291 1.00 0.41 H new ATOM 0 HG3 LYS A 30 17.064 -3.853 -4.513 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.822 -5.052 -4.985 1.00 0.50 H new ATOM 0 HD3 LYS A 30 18.300 -5.920 -5.005 1.00 0.50 H new ATOM 0 HE2 LYS A 30 18.576 -5.592 -7.269 1.00 0.52 H new ATOM 0 HE3 LYS A 30 17.659 -4.150 -6.881 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.319 -2.940 -7.656 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 20.366 -3.562 -6.472 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 20.232 -4.335 -7.978 1.00 1.32 H new ATOM 504 N GLY A 31 19.903 -1.228 -1.861 1.00 0.39 N ATOM 505 CA GLY A 31 20.476 -1.488 -0.547 1.00 0.40 C ATOM 506 C GLY A 31 19.577 -1.046 0.589 1.00 0.38 C ATOM 507 O GLY A 31 19.388 -1.782 1.563 1.00 0.39 O ATOM 0 H GLY A 31 20.471 -0.635 -2.466 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.678 -2.555 -0.449 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.434 -0.974 -0.466 1.00 0.40 H new ATOM 511 N GLU A 32 19.012 0.147 0.459 1.00 0.44 N ATOM 512 CA GLU A 32 18.154 0.705 1.494 1.00 0.50 C ATOM 513 C GLU A 32 16.840 -0.055 1.561 1.00 0.42 C ATOM 514 O GLU A 32 16.333 -0.357 2.644 1.00 0.44 O ATOM 515 CB GLU A 32 17.897 2.185 1.222 1.00 0.67 C ATOM 516 CG GLU A 32 19.180 2.995 1.103 1.00 0.96 C ATOM 517 CD GLU A 32 18.966 4.492 1.192 1.00 1.58 C ATOM 518 OE1 GLU A 32 18.171 5.039 0.399 1.00 2.10 O ATOM 519 OE2 GLU A 32 19.612 5.128 2.056 1.00 2.44 O ATOM 0 H GLU A 32 19.133 0.748 -0.356 1.00 0.44 H new ATOM 0 HA GLU A 32 18.659 0.607 2.455 1.00 0.50 H new ATOM 0 HB2 GLU A 32 17.322 2.286 0.301 1.00 0.67 H new ATOM 0 HB3 GLU A 32 17.286 2.597 2.026 1.00 0.67 H new ATOM 0 HG2 GLU A 32 19.867 2.688 1.891 1.00 0.96 H new ATOM 0 HG3 GLU A 32 19.660 2.761 0.153 1.00 0.96 H new ATOM 526 N LEU A 33 16.307 -0.377 0.393 1.00 0.38 N ATOM 527 CA LEU A 33 15.084 -1.149 0.290 1.00 0.34 C ATOM 528 C LEU A 33 15.291 -2.529 0.892 1.00 0.29 C ATOM 529 O LEU A 33 14.450 -3.021 1.624 1.00 0.32 O ATOM 530 CB LEU A 33 14.681 -1.276 -1.172 1.00 0.34 C ATOM 531 CG LEU A 33 13.278 -1.837 -1.417 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.221 -0.899 -0.854 1.00 0.52 C ATOM 533 CD2 LEU A 33 13.045 -2.071 -2.898 1.00 0.46 C ATOM 0 H LEU A 33 16.710 -0.111 -0.505 1.00 0.38 H new ATOM 0 HA LEU A 33 14.291 -0.640 0.838 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.747 -0.292 -1.637 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.404 -1.917 -1.677 1.00 0.34 H new ATOM 0 HG LEU A 33 13.199 -2.794 -0.902 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.230 -1.315 -1.038 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.372 -0.783 0.219 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.302 0.074 -1.339 1.00 0.52 H new ATOM 0 HD21 LEU A 33 12.042 -2.470 -3.050 1.00 0.46 H new ATOM 0 HD22 LEU A 33 13.146 -1.128 -3.436 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.779 -2.783 -3.274 1.00 0.46 H new ATOM 545 N LYS A 34 16.429 -3.132 0.582 1.00 0.29 N ATOM 546 CA LYS A 34 16.794 -4.446 1.092 1.00 0.31 C ATOM 547 C LYS A 34 16.790 -4.459 2.615 1.00 0.35 C ATOM 548 O LYS A 34 16.202 -5.345 3.234 1.00 0.41 O ATOM 549 CB LYS A 34 18.177 -4.840 0.569 1.00 0.34 C ATOM 550 CG LYS A 34 18.773 -6.063 1.255 1.00 0.53 C ATOM 551 CD LYS A 34 20.207 -6.312 0.819 1.00 0.85 C ATOM 552 CE LYS A 34 20.801 -7.517 1.534 1.00 1.30 C ATOM 553 NZ LYS A 34 22.236 -7.713 1.201 1.00 1.87 N ATOM 0 H LYS A 34 17.130 -2.721 -0.034 1.00 0.29 H new ATOM 0 HA LYS A 34 16.056 -5.168 0.743 1.00 0.31 H new ATOM 0 HB2 LYS A 34 18.108 -5.034 -0.501 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.856 -3.997 0.697 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.740 -5.925 2.336 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.166 -6.939 1.027 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.239 -6.474 -0.258 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.811 -5.429 1.027 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.694 -7.388 2.611 1.00 1.30 H new ATOM 0 HE3 LYS A 34 20.241 -8.412 1.262 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.600 -8.544 1.709 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 22.337 -7.862 0.177 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 22.776 -6.870 1.483 1.00 1.87 H new ATOM 567 N GLN A 35 17.451 -3.471 3.205 1.00 0.35 N ATOM 568 CA GLN A 35 17.495 -3.331 4.649 1.00 0.43 C ATOM 569 C GLN A 35 16.081 -3.272 5.200 1.00 0.43 C ATOM 570 O GLN A 35 15.710 -4.080 6.046 1.00 0.50 O ATOM 571 CB GLN A 35 18.279 -2.074 5.022 1.00 0.50 C ATOM 572 CG GLN A 35 18.269 -1.772 6.506 1.00 1.07 C ATOM 573 CD GLN A 35 18.997 -0.489 6.847 1.00 1.68 C ATOM 574 OE1 GLN A 35 19.042 0.446 6.047 1.00 2.46 O ATOM 575 NE2 GLN A 35 19.574 -0.434 8.036 1.00 2.07 N ATOM 0 H GLN A 35 17.967 -2.751 2.698 1.00 0.35 H new ATOM 0 HA GLN A 35 18.000 -4.193 5.086 1.00 0.43 H new ATOM 0 HB2 GLN A 35 19.311 -2.187 4.690 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.862 -1.223 4.484 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.237 -1.702 6.851 1.00 1.07 H new ATOM 0 HG3 GLN A 35 18.730 -2.600 7.044 1.00 1.07 H new ATOM 0 HE21 GLN A 35 19.513 -1.231 8.670 1.00 2.07 H new ATOM 0 HE22 GLN A 35 20.080 0.405 8.319 1.00 2.07 H new ATOM 584 N LEU A 36 15.290 -2.345 4.673 1.00 0.38 N ATOM 585 CA LEU A 36 13.899 -2.196 5.065 1.00 0.39 C ATOM 586 C LEU A 36 13.171 -3.532 4.952 1.00 0.38 C ATOM 587 O LEU A 36 12.648 -4.041 5.922 1.00 0.45 O ATOM 588 CB LEU A 36 13.236 -1.141 4.172 1.00 0.36 C ATOM 589 CG LEU A 36 11.805 -0.735 4.537 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.530 0.665 4.021 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.789 -1.707 3.949 1.00 0.40 C ATOM 0 H LEU A 36 15.596 -1.679 3.964 1.00 0.38 H new ATOM 0 HA LEU A 36 13.845 -1.871 6.104 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.858 -0.246 4.183 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.234 -1.514 3.148 1.00 0.36 H new ATOM 0 HG LEU A 36 11.708 -0.757 5.622 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.512 0.955 4.280 1.00 0.45 H new ATOM 0 HD12 LEU A 36 12.233 1.364 4.474 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.648 0.683 2.938 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.783 -1.393 4.225 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.881 -1.717 2.863 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.976 -2.708 4.338 1.00 0.40 H new ATOM 603 N LEU A 37 13.190 -4.107 3.767 1.00 0.34 N ATOM 604 CA LEU A 37 12.421 -5.307 3.465 1.00 0.35 C ATOM 605 C LEU A 37 12.787 -6.482 4.362 1.00 0.41 C ATOM 606 O LEU A 37 11.908 -7.154 4.902 1.00 0.45 O ATOM 607 CB LEU A 37 12.629 -5.683 2.005 1.00 0.34 C ATOM 608 CG LEU A 37 12.125 -4.647 1.004 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.503 -5.033 -0.415 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.623 -4.478 1.138 1.00 0.32 C ATOM 0 H LEU A 37 13.739 -3.758 2.981 1.00 0.34 H new ATOM 0 HA LEU A 37 11.372 -5.081 3.654 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.693 -5.847 1.834 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.125 -6.630 1.812 1.00 0.34 H new ATOM 0 HG LEU A 37 12.602 -3.692 1.225 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.132 -4.278 -1.108 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.588 -5.099 -0.497 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.061 -5.999 -0.659 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.275 -3.737 0.419 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.131 -5.431 0.944 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.383 -4.145 2.148 1.00 0.32 H new ATOM 622 N THR A 38 14.078 -6.719 4.530 1.00 0.45 N ATOM 623 CA THR A 38 14.548 -7.874 5.271 1.00 0.53 C ATOM 624 C THR A 38 14.151 -7.806 6.741 1.00 0.59 C ATOM 625 O THR A 38 13.867 -8.829 7.360 1.00 0.66 O ATOM 626 CB THR A 38 16.080 -8.023 5.163 1.00 0.55 C ATOM 627 OG1 THR A 38 16.719 -6.779 5.476 1.00 1.23 O ATOM 628 CG2 THR A 38 16.488 -8.464 3.769 1.00 1.03 C ATOM 0 H THR A 38 14.820 -6.124 4.161 1.00 0.45 H new ATOM 0 HA THR A 38 14.070 -8.745 4.822 1.00 0.53 H new ATOM 0 HB THR A 38 16.395 -8.785 5.876 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.675 -6.184 4.699 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.573 -8.561 3.721 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.027 -9.425 3.542 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.158 -7.723 3.042 1.00 1.03 H new ATOM 636 N LYS A 39 14.139 -6.604 7.301 1.00 0.58 N ATOM 637 CA LYS A 39 13.850 -6.445 8.718 1.00 0.66 C ATOM 638 C LYS A 39 12.384 -6.090 8.980 1.00 0.64 C ATOM 639 O LYS A 39 11.826 -6.460 10.013 1.00 0.72 O ATOM 640 CB LYS A 39 14.775 -5.395 9.327 1.00 0.72 C ATOM 641 CG LYS A 39 14.562 -3.995 8.786 1.00 0.68 C ATOM 642 CD LYS A 39 15.824 -3.149 8.888 1.00 0.73 C ATOM 643 CE LYS A 39 16.352 -3.085 10.315 1.00 0.87 C ATOM 644 NZ LYS A 39 15.342 -2.548 11.265 1.00 1.61 N ATOM 0 H LYS A 39 14.324 -5.734 6.802 1.00 0.58 H new ATOM 0 HA LYS A 39 14.031 -7.407 9.197 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.630 -5.382 10.407 1.00 0.72 H new ATOM 0 HB3 LYS A 39 15.809 -5.689 9.147 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.247 -4.052 7.744 1.00 0.68 H new ATOM 0 HG3 LYS A 39 13.755 -3.512 9.337 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.592 -3.563 8.235 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.614 -2.140 8.533 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.654 -4.083 10.634 1.00 0.87 H new ATOM 0 HE3 LYS A 39 17.243 -2.458 10.343 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 15.781 -2.411 12.198 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 14.985 -1.637 10.913 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 14.553 -3.220 11.349 1.00 1.61 H new ATOM 658 N GLU A 40 11.761 -5.394 8.041 1.00 0.57 N ATOM 659 CA GLU A 40 10.414 -4.878 8.241 1.00 0.58 C ATOM 660 C GLU A 40 9.373 -5.874 7.764 1.00 0.56 C ATOM 661 O GLU A 40 8.381 -6.130 8.450 1.00 0.64 O ATOM 662 CB GLU A 40 10.228 -3.549 7.495 1.00 0.58 C ATOM 663 CG GLU A 40 11.100 -2.420 8.013 1.00 0.87 C ATOM 664 CD GLU A 40 10.909 -2.162 9.488 1.00 1.14 C ATOM 665 OE1 GLU A 40 9.771 -1.850 9.900 1.00 1.67 O ATOM 666 OE2 GLU A 40 11.905 -2.256 10.237 1.00 1.63 O ATOM 0 H GLU A 40 12.167 -5.173 7.132 1.00 0.57 H new ATOM 0 HA GLU A 40 10.280 -4.713 9.310 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.444 -3.705 6.438 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.183 -3.248 7.566 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.146 -2.659 7.823 1.00 0.87 H new ATOM 0 HG3 GLU A 40 10.875 -1.509 7.458 1.00 0.87 H new ATOM 673 N LEU A 41 9.613 -6.452 6.596 1.00 0.50 N ATOM 674 CA LEU A 41 8.613 -7.282 5.941 1.00 0.49 C ATOM 675 C LEU A 41 9.092 -8.724 5.861 1.00 0.52 C ATOM 676 O LEU A 41 8.661 -9.491 4.992 1.00 0.53 O ATOM 677 CB LEU A 41 8.320 -6.740 4.536 1.00 0.43 C ATOM 678 CG LEU A 41 8.067 -5.228 4.457 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.637 -4.830 3.056 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.029 -4.790 5.482 1.00 1.42 C ATOM 0 H LEU A 41 10.490 -6.362 6.083 1.00 0.50 H new ATOM 0 HA LEU A 41 7.695 -7.255 6.528 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.160 -6.986 3.887 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.448 -7.259 4.139 1.00 0.43 H new ATOM 0 HG LEU A 41 9.002 -4.719 4.689 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.463 -3.755 3.021 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.421 -5.094 2.346 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.719 -5.355 2.794 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.870 -3.715 5.403 1.00 1.42 H new ATOM 0 HD22 LEU A 41 6.090 -5.310 5.294 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.383 -5.031 6.484 1.00 1.42 H new ATOM 692 N ALA A 42 9.980 -9.076 6.788 1.00 0.58 N ATOM 693 CA ALA A 42 10.598 -10.403 6.843 1.00 0.64 C ATOM 694 C ALA A 42 9.582 -11.540 6.741 1.00 0.71 C ATOM 695 O ALA A 42 9.820 -12.536 6.053 1.00 0.78 O ATOM 696 CB ALA A 42 11.396 -10.549 8.128 1.00 0.71 C ATOM 0 H ALA A 42 10.294 -8.447 7.527 1.00 0.58 H new ATOM 0 HA ALA A 42 11.255 -10.480 5.976 1.00 0.64 H new ATOM 0 HB1 ALA A 42 11.853 -11.538 8.162 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.176 -9.788 8.161 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.733 -10.426 8.984 1.00 0.71 H new ATOM 702 N ASN A 43 8.453 -11.388 7.411 1.00 0.74 N ATOM 703 CA ASN A 43 7.484 -12.467 7.520 1.00 0.83 C ATOM 704 C ASN A 43 6.307 -12.267 6.579 1.00 0.83 C ATOM 705 O ASN A 43 5.304 -12.973 6.678 1.00 1.07 O ATOM 706 CB ASN A 43 6.979 -12.579 8.959 1.00 0.99 C ATOM 707 CG ASN A 43 8.057 -13.042 9.919 1.00 1.28 C ATOM 708 OD1 ASN A 43 8.797 -12.232 10.479 1.00 1.56 O ATOM 709 ND2 ASN A 43 8.150 -14.346 10.125 1.00 2.16 N ATOM 0 H ASN A 43 8.184 -10.528 7.888 1.00 0.74 H new ATOM 0 HA ASN A 43 7.989 -13.390 7.235 1.00 0.83 H new ATOM 0 HB2 ASN A 43 6.600 -11.610 9.284 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.142 -13.277 8.994 1.00 0.99 H new ATOM 0 HD21 ASN A 43 8.853 -14.712 10.767 1.00 2.16 H new ATOM 0 HD22 ASN A 43 7.518 -14.985 9.642 1.00 2.16 H new ATOM 716 N THR A 44 6.424 -11.326 5.657 1.00 0.65 N ATOM 717 CA THR A 44 5.325 -11.031 4.759 1.00 0.61 C ATOM 718 C THR A 44 5.640 -11.509 3.354 1.00 0.59 C ATOM 719 O THR A 44 4.977 -12.398 2.813 1.00 0.66 O ATOM 720 CB THR A 44 5.028 -9.525 4.728 1.00 0.56 C ATOM 721 OG1 THR A 44 4.924 -9.035 6.070 1.00 0.65 O ATOM 722 CG2 THR A 44 3.731 -9.246 3.988 1.00 0.53 C ATOM 0 H THR A 44 7.260 -10.760 5.513 1.00 0.65 H new ATOM 0 HA THR A 44 4.446 -11.557 5.131 1.00 0.61 H new ATOM 0 HB THR A 44 5.841 -9.020 4.207 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.211 -8.098 6.099 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.541 -8.173 3.979 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.811 -9.609 2.963 1.00 0.53 H new ATOM 0 HG23 THR A 44 2.909 -9.756 4.490 1.00 0.53 H new ATOM 730 N ILE A 45 6.669 -10.921 2.778 1.00 0.52 N ATOM 731 CA ILE A 45 7.082 -11.253 1.432 1.00 0.52 C ATOM 732 C ILE A 45 7.903 -12.537 1.454 1.00 0.59 C ATOM 733 O ILE A 45 8.802 -12.686 2.286 1.00 0.60 O ATOM 734 CB ILE A 45 7.907 -10.103 0.825 1.00 0.43 C ATOM 735 CG1 ILE A 45 7.117 -8.787 0.875 1.00 0.39 C ATOM 736 CG2 ILE A 45 8.310 -10.437 -0.608 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.868 -7.608 0.291 1.00 0.36 C ATOM 0 H ILE A 45 7.239 -10.204 3.227 1.00 0.52 H new ATOM 0 HA ILE A 45 6.197 -11.403 0.814 1.00 0.52 H new ATOM 0 HB ILE A 45 8.814 -9.977 1.416 1.00 0.43 H new ATOM 0 HG12 ILE A 45 6.180 -8.915 0.334 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.859 -8.566 1.911 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.892 -9.615 -1.023 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.911 -11.347 -0.614 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.415 -10.589 -1.212 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.250 -6.713 0.360 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.793 -7.454 0.847 1.00 0.36 H new ATOM 0 HD13 ILE A 45 8.102 -7.808 -0.755 1.00 0.36 H new ATOM 749 N LYS A 46 7.571 -13.473 0.563 1.00 0.67 N ATOM 750 CA LYS A 46 8.235 -14.772 0.529 1.00 0.73 C ATOM 751 C LYS A 46 9.737 -14.596 0.386 1.00 0.68 C ATOM 752 O LYS A 46 10.201 -13.902 -0.519 1.00 0.63 O ATOM 753 CB LYS A 46 7.674 -15.659 -0.606 1.00 0.82 C ATOM 754 CG LYS A 46 8.283 -15.438 -1.992 1.00 0.79 C ATOM 755 CD LYS A 46 9.513 -16.321 -2.207 1.00 0.75 C ATOM 756 CE LYS A 46 10.088 -16.160 -3.604 1.00 0.88 C ATOM 757 NZ LYS A 46 9.235 -16.779 -4.650 1.00 1.61 N ATOM 0 H LYS A 46 6.846 -13.353 -0.144 1.00 0.67 H new ATOM 0 HA LYS A 46 8.035 -15.279 1.473 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.819 -16.703 -0.330 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.599 -15.493 -0.673 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.538 -15.656 -2.757 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.561 -14.390 -2.106 1.00 0.79 H new ATOM 0 HD2 LYS A 46 10.275 -16.068 -1.469 1.00 0.75 H new ATOM 0 HD3 LYS A 46 9.244 -17.364 -2.043 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.211 -15.099 -3.822 1.00 0.88 H new ATOM 0 HE3 LYS A 46 11.081 -16.609 -3.638 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 9.690 -16.670 -5.579 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 9.110 -17.790 -4.442 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 8.306 -16.311 -4.662 1.00 1.61 H new ATOM 771 N ASN A 47 10.480 -15.200 1.308 1.00 0.71 N ATOM 772 CA ASN A 47 11.939 -15.182 1.274 1.00 0.67 C ATOM 773 C ASN A 47 12.478 -13.786 1.000 1.00 0.59 C ATOM 774 O ASN A 47 13.419 -13.625 0.228 1.00 0.57 O ATOM 775 CB ASN A 47 12.473 -16.138 0.206 1.00 0.69 C ATOM 776 CG ASN A 47 12.250 -17.599 0.540 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.226 -18.181 0.183 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.211 -18.206 1.213 1.00 1.24 N ATOM 0 H ASN A 47 10.090 -15.714 2.098 1.00 0.71 H new ATOM 0 HA ASN A 47 12.280 -15.505 2.258 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.992 -15.913 -0.746 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.540 -15.962 0.073 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.119 -19.193 1.455 1.00 1.24 H new ATOM 0 HD22 ASN