USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=24 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 Set 1.1: B 59 GLN : amide:sc= -3.25! K(o=-3.5!,f=-0.53) USER MOD Set 1.2: B 65 GLN : amide:sc= -0.273 K(o=-3.5,f=-1.2) USER MOD Set 2.1: A 59 GLN : amide:sc= -3.22! K(o=-3.5!,f=-0.54) USER MOD Set 2.2: A 65 GLN : amide:sc= -0.285 K(o=-3.5,f=-1.2) USER MOD Single : A 7 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.73) USER MOD Single : A 13 ASN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.12) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -130:sc=-0.00547 (180deg=-0.601) USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0162) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 38 THR OG1 : rot -78:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 0.0222 (180deg=-0.0805) USER MOD Single : A 43 ASN : amide:sc= 0.886 K(o=0.89,f=-0.21) USER MOD Single : A 44 THR OG1 : rot -108:sc= 0.835 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.639 K(o=0.64,f=-0.025) USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0489 (180deg=-0.361) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0417 (180deg=-0.28) USER MOD Single : A 64 ASN : amide:sc= 0.693 K(o=0.69,f=-3.9) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 72 GLN : amide:sc= -0.667 K(o=-0.67,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.678 K(o=0.68,f=-3.7!) USER MOD Single : A 89 THR OG1 : rot -51:sc= 0.433 USER MOD Single : A 90 HIS : no HD1:sc= -0.0765 X(o=-0.077,f=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.73) USER MOD Single : B 13 ASN : amide:sc=-0.00563 X(o=-0.0056,f=0) USER MOD Single : B 16 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : B 17 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.13) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -129:sc= -0.0125 (180deg=-0.613) USER MOD Single : B 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0407) USER MOD Single : B 35 GLN : amide:sc=-0.00697 K(o=-0.007,f=-1.3) USER MOD Single : B 38 THR OG1 : rot -82:sc= 1.21 USER MOD Single : B 39 LYS NZ :NH3+ -136:sc= 0.0323 (180deg=-0.11) USER MOD Single : B 43 ASN : amide:sc= 0.881 K(o=0.88,f=-0.21) USER MOD Single : B 44 THR OG1 : rot -111:sc= 0.827 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 ASN : amide:sc= 0.562 K(o=0.56,f=-0.014) USER MOD Single : B 49 LYS NZ :NH3+ -161:sc= -0.0474 (180deg=-0.376) USER MOD Single : B 51 LYS NZ :NH3+ -167:sc= -0.0308 (180deg=-0.232) USER MOD Single : B 64 ASN : amide:sc= 0.657 K(o=0.66,f=-3.9!) USER MOD Single : B 68 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 72 GLN : amide:sc= -0.615 K(o=-0.61,f=0) USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.641 K(o=0.64,f=-3.5!) USER MOD Single : B 89 THR OG1 : rot -42:sc= 0.529 USER MOD Single : B 90 HIS : no HD1:sc= -0.0698 X(o=-0.07,f=0) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -4.951 5.465 10.401 1.00 1.20 N ATOM 76 CA GLU A 5 -4.222 6.178 9.353 1.00 0.93 C ATOM 77 C GLU A 5 -2.716 6.016 9.551 1.00 0.69 C ATOM 78 O GLU A 5 -1.919 6.258 8.644 1.00 0.68 O ATOM 79 CB GLU A 5 -4.617 7.664 9.319 1.00 1.39 C ATOM 80 CG GLU A 5 -5.033 8.242 10.668 1.00 1.80 C ATOM 81 CD GLU A 5 -3.935 8.200 11.709 1.00 2.48 C ATOM 82 