A 47 14.045 -17.688 1.491 1.00 1.24 H new ATOM 785 N ILE A 48 11.892 -12.780 1.639 1.00 0.55 N ATOM 786 CA ILE A 48 12.310 -11.394 1.441 1.00 0.48 C ATOM 787 C ILE A 48 13.746 -11.187 1.929 1.00 0.48 C ATOM 788 O ILE A 48 14.330 -10.116 1.795 1.00 0.43 O ATOM 789 CB ILE A 48 11.365 -10.422 2.174 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.600 -8.980 1.722 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.547 -10.538 3.677 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.470 -8.781 0.226 1.00 0.38 C ATOM 0 H ILE A 48 11.124 -12.897 2.300 1.00 0.55 H new ATOM 0 HA ILE A 48 12.265 -11.184 0.372 1.00 0.48 H new ATOM 0 HB ILE A 48 10.340 -10.694 1.921 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.888 -8.329 2.229 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.596 -8.668 2.036 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.872 -9.845 4.180 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.322 -11.557 3.993 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.577 -10.296 3.939 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.650 -7.734 -0.019 1.00 0.38 H new ATOM 0 HD12 ILE A 48 12.201 -9.405 -0.289 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.466 -9.061 -0.092 1.00 0.38 H new ATOM 804 N LYS A 49 14.301 -12.240 2.494 1.00 0.56 N ATOM 805 CA LYS A 49 15.661 -12.231 2.985 1.00 0.57 C ATOM 806 C LYS A 49 16.622 -12.532 1.847 1.00 0.55 C ATOM 807 O LYS A 49 17.832 -12.345 1.962 1.00 0.56 O ATOM 808 CB LYS A 49 15.809 -13.277 4.077 1.00 0.65 C ATOM 809 CG LYS A 49 14.707 -13.209 5.115 1.00 0.73 C ATOM 810 CD LYS A 49 14.616 -11.832 5.754 1.00 0.72 C ATOM 811 CE LYS A 49 15.788 -11.541 6.678 1.00 0.82 C ATOM 812 NZ LYS A 49 15.880 -12.517 7.797 1.00 1.11 N ATOM 0 H LYS A 49 13.818 -13.129 2.625 1.00 0.56 H new ATOM 0 HA LYS A 49 15.893 -11.247 3.392 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.814 -14.269 3.624 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.773 -13.147 4.569 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.753 -13.457 4.649 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.889 -13.957 5.887 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.577 -11.074 4.972 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.686 -11.757 6.317 1.00 0.72 H new ATOM 0 HE2 LYS A 49 16.714 -11.561 6.104 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.687 -10.535 7.084 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 16.490 -12.131 8.545 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 14.930 -12.694 8.182 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 16.284 -13.409 7.447 1.00 1.11 H new ATOM 826 N ASP A 50 16.063 -13.015 0.753 1.00 0.55 N ATOM 827 CA ASP A 50 16.839 -13.383 -0.414 1.00 0.56 C ATOM 828 C ASP A 50 16.997 -12.206 -1.345 1.00 0.50 C ATOM 829 O ASP A 50 16.022 -11.560 -1.719 1.00 0.47 O ATOM 830 CB ASP A 50 16.165 -14.538 -1.150 1.00 0.62 C ATOM 831 CG ASP A 50 16.451 -15.878 -0.509 1.00 0.97 C ATOM 832 OD1 ASP A 50 15.974 -16.125 0.619 1.00 1.57 O ATOM 833 OD2 ASP A 50 17.173 -16.689 -1.119 1.00 1.58 O ATOM 0 H ASP A 50 15.059 -13.163 0.650 1.00 0.55 H new ATOM 0 HA ASP A 50 17.828 -13.697 -0.081 1.00 0.56 H new ATOM 0 HB2 ASP A 50 15.088 -14.372 -1.172 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.506 -14.554 -2.185 1.00 0.62 H new ATOM 838 N LYS A 51 18.239 -11.936 -1.722 1.00 0.50 N ATOM 839 CA LYS A 51 18.539 -10.846 -2.632 1.00 0.48 C ATOM 840 C LYS A 51 17.937 -11.126 -3.995 1.00 0.50 C ATOM 841 O LYS A 51 17.639 -10.209 -4.744 1.00 0.48 O ATOM 842 CB LYS A 51 20.042 -10.664 -2.779 1.00 0.53 C ATOM 843 CG LYS A 51 20.522 -9.227 -2.593 1.00 0.83 C ATOM 844 CD LYS A 51 19.850 -8.253 -3.557 1.00 0.60 C ATOM 845 CE LYS A 51 20.202 -8.541 -5.012 1.00 0.83 C ATOM 846 NZ LYS A 51 21.659 -8.427 -5.277 1.00 0.92 N ATOM 0 H LYS A 51 19.056 -12.460 -1.409 1.00 0.50 H new ATOM 0 HA LYS A 51 18.109 -9.933 -2.220 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.546 -11.300 -2.051 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.343 -11.010 -3.768 1.00 0.53 H new ATOM 0 HG2 LYS A 51 20.325 -8.912 -1.568 1.00 0.83 H new ATOM 0 HG3 LYS A 51 21.602 -9.187 -2.737 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.769 -8.308 -3.430 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.149 -7.235 -3.308 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.866 -9.545 -5.272 1.00 0.83 H new ATOM 0 HE3 LYS A 51 19.663 -7.847 -5.657 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 21.826 -8.429 -6.303 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.018 -7.540 -4.870 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.155 -9.232 -4.844 1.00 0.92 H new ATOM 860 N ALA A 52 17.766 -12.401 -4.316 1.00 0.55 N ATOM 861 CA ALA A 52 17.131 -12.779 -5.564 1.00 0.60 C ATOM 862 C ALA A 52 15.681 -12.357 -5.524 1.00 0.58 C ATOM 863 O ALA A 52 15.126 -11.881 -6.511 1.00 0.60 O ATOM 864 CB ALA A 52 17.229 -14.275 -5.790 1.00 0.67 C ATOM 0 H ALA A 52 18.057 -13.184 -3.731 1.00 0.55 H new ATOM 0 HA ALA A 52 17.642 -12.280 -6.388 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.745 -14.533 -6.732 1.00 0.67 H new ATOM 0 HB2 ALA A 52 18.278 -14.569 -5.828 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.734 -14.800 -4.973 1.00 0.67 H new ATOM 870 N VAL A 53 15.096 -12.505 -4.350 1.00 0.54 N ATOM 871 CA VAL A 53 13.719 -12.114 -4.119 1.00 0.53 C ATOM 872 C VAL A 53 13.617 -10.600 -4.117 1.00 0.47 C ATOM 873 O VAL A 53 12.789 -10.015 -4.806 1.00 0.48 O ATOM 874 CB VAL A 53 13.204 -12.686 -2.780 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.916 -12.005 -2.336 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.983 -14.182 -2.896 1.00 0.60 C ATOM 0 H VAL A 53 15.561 -12.899 -3.532 1.00 0.54 H new ATOM 0 HA VAL A 53 13.099 -12.518 -4.919 1.00 0.53 H new ATOM 0 HB VAL A 53 13.966 -12.490 -2.025 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.585 -12.434 -1.390 1.00 0.51 H new ATOM 0 HG12 VAL A 53 12.095 -10.937 -2.207 1.00 0.51 H new ATOM 0 HG13 VAL A 53 11.146 -12.155 -3.092 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.620 -14.571 -1.945 1.00 0.60 H new ATOM 0 HG22 VAL A 53 12.247 -14.382 -3.674 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.923 -14.670 -3.152 1.00 0.60 H new ATOM 886 N ILE A 54 14.500 -9.976 -3.361 1.00 0.42 N ATOM 887 CA ILE A 54 14.554 -8.525 -3.272 1.00 0.36 C ATOM 888 C ILE A 54 14.791 -7.882 -4.630 1.00 0.38 C ATOM 889 O ILE A 54 14.230 -6.834 -4.932 1.00 0.38 O ATOM 890 CB ILE A 54 15.661 -8.101 -2.311 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.302 -8.592 -0.915 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.870 -6.587 -2.333 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.290 -8.183 0.143 1.00 0.38 C ATOM 0 H ILE A 54 15.198 -10.456 -2.793 1.00 0.42 H new ATOM 0 HA ILE A 54 13.587 -8.185 -2.901 1.00 0.36 H new ATOM 0 HB ILE A 54 16.605 -8.548 -2.623 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.317 -8.209 -0.647 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.228 -9.679 -0.930 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.665 -6.319 -1.637 1.00 0.32 H new ATOM 0 HG22 ILE A 54 16.147 -6.273 -3.339 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.947 -6.088 -2.038 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.968 -8.569 1.110 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.272 -8.588 -0.100 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.347 -7.095 0.187 1.00 0.38 H new ATOM 905 N ASP A 55 15.616 -8.519 -5.445 1.00 0.43 N ATOM 906 CA ASP A 55 15.931 -8.008 -6.770 1.00 0.47 C ATOM 907 C ASP A 55 14.675 -8.032 -7.614 1.00 0.48 C ATOM 908 O ASP A 55 14.345 -7.066 -8.287 1.00 0.49 O ATOM 909 CB ASP A 55 17.010 -8.863 -7.430 1.00 0.55 C ATOM 910 CG ASP A 55 17.958 -8.054 -8.298 1.00 0.86 C ATOM 911 OD1 ASP A 55 17.658 -7.847 -9.489 1.00 1.53 O ATOM 912 OD2 ASP A 55 19.022 -7.631 -7.792 1.00 1.44 O ATOM 0 H ASP A 55 16.082 -9.396 -5.211 1.00 0.43 H new ATOM 0 HA ASP A 55 16.305 -6.988 -6.683 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.582 -9.377 -6.657 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.535 -9.632 -8.039 1.00 0.55 H new ATOM 917 N GLU A 56 13.968 -9.149 -7.528 1.00 0.51 N ATOM 918 CA GLU A 56 12.687 -9.331 -8.196 1.00 0.54 C ATOM 919 C GLU A 56 11.710 -8.210 -7.838 1.00 0.47 C ATOM 920 O GLU A 56 11.096 -7.599 -8.717 1.00 0.49 O ATOM 921 CB GLU A 56 12.102 -10.677 -7.781 1.00 0.58 C ATOM 922 CG GLU A 56 12.790 -11.876 -8.416 1.00 0.69 C ATOM 923 CD GLU A 56 12.875 -11.776 -9.925 1.00 1.06 C ATOM 924 OE1 GLU A 56 11.838 -11.942 -10.600 1.00 1.66 O ATOM 925 OE2 GLU A 56 13.988 -11.556 -10.445 1.00 1.77 O ATOM 0 H GLU A 56 14.269 -9.961 -6.989 1.00 0.51 H new ATOM 0 HA GLU A 56 12.846 -9.304 -9.274 1.00 0.54 H new ATOM 0 HB2 GLU A 56 12.163 -10.769 -6.697 1.00 0.58 H new ATOM 0 HB3 GLU A 56 11.044 -10.698 -8.043 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.796 -11.971 -8.006 1.00 0.69 H new ATOM 0 HG3 GLU A 56 12.249 -12.783 -8.147 1.00 0.69 H new ATOM 932 N ILE A 57 11.576 -7.947 -6.543 1.00 0.42 N ATOM 933 CA ILE A 57 10.692 -6.900 -6.050 1.00 0.39 C ATOM 934 C ILE A 57 11.166 -5.532 -6.518 1.00 0.36 C ATOM 935 O ILE A 57 10.405 -4.761 -7.104 1.00 0.37 O ATOM 936 CB ILE A 57 10.656 -6.919 -4.511 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.642 -7.945 -3.978 1.00 0.48 C ATOM 938 CG2 ILE A 57 10.344 -5.544 -3.950 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.923 -9.379 -4.361 1.00 1.00 C ATOM 0 H ILE A 57 12.075 -8.451 -5.810 1.00 0.42 H new ATOM 0 HA ILE A 57 9.693 -7.087 -6.444 1.00 0.39 H new ATOM 0 HB ILE A 57 11.650 -7.216 -4.176 1.00 0.40 H new ATOM 0 HG12 ILE A 57 9.614 -7.874 -2.891 1.00 0.48 H new ATOM 0 HG13 ILE A 57 8.650 -7.675 -4.341 1.00 0.48 H new ATOM 0 HG21 ILE A 57 10.326 -5.591 -2.861 1.00 0.59 H new ATOM 0 HG22 ILE A 57 11.110 -4.838 -4.270 1.00 0.59 H new ATOM 0 HG23 ILE A 57 9.371 -5.214 -4.315 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.154 -10.026 -3.939 1.00 1.00 H new ATOM 0 HD12 ILE A 57 9.920 -9.473 -5.447 1.00 1.00 H new ATOM 0 HD13 ILE A 57 10.898 -9.675 -3.974 1.00 1.00 H new ATOM 951 N PHE A 58 12.436 -5.252 -6.261 1.00 0.35 N ATOM 952 CA PHE A 58 13.024 -3.967 -6.575 1.00 0.36 C ATOM 953 C PHE A 58 12.869 -3.660 -8.052 1.00 0.41 C ATOM 954 O PHE A 58 12.480 -2.561 -8.429 1.00 0.44 O ATOM 955 CB PHE A 58 14.502 -3.956 -6.184 1.00 0.38 C ATOM 956 CG PHE A 58 15.209 -2.680 -6.530 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.055 -1.553 -5.742 1.00 1.12 C ATOM 958 CD2 PHE A 58 16.033 -2.612 -7.639 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.709 -0.381 -6.054 1.00 1.16 C ATOM 960 CE2 PHE A 58 16.688 -1.443 -7.956 1.00 1.68 C ATOM 961 CZ PHE A 58 16.526 -0.326 -7.162 1.00 0.93 C ATOM 0 H PHE A 58 13.083 -5.912 -5.829 1.00 0.35 H new ATOM 0 HA PHE A 58 12.503 -3.197 -6.006 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.586 -4.128 -5.111 1.00 0.38 H new ATOM 0 HB3 PHE A 58 15.006 -4.786 -6.680 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.415 -1.592 -4.873 1.00 1.12 H new ATOM 0 HD2 PHE A 58 16.164 -3.484 -8.262 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.581 0.492 -5.432 1.00 1.16 H new ATOM 0 HE2 PHE A 58 17.328 -1.400 -8.825 1.00 1.68 H new ATOM 0 HZ PHE A 58 17.040 0.591 -7.409 1.00 0.93 H new ATOM 971 N GLN A 59 13.155 -4.654 -8.878 1.00 0.45 N ATOM 972 CA GLN A 59 13.024 -4.525 -10.318 1.00 0.52 C ATOM 973 C GLN A 59 11.564 -4.352 -10.716 1.00 0.52 C ATOM 974 O GLN A 59 11.261 -3.792 -11.770 1.00 0.57 O ATOM 975 CB GLN A 59 13.616 -5.748 -11.018 1.00 0.58 C ATOM 976 CG GLN A 59 15.134 -5.812 -10.962 1.00 0.61 C ATOM 977 CD GLN A 59 15.724 -6.577 -12.129 1.00 1.10 C ATOM 978 OE1 GLN A 59 15.906 -7.793 -12.071 1.00 1.92 O ATOM 979 NE2 GLN A 59 16.032 -5.864 -13.202 1.00 1.63 N ATOM 0 H GLN A 59 13.483 -5.569 -8.569 1.00 0.45 H new ATOM 0 HA GLN A 59 13.575 -3.638 -10.630 1.00 0.52 H new ATOM 0 HB2 GLN A 59 13.207 -6.650 -10.562 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.300 -5.746 -12.061 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.537 -4.799 -10.954 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.441 -6.285 -10.029 1.00 0.61 H new ATOM 0 HE21 GLN A 59 15.866 -4.858 -13.211 1.00 1.63 H new ATOM 0 HE22 GLN A 59 16.435 -6.321 -14.020 1.00 1.63 H new ATOM 988 N GLY A 60 10.663 -4.834 -9.869 1.00 0.48 N ATOM 989 CA GLY A 60 9.246 -4.664 -10.120 1.00 0.49 C ATOM 990 C GLY A 60 8.800 -3.232 -9.900 1.00 0.47 C ATOM 991 O GLY A 60 7.815 -2.780 -10.484 1.00 0.53 O ATOM 0 H GLY A 60 10.889 -5.340 -9.013 1.00 0.48 H new ATOM 0 HA2 GLY A 60 9.021 -4.961 -11.144 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.679 -5.325 -9.464 1.00 0.49 H new ATOM 995 N LEU A 61 9.528 -2.514 -9.052 1.00 0.42 N ATOM 996 CA LEU A 61 9.209 -1.121 -8.771 1.00 0.44 C ATOM 997 C LEU A 61 10.050 -0.204 -9.650 1.00 0.51 C ATOM 998 O LEU A 61 9.541 0.761 -10.224 1.00 0.58 O ATOM 999 CB LEU A 61 9.462 -0.789 -7.296 1.00 0.39 C ATOM 1000 CG LEU A 61 9.463 -1.985 -6.346 1.00 0.34 C ATOM 1001 CD1 LEU A 61 10.035 -1.580 -5.000 1.00 0.31 C ATOM 1002 CD2 LEU A 61 8.055 -2.549 -6.186 1.00 0.35 C ATOM 0 H LEU A 61 10.340 -2.873 -8.549 1.00 0.42 H new ATOM 0 HA LEU A 61 8.152 -0.965 -8.988 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.423 -0.282 -7.215 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.700 -0.084 -6.964 1.00 0.39 H new ATOM 0 HG LEU A 61 10.092 -2.767 -6.771 1.00 0.34 H new ATOM 0 HD11 LEU A 61 10.031 -2.439 -4.330 1.00 0.31 H new ATOM 0 HD12 LEU A 61 11.058 -1.226 -5.131 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.427 -0.783 -4.571 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.079 -3.400 -5.505 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.398 -1.779 -5.781 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.680 -2.872 -7.157 1.00 0.35 H new ATOM 1014 N ASP A 62 11.336 -0.536 -9.751 1.00 0.50 N ATOM 1015 CA ASP A 62 12.293 0.220 -10.559 1.00 0.59 C ATOM 1016 C ASP A 62 12.038 -0.031 -12.045 1.00 0.70 C ATOM 1017 O ASP A 62 12.788 -0.738 -12.719 1.00 0.75 O ATOM 1018 CB ASP A 62 13.728 -0.180 -10.168 1.00 0.57 C ATOM 1019 CG ASP A 62 14.812 0.558 -10.942 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.939 1.791 -10.790 1.00 1.40 O ATOM 1021 OD2 ASP A 62 15.568 -0.103 -11.685 1.00 1.11 O ATOM 0 H ASP A 62 11.745 -1.339 -9.274 1.00 0.50 H new ATOM 0 HA ASP A 62 12.167 1.286 -10.371 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.868 0.004 -9.103 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.850 -1.252 -10.325 1.00 0.57 H new ATOM 1026 N ALA A 63 10.951 0.544 -12.536 1.00 0.78 N ATOM 1027 CA ALA A 63 10.531 0.357 -13.918 1.00 0.94 C ATOM 1028 C ALA A 63 11.407 1.148 -14.874 1.00 1.12 C ATOM 1029 O ALA A 63 11.635 0.735 -16.011 1.00 1.30 O ATOM 1030 CB ALA A 63 9.081 0.772 -14.080 1.00 0.99 C ATOM 0 H ALA A 63 10.337 1.150 -11.992 1.00 0.78 H new ATOM 0 HA ALA A 63 10.635 -0.700 -14.162 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.775 0.629 -15.116 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.453 0.163 -13.429 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.971 1.823 -13.811 1.00 0.99 H new ATOM 1036 N ASN A 64 11.904 2.284 -14.408 1.00 1.09 N ATOM 1037 CA ASN A 64 12.740 3.146 -15.233 1.00 1.28 C ATOM 1038 C ASN A 64 14.158 2.600 -15.321 1.00 1.21 C ATOM 1039 O ASN A 64 14.976 3.079 -16.108 1.00 1.37 O ATOM 1040 CB ASN A 64 12.758 4.577 -14.690 1.00 1.34 C ATOM 1041 CG ASN A 64 11.435 5.290 -14.874 1.00 2.03 C ATOM 1042 OD1 ASN A 64 10.692 5.015 -15.814 1.00 2.55 O ATOM 1043 ND2 ASN A 64 11.132 6.212 -13.977 1.00 2.80 N ATOM 0 H ASN A 64 11.743 2.631 -13.463 1.00 1.09 H new ATOM 0 HA ASN A 64 12.311 3.164 -16.235 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.010 4.555 -13.630 1.00 1.34 H new ATOM 0 HB3 ASN A 64 13.543 5.142 -15.193 1.00 1.34 H new ATOM 0 HD21 ASN A 64 10.254 6.725 -14.050 1.00 2.80 H new ATOM 0 HD22 ASN A 64 11.776 6.410 -13.212 1.00 2.80 H new ATOM 1050 N GLN A 65 14.424 1.585 -14.496 1.00 1.03 N ATOM 1051 CA GLN A 65 15.678 0.837 -14.531 1.00 1.05 C ATOM 1052 C GLN A 65 16.871 1.717 -14.185 1.00 1.04 C ATOM 1053 O GLN A 65 17.920 1.641 -14.824 1.00 1.17 O ATOM 1054 CB GLN A 65 15.869 0.184 -15.902 1.00 1.31 C ATOM 1055 CG GLN A 65 14.807 -0.853 -16.225 1.00 1.37 C ATOM 1056 CD GLN A 65 14.923 -1.382 -17.637 1.00 2.03 C ATOM 1057 OE1 GLN A 65 14.314 -0.851 -18.564 1.00 2.72 O ATOM 1058 NE2 GLN A 65 15.708 -2.429 -17.810 1.00 2.57 N ATOM 0 H GLN A 65 13.772 1.259 -13.783 1.00 1.03 H new ATOM 0 HA GLN A 65 15.619 0.056 -13.773 1.00 1.05 H new ATOM 0 HB2 GLN A 65 15.858 0.957 -16.670 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.851 -0.288 -15.939 1.00 1.31 H new ATOM 0 HG2 GLN A 65 14.888 -1.682 -15.522 1.00 1.37 H new ATOM 0 HG3 GLN A 65 13.820 -0.413 -16.086 1.00 1.37 H new ATOM 0 HE21 GLN A 65 16.195 -2.839 -17.013 1.00 2.57 H new ATOM 0 HE22 GLN A 65 15.828 -2.828 -18.741 1.00 2.57 H new ATOM 1067 N ASP A 66 16.714 2.542 -13.161 1.00 0.93 N ATOM 1068 CA ASP A 66 17.789 3.425 -12.720 1.00 0.95 C ATOM 1069 C ASP A 66 18.370 2.937 -11.407 1.00 0.81 C ATOM 1070 O ASP A 66 19.269 3.560 -10.843 1.00 0.82 O ATOM 1071 CB ASP A 66 17.293 4.865 -12.541 1.00 1.06 C ATOM 1072 CG ASP A 66 17.022 5.572 -13.850 1.00 1.42 C ATOM 1073 OD1 ASP A 66 17.975 5.766 -14.635 1.00 1.89 O ATOM 1074 OD2 ASP A 66 15.862 5.967 -14.089 1.00 2.13 O ATOM 0 H ASP A 66 15.854 2.620 -12.618 1.00 0.93 H new ATOM 0 HA ASP A 66 18.558 3.411 -13.493 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.380 4.856 -11.945 1.00 1.06 H new ATOM 0 HB3 ASP A 66 18.036 5.430 -11.978 1.00 1.06 H new ATOM 1079 N GLU A 67 17.840 1.813 -10.933 1.00 0.73 N ATOM 1080 CA GLU A 67 18.193 1.269 -9.629 1.00 0.63 C ATOM 1081 C GLU A 67 17.885 2.275 -8.528 1.00 0.58 C ATOM 1082 O GLU A 67 18.649 2.435 -7.573 1.00 0.60 O ATOM 1083 CB GLU A 67 19.659 0.825 -9.571 1.00 0.68 C ATOM 1084 CG GLU A 67 19.906 -0.539 -10.198 1.00 0.97 C ATOM 1085 CD GLU A 67 21.320 -1.034 -9.974 1.00 1.42 C ATOM 1086 OE1 GLU A 67 21.591 -1.585 -8.886 1.00 2.02 O ATOM 1087 OE2 GLU A 67 22.166 -0.884 -10.878 1.00 2.01 O ATOM 0 H GLU A 67 17.155 1.256 -11.443 1.00 0.73 H new ATOM 0 HA GLU A 67 17.582 0.381 -9.468 1.00 0.63 H new ATOM 0 HB2 GLU A 67 20.275 1.567 -10.079 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.982 0.801 -8.530 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.202 -1.259 -9.781 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.709 -0.484 -11.269 1.00 0.97 H new ATOM 1094 N GLN A 68 16.752 2.943 -8.670 1.00 0.61 N ATOM 1095 CA GLN A 68 16.282 3.887 -7.671 1.00 0.65 C ATOM 1096 C GLN A 68 14.800 3.673 -7.423 1.00 0.66 C ATOM 1097 O GLN A 68 13.984 3.848 -8.325 1.00 0.78 O ATOM 1098 CB GLN A 68 16.510 5.334 -8.122 1.00 0.85 C ATOM 1099 CG GLN A 68 17.967 5.762 -8.152 1.00 1.38 C ATOM 1100 CD GLN A 68 18.126 7.212 -8.570 1.00 1.63 C ATOM 1101 OE1 GLN A 68 18.113 8.122 -7.739 1.00 2.16 O ATOM 1102 NE2 GLN A 68 18.273 7.441 -9.866 1.00 2.07 N ATOM 0 H GLN A 68 16.135 2.847 -9.477 1.00 0.61 H new ATOM 0 HA GLN A 68 16.846 3.715 -6.754 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.086 5.462 -9.118 1.00 0.85 H new ATOM 0 HB3 GLN A 68 15.962 6.000 -7.455 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.407 5.619 -7.165 1.00 1.38 H new ATOM 0 HG3 GLN A 68 18.518 5.123 -8.842 1.00 1.38 H new ATOM 0 HE21 GLN A 68 18.279 6.662 -10.524 1.00 2.07 H new ATOM 0 HE22 GLN A 68 18.380 8.397 -10.206 1.00 2.07 H new ATOM 1111 N VAL A 69 14.460 3.300 -6.203 1.00 0.59 N ATOM 1112 CA VAL A 69 13.072 3.139 -5.820 1.00 0.64 C ATOM 1113 C VAL A 69 12.535 4.434 -5.200 1.00 0.64 C ATOM 1114 O VAL A 69 12.894 4.815 -4.086 1.00 0.68 O ATOM 1115 CB VAL A 69 12.886 1.939 -4.851 1.00 0.72 C ATOM 1116 CG1 VAL A 69 13.809 2.038 -3.643 1.00 1.81 C ATOM 1117 CG2 VAL A 69 11.437 1.821 -4.405 1.00 1.22 C ATOM 0 H VAL A 69 15.129 3.103 -5.459 1.00 0.59 H new ATOM 0 HA VAL A 69 12.497 2.923 -6.720 1.00 0.64 H new ATOM 0 HB VAL A 69 13.156 1.037 -5.400 1.00 0.72 H new ATOM 0 HG11 VAL A 69 13.648 1.180 -2.990 1.00 1.81 H new ATOM 0 HG12 VAL A 69 14.846 2.049 -3.978 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.594 2.956 -3.095 1.00 1.81 H new ATOM 0 HG21 VAL A 69 11.333 0.974 -3.727 1.00 1.22 H new ATOM 0 HG22 VAL A 69 11.139 2.735 -3.892 1.00 1.22 H new ATOM 0 HG23 VAL A 69 10.799 1.670 -5.276 1.00 1.22 H new ATOM 1127 N ASP A 70 11.693 5.123 -5.955 1.00 0.67 N ATOM 1128 CA ASP A 70 11.046 6.344 -5.484 1.00 0.73 C ATOM 1129 C ASP A 70 9.958 6.000 -4.472 1.00 0.64 C ATOM 1130 O ASP A 70 9.627 4.830 -4.308 1.00 0.56 O ATOM 1131 CB ASP A 70 10.436 7.091 -6.678 1.00 0.84 C ATOM 1132 CG ASP A 70 9.810 8.422 -6.319 1.00 1.38 C ATOM 1133 OD1 ASP A 70 8.608 8.444 -5.983 1.00 1.99 O ATOM 1134 OD2 ASP A 70 10.508 9.450 -6.384 1.00 2.02 O ATOM 0 H ASP A 70 11.438 4.856 -6.906 1.00 0.67 H new ATOM 0 HA ASP A 70 11.786 6.981 -5.000 1.00 0.73 H new ATOM 0 HB2 ASP A 70 11.213 7.256 -7.425 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.679 6.458 -7.140 1.00 0.84 H new ATOM 1139 N PHE A 71 9.396 6.995 -3.803 1.00 0.70 N ATOM 1140 CA PHE A 71 8.270 6.761 -2.905 1.00 0.66 C ATOM 1141 C PHE A 71 7.099 6.159 -3.686 1.00 0.55 C ATOM 1142 O PHE A 71 6.339 5.350 -3.168 1.00 0.48 O ATOM 1143 CB PHE A 71 7.837 8.064 -2.227 1.00 0.82 C ATOM 1144 CG PHE A 71 8.896 8.672 -1.344 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.900 9.463 -1.883 1.00 1.50 C ATOM 1146 CD2 PHE A 71 8.887 8.451 0.023 1.00 1.92 C ATOM 1147 CE1 PHE A 71 10.872 10.022 -1.075 1.00 1.76 C ATOM 1148 CE2 PHE A 71 9.856 9.008 0.837 1.00 2.17 C ATOM 1149 CZ PHE A 71 10.851 9.793 0.287 1.00 1.76 C ATOM 0 H PHE A 71 9.697 7.968 -3.862 1.00 0.70 H new ATOM 0 HA PHE A 71 8.583 6.060 -2.131 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.558 8.786 -2.994 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.945 7.873 -1.630 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.922 9.644 -2.947 1.00 1.50 H new ATOM 0 HD2 PHE A 71 8.114 7.836 0.459 1.00 1.92 H new ATOM 0 HE1 PHE A 71 11.647 10.637 -1.508 1.00 1.76 H new ATOM 0 HE2 PHE A 71 9.835 8.830 1.902 1.00 2.17 H new ATOM 0 HZ PHE A 71 11.611 10.227 0.921 1.00 1.76 H new ATOM 1159 N GLN A 72 6.976 6.568 -4.945 1.00 0.59 N ATOM 1160 CA GLN A 72 5.983 6.015 -5.859 1.00 0.56 C ATOM 1161 C GLN A 72 6.274 4.548 -6.160 1.00 0.49 C ATOM 1162 O GLN A 72 5.368 3.721 -6.232 1.00 0.47 O ATOM 1163 CB GLN A 72 5.984 6.817 -7.161 1.00 0.69 C ATOM 1164 CG GLN A 72 5.091 6.241 -8.246 1.00 0.74 C ATOM 1165 CD GLN A 72 5.194 7.013 -9.544 1.00 1.08 C ATOM 1166 OE1 GLN A 72 4.472 7.985 -9.761 1.00 1.66 O ATOM 1167 NE2 GLN A 72 6.092 6.587 -10.417 1.00 1.66 N ATOM 0 H GLN A 72 7.562 7.292 -5.360 1.00 0.59 H new ATOM 0 HA GLN A 72 5.004 6.080 -5.385 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.665 7.837 -6.947 1.00 0.69 H new ATOM 0 HB3 GLN A 72 7.005 6.875 -7.539 1.00 0.69 H new ATOM 0 HG2 GLN A 72 5.362 5.200 -8.422 1.00 0.74 H new ATOM 0 HG3 GLN A 72 4.056 6.247 -7.903 1.00 0.74 H new ATOM 0 HE21 GLN A 72 6.671 5.777 -10.198 1.00 1.66 H new ATOM 0 HE22 GLN A 72 6.205 7.069 -11.309 1.00 1.66 H new ATOM 1176 N GLU A 73 7.541 4.233 -6.331 1.00 0.49 N ATOM 1177 CA GLU A 73 7.953 2.875 -6.637 1.00 0.46 C ATOM 1178 C GLU A 73 7.934 2.025 -5.372 1.00 0.36 C ATOM 1179 O GLU A 73 7.684 0.823 -5.413 1.00 0.32 O ATOM 1180 CB GLU A 73 9.328 2.905 -7.299 1.00 0.56 C ATOM 1181 CG GLU A 73 9.302 3.684 -8.605 1.00 0.78 C ATOM 1182 CD GLU A 73 10.672 3.995 -9.157 1.00 1.15 C ATOM 1183 OE1 GLU A 73 11.235 5.047 -8.790 1.00 1.99 O ATOM 1184 OE2 GLU A 73 11.169 3.222 -9.993 1.00 1.82 O ATOM 0 H GLU A 73 8.308 4.901 -6.263 1.00 0.49 H new ATOM 0 HA GLU A 73 7.255 2.416 -7.338 1.00 0.46 H new ATOM 0 HB2 GLU A 73 10.050 3.357 -6.619 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.664 1.886 -7.489 1.00 0.56 H new ATOM 0 HG2 GLU A 73 8.743 3.113 -9.346 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.763 4.618 -8.449 1.00 0.78 H new ATOM 1191 N PHE A 74 8.160 2.670 -4.243 1.00 0.37 N ATOM 1192 CA PHE A 74 7.983 2.034 -2.953 1.00 0.34 C ATOM 1193 C PHE A 74 6.497 1.840 -2.686 1.00 0.32 C ATOM 1194 O PHE A 74 6.094 0.989 -1.898 1.00 0.33 O ATOM 1195 CB PHE A 74 8.619 2.885 -1.853 1.00 0.43 C ATOM 1196 CG PHE A 74 8.555 2.252 -0.491 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.374 1.184 -0.171 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.674 2.727 0.467 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.316 0.598 1.079 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.612 2.145 1.718 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.434 1.080 2.024 1.00 1.89 C ATOM 0 H PHE A 74 8.469 3.641 -4.195 1.00 0.37 H new ATOM 0 HA PHE A 74 8.474 1.061 -2.958 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.662 3.074 -2.108 1.00 0.43 H new ATOM 0 HB3 PHE A 74 8.119 3.853 -1.819 1.00 0.43 H new ATOM 0 HD1 PHE A 74 10.067 0.804 -0.907 1.00 1.31 H new ATOM 0 HD2 PHE A 74 7.029 3.561 0.233 1.00 1.44 H new ATOM 0 HE1 PHE A 74 9.960 -0.236 1.316 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.920 2.523 2.456 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.387 0.624 3.002 1.00 1.89 H new ATOM 1211 N ILE A 75 5.686 2.620 -3.380 1.00 0.33 N ATOM 1212 CA ILE A 75 4.246 2.503 -3.283 1.00 0.35 C ATOM 1213 C ILE A 75 3.797 1.202 -3.926 1.00 0.34 C ATOM 1214 O ILE A 75 2.967 0.476 -3.376 1.00 0.36 O ATOM 1215 CB ILE A 75 3.556 3.722 -3.934 1.00 0.41 C ATOM 1216 CG1 ILE A 75 3.173 4.730 -2.863 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.345 3.324 -4.759 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.849 6.080 -3.428 1.00 0.67 C ATOM 0 H ILE A 75 6.006 3.346 -4.021 1.00 0.33 H new ATOM 0 HA ILE A 75 3.955 2.487 -2.233 1.00 0.35 H new ATOM 0 HB ILE A 75 4.267 4.180 -4.622 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.312 4.356 -2.310 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.992 4.826 -2.151 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.894 4.215 -5.196 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.654 2.646 -5.554 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.617 2.825 -4.119 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.583 6.759 -2.618 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.718 6.471 -3.958 1.00 0.67 H new ATOM 0 HD13 ILE A 75 2.011 5.993 -4.119 1.00 0.67 H new ATOM 1230 N SER A 76 4.377 0.892 -5.077 1.00 0.34 N ATOM 1231 CA SER A 76 4.145 -0.390 -5.700 1.00 0.36 C ATOM 1232 C SER A 76 4.736 -1.502 -4.840 1.00 0.31 C ATOM 1233 O SER A 76 4.208 -2.601 -4.800 1.00 0.33 O ATOM 1234 CB SER A 76 4.706 -0.410 -7.121 1.00 0.45 C ATOM 1235 OG SER A 76 5.863 0.403 -7.233 1.00 0.74 O ATOM 0 H SER A 76 5.006 1.510 -5.590 1.00 0.34 H new ATOM 0 HA SER A 76 3.071 -0.561 -5.777 1.00 0.36 H new ATOM 0 HB2 SER A 76 4.951 -1.434 -7.403 1.00 0.45 H new ATOM 0 HB3 SER A 76 3.945 -0.061 -7.819 1.00 0.45 H new ATOM 0 HG SER A 76 6.390 0.337 -6.409 1.00 0.74 H new ATOM 1241 N LEU A 77 5.810 -1.200 -4.116 1.00 0.28 N ATOM 1242 CA LEU A 77 6.397 -2.164 -3.187 1.00 0.26 C ATOM 1243 C LEU A 77 5.360 -2.585 -2.156 1.00 0.23 C ATOM 1244 O LEU A 77 5.196 -3.769 -1.879 1.00 0.23 O ATOM 1245 CB LEU A 77 7.643 -1.563 -2.501 1.00 0.30 C ATOM 1246 CG LEU A 77 8.334 -2.415 -1.416 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.643 -2.270 -0.067 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.385 -3.878 -1.825 1.00 1.15 C ATOM 0 H LEU A 77 6.290 -0.301 -4.153 1.00 0.28 H new ATOM 0 HA LEU A 77 6.713 -3.047 -3.743 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.379 -1.340 -3.274 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.355 -0.613 -2.051 1.00 0.30 H new ATOM 0 HG LEU A 77 9.354 -2.045 -1.315 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.157 -2.884 0.673 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.671 -1.226 0.246 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.606 -2.596 -0.152 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.877 -4.457 -1.044 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.371 -4.251 -1.970 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.944 -3.976 -2.756 1.00 1.15 H new ATOM 1260 N VAL A 78 4.650 -1.613 -1.605 1.00 0.24 N ATOM 1261 CA VAL A 78 3.634 -1.902 -0.610 1.00 0.25 C ATOM 1262 C VAL A 78 2.482 -2.655 -1.247 1.00 0.27 C ATOM 1263 O VAL A 78 1.789 -3.405 -0.588 1.00 0.28 O ATOM 1264 CB VAL A 78 3.100 -0.627 0.062 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.201 -0.985 1.230 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.250 0.259 0.512 1.00 0.31 C ATOM 0 H VAL A 78 4.759 -0.624 -1.829 1.00 0.24 H new ATOM 0 HA VAL A 78 4.103 -2.515 0.160 1.00 0.25 H new ATOM 0 HB VAL A 78 2.509 -0.069 -0.665 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.830 -0.072 1.697 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.359 -1.578 0.873 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.767 -1.562 1.961 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.854 1.157 0.986 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.870 -0.284 1.225 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.852 0.540 -0.352 1.00 0.31 H new ATOM 1276 N ALA A 79 2.287 -2.457 -2.538 1.00 0.31 N ATOM 1277 CA ALA A 79 1.298 -3.219 -3.280 1.00 0.35 C ATOM 1278 C ALA A 79 1.690 -4.695 -3.304 1.00 0.33 C ATOM 1279 O ALA A 79 0.879 -5.575 -3.013 1.00 0.33 O ATOM 1280 CB ALA A 79 1.177 -2.667 -4.691 1.00 0.43 C ATOM 0 H ALA A 79 2.801 -1.774 -3.095 1.00 0.31 H new ATOM 0 HA ALA A 79 0.328 -3.130 -2.790 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.434 -3.242 -5.244 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.869 -1.622 -4.648 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.141 -2.741 -5.194 1.00 0.43 H new ATOM 1286 N ILE A 80 2.952 -4.945 -3.639 1.00 0.32 N ATOM 1287 CA ILE A 80 3.531 -6.288 -3.607 1.00 0.32 C ATOM 1288 C ILE A 80 3.450 -6.862 -2.193 1.00 0.28 C ATOM 1289 O ILE A 80 3.137 -8.033 -1.997 1.00 0.31 O ATOM 1290 CB ILE A 80 5.020 -6.263 -4.060 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.155 -6.199 -5.589 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.777 -7.475 -3.531 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.477 -5.015 -6.238 1.00 0.40 C ATOM 0 H ILE A 80 3.605 -4.222 -3.941 1.00 0.32 H new ATOM 0 HA ILE A 80 2.962 -6.914 -4.294 1.00 0.32 H new ATOM 0 HB ILE A 80 5.458 -5.357 -3.640 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.214 -6.178 -5.845 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.742 -7.114 -6.014 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.814 -7.430 -3.864 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.745 -7.477 -2.441 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.314 -8.387 -3.909 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.627 -5.056 -7.317 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.410 -5.042 -6.019 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.905 -4.092 -5.847 1.00 0.40 H new ATOM 1305 N ALA A 81 3.715 -6.012 -1.217 1.00 0.23 N ATOM 1306 CA ALA A 81 3.792 -6.425 0.173 1.00 0.23 C ATOM 1307 C ALA A 81 2.413 -6.681 0.778 1.00 0.23 C ATOM 1308 O ALA A 81 2.239 -7.610 1.562 1.00 0.28 O ATOM 1309 CB ALA A 81 4.555 -5.380 0.963 1.00 0.24 C ATOM 0 H ALA A 81 3.883 -5.017 -1.365 1.00 0.23 H new ATOM 0 HA ALA A 81 4.325 -7.375 0.220 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.615 -5.686 2.007 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.561 -5.279 0.556 1.00 0.24 H new ATOM 0 HB3 ALA A 81 4.038 -4.423 0.895 1.00 0.24 H new ATOM 1315 N LEU A 82 1.440 -5.857 0.417 1.00 0.22 N ATOM 1316 CA LEU A 82 0.055 -6.082 0.817 1.00 0.23 C ATOM 1317 C LEU A 82 -0.441 -7.366 0.188 1.00 0.24 C ATOM 1318 O LEU A 82 -1.217 -8.118 0.784 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.837 -4.925 0.371 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.617 -3.598 1.093 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.449 -2.518 0.442 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.969 -3.720 2.562 1.00 0.31 C ATOM 0 H LEU A 82 1.583 -5.024 -0.154 1.00 0.22 H new ATOM 0 HA LEU A 82 0.013 -6.152 1.904 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.686 -4.765 -0.697 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.877 -5.221 0.505 1.00 0.25 H new ATOM 0 HG LEU A 82 0.437 -3.331 1.019 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.289 -1.573 0.961 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.156 -2.413 -0.603 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.504 -2.788 0.498 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.804 -2.763 3.056 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -2.016 -4.005 2.663 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.340 -4.480 3.025 1.00 0.31 H new ATOM 1334 N LYS A 83 0.019 -7.607 -1.028 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.275 -8.844 -1.712 1.00 0.33 C ATOM 1336 C LYS A 83 0.385 -10.007 -0.994 1.00 0.31 C ATOM 1337 O LYS A 83 -0.192 -11.071 -0.862 1.00 0.44 O ATOM 1338 CB LYS A 83 0.189 -8.787 -3.168 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.953 -8.797 -4.163 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.859 -9.981 -3.924 1.00 1.04 C ATOM 1341 CE LYS A 83 -3.137 -9.910 -4.735 1.00 0.80 C ATOM 1342 NZ LYS A 83 -3.846 -8.620 -4.566 1.00 1.67 N ATOM 0 H LYS A 83 0.599 -6.957 -1.559 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.355 -8.991 -1.706 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.784 -7.886 -3.317 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.842 -9.636 -3.367 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.524 -7.873 -4.078 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.557 -8.835 -5.178 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -1.325 -10.898 -4.173 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -2.108 -10.035 -2.864 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.903 -10.057 -5.789 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.797 -10.725 -4.439 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -4.837 -8.727 -4.861 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -3.811 -8.333 -3.567 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -3.387 -7.893 -5.151 1.00 1.67 H new ATOM 1356 N ALA A 84 1.600 -9.786 -0.528 1.00 0.31 N ATOM 1357 CA ALA A 84 2.312 -10.776 0.263 1.00 0.35 C ATOM 1358 C ALA A 84 1.611 -11.030 1.597 1.00 0.33 C ATOM 1359 O ALA A 84 1.827 -12.057 2.235 1.00 0.40 O ATOM 1360 CB ALA A 84 3.746 -10.330 0.487 