OE1 GLU A 5 -3.131 9.147 11.766 1.00 3.10 O ATOM 83 OE2 GLU A 5 -3.885 7.227 12.488 1.00 3.00 O ATOM 0 HA GLU A 5 -4.491 5.743 8.391 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -3.776 8.241 8.935 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -5.439 7.792 8.615 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -5.351 9.275 10.529 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -5.896 7.690 11.040 1.00 1.80 H new ATOM 90 N GLU A 6 -2.348 5.573 10.752 1.00 0.68 N ATOM 91 CA GLU A 6 -0.971 5.228 11.087 1.00 0.67 C ATOM 92 C GLU A 6 -0.396 4.217 10.095 1.00 0.54 C ATOM 93 O GLU A 6 0.814 4.101 9.938 1.00 0.60 O ATOM 94 CB GLU A 6 -0.922 4.628 12.493 1.00 0.78 C ATOM 95 CG GLU A 6 0.475 4.241 12.948 1.00 1.07 C ATOM 96 CD GLU A 6 0.457 3.277 14.112 1.00 1.79 C ATOM 97 OE1 GLU A 6 0.358 3.737 15.265 1.00 2.51 O ATOM 98 OE2 GLU A 6 0.532 2.049 13.876 1.00 2.48 O ATOM 0 H GLU A 6 -3.002 5.443 11.524 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.374 6.139 11.042 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -1.337 5.347 13.199 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -1.561 3.746 12.523 1.00 0.78 H new ATOM 0 HG2 GLU A 6 1.013 3.790 12.115 1.00 1.07 H new ATOM 0 HG3 GLU A 6 1.023 5.139 13.232 1.00 1.07 H new ATOM 105 N HIS A 7 -1.267 3.478 9.430 1.00 0.42 N ATOM 106 CA HIS A 7 -0.828 2.457 8.504 1.00 0.38 C ATOM 107 C HIS A 7 -0.226 3.081 7.250 1.00 0.35 C ATOM 108 O HIS A 7 0.869 2.705 6.848 1.00 0.39 O ATOM 109 CB HIS A 7 -1.976 1.507 8.151 1.00 0.43 C ATOM 110 CG HIS A 7 -2.350 0.585 9.277 1.00 0.95 C ATOM 111 ND1 HIS A 7 -2.141 -0.779 9.240 1.00 1.73 N ATOM 112 CD2 HIS A 7 -2.912 0.843 10.482 1.00 1.60 C ATOM 113 CE1 HIS A 7 -2.558 -1.313 10.376 1.00 2.16 C ATOM 114 NE2 HIS A 7 -3.028 -0.352 11.145 1.00 2.03 N ATOM 0 H HIS A 7 -2.279 3.568 9.516 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.049 1.872 8.993 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.849 2.093 7.865 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.693 0.913 7.282 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -3.213 1.812 10.853 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -2.520 -2.362 10.631 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -3.415 -0.476 12.081 1.00 2.03 H new ATOM 123 N LEU A 8 -0.912 4.060 6.666 1.00 0.34 N ATOM 124 CA LEU A 8 -0.446 4.681 5.427 1.00 0.32 C ATOM 125 C LEU A 8 0.750 5.584 5.677 1.00 0.33 C ATOM 126 O LEU A 8 1.849 5.323 5.180 1.00 0.33 O ATOM 127 CB LEU A 8 -1.566 5.500 4.803 1.00 0.33 C ATOM 128 CG LEU A 8 -2.836 4.716 4.498 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.939 5.649 4.059 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.576 3.655 3.440 1.00 0.33 C ATOM 0 H LEU A 8 -1.787 4.439 7.027 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.144 3.883 4.749 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.815 6.321 5.475 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.200 5.946 3.878 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.154 4.211 5.410 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.839 5.073 3.845 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.147 6.366 4.854 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.628 