1.00 0.48 C ATOM 0 H ALA A 84 2.119 -8.922 -0.685 1.00 0.31 H new ATOM 0 HA ALA A 84 2.317 -11.715 -0.290 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.271 -11.078 1.081 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.245 -10.214 -0.475 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.752 -9.377 1.016 1.00 0.48 H new ATOM 1366 N ALA A 85 0.796 -10.075 2.028 1.00 0.30 N ATOM 1367 CA ALA A 85 0.052 -10.209 3.272 1.00 0.38 C ATOM 1368 C ALA A 85 -1.205 -11.065 3.086 1.00 0.44 C ATOM 1369 O ALA A 85 -1.397 -12.046 3.798 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.308 -8.839 3.823 1.00 0.43 C ATOM 0 H ALA A 85 0.634 -9.198 1.533 1.00 0.30 H new ATOM 0 HA ALA A 85 0.693 -10.719 3.992 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.864 -8.956 4.753 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.604 -8.272 4.014 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.922 -8.305 3.098 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.055 -10.704 2.125 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.312 -11.432 1.914 1.00 0.59 C ATOM 1378 C HIS A 86 -3.100 -12.650 1.014 1.00 0.63 C ATOM 1379 O HIS A 86 -3.504 -13.761 1.342 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.379 -10.518 1.302 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.742 -11.149 1.231 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.540 -11.352 2.337 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.445 -11.628 0.176 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.669 -11.926 1.965 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.638 -12.103 0.659 1.00 2.68 N ATOM 0 H HIS A 86 -1.902 -9.923 1.487 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.657 -11.774 2.890 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.442 -9.602 1.890 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.068 -10.231 0.298 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.125 -11.635 -0.855 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.481 -12.204 2.620 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.380 -12.524 0.099 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.439 -12.418 -0.106 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.152 -13.446 -1.105 1.00 0.65 C ATOM 1396 C TYR A 87 -0.871 -14.199 -0.729 1.00 0.62 C ATOM 1397 O TYR A 87 -0.145 -14.669 -1.599 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.045 -12.832 -2.508 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.097 -13.841 -3.637 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.224 -14.629 -3.838 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -1.026 -13.993 -4.509 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -3.281 -15.541 -4.873 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -1.076 -14.906 -5.545 1.00 1.55 C ATOM 1404 CZ TYR A 87 -2.206 -15.676 -5.724 1.00 1.29 C ATOM 1405 OH TYR A 87 -2.263 -16.581 -6.759 1.00 1.52 O ATOM 0 H TYR A 87 -2.078 -11.497 -0.356 1.00 0.58 H new ATOM 0 HA TYR A 87 -2.977 -14.158 -1.122 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.855 -12.115 -2.640 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.111 -12.275 -2.577 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.069 -14.526 -3.174 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -0.141 -13.388 -4.375 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -4.164 -16.146 -5.015 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -0.234 -15.016 -6.212 1.00 1.55 H new ATOM 0 HH TYR A 87 -1.425 -16.552 -7.266 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.557 -14.162 0.574 1.00 0.59 N ATOM 1416 CA HIS A 88 0.633 -14.785 1.208 1.00 0.62 C ATOM 1417 C HIS A 88 0.942 -16.248 0.796 1.00 0.69 C ATOM 1418 O HIS A 88 1.653 -16.953 1.510 1.00 0.75 O ATOM 1419 CB HIS A 88 0.474 -14.723 2.737 1.00 0.65 C ATOM 1420 CG HIS A 88 -0.770 -15.384 3.268 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -1.785 -14.683 3.886 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -1.159 -16.682 3.279 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -2.738 -15.517 4.250 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -2.384 -16.734 3.894 1.00 3.26 N ATOM 0 H HIS A 88 -1.146 -13.678 1.252 1.00 0.59 H new ATOM 0 HA HIS A 88 1.481 -14.204 0.846 1.00 0.62 H new ATOM 0 HB2 HIS A 88 1.343 -15.192 3.198 1.00 0.65 H new ATOM 0 HB3 HIS A 88 0.474 -13.678 3.046 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -1.796 -13.674 4.038 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -0.607 -17.520 2.878 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -3.654 -15.248 4.755 1.00 3.25 H new ATOM 1433 N THR A 89 0.431 -16.692 -0.333 1.00 0.73 N ATOM 1434 CA THR A 89 0.673 -18.033 -0.852 1.00 0.81 C ATOM 1435 C THR A 89 1.993 -18.079 -1.629 1.00 0.72 C ATOM 1436 O THR A 89 2.191 -18.935 -2.495 1.00 1.05 O ATOM 1437 CB THR A 89 -0.493 -18.461 -1.762 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.326 -19.814 -2.209 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.619 -17.532 -2.964 1.00 0.89 C ATOM 0 H THR A 89 -0.174 -16.127 -0.929 1.00 0.73 H new ATOM 0 HA THR A 89 0.743 -18.725 -0.013 1.00 0.81 H new ATOM 0 HB THR A 89 -1.408 -18.397 -1.173 1.00 0.97 H new ATOM 0 HG1 THR A 89 0.594 -19.944 -2.521 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.450 -17.857 -3.590 1.00 0.89 H new ATOM 0 HG22 THR A 89 -0.801 -16.514 -2.620 1.00 0.89 H new ATOM 0 HG23 THR A 89 0.304 -17.559 -3.543 1.00 0.89 H new ATOM 1447 N HIS A 90 2.873 -17.138 -1.284 1.00 0.65 N ATOM 1448 CA HIS A 90 4.151 -16.886 -1.963 1.00 0.64 C ATOM 1449 C HIS A 90 3.934 -15.895 -3.073 1.00 0.93 C ATOM 1450 O HIS A 90 3.742 -16.257 -4.231 1.00 1.77 O ATOM 1451 CB HIS A 90 4.846 -18.132 -2.519 1.00 0.91 C ATOM 1452 CG HIS A 90 5.374 -19.065 -1.469 1.00 1.72 C ATOM 1453 ND1 HIS A 90 6.712 -19.166 -1.149 1.00 2.44 N ATOM 1454 CD2 HIS A 90 4.733 -19.944 -0.663 1.00 2.68 C ATOM 1455 CE1 HIS A 90 6.867 -20.063 -0.193 1.00 3.33 C ATOM 1456 NE2 HIS A 90 5.683 -20.546 0.120 1.00 3.47 N ATOM 0 H HIS A 90 2.713 -16.508 -0.498 1.00 0.65 H new ATOM 0 HA HIS A 90 4.822 -16.495 -1.198 1.00 0.64 H new ATOM 0 HB2 HIS A 90 4.142 -18.675 -3.150 1.00 0.91 H new ATOM 0 HB3 HIS A 90 5.671 -17.819 -3.158 1.00 0.91 H new ATOM 0 HD2 HIS A 90 3.670 -20.135 -0.641 1.00 2.68 H new ATOM 0 HE1 HIS A 90 7.806 -20.352 0.256 1.00 3.33 H new ATOM 0 HE2 HIS A 90 5.502 -21.254 0.831 1.00 3.47 H new ATOM 1578 N GLU B 5 3.569 -7.539 10.958 1.00 1.20 N ATOM 1579 CA GLU B 5 2.918 -7.250 9.688 1.00 0.94 C ATOM 1580 C GLU B 5 1.813 -6.225 9.883 1.00 0.69 C ATOM 1581 O GLU B 5 0.971 -6.045 9.013 1.00 0.69 O ATOM 1582 CB GLU B 5 2.312 -8.516 9.078 1.00 1.39 C ATOM 1583 CG GLU B 5 3.305 -9.631 8.824 1.00 1.80 C ATOM 1584 CD GLU B 5 2.679 -10.787 8.079 1.00 2.48 C ATOM 1585 OE1 GLU B 5 1.966 -11.597 8.711 1.00 3.00 O ATOM 1586 OE2 GLU B 5 2.890 -10.889 6.856 1.00 3.10 O ATOM 0 HA GLU B 5 3.677 -6.856 9.012 1.00 0.94 H new ATOM 0 HB2 GLU B 5 1.532 -8.886 9.743 1.00 1.39 H new ATOM 0 HB3 GLU B 5 1.830 -8.255 8.136 1.00 1.39 H new ATOM 0 HG2 GLU B 5 4.147 -9.243 8.250 1.00 1.80 H new ATOM 0 HG3 GLU B 5 3.703 -9.985 9.775 1.00 1.80 H new ATOM 1593 N GLU B 6 1.838 -5.543 11.021 1.00 0.68 N ATOM 1594 CA GLU B 6 0.749 -4.649 11.415 1.00 0.67 C ATOM 1595 C GLU B 6 0.476 -3.591 10.340 1.00 0.54 C ATOM 1596 O GLU B 6 -0.667 -3.227 10.096 1.00 0.60 O ATOM 1597 CB GLU B 6 1.083 -3.991 12.759 1.00 0.78 C ATOM 1598 CG GLU B 6 -0.134 -3.615 13.597 1.00 1.06 C ATOM 1599 CD GLU B 6 -0.934 -2.470 13.015 1.00 1.78 C ATOM 1600 OE1 GLU B 6 -0.395 -1.352 12.941 1.00 2.48 O ATOM 1601 OE2 GLU B 6 -2.111 -2.673 12.648 1.00 2.51 O ATOM 0 H GLU B 6 2.604 -5.590 11.693 1.00 0.68 H new ATOM 0 HA GLU B 6 -0.161 -5.239 11.524 1.00 0.67 H new ATOM 0 HB2 GLU B 6 1.710 -4.670 13.336 1.00 0.78 H new ATOM 0 HB3 GLU B 6 1.672 -3.093 12.573 1.00 0.78 H new ATOM 0 HG2 GLU B 6 -0.781 -4.487 13.696 1.00 1.06 H new ATOM 0 HG3 GLU B 6 0.194 -3.346 14.601 1.00 1.06 H new ATOM 1608 N HIS B 7 1.518 -3.122 9.674 1.00 0.42 N ATOM 1609 CA HIS B 7 1.345 -2.122 8.630 1.00 0.38 C ATOM 1610 C HIS B 7 0.664 -2.722 7.398 1.00 0.35 C ATOM 1611 O HIS B 7 -0.409 -2.274 7.001 1.00 0.39 O ATOM 1612 CB HIS B 7 2.687 -1.476 8.262 1.00 0.43 C ATOM 1613 CG HIS B 7 3.130 -0.417 9.236 1.00 0.95 C ATOM 1614 ND1 HIS B 7 4.404 -0.349 9.763 1.00 1.73 N ATOM 1615 CD2 HIS B 7 2.452 0.629 9.767 1.00 1.60 C ATOM 1616 CE1 HIS B 7 4.485 0.693 10.576 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.315 1.303 10.595 1.00 2.03 N ATOM 0 H HIS B 7 2.483 -3.412 9.834 1.00 0.42 H new ATOM 0 HA HIS B 7 0.693 -1.340 9.020 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.452 -2.251 8.207 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.609 -1.035 7.268 1.00 0.43 H new ATOM 0 HD2 HIS B 7 1.421 0.886 9.574 1.00 1.60 H new ATOM 0 HE1 HIS B 7 5.362 0.993 11.131 1.00 2.16 H new ATOM 0 HE2 HIS B 7 3.089 2.138 11.136 1.00 2.03 H new ATOM 1626 N LEU B 8 1.268 -3.757 6.821 1.00 0.34 N ATOM 1627 CA LEU B 8 0.734 -4.393 5.613 1.00 0.33 C ATOM 1628 C LEU B 8 -0.541 -5.170 5.914 1.00 0.34 C ATOM 1629 O LEU B 8 -1.613 -4.862 5.395 1.00 0.34 O ATOM 1630 CB LEU B 8 1.764 -5.353 5.037 1.00 0.33 C ATOM 1631 CG LEU B 8 3.107 -4.722 4.692 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.048 -5.768 4.147 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.931 -3.589 3.692 1.00 0.33 C ATOM 0 H LEU B 8 2.130 -4.177 7.169 1.00 0.34 H new ATOM 0 HA LEU B 8 0.506 -3.604 4.896 1.00 0.33 H new ATOM 0 HB2 LEU B 8 1.930 -6.157 5.754 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.351 -5.809 4.137 1.00 0.33 H new ATOM 0 HG LEU B 8 3.537 -4.305 5.603 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.005 -5.306 3.904 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.201 -6.546 4.895 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.619 -6.210 3.247 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.903 -3.154 3.461 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.480 -3.977 2.778 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.283 -2.824 4.120 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.414 -6.158 6.781 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.514 -7.048 7.093 1.00 0.40 C ATOM 1647 C GLU B 9 -2.577 -6.294 7.878 1.00 0.40 C ATOM 1648 O GLU B 9 -3.740 -6.664 7.866 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.995 -8.267 7.869 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.937 -9.463 7.891 1.00 1.24 C ATOM 1651 CD GLU B 9 -3.032 -9.351 8.933 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -2.709 -9.078 10.111 1.00 2.41 O ATOM 1653 OE2 GLU B 9 -4.213 -9.565 8.590 1.00 2.16 O ATOM 0 H GLU B 9 0.449 -6.364 7.285 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.970 -7.409 6.171 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.046 -8.579 7.434 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.791 -7.965 8.896 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.393 -9.575 6.907 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -1.359 -10.368 8.079 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.175 -5.216 8.539 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.134 -4.372 9.216 1.00 0.43 C ATOM 1662 C GLY B 10 -4.078 -3.700 8.243 1.00 0.39 C ATOM 1663 O GLY B 10 -5.283 -3.652 8.479 1.00 0.44 O ATOM 0 H GLY B 10 -1.204 -4.913 8.617 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.707 -4.970 9.925 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.606 -3.613 9.793 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.536 -3.190 7.139 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.360 -2.585 6.096 1.00 0.33 C ATOM 1669 C ILE B 11 -5.251 -3.646 5.454 1.00 0.33 C ATOM 1670 O ILE B 11 -6.434 -3.413 5.196 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.496 -1.899 5.015 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.684 -0.759 5.634 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.368 -1.375 3.883 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.733 -0.088 4.667 1.00 1.16 C ATOM 0 H ILE B 11 -2.535 -3.184 6.944 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.981 -1.821 6.563 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.808 -2.637 4.603 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.370 -0.011 6.031 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.114 -1.148 6.478 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.740 -0.895 3.132 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.910 -2.204 3.427 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.080 -0.650 4.278 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.194 0.709 5.180 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -1.021 -0.822 4.288 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.297 0.333 3.835 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.672 -4.818 5.226 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.417 -5.965 4.719 1.00 0.38 C ATOM 1688 C VAL B 12 -6.554 -6.329 5.676 1.00 0.40 C ATOM 1689 O VAL B 12 -7.676 -6.605 5.254 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.478 -7.169 4.523 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.252 -8.421 4.144 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.447 -6.841 3.460 1.00 0.48 C ATOM 0 H VAL B 12 -3.681 -5.000 5.385 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.848 -5.698 3.754 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.973 -7.370 5.468 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.559 -9.252 4.013 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.963 -8.663 4.934 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.790 -8.248 3.212 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.783 -7.694 3.322 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.952 -6.618 2.520 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.865 -5.974 3.773 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.248 -6.297 6.967 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.220 -6.566 8.021 1.00 0.49 C ATOM 1704 C ASN B 13 -8.343 -5.534 8.005 1.00 0.48 C ATOM 1705 O ASN B 13 -9.502 -5.865 8.253 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.524 -6.560 9.387 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.489 -6.719 10.548 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.019 -5.738 11.072 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.715 -7.953 10.969 1.00 1.42 N ATOM 0 H ASN B 13 -5.313 -6.083 7.315 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.656 -7.549 7.842 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.791 -7.366 9.418 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.975 -5.626 9.504 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -8.347 -8.117 11.753 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -7.258 -8.740 10.510 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.994 -4.287 7.711 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.979 -3.216 7.628 1.00 0.57 C ATOM 1718 C ILE B 14 -9.996 -3.510 6.529 1.00 0.53 C ATOM 1719 O ILE B 14 -11.205 -3.429 6.753 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.313 -1.841 7.374 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.386 -1.469 8.535 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -9.363 -0.758 7.175 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -8.083 -1.383 9.878 1.00 2.06 C ATOM 0 H ILE B 14 -7.035 -3.993 7.526 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.490 -3.170 8.590 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.720 -1.918 6.463 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -6.587 -2.207 8.599 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -6.917 -0.509 8.319 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -8.870 0.198 6.998 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -9.987 -1.009 6.317 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.985 -0.686 8.067 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -7.359 -1.115 10.647 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -8.864 -0.624 9.835 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -8.528 -2.348 10.119 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.511 -3.887 5.349 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.404 -4.220 4.246 1.00 0.59 C ATOM 1737 C PHE B 15 -11.156 -5.507 4.565 1.00 0.61 C ATOM 1738 O PHE B 15 -12.329 -5.650 4.247 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.623 -4.367 2.939 1.00 0.69 C ATOM 1740 CG PHE B 15 -10.500 -4.448 1.718 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -11.294 -3.374 1.349 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -10.528 -5.592 0.940 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -12.098 -3.440 0.228 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -11.331 -5.665 -0.183 1.00 2.54 C ATOM 1745 CZ PHE B 15 -12.116 -4.587 -0.540 1.00 2.58 C ATOM 0 H PHE B 15 -8.517 -3.969 5.134 1.00 0.48 H new ATOM 0 HA PHE B 15 -11.121 -3.409 4.119 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.945 -3.520 2.833 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.006 -5.264 2.993 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -11.284 -2.474 1.946 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -9.915 -6.438 1.213 