6.183 3.161 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.497 3.108 3.239 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.230 4.132 2.523 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.814 2.963 3.798 1.00 0.33 H new ATOM 142 N GLU A 9 0.548 6.627 6.476 1.00 0.37 N ATOM 143 CA GLU A 9 1.622 7.559 6.784 1.00 0.40 C ATOM 144 C GLU A 9 2.741 6.846 7.530 1.00 0.40 C ATOM 145 O GLU A 9 3.897 7.268 7.490 1.00 0.42 O ATOM 146 CB GLU A 9 1.125 8.751 7.610 1.00 0.47 C ATOM 147 CG GLU A 9 0.164 9.670 6.867 1.00 1.24 C ATOM 148 CD GLU A 9 -1.290 9.257 6.999 1.00 1.72 C ATOM 149 OE1 GLU A 9 -1.693 8.259 6.373 1.00 2.17 O ATOM 150 OE2 GLU A 9 -2.035 9.949 7.728 1.00 2.41 O ATOM 0 H GLU A 9 -0.345 6.846 6.919 1.00 0.37 H new ATOM 0 HA GLU A 9 2.001 7.943 5.837 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.631 8.376 8.507 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.985 9.334 7.940 1.00 0.47 H new ATOM 0 HG2 GLU A 9 0.281 10.686 7.244 1.00 1.24 H new ATOM 0 HG3 GLU A 9 0.434 9.688 5.811 1.00 1.24 H new ATOM 157 N GLY A 10 2.386 5.758 8.197 1.00 0.40 N ATOM 158 CA GLY A 10 3.361 4.966 8.909 1.00 0.43 C ATOM 159 C GLY A 10 4.294 4.224 7.977 1.00 0.39 C ATOM 160 O GLY A 10 5.494 4.207 8.201 1.00 0.44 O ATOM 0 H GLY A 10 1.429 5.409 8.256 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.945 5.615 9.562 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.846 4.250 9.549 1.00 0.43 H new ATOM 164 N ILE A 11 3.750 3.621 6.921 1.00 0.34 N ATOM 165 CA ILE A 11 4.581 2.920 5.943 1.00 0.33 C ATOM 166 C ILE A 11 5.484 3.921 5.231 1.00 0.33 C ATOM 167 O ILE A 11 6.660 3.654 4.973 1.00 0.38 O ATOM 168 CB ILE A 11 3.733 2.141 4.908 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.928 1.041 5.597 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.621 1.538 3.832 1.00 0.50 C ATOM 171 CD1 ILE A 11 2.021 0.270 4.661 1.00 1.16 C ATOM 0 H ILE A 11 2.750 3.603 6.722 1.00 0.34 H new ATOM 0 HA ILE A 11 5.185 2.190 6.481 1.00 0.33 H new ATOM 0 HB ILE A 11 3.043 2.842 4.438 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.617 0.345 6.076 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.324 1.486 6.388 1.00 0.41 H new ATOM 0 HG21 ILE A 11 4.006 0.995 3.115 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.161 2.333 3.318 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.334 0.853 4.290 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.483 -0.493 5.223 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.307 0.953 4.201 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.620 -0.206 3.884 1.00 1.16 H new ATOM 183 N VAL A 12 4.922 5.087 4.951 1.00 0.33 N ATOM 184 CA VAL A 12 5.676 6.199 4.386 1.00 0.38 C ATOM 185 C VAL A 12 6.793 6.620 5.341 1.00 0.40 C ATOM 186 O VAL A 12 7.912 6.927 4.922 1.00 0.45 O ATOM 187 CB VAL A 12 4.735 7.385 4.102 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.499 8.606 3.626 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.700 6.975 3.074 1.00 0.48 C ATOM 0 H VAL A 12 3.935 5.290 5.108 1.00 0.33 H new ATOM 0 HA VAL A 12 6.127 5.879 3.447 1.00 0.38 H new ATOM 0 HB VAL A 12 4.238 7.657 5.033 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.801 9.421 3.436 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.212 