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -12.712 -2.595 -0.047 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -11.344 -6.565 -0.780 1.00 2.54 H new ATOM 0 HZ PHE B 15 -12.743 -4.641 -1.418 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.464 -6.424 5.232 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.044 -7.691 5.675 1.00 0.72 C ATOM 1757 C HIS B 16 -12.185 -7.457 6.670 1.00 0.75 C ATOM 1758 O HIS B 16 -13.067 -8.301 6.832 1.00 0.88 O ATOM 1759 CB HIS B 16 -9.943 -8.546 6.317 1.00 0.77 C ATOM 1760 CG HIS B 16 -10.407 -9.851 6.890 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -10.525 -10.074 8.245 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -10.752 -11.012 6.289 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -10.920 -11.314 8.451 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -11.066 -11.902 7.282 1.00 2.23 N ATOM 0 H HIS B 16 -9.482 -6.311 5.483 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.460 -8.212 4.813 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.177 -8.747 5.568 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.469 -7.966 7.109 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -10.776 -11.202 5.226 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -11.094 -11.770 9.414 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -11.365 -12.867 7.139 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.150 -6.313 7.336 1.00 0.70 N ATOM 1774 CA GLN B 17 -13.162 -5.965 8.321 1.00 0.82 C ATOM 1775 C GLN B 17 -14.431 -5.456 7.645 1.00 0.93 C ATOM 1776 O GLN B 17 -15.508 -6.029 7.819 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.615 -4.903 9.279 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.638 -4.393 10.280 1.00 1.27 C ATOM 1779 CD GLN B 17 -13.091 -3.276 11.143 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -11.898 -3.227 11.439 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -13.959 -2.361 11.542 1.00 2.77 N ATOM 0 H GLN B 17 -11.426 -5.605 7.211 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.414 -6.863 8.885 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.766 -5.319 9.822 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.239 -4.061 8.697 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -14.520 -4.038 9.746 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -13.961 -5.216 10.917 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -14.940 -2.438 11.275 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -13.647 -1.578 12.117 1.00 2.77 H new ATOM 1955 N LEU B 28 -17.678 -6.140 -2.287 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.464 -5.366 -2.546 1.00 0.90 C ATOM 1957 C LEU B 28 -16.776 -4.143 -3.402 1.00 0.71 C ATOM 1958 O LEU B 28 -16.059 -3.836 -4.344 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.404 -6.228 -3.247 1.00 1.66 C ATOM 1960 CG LEU B 28 -15.028 -7.535 -2.542 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -13.878 -8.210 -3.267 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.665 -7.284 -1.089 1.00 2.37 C ATOM 0 HA LEU B 28 -16.070 -5.036 -1.585 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -15.763 -6.468 -4.248 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -14.500 -5.631 -3.368 1.00 1.66 H new ATOM 0 HG LEU B 28 -15.894 -8.196 -2.564 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.620 -9.138 -2.756 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -14.174 -8.431 -4.293 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -13.013 -7.547 -3.274 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -14.402 -8.228 -0.611 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -13.816 -6.603 -1.039 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -15.516 -6.841 -0.573 1.00 2.37 H new ATOM 1974 N SER B 29 -17.852 -3.450 -3.087 1.00 0.61 N ATOM 1975 CA SER B 29 -18.291 -2.351 -3.926 1.00 0.48 C ATOM 1976 C SER B 29 -17.934 -0.993 -3.320 1.00 0.44 C ATOM 1977 O SER B 29 -17.321 -0.931 -2.250 1.00 0.53 O ATOM 1978 CB SER B 29 -19.788 -2.462 -4.180 1.00 0.55 C ATOM 1979 OG SER B 29 -20.123 -3.769 -4.623 1.00 1.35 O ATOM 0 H SER B 29 -18.433 -3.624 -2.267 1.00 0.61 H new ATOM 0 HA SER B 29 -17.764 -2.419 -4.878 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.336 -2.230 -3.267 1.00 0.55 H new ATOM 0 HB3 SER B 29 -20.091 -1.729 -4.928 1.00 0.55 H new ATOM 0 HG SER B 29 -21.089 -3.824 -4.780 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.323 0.088 -3.989 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.927 1.431 -3.572 1.00 0.36 C ATOM 1987 C LYS B 30 -18.432 1.757 -2.170 1.00 0.36 C ATOM 1988 O LYS B 30 -17.760 2.450 -1.422 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.438 2.478 -4.563 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.849 3.862 -4.343 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.477 4.917 -5.250 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.324 4.588 -6.732 1.00 0.52 C ATOM 1993 NZ LYS B 30 -19.432 3.736 -7.248 1.00 1.32 N ATOM 0 H LYS B 30 -18.912 0.061 -4.822 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.837 1.455 -3.555 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.206 2.151 -5.576 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.524 2.538 -4.488 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.991 4.152 -3.302 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.774 3.828 -4.521 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -19.536 5.012 -5.011 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -18.017 5.884 -5.048 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -18.287 5.515 -7.304 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -17.374 4.077 -6.891 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.037 2.873 -7.674 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -20.064 3.477 -6.464 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -19.969 4.262 -7.966 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.606 1.248 -1.815 1.00 0.39 N ATOM 2008 CA GLY B 31 -20.176 1.530 -0.505 1.00 0.40 C ATOM 2009 C GLY B 31 -19.273 1.109 0.637 1.00 0.38 C ATOM 2010 O GLY B 31 -19.085 1.857 1.598 1.00 0.39 O ATOM 0 H GLY B 31 -20.175 0.645 -2.409 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.379 2.598 -0.426 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -21.133 1.016 -0.413 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.705 -0.083 0.526 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.847 -0.618 1.573 1.00 0.50 C ATOM 2016 C GLU B 32 -16.534 0.144 1.621 1.00 0.42 C ATOM 2017 O GLU B 32 -16.023 0.467 2.696 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.592 -2.101 1.330 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.874 -2.917 1.231 1.00 0.96 C ATOM 2020 CD GLU B 32 -18.645 -4.410 1.343 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -17.862 -4.960 0.540 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -19.252 -5.040 2.239 1.00 2.43 O ATOM 0 H GLU B 32 -18.823 -0.698 -0.279 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.349 -0.500 2.534 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -17.020 -2.220 0.410 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.978 -2.496 2.140 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -19.559 -2.602 2.018 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -19.361 -2.702 0.280 1.00 0.96 H new ATOM 2029 N LEU B 33 -16.004 0.443 0.444 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.782 1.213 0.324 1.00 0.34 C ATOM 2031 C LEU B 33 -14.984 2.604 0.901 1.00 0.30 C ATOM 2032 O LEU B 33 -14.141 3.108 1.620 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.382 1.313 -1.141 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.980 1.869 -1.401 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.922 0.943 -0.821 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.751 2.073 -2.888 1.00 0.46 C ATOM 0 H LEU B 33 -16.409 0.159 -0.448 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.989 0.713 0.880 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.450 0.321 -1.587 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -15.106 1.944 -1.656 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.900 2.837 -0.906 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.932 1.355 -1.016 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -12.071 0.849 0.255 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -12.004 -0.040 -1.286 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.749 2.469 -3.051 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.853 1.119 -3.406 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.487 2.777 -3.276 1.00 0.46 H new ATOM 2048 N LYS B 34 -16.124 3.201 0.582 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.486 4.526 1.069 1.00 0.31 C ATOM 2050 C LYS B 34 -16.479 4.568 2.591 1.00 0.35 C ATOM 2051 O LYS B 34 -15.887 5.464 3.192 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.872 4.907 0.543 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.466 6.142 1.206 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.902 6.380 0.772 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.495 7.596 1.463 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.930 7.787 1.127 1.00 1.87 N ATOM 0 H LYS B 34 -16.827 2.779 -0.024 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.748 5.241 0.705 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.807 5.079 -0.531 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.550 4.066 0.691 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.428 6.027 2.289 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.862 7.014 0.957 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.939 6.519 -0.308 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.503 5.500 1.001 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -20.387 7.487 2.542 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -19.934 8.485 1.175 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -22.293 8.628 1.620 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -22.032 7.917 0.100 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -22.471 6.950 1.425 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.138 3.591 3.204 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.177 3.478 4.649 1.00 0.43 C ATOM 2072 C GLN B 35 -15.762 3.428 5.198 1.00 0.43 C ATOM 2073 O GLN B 35 -15.390 4.248 6.032 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.961 2.230 5.048 1.00 0.50 C ATOM 2075 CG GLN B 35 -17.945 1.953 6.538 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.676 0.677 6.900 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -18.724 -0.270 6.115 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -19.247 0.639 8.092 1.00 2.06 N ATOM 0 H GLN B 35 -17.656 2.862 2.713 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.679 4.349 5.070 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.994 2.340 4.719 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.549 1.369 4.522 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -16.912 1.886 6.880 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.401 2.791 7.065 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -19.184 1.445 8.713 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -19.750 -0.197 8.390 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.971 2.492 4.685 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.580 2.352 5.076 1.00 0.39 C ATOM 2089 C LEU B 36 -12.851 3.686 4.935 1.00 0.38 C ATOM 2090 O LEU B 36 -12.329 4.215 5.894 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.919 1.281 4.200 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.487 0.880 4.568 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.215 -0.531 4.078 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.474 1.841 3.959 1.00 0.40 C ATOM 0 H LEU B 36 -15.278 1.813 3.989 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.524 2.048 6.121 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.541 0.386 4.229 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.919 1.636 3.170 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.385 0.921 5.652 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -10.196 -0.817 4.340 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.917 -1.221 4.547 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.336 -0.570 2.995 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.466 1.532 4.237 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.570 1.831 2.873 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.660 2.849 4.330 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.874 4.238 3.741 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.108 5.432 3.411 1.00 0.35 C ATOM 2108 C LEU B 37 -12.471 6.624 4.287 1.00 0.41 C ATOM 2109 O LEU B 37 -11.589 7.303 4.814 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.323 5.781 1.945 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.820 4.725 0.962 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.203 5.085 -0.462 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.317 4.560 1.095 1.00 0.32 C ATOM 0 H LEU B 37 -13.426 3.873 2.964 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.058 5.209 3.598 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.388 5.940 1.775 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.822 6.725 1.732 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.294 3.774 1.202 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.834 4.318 -1.143 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.288 5.149 -0.542 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.762 6.047 -0.725 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.970 3.805 0.390 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.826 5.509 0.881 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.074 4.247 2.110 1.00 0.32 H new ATOM 2125 N THR B 38 -13.760 6.865 4.454 1.00 0.45 N ATOM 2126 CA THR B 38 -14.230 8.034 5.177 1.00 0.53 C ATOM 2127 C THR B 38 -13.825 7.991 6.647 1.00 0.59 C ATOM 2128 O THR B 38 -13.534 9.024 7.247 1.00 0.67 O ATOM 2129 CB THR B 38 -15.761 8.182 5.073 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.398 6.947 5.418 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.175 8.594 3.671 1.00 1.03 C ATOM 0 H THR B 38 -14.503 6.264 4.097 1.00 0.45 H new ATOM 0 HA THR B 38 -13.757 8.898 4.710 1.00 0.53 H new ATOM 0 HB THR B 38 -16.073 8.960 5.769 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.289 6.307 4.684 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.260 8.691 3.626 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.714 9.550 3.422 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.848 7.837 2.958 1.00 1.03 H new ATOM 2139 N LYS B 39 -13.815 6.801 7.228 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.522 6.671 8.645 1.00 0.67 C ATOM 2141 C LYS B 39 -12.056 6.326 8.910 1.00 0.65 C ATOM 2142 O LYS B 39 -11.496 6.724 9.932 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.445 5.634 9.279 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.233 4.223 8.763 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.496 3.379 8.886 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.019 3.340 10.315 1.00 0.87 C ATOM 2147 NZ LYS B 39 -15.003 2.822 11.273 1.00 1.62 N ATOM 0 H LYS B 39 -14.004 5.922 6.746 1.00 0.58 H new ATOM 0 HA LYS B 39 -13.703 7.642 9.105 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.296 5.641 10.359 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.480 5.925 9.098 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -13.921 4.261 7.719 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.424 3.750 9.320 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.267 3.782 8.229 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.288 2.364 8.548 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.322 4.343 10.617 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.909 2.712 10.357 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -15.443 2.685 12.205 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -14.632 1.913 10.928 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -14.223 3.505 11.355 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.435 5.609 7.983 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.087 5.095 8.189 1.00 0.58 C ATOM 2163 C GLU B 40 -9.046 6.082 7.690 1.00 0.56 C ATOM 2164 O GLU B 40 -8.055 6.350 8.369 1.00 0.64 O ATOM 2165 CB GLU B 40 -9.903 3.752 7.467 1.00 0.58 C ATOM 2166 CG GLU B 40 -10.772 2.632 8.007 1.00 0.88 C ATOM 2167 CD GLU B 40 -10.579 2.402 9.487 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -9.442 2.098 9.903 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -11.573 2.515 10.234 1.00 1.63 O ATOM 0 H GLU B 40 -11.844 5.370 7.080 1.00 0.57 H new ATOM 0 HA GLU B 40 -9.950 4.949 9.261 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.122 3.888 6.408 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -8.857 3.453 7.540 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -11.819 2.866 7.814 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.546 1.712 7.469 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.287 6.636 6.511 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.290 7.455 5.836 1.00 0.49 C ATOM 2178 C LEU B 41 -8.771 8.894 5.730 1.00 0.53 C ATOM 2179 O LEU B 41 -8.349 9.644 4.843 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.001 6.886 4.442 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.751 5.373 4.391 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.326 4.947 2.996 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.709 4.954 5.421 1.00 1.42 C ATOM 0 H LEU B 41 -10.165 6.534 6.001 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.370 7.441 6.420 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -8.842 7.121 3.790 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.129 7.396 4.033 1.00 0.43 H new ATOM 0 HG LEU B 41 -8.686 4.870 4.635 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.154 3.871 2.981 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.112 5.199 2.284 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.407 5.465 2.721 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.552 3.877 5.362 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -5.770 5.469 5.219 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -7.059 5.216 6.420 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.655 9.262 6.655 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.273 10.587 6.688 1.00 0.64 C ATOM 2197 C ALA B 42 -9.258 11.721 6.559 1.00 0.71 C ATOM 2198 O ALA B 42 -9.497 12.700 5.849 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.062 10.757 7.975 1.00 0.71 C ATOM 0 H ALA B 42 -9.965 8.646 7.407 1.00 0.58 H new ATOM 0 HA ALA B 42 -10.935 10.647 5.824 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.520 11.746 7.993 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -11.840 9.996 8.028 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.393 10.651 8.829 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.127 11.582 7.229 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.157 12.662 7.314 1.00 0.83 C ATOM 2207 C ASN B 43 -5.982 12.447 6.373 1.00 0.83 C ATOM 2208 O ASN B 43 -4.986 13.165 6.451 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.648 12.798 8.747 1.00 1.00 C ATOM 2210 CG ASN B 43 -7.720 13.277 9.703 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -8.450 12.478 10.285 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -7.818 14.586 9.875 1.00 2.16 N ATOM 0 H ASN B 43 -7.857 10.731 7.723 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.663 13.579 7.013 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -6.268 11.835 9.087 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -5.811 13.496 8.767 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -8.520 14.966 10.511 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -7.192 15.215 9.372 1.00 2.16 H new ATOM 2219 N THR B 44 -6.100 11.487 5.470 1.00 0.65 N ATOM 2220 CA THR B 44 -5.003 11.177 4.571 1.00 0.61 C ATOM 2221 C THR B 44 -5.328 11.632 3.160 1.00 0.59 C ATOM 2222 O THR B 44 -4.672 12.514 2.602 1.00 0.66 O ATOM 2223 CB THR B 44 -4.708 9.670 4.563 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.603 9.198 5.910 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.411 9.381 3.826 1.00 0.52 C ATOM 0 H THR B 44 -6.935 10.915 5.341 1.00 0.65 H new ATOM 0 HA THR B 44 -4.121 11.708 4.929 1.00 0.61 H new ATOM 0 HB THR B 44 -5.523 9.158 4.051 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.891 8.262 5.952 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.220 8.308 3.832 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.492 9.729 2.796 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.589 9.898 4.320 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.359 11.033 2.599 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.777 11.336 1.247 1.00 0.51 C ATOM 2235 C ILE B 45 -7.601 12.619 1.244 1.00 0.59 C ATOM 2236 O ILE B 45 -8.503 12.777 2.069 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.603 10.175 0.666 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.813 8.860 0.737 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -8.010 10.481 -0.771 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.566 7.669 0.179 1.00 0.35 C ATOM 0 H ILE B 45 -6.928 10.326 3.065 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.893 11.473 0.625 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.507 10.061 1.264 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.878 8.977 0.189 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.551 8.659 1.776 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.594 9.651 -1.169 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.611 11.390 -0.793 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -7.117 10.621 -1.380 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.947 6.776 0.262 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.488 7.525 0.742 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.805 7.848 -0.869 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.265 13.541 0.340 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.931 14.841 0.285 1.00 0.74 C ATOM 2254 C LYS B 46 -9.434 14.661 0.148 1.00 0.68 C ATOM 2255 O LYS B 46 -9.899 13.951 -0.741 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.377 15.708 -0.870 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.990 15.456 -2.250 1.00 0.79 C ATOM 2258 CD LYS B 46 -9.220 16.333 -2.481 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.800 16.147 -3.874 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.951 16.752 -4.938 1.00 1.61 N ATOM 0 H LYS B 46 -6.537 13.411 -0.362 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.726 15.364 1.219 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.525 16.757 -0.614 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.301 15.545 -0.937 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -7.247 15.657 -3.022 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -8.268 14.406 -2.341 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.980 16.094 -1.737 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.951 17.379 -2.337 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.920 15.082 -4.073 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.794 16.593 -3.911 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.410 16.625 -5.862 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -8.828 17.767 -4.749 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -8.021 16.286 -4.947 1.00 1.61 H new ATOM 2274 N ASN B 47 -10.175 15.280 1.061 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.634 15.261 1.031 1.00 0.67 C ATOM 2276 C ASN B 47 -12.174 13.860 0.785 1.00 0.59 C ATOM 2277 O ASN B 47 -13.117 13.684 0.019 1.00 0.57 O ATOM 2278 CB ASN B 47 -12.168 16.197 -0.049 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.939 17.661 0.262 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.905 18.226 -0.085 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.908 18.288 0.909 1.00 1.24 N ATOM 0 H ASN B 47 -9.783 15.808 1.841 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.974 15.600 2.010 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.690 15.955 -0.998 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.236 16.022 -0.176 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.812 19.277 1.137 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.751 17.782 1.179 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.586 12.868 1.440 1.00 0.56 N ATOM 2289 CA ILE B 48 -12.005 11.478 1.271 1.00 0.48 C ATOM 2290 C ILE B 48 -13.439 11.284 1.768 1.00 0.48 C ATOM 2291 O ILE B 48 -14.024 10.211 1.658 1.00 0.44 O ATOM 2292 CB ILE B 48 -11.057 10.522 2.021 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.294 9.070 1.596 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.235 10.668 3.521 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -11.169 8.844 0.105 1.00 0.38 C ATOM 0 H ILE B 48 -10.815 12.998 2.095 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.964 11.244 0.207 1.00 0.48 H new ATOM 0 HB ILE B 48 -10.033 10.789 1.762 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.580 8.428 2.113 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.289 8.764 1.919 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.558 9.986 4.036 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -11.011 11.693 3.816 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.264 10.430 3.790 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.350 7.793 -0.120 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.901 9.459 -0.419 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -10.166 9.118 -0.222 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.993 12.348 2.314 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.352 12.347 2.810 1.00 0.57 C ATOM 2309 C LYS B 49 -16.315 12.623 1.670 1.00 0.55 C ATOM 2310 O LYS B 49 -17.524 12.428 1.789 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.499 13.413 3.884 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.392 13.366 4.920 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.301 12.000 5.583 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.473 11.726 6.512 1.00 0.83 C ATOM 2315 NZ LYS B 49 -15.555 12.717 7.618 1.00 1.11 N ATOM 0 H LYS B 49 -13.511 13.240 2.426 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.582 11.371 3.238 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.508 14.396 3.414 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.461 13.289 4.382 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.440 13.605 4.446 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.571 14.128 5.679 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.262 11.228 4.814 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.371 11.935 6.147 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -16.400 11.745 5.940 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.377 10.724 6.930 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -16.152 12.338 8.380 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -14.601 12.906 7.987 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -15.969 13.602 7.261 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.761 13.091 0.566 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.540 13.437 -0.608 1.00 0.56 C ATOM 2331 C ASP B 50 -16.699 12.241 -1.515 1.00 0.50 C ATOM 2332 O ASP B 50 -15.726 11.587 -1.878 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.866 14.577 -1.368 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.131 15.934 -0.748 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -15.639 16.193 0.370 1.00 1.56 O ATOM 2336 OD2 ASP B 50 -16.840 16.750 -1.370 1.00 1.59 O ATOM 0 H ASP B 50 -14.758 13.242 0.459 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.528 13.759 -0.280 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.791 14.401 -1.399 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -16.219 14.579 -2.399 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.939 11.962 -1.881 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.243 10.854 -2.768 1.00 0.48 C ATOM 2343 C LYS B 51 -17.645 11.106 -4.138 1.00 0.49 C ATOM 2344 O LYS B 51 -17.350 10.175 -4.869 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.747 10.670 -2.908 1.00 0.53 C ATOM 2346 CG LYS B 51 -20.227 9.236 -2.692 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.562 8.243 -3.642 1.00 0.60 C ATOM 2348 CE LYS B 51 -19.921 8.504 -5.101 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.381 8.388 -5.359 1.00 0.92 N ATOM 0 H LYS B 51 -18.755 12.492 -1.575 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.813 9.950 -2.338 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -20.249 11.321 -2.192 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -20.050 10.996 -3.903 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -20.023 8.940 -1.663 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -21.308 9.195 -2.828 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.480 8.298 -3.522 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -19.862 7.230 -3.373 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.584 9.502 -5.382 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -19.386 7.797 -5.735 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.553 8.388 -6.385 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -21.737 7.501 -4.948 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.875 9.193 -4.925 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.476 12.373 -4.486 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.847 12.728 -5.743 1.00 0.60 C ATOM 2365 C ALA B 52 -15.397 12.307 -5.703 1.00 0.57 C ATOM 2366 O ALA B 52 -14.846 11.813 -6.683 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.949 14.217 -5.996 1.00 0.67 C ATOM 0 H ALA B 52 -17.765 13.168 -3.916 1.00 0.55 H new ATOM 0 HA ALA B 52 -17.360 12.213 -6.555 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -16.470 14.459 -6.945 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.999 14.508 -6.035 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.452 14.758 -5.191 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.809 12.476 -4.533 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.431 12.092 -4.298 1.00 0.53 C ATOM 2375 C VAL B 53 -13.330 10.578 -4.264 1.00 0.47 C ATOM 2376 O VAL B 53 -12.502 9.980 -4.942 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.914 12.690 -2.972 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.624 12.019 -2.518 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.690 14.184 -3.119 1.00 0.60 C ATOM 0 H VAL B 53 -15.273 12.883 -3.721 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.813 12.481 -5.107 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.675 12.509 -2.213 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.291 12.467 -1.582 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.801 10.954 -2.368 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.856 12.156 -3.279 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.326 14.592 -2.176 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.954 14.366 -3.902 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.630 14.668 -3.385 1.00 0.60 H new ATOM 2389 N ILE B 54 -14.212 9.969 -3.495 1.00 0.42 N ATOM 2390 CA ILE B 54 -14.265 8.520 -3.378 1.00 0.36 C ATOM 2391 C ILE B 54 -14.504 7.851 -4.724 1.00 0.38 C ATOM 2392 O ILE B 54 -13.942 6.797 -5.007 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.368 8.114 -2.407 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -15.004 8.631 -1.022 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.578 6.601 -2.399 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.987 8.243 0.046 1.00 0.38 C ATOM 0 H ILE B 54 -14.910 10.459 -2.935 1.00 0.42 H new ATOM 0 HA ILE B 54 -13.297 8.187 -3.002 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.313 8.554 -2.725 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -14.018 8.253 -0.750 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.930 9.718 -1.058 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.371 6.347 -1.696 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.858 6.267 -3.398 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.654 6.107 -2.097 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.661 8.647 1.005 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.970 8.644 -0.201 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.044 7.156 0.111 1.00 0.38 H new ATOM 2408 N ASP B 55 -15.331 8.472 -5.547 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.651 7.934 -6.861 1.00 0.47 C ATOM 2410 C ASP B 55 -14.399 7.944 -7.710 1.00 0.48 C ATOM 2411 O ASP B 55 -14.073 6.969 -8.372 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.733 8.776 -7.532 1.00 0.54 C ATOM 2413 CG ASP B 55 -17.676 7.952 -8.390 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.365 7.723 -9.577 1.00 1.53 O ATOM 2415 OD2 ASP B 55 -18.745 7.545 -7.885 1.00 1.43 O ATOM 0 H ASP B 55 -15.796 9.353 -5.329 1.00 0.43 H new ATOM 0 HA ASP B 55 -16.023 6.915 -6.753 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.308 9.297 -6.766 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -16.261 9.539 -8.150 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.692 9.063 -7.648 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.414 9.232 -8.320 1.00 0.53 C ATOM 2422 C GLU B 56 -11.437 8.118 -7.946 1.00 0.47 C ATOM 2423 O GLU B 56 -10.834 7.488 -8.817 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.829 10.586 -7.933 1.00 0.58 C ATOM 2425 CG GLU B 56 -12.526 11.770 -8.583 1.00 0.69 C ATOM 2426 CD GLU B 56 -12.619 11.640 -10.088 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -11.597 11.855 -10.767 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -13.720 11.331 -10.599 1.00 1.77 O ATOM 0 H GLU B 56 -13.993 9.886 -7.125 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.575 9.184 -9.397 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.882 10.697 -6.850 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.774 10.605 -8.205 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -13.529 11.868 -8.168 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.988 12.685 -8.334 1.00 0.69 H new ATOM 2435 N ILE B 57 -11.296 7.878 -6.647 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.411 6.842 -6.138 1.00 0.39 C