8.910 4.392 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.034 8.365 2.707 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.034 7.814 2.873 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.200 6.680 2.152 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.120 6.135 3.457 1.00 0.48 H new ATOM 199 N ASN A 13 6.482 6.599 6.632 1.00 0.42 N ATOM 200 CA ASN A 13 7.454 6.919 7.669 1.00 0.48 C ATOM 201 C ASN A 13 8.531 5.843 7.757 1.00 0.48 C ATOM 202 O ASN A 13 9.692 6.144 8.030 1.00 0.58 O ATOM 203 CB ASN A 13 6.755 7.082 9.024 1.00 0.61 C ATOM 204 CG ASN A 13 7.721 7.393 10.152 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.081 8.550 10.374 1.00 1.31 O ATOM 206 ND2 ASN A 13 8.141 6.370 10.879 1.00 1.42 N ATOM 0 H ASN A 13 5.556 6.361 6.987 1.00 0.42 H new ATOM 0 HA ASN A 13 7.934 7.861 7.405 1.00 0.48 H new ATOM 0 HB2 ASN A 13 6.017 7.881 8.953 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.212 6.167 9.259 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.785 6.526 11.654 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.820 5.426 10.664 1.00 1.42 H new ATOM 213 N ILE A 14 8.140 4.592 7.520 1.00 0.47 N ATOM 214 CA ILE A 14 9.082 3.477 7.531 1.00 0.57 C ATOM 215 C ILE A 14 10.151 3.677 6.462 1.00 0.53 C ATOM 216 O ILE A 14 11.346 3.531 6.732 1.00 0.60 O ATOM 217 CB ILE A 14 8.381 2.113 7.300 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.346 1.844 8.396 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.406 0.987 7.261 1.00 1.14 C ATOM 220 CD1 ILE A 14 6.585 0.547 8.213 1.00 2.06 C ATOM 0 H ILE A 14 7.176 4.326 7.318 1.00 0.47 H new ATOM 0 HA ILE A 14 9.539 3.459 8.520 1.00 0.57 H new ATOM 0 HB ILE A 14 7.867 2.154 6.340 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.850 1.825 9.362 1.00 1.33 H new ATOM 0 HG13 ILE A 14 6.636 2.670 8.423 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.897 0.037 7.098 1.00 1.14 H new ATOM 0 HG22 ILE A 14 10.111 1.165 6.449 1.00 1.14 H new ATOM 0 HG23 ILE A 14 9.945 0.952 8.208 1.00 1.14 H new ATOM 0 HD11 ILE A 14 5.871 0.426 9.028 1.00 2.06 H new ATOM 0 HD12 ILE A 14 6.051 0.569 7.263 1.00 2.06 H new ATOM 0 HD13 ILE A 14 7.285 -0.289 8.217 1.00 2.06 H new ATOM 232 N PHE A 15 9.723 4.041 5.255 1.00 0.48 N ATOM 233 CA PHE A 15 10.667 4.280 4.171 1.00 0.58 C ATOM 234 C PHE A 15 11.551 5.471 4.509 1.00 0.60 C ATOM 235 O PHE A 15 12.771 5.387 4.416 1.00 0.70 O ATOM 236 CB PHE A 15 9.941 4.517 2.846 1.00 0.68 C ATOM 237 CG PHE A 15 10.865 4.568 1.658 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.566 3.440 1.262 1.00 1.74 C ATOM 239 CD2 PHE A 15 11.038 5.740 0.944 1.00 1.93 C ATOM 240 CE1 PHE A 15 12.419 3.481 0.175 1.00 2.35 C ATOM 241 CE2 PHE A 15 11.889 5.788 -0.144 1.00 2.54 C ATOM 242 CZ PHE A 15 12.579 4.657 -0.529 1.00 2.57 C ATOM 0 H PHE A 15 8.743 4.175 5.007 1.00 0.48 H new ATOM 0 HA PHE A 15 11.288 3.392 4.057 1.00 0.58 H new ATOM 0 HB2 PHE A 15 9.210 3.723 2.694 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.387 5.454 2.906 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.444 2.517 1.810 1.00 1.74 H new ATOM 0 HD2 PHE A 15 10.501 6.629 1.241 1.00 1.93 H new ATOM 0 HE1 PHE A 15 12.959 2.594 -0.123 1.00 2.35 H new ATOM 0 HE2 PHE A 15 