ATOM 2437 C ILE B 57 -10.885 5.464 -6.578 1.00 0.36 C ATOM 2438 O ILE B 57 -10.123 4.681 -7.146 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.370 6.891 -4.598 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.355 7.927 -4.089 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -10.055 5.527 -4.011 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.636 9.355 -4.498 1.00 1.00 C ATOM 0 H ILE B 57 -11.791 8.396 -5.921 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.414 7.022 -6.540 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.363 7.194 -4.266 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -9.323 7.877 -3.001 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -8.365 7.650 -4.450 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -10.033 5.595 -2.923 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -10.822 4.814 -4.315 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -9.083 5.191 -4.373 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -8.865 10.009 -4.090 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -9.636 9.429 -5.586 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -10.610 9.659 -4.113 1.00 1.00 H new ATOM 2454 N PHE B 58 -12.154 5.190 -6.312 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.744 3.898 -6.598 1.00 0.36 C ATOM 2456 C PHE B 58 -12.594 3.565 -8.070 1.00 0.41 C ATOM 2457 O PHE B 58 -12.206 2.460 -8.428 1.00 0.44 O ATOM 2458 CB PHE B 58 -14.220 3.896 -6.204 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.928 2.614 -6.523 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.771 1.501 -5.714 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -15.755 2.523 -7.628 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -15.426 0.323 -6.003 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -16.410 1.350 -7.922 1.00 1.67 C ATOM 2464 CZ PHE B 58 -16.246 0.247 -7.107 1.00 0.93 C ATOM 0 H PHE B 58 -12.800 5.859 -5.892 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.223 3.139 -6.015 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.301 4.089 -5.134 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.724 4.716 -6.715 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.129 1.557 -4.848 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -15.888 3.383 -8.267 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -15.296 -0.539 -5.365 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -17.052 1.291 -8.789 1.00 1.67 H new ATOM 0 HZ PHE B 58 -16.761 -0.675 -7.335 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.884 4.544 -8.913 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.756 4.387 -10.350 1.00 0.52 C ATOM 2476 C GLN B 59 -11.298 4.206 -10.750 1.00 0.52 C ATOM 2477 O GLN B 59 -10.999 3.625 -11.795 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.350 5.595 -11.072 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.868 5.660 -11.011 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.462 6.392 -12.195 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -15.643 7.608 -12.169 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -15.765 5.655 -13.250 1.00 1.63 N ATOM 0 H GLN B 59 -13.213 5.464 -8.621 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.307 3.493 -10.642 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.939 6.506 -10.636 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.038 5.572 -12.116 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -15.271 4.648 -10.973 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.171 6.158 -10.090 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -15.600 4.649 -13.233 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -16.164 6.093 -14.081 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.393 4.703 -9.915 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.978 4.528 -10.168 1.00 0.49 C ATOM 2493 C GLY B 60 -8.533 3.100 -9.923 1.00 0.47 C ATOM 2494 O GLY B 60 -7.547 2.637 -10.501 1.00 0.53 O ATOM 0 H GLY B 60 -10.616 5.224 -9.067 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.756 4.806 -11.198 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.409 5.201 -9.527 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.258 2.400 -9.059 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.939 1.014 -8.750 1.00 0.44 C ATOM 2500 C LEU B 61 -9.781 0.080 -9.608 1.00 0.51 C ATOM 2501 O LEU B 61 -9.271 -0.898 -10.158 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.184 0.710 -7.269 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.182 1.924 -6.343 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.750 1.545 -4.988 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.774 2.491 -6.199 1.00 0.35 C ATOM 0 H LEU B 61 -10.068 2.769 -8.562 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.883 0.855 -8.966 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -10.144 0.203 -7.174 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.420 0.012 -6.927 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.812 2.698 -6.781 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.745 2.417 -4.334 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.773 1.189 -5.109 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -9.141 0.756 -4.546 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.796 3.355 -5.535 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.116 1.729 -5.781 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.402 2.795 -7.178 1.00 0.35 H new ATOM 2517 N ASP B 62 -11.066 0.407 -9.714 1.00 0.51 N ATOM 2518 CA ASP B 62 -12.022 -0.370 -10.503 1.00 0.59 C ATOM 2519 C ASP B 62 -11.773 -0.150 -11.994 1.00 0.70 C ATOM 2520 O ASP B 62 -12.532 0.537 -12.680 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.457 0.033 -10.121 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.534 -0.727 -10.883 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.638 -1.962 -10.723 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -15.306 -0.085 -11.625 1.00 1.11 O ATOM 0 H ASP B 62 -11.476 1.220 -9.255 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.891 -1.431 -10.290 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.598 -0.130 -9.053 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.584 1.101 -10.300 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.686 -0.729 -12.478 1.00 0.78 N ATOM 2530 CA ALA B 63 -10.269 -0.566 -13.863 1.00 0.94 C ATOM 2531 C ALA B 63 -11.153 -1.367 -14.805 1.00 1.12 C ATOM 2532 O ALA B 63 -11.390 -0.963 -15.944 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.818 -0.989 -14.022 1.00 1.00 C ATOM 0 H ALA B 63 -10.069 -1.324 -11.925 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.369 0.488 -14.124 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.514 -0.864 -15.061 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -8.187 -0.372 -13.383 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.711 -2.035 -13.736 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.645 -2.497 -14.321 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.487 -3.373 -15.127 1.00 1.28 C ATOM 2541 C ASN B 64 -13.904 -2.828 -15.218 1.00 1.22 C ATOM 2542 O ASN B 64 -14.726 -3.322 -15.989 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.501 -4.791 -14.557 1.00 1.34 C ATOM 2544 CG ASN B 64 -11.176 -5.509 -14.728 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -10.429 -5.249 -15.670 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -10.877 -6.423 -13.817 1.00 2.80 N ATOM 0 H ASN B 64 -11.476 -2.831 -13.372 1.00 1.10 H new ATOM 0 HA ASN B 64 -12.065 -3.409 -16.132 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -12.751 -4.749 -13.497 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -13.286 -5.366 -15.047 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -10.000 -6.940 -13.882 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -11.523 -6.610 -13.050 1.00 2.80 H new ATOM 2553 N GLN B 65 -14.167 -1.797 -14.413 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.423 -1.053 -14.455 1.00 1.06 C ATOM 2555 C GLN B 65 -16.614 -1.931 -14.088 1.00 1.04 C ATOM 2556 O GLN B 65 -17.667 -1.866 -14.723 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.620 -0.428 -15.837 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.560 0.603 -16.187 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.679 1.102 -17.609 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -14.073 0.549 -18.525 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -15.467 2.143 -17.803 1.00 2.58 N ATOM 0 H GLN B 65 -13.511 -1.455 -13.711 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.364 -0.259 -13.711 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -15.612 -1.217 -16.589 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.602 0.042 -15.879 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -14.640 1.447 -15.502 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -13.572 0.166 -16.041 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -15.951 2.571 -17.013 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -15.592 2.520 -18.743 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.453 -2.732 -13.046 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.525 -3.608 -12.584 1.00 0.95 C ATOM 2572 C ASP B 66 -18.105 -3.095 -11.279 1.00 0.81 C ATOM 2573 O ASP B 66 -19.007 -3.709 -10.701 1.00 0.82 O ATOM 2574 CB ASP B 66 -17.026 -5.044 -12.380 1.00 1.06 C ATOM 2575 CG ASP B 66 -16.750 -5.769 -13.678 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -17.696 -5.949 -14.476 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -15.593 -6.190 -13.895 1.00 2.14 O ATOM 0 H ASP B 66 -15.592 -2.795 -12.503 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.296 -3.610 -13.354 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -16.115 -5.024 -11.782 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -17.769 -5.602 -11.810 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.573 -1.964 -10.825 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.923 -1.393 -9.531 1.00 0.63 C ATOM 2584 C GLU B 67 -17.609 -2.377 -8.411 1.00 0.58 C ATOM 2585 O GLU B 67 -18.368 -2.518 -7.449 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.388 -0.951 -9.477 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.639 0.402 -10.123 1.00 0.97 C ATOM 2588 CD GLU B 67 -21.053 0.895 -9.903 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.343 1.390 -8.793 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -21.877 0.800 -10.834 1.00 2.00 O ATOM 0 H GLU B 67 -16.886 -1.418 -11.345 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.314 -0.500 -9.391 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -20.004 -1.701 -9.973 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.709 -0.913 -8.436 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -18.936 1.130 -9.718 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.444 0.332 -11.193 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.477 -3.049 -8.547 1.00 0.62 N ATOM 2598 CA GLN B 68 -16.003 -3.973 -7.533 1.00 0.66 C ATOM 2599 C GLN B 68 -14.520 -3.754 -7.293 1.00 0.66 C ATOM 2600 O GLN B 68 -13.708 -3.940 -8.195 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.235 -5.428 -7.956 1.00 0.86 C ATOM 2602 CG GLN B 68 -17.693 -5.853 -7.979 1.00 1.38 C ATOM 2603 CD GLN B 68 -17.864 -7.308 -8.367 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -17.864 -8.196 -7.515 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -18.011 -7.566 -9.657 1.00 2.07 N ATOM 0 H GLN B 68 -15.865 -2.969 -9.359 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.563 -3.784 -6.617 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.811 -5.576 -8.949 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.690 -6.082 -7.276 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -18.132 -5.688 -6.995 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -18.241 -5.225 -8.682 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -18.006 -6.803 -10.334 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -18.130 -8.528 -9.974 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.176 -3.359 -6.083 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.787 -3.191 -5.708 1.00 0.64 C ATOM 2616 C VAL B 69 -12.247 -4.474 -5.066 1.00 0.64 C ATOM 2617 O VAL B 69 -12.605 -4.836 -3.946 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.599 -1.972 -4.762 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -13.519 -2.049 -3.551 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -11.151 -1.847 -4.323 1.00 1.22 C ATOM 0 H VAL B 69 -14.843 -3.148 -5.341 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.214 -2.992 -6.614 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.870 -1.080 -5.326 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -13.357 -1.179 -2.915 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -14.557 -2.067 -3.883 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.303 -2.956 -2.987 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -11.044 -0.987 -3.662 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -10.852 -2.751 -3.793 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -10.516 -1.713 -5.198 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.407 -5.177 -5.811 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.757 -6.389 -5.318 1.00 0.73 C ATOM 2632 C ASP B 70 -9.669 -6.021 -4.314 1.00 0.64 C ATOM 2633 O ASP B 70 -9.343 -4.849 -4.170 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.148 -7.160 -6.497 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.511 -8.478 -6.104 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -10.210 -9.507 -6.113 1.00 2.02 O ATOM 2637 OD2 ASP B 70 -8.304 -8.489 -5.795 1.00 1.98 O ATOM 0 H ASP B 70 -11.156 -4.929 -6.768 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.495 -7.019 -4.822 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.927 -7.350 -7.236 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.397 -6.534 -6.979 1.00 0.84 H new ATOM 2642 N PHE B 71 -9.103 -7.003 -3.629 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.977 -6.751 -2.739 1.00 0.67 C ATOM 2644 C PHE B 71 -6.808 -6.166 -3.536 1.00 0.56 C ATOM 2645 O PHE B 71 -6.050 -5.341 -3.036 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.544 -8.042 -2.036 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.598 -8.634 -1.141 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.603 -9.435 -1.662 1.00 1.50 C ATOM 2649 CD2 PHE B 71 -8.585 -8.389 0.223 1.00 1.93 C ATOM 2650 CE1 PHE B 71 -10.570 -9.981 -0.841 1.00 1.76 C ATOM 2651 CE2 PHE B 71 -9.550 -8.931 1.050 1.00 2.18 C ATOM 2652 CZ PHE B 71 -10.545 -9.728 0.517 1.00 1.77 C ATOM 0 H PHE B 71 -9.402 -7.977 -3.671 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.286 -6.035 -1.978 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.266 -8.779 -2.790 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.651 -7.840 -1.444 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.630 -9.634 -2.723 1.00 1.50 H new ATOM 0 HD2 PHE B 71 -7.810 -7.766 0.645 1.00 1.93 H new ATOM 0 HE1 PHE B 71 -11.345 -10.605 -1.260 1.00 1.76 H new ATOM 0 HE2 PHE B 71 -9.527 -8.732 2.111 1.00 2.18 H new ATOM 0 HZ PHE B 71 -11.301 -10.152 1.161 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.686 -6.601 -4.786 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.696 -6.067 -5.716 1.00 0.57 C ATOM 2664 C GLN B 72 -5.989 -4.607 -6.045 1.00 0.50 C ATOM 2665 O GLN B 72 -5.085 -3.779 -6.130 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.704 -6.897 -7.002 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.818 -6.341 -8.102 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.921 -7.138 -9.385 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -4.183 -8.102 -9.595 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -5.825 -6.733 -10.261 1.00 1.66 N ATOM 0 H GLN B 72 -7.272 -7.335 -5.184 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.714 -6.122 -5.246 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -5.382 -7.912 -6.769 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.727 -6.964 -7.373 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -5.094 -5.305 -8.298 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.782 -6.336 -7.763 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -6.417 -5.930 -10.049 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -5.930 -7.224 -11.149 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.258 -4.295 -6.220 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.669 -2.942 -6.551 1.00 0.47 C ATOM 2681 C GLU B 73 -7.644 -2.069 -5.302 1.00 0.36 C ATOM 2682 O GLU B 73 -7.395 -0.866 -5.367 1.00 0.33 O ATOM 2683 CB GLU B 73 -9.046 -2.980 -7.204 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.034 -3.783 -8.497 1.00 0.78 C ATOM 2685 CD GLU B 73 -10.415 -4.097 -9.023 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -10.977 -5.135 -8.625 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -10.928 -3.333 -9.857 1.00 1.82 O ATOM 0 H GLU B 73 -8.026 -4.962 -6.138 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.973 -2.500 -7.264 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.765 -3.417 -6.511 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.379 -1.963 -7.410 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -8.482 -3.228 -9.255 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -8.496 -4.716 -8.331 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.868 -2.691 -4.161 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.688 -2.031 -2.882 1.00 0.34 C ATOM 2696 C PHE B 74 -6.202 -1.831 -2.624 1.00 0.32 C ATOM 2697 O PHE B 74 -5.797 -0.966 -1.853 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.322 -2.859 -1.764 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.254 -2.202 -0.414 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -9.073 -1.127 -0.112 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.370 -2.658 0.550 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -9.012 -0.519 1.127 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.305 -2.054 1.791 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.127 -0.984 2.079 1.00 1.90 C ATOM 0 H PHE B 74 -8.178 -3.661 -4.094 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.180 -1.059 -2.903 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.366 -3.051 -2.013 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.823 -3.827 -1.713 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.767 -0.760 -0.853 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.724 -3.495 0.329 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -9.656 0.319 1.351 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.612 -2.419 2.534 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.078 -0.511 3.048 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.393 -2.626 -3.305 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.954 -2.506 -3.215 1.00 0.36 C ATOM 2716 C ILE B 75 -3.509 -1.217 -3.885 1.00 0.34 C ATOM 2717 O ILE B 75 -2.679 -0.480 -3.352 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.267 -3.737 -3.843 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.879 -4.724 -2.754 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -2.058 -3.354 -4.678 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.556 -6.085 -3.295 1.00 0.67 C ATOM 0 H ILE B 75 -5.715 -3.365 -3.929 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.658 -2.469 -2.166 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.981 -4.209 -4.518 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -2.016 -4.339 -2.211 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.696 -4.807 -2.037 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.607 -4.253 -5.099 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.369 -2.691 -5.485 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.329 -2.843 -4.049 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.286 -6.748 -2.473 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.426 -6.486 -3.814 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.721 -6.011 -3.991 1.00 0.67 H new ATOM 2733 N SER B 76 -4.093 -0.932 -5.043 1.00 0.34 N ATOM 2734 CA SER B 76 -3.863 0.337 -5.690 1.00 0.36 C ATOM 2735 C SER B 76 -4.449 1.467 -4.848 1.00 0.31 C ATOM 2736 O SER B 76 -3.920 2.565 -4.829 1.00 0.33 O ATOM 2737 CB SER B 76 -4.429 0.334 -7.113 1.00 0.45 C ATOM 2738 OG SER B 76 -5.608 -0.450 -7.210 1.00 0.74 O ATOM 0 H SER B 76 -4.722 -1.561 -5.543 1.00 0.34 H new ATOM 0 HA SER B 76 -2.789 0.503 -5.773 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.647 1.357 -7.420 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.678 -0.052 -7.802 1.00 0.45 H new ATOM 0 HG SER B 76 -6.230 -0.195 -6.497 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.519 1.179 -4.112 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.104 2.163 -3.201 1.00 0.26 C ATOM 2746 C LEU B 77 -5.065 2.602 -2.182 1.00 0.23 C ATOM 2747 O LEU B 77 -4.901 3.792 -1.926 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.347 1.575 -2.500 1.00 0.30 C ATOM 2749 CG LEU B 77 -8.035 2.447 -1.429 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.340 2.326 -0.077 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.086 3.902 -1.864 1.00 1.14 C ATOM 0 H LEU B 77 -5.998 0.278 -4.127 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.421 3.035 -3.773 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.085 1.337 -3.266 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.057 0.634 -2.033 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.055 2.079 -1.319 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.852 2.954 0.653 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.367 1.288 0.255 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.303 2.650 -0.171 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.576 4.496 -1.092 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.072 4.272 -2.018 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.647 3.984 -2.795 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.353 1.642 -1.615 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.335 1.950 -0.627 1.00 0.25 C ATOM 2765 C VAL B 78 -2.185 2.692 -1.281 1.00 0.27 C ATOM 2766 O VAL B 78 -1.492 3.455 -0.636 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.798 0.689 0.068 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.894 1.069 1.227 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.946 -0.190 0.538 1.00 0.31 C ATOM 0 H VAL B 78 -4.461 0.649 -1.821 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.803 2.576 0.133 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.209 0.119 -0.650 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.521 0.165 1.709 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.053 1.655 0.856 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.457 1.660 1.949 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.547 -1.078 1.028 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.565 0.366 1.242 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.550 -0.488 -0.319 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.993 2.468 -2.568 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.006 3.217 -3.327 1.00 0.36 C ATOM 2781 C ALA B 79 -1.398 4.693 -3.380 1.00 0.33 C ATOM 2782 O ALA B 79 -0.584 5.579 -3.112 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.889 2.639 -4.727 1.00 0.43 C ATOM 0 H ALA B 79 -2.507 1.774 -3.110 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.036 3.138 -2.837 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.148 3.203 -5.293 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.581 1.595 -4.665 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.854 2.703 -5.229 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.661 4.935 -3.716 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.239 6.278 -3.706 1.00 0.32 C ATOM 2791 C ILE B 80 -3.152 6.877 -2.305 1.00 0.28 C ATOM 2792 O ILE B 80 -2.842 8.053 -2.133 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.730 6.243 -4.153 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.870 6.150 -5.677 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.486 7.464 -3.643 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.196 4.954 -6.306 1.00 0.40 C ATOM 0 H ILE B 80 -3.315 4.206 -4.003 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.673 6.893 -4.405 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.166 5.345 -3.715 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -5.930 6.125 -5.929 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.458 7.056 -6.121 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.524 7.412 -3.971 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.450 7.486 -2.554 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.025 8.369 -4.039 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.350 4.975 -7.385 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.128 4.984 -6.091 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.623 4.039 -5.896 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.414 6.046 -1.313 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.488 6.486 0.068 1.00 0.23 C ATOM 2810 C ALA B 81 -2.107 6.756 0.665 1.00 0.23 C ATOM 2811 O ALA B 81 -1.930 7.700 1.428 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.250 5.459 0.881 1.00 0.24 C ATOM 0 H ALA B 81 -3.581 5.048 -1.442 1.00 0.23 H new ATOM 0 HA ALA B 81 -4.021 7.436 0.097 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.307 5.786 1.919 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.257 5.351 0.478 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.734 4.500 0.831 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.134 5.925 0.319 1.00 0.22 N ATOM 2819 CA LEU B 82 0.251 6.157 0.710 1.00 0.23 C ATOM 2820 C LEU B 82 0.744 7.429 0.056 1.00 0.24 C ATOM 2821 O LEU B 82 1.528 8.191 0.631 1.00 0.30 O ATOM 2822 CB LEU B 82 1.141 4.992 0.283 1.00 0.25 C ATOM 2823 CG LEU B 82 0.922 3.678 1.028 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.752 2.585 0.395 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.280 3.826 2.496 1.00 0.32 C ATOM 0 H LEU B 82 -1.278 5.080 -0.234 1.00 0.22 H new ATOM 0 HA LEU B 82 0.297 6.247 1.795 1.00 0.23 H new ATOM 0 HB2 LEU B 82 0.987 4.814 -0.781 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.182 5.290 0.409 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.133 3.411 0.960 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.592 1.650 0.931 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.457 2.461 -0.647 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.807 2.855 0.444 1.00 0.33 H new ATOM 0 HD21 LEU B 82 1.116 2.878 3.008 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.328 4.112 2.588 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.653 4.595 2.948 1.00 0.32 H new ATOM 2837 N LYS B 83 0.279 7.648 -1.163 1.00 0.26 N ATOM 2838 CA LYS B 83 0.570 8.871 -1.872 1.00 0.33 C ATOM 2839 C LYS B 83 -0.088 10.047 -1.174 1.00 0.31 C ATOM 2840 O LYS B 83 0.494 11.112 -1.061 1.00 0.44 O ATOM 2841 CB LYS B 83 0.102 8.784 -3.326 1.00 0.42 C ATOM 2842 CG LYS B 83 1.243 8.775 -4.322 1.00 0.66 C ATOM 2843 CD LYS B 83 2.152 9.965 -4.108 1.00 1.04 C ATOM 2844 CE LYS B 83 3.429 9.881 -4.918 1.00 0.80 C ATOM 2845 NZ LYS B 83 4.132 8.589 -4.739 1.00 1.67 N ATOM 0 H LYS B 83 -0.303 6.988 -1.679 1.00 0.26 H new ATOM 0 HA LYS B 83 1.650 9.019 -1.873 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.492 7.879 -3.456 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.553 9.629 -3.541 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.814 7.852 -4.219 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.846 8.793 -5.337 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.618 10.877 -4.374 1.00 1.04 H new ATOM 0 HD3 LYS B 83 2.403 10.039 -3.050 1.00 1.04 H new ATOM 0 HE2 LYS B 83 3.195 10.020 -5.974 1.00 0.80 H new ATOM 0 HE3 LYS B 83 4.093 10.695 -4.628 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 5.105 8.670 -5.098 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 4.155 8.344 -3.729 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 3.630 7.845 -5.264 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.301 9.837 -0.700 1.00 0.31 N ATOM 2860 CA ALA B 84 -2.011 10.841 0.075 1.00 0.35 C ATOM 2861 C ALA B 84 -1.304 11.119 1.401 1.00 0.33 C ATOM 2862 O ALA B 84 -1.517 12.160 2.018 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.444 10.399 0.311 1.00 0.48 C ATOM 0 H ALA B 84 -1.821 8.971 -0.839 1.00 0.31 H new ATOM 0 HA ALA B 84 -2.019 11.770 -0.494 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.968 11.158 0.892 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.946 10.265 -0.647 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.449 9.456 0.857 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.488 10.174 1.848 1.00 0.30 N ATOM 2870 CA ALA B 85 0.259 10.332 3.086 1.00 0.38 C ATOM 2871 C ALA B 85 1.516 11.182 2.881 1.00 0.44 C ATOM 2872 O ALA B 85 1.717 12.175 3.577 1.00 0.57 O ATOM 2873 CB ALA B 85 0.621 8.972 3.662 1.00 0.42 C ATOM 0 H ALA B 85 -0.327 9.288 1.369 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.380 10.857 3.796 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.180 9.106 4.588 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.290 8.409 3.866 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.233 8.424 2.945 1.00 0.42 H new ATOM 2879 N HIS B 86 2.362 10.804 1.923 1.00 0.44 N ATOM 2880 CA HIS B 86 3.618 11.528 1.691 1.00 0.59 C ATOM 2881 C HIS B 86 3.400 12.728 0.768 1.00 0.63 C ATOM 2882 O HIS B 86 3.795 13.848 1.071 1.00 0.72 O ATOM 2883 CB HIS B 86 4.683 10.600 1.094 1.00 0.69 C ATOM 2884 CG HIS B 86 6.047 11.229 1.008 1.00 1.28 C ATOM 2885 ND1 HIS B 86 6.851 11.449 2.106 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.744 11.689 -0.059 1.00 2.11 C ATOM 2887 CE1 HIS B 86 7.978 12.016 1.718 1.00 2.66 C ATOM 2888 NE2 HIS B 86 7.939 12.171 0.410 1.00 2.68 N ATOM 0 H HIS B 86 2.207 10.011 1.300 1.00 0.44 H new ATOM 0 HA HIS B 86 3.969 11.891 2.657 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.746 9.696 1.699 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.369 10.294 0.096 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.418 11.678 -1.089 1.00 2.11 H new ATOM 0 HE1 HIS B 86 8.794 12.304 2.364 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.677 12.583 -0.161 1.00 2.68 H new ATOM 2897 N TYR B 87 2.741 12.472 -0.345 1.00 0.58 N ATOM 2898 CA TYR B 87 2.450 13.480 -1.362 1.00 0.65 C ATOM 2899 C TYR B 87 1.171 14.241 -0.994 1.00 0.62 C ATOM 2900 O TYR B 87 0.450 14.703 -1.869 1.00 0.66 O ATOM 2901 CB TYR B 87 2.339 12.839 -2.753 1.00 0.69 C ATOM 2902 CG TYR B 87 2.388 13.826 -3.903 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.513 14.610 -4.122 1.00 1.63 C ATOM 2904 CD2 TYR B 87 1.314 13.962 -4.774 1.00 1.43 C ATOM 2905 CE1 TYR B 87 3.565 15.505 -5.174 1.00 1.80 C ATOM 2906 CE2 TYR B 87 1.358 14.855 -5.828 1.00 1.54 C ATOM 2907 CZ TYR B 87 2.486 15.625 -6.024 1.00 1.29 C ATOM 2908 OH TYR B 87 2.535 16.517 -7.073 1.00 1.51 O ATOM 0 H TYR B 87 2.384 11.545 -0.578 1.00 0.58 H new ATOM 0 HA TYR B 87 3.275 14.192 -1.397 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.148 12.119 -2.873 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.405 12.281 -2.809 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.361 14.519 -3.460 1.00 1.63 H new ATOM 0 HD2 TYR B 87 0.430 13.360 -4.625 1.00 1.43 H new ATOM 0 HE1 TYR B 87 4.447 16.108 -5.330 1.00 1.80 H new ATOM 0 HE2 TYR B 87 0.514 14.950 -6.495 1.00 1.54 H new ATOM 0 HH TYR B 87 1.695 16.477 -7.576 1.00 1.51 H new ATOM 2918 N HIS B 88 0.860 14.226 0.310 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.328 14.863 0.938 1.00 0.62 C ATOM 2920 C HIS B 88 -0.636 16.317 0.502 1.00 0.70 C ATOM 2921 O HIS B 88 -1.331 17.037 1.213 1.00 0.76 O ATOM 2922 CB HIS B 88 -0.164 14.831 2.467 1.00 0.65 C ATOM 2923 CG HIS B 88 1.083 15.501 2.977 1.00 1.54 C ATOM 2924 ND1 HIS B 88 2.100 14.814 3.603 1.00 2.37 N ATOM 2925 CD2 HIS B 88 1.471 16.800 2.961 1.00 2.40 C ATOM 2926 CE1 HIS B 88 3.057 15.657 3.947 1.00 3.26 C ATOM 2927 NE2 HIS B 88 2.700 16.867 3.569 1.00 3.27 N ATOM 0 H HIS B 88 1.449 13.751 0.994 1.00 0.59 H new ATOM 0 HA HIS B 88 -1.177 14.275 0.589 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -1.031 15.310 2.922 1.00 0.65 H new ATOM 0 HB3 HIS B 88 -0.164 13.792 2.798 1.00 0.65 H new ATOM 0 HD1 HIS B 88 2.112 13.809 3.775 1.00 2.37 H new ATOM 0 HD2 HIS B 88 0.916 17.629 2.547 1.00 2.40 H new ATOM 0 HE1 HIS B 88 3.976 15.398 4.452 1.00 3.26 H new ATOM 2936 N THR B 89 -0.134 16.739 -0.640 1.00 0.73 N ATOM 2937 CA THR B 89 -0.377 18.070 -1.178 1.00 0.81 C ATOM 2938 C THR B 89 -1.702 18.104 -1.952 1.00 0.72 C ATOM 2939 O THR B 89 -1.902 18.942 -2.832 1.00 1.05 O ATOM 2940 CB THR B 89 0.787 18.481 -2.098 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.626 19.830 -2.555 1.00 1.27 O ATOM 2942 CG2 THR B 89 0.905 17.537 -3.291 1.00 0.90 C ATOM 0 H THR B 89 0.463 16.162 -1.232 1.00 0.73 H new ATOM 0 HA THR B 89 -0.444 18.776 -0.350 1.00 0.81 H new ATOM 0 HB THR B 89 1.705 18.417 -1.514 1.00 0.97 H new ATOM 0 HG1 THR B 89 -0.309 19.980 -2.808 1.00 1.27 H new ATOM 0 HG21 THR B 89 1.735 17.852 -3.923 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.084 16.522 -2.936 1.00 0.90 H new ATOM 0 HG23 THR B 89 -0.020 17.562 -3.868 1.00 0.90 H new ATOM 2950 N HIS B 90 -2.580 17.168 -1.589 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.859 16.905 -2.264 1.00 0.65 C ATOM 2952 C HIS B 90 -3.648 15.894 -3.356 1.00 0.94 C ATOM 2953 O HIS B 90 -3.467 16.232 -4.525 1.00 1.78 O ATOM 2954 CB HIS B 90 -4.553 18.141 -2.844 1.00 0.91 C ATOM 2955 CG HIS B 90 -5.081 19.095 -1.811 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -6.419 19.202 -1.490 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -4.439 19.992 -1.026 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -6.573 20.118 -0.552 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -5.389 20.611 -0.254 1.00 3.47 N ATOM 0 H HIS B 90 -2.419 16.551 -0.793 1.00 0.66 H new ATOM 0 HA HIS B 90 -4.527 16.529 -1.489 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -3.849 18.671 -3.485 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -5.379 17.816 -3.477 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -3.376 20.184 -1.010 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -7.511 20.413 -0.105 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -5.207 21.337 0.439 1.00 3.47 H new