12.014 6.710 -0.692 1.00 2.54 H new ATOM 0 HZ PHE A 15 13.243 4.692 -1.380 1.00 2.57 H new ATOM 252 N HIS A 16 10.920 6.557 4.952 1.00 0.59 N ATOM 253 CA HIS A 16 11.630 7.779 5.333 1.00 0.71 C ATOM 254 C HIS A 16 12.623 7.504 6.467 1.00 0.75 C ATOM 255 O HIS A 16 13.613 8.219 6.631 1.00 0.88 O ATOM 256 CB HIS A 16 10.615 8.854 5.758 1.00 0.77 C ATOM 257 CG HIS A 16 11.207 10.205 6.051 1.00 1.15 C ATOM 258 ND1 HIS A 16 11.100 11.277 5.190 1.00 1.82 N ATOM 259 CD2 HIS A 16 11.890 10.663 7.129 1.00 1.84 C ATOM 260 CE1 HIS A 16 11.692 12.329 5.725 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.178 11.984 6.899 1.00 2.23 N ATOM 0 H HIS A 16 9.907 6.616 5.057 1.00 0.59 H new ATOM 0 HA HIS A 16 12.195 8.138 4.473 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.872 8.963 4.968 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.088 8.504 6.646 1.00 0.77 H new ATOM 0 HD2 HIS A 16 12.158 10.093 8.006 1.00 1.84 H new ATOM 0 HE1 HIS A 16 11.765 13.308 5.275 1.00 2.22 H new ATOM 0 HE2 HIS A 16 12.686 12.599 7.534 1.00 2.23 H new ATOM 270 N GLN A 17 12.351 6.469 7.249 1.00 0.69 N ATOM 271 CA GLN A 17 13.200 6.110 8.375 1.00 0.81 C ATOM 272 C GLN A 17 14.524 5.539 7.877 1.00 0.93 C ATOM 273 O GLN A 17 15.596 6.005 8.263 1.00 1.18 O ATOM 274 CB GLN A 17 12.478 5.090 9.270 1.00 0.85 C ATOM 275 CG GLN A 17 12.876 5.145 10.743 1.00 1.27 C ATOM 276 CD GLN A 17 14.268 4.608 11.033 1.00 1.99 C ATOM 277 OE1 GLN A 17 14.945 5.082 11.943 1.00 2.60 O ATOM 278 NE2 GLN A 17 14.692 3.601 10.287 1.00 2.77 N ATOM 0 H GLN A 17 11.543 5.860 7.122 1.00 0.69 H new ATOM 0 HA GLN A 17 13.409 7.005 8.961 1.00 0.81 H new ATOM 0 HB2 GLN A 17 11.403 5.253 9.191 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.677 4.088 8.890 1.00 0.85 H new ATOM 0 HG2 GLN A 17 12.819 6.178 11.085 1.00 1.27 H new ATOM 0 HG3 GLN A 17 12.151 4.576 11.325 1.00 1.27 H new ATOM 0 HE21 GLN A 17 14.101 3.235 9.541 1.00 2.77 H new ATOM 0 HE22 GLN A 17 15.610 3.191 10.458 1.00 2.77 H new ATOM 452 N LEU A 28 17.983 6.812 -3.251 1.00 1.14 N ATOM 453 CA LEU A 28 17.072 5.756 -2.827 1.00 0.90 C ATOM 454 C LEU A 28 17.354 4.475 -3.612 1.00 0.71 C ATOM 455 O LEU A 28 16.669 4.175 -4.586 1.00 0.76 O ATOM 456 CB LEU A 28 15.624 6.190 -3.065 1.00 1.66 C ATOM 457 CG LEU A 28 15.214 7.528 -2.448 1.00 2.02 C ATOM 458 CD1 LEU A 28 13.809 7.903 -2.890 1.00 2.91 C ATOM 459 CD2 LEU A 28 15.285 7.467 -0.933 1.00 2.37 C ATOM 0 HA LEU A 28 17.223 5.568 -1.764 1.00 0.90 H new ATOM 0 HB2 LEU A 28 15.453 6.241 -4.140 1.00 1.66 H new ATOM 0 HB3 LEU A 28 14.965 5.415 -2.674 1.00 1.66 H new ATOM 0 HG LEU A 28 15.910 8.291 -2.795 1.00 2.02 H new ATOM 0 HD11 LEU A 28 13.530 8.857 -2.444 1.00 2.91 H new ATOM 0 HD12 LEU A 28 13.780 7.988 -3.976 1.00 2.91 H new ATOM 0 HD13 LEU A 28 13.108 7.133 -2.568 1.00 2.91 H new ATOM 0 HD21 LEU A 28 14.989 8.430 -0.516 1.00 2.37 H new ATOM 0 HD22 LEU A 28 14.612 6.691 -0.568 1.00 2.37 H new ATOM 0 HD23 LEU A 28 16.305 7.236 -0.626 1.00 2.37 H new ATOM 471 N SER A 29 18.365 3.728 -3.204 1.00 0.61 N ATOM 472 CA SER A 29 18.777 2.557 -3.962 1.00 0.49 C ATOM 473 C SER A 29 18.302 1.250 -3.313 1.00 0.44 C ATOM 474 O SER A 29 17.535 1.274 -2.348 1.00 0.53 O ATOM 475 CB SER A 29 20.291 2.559 -4.140 1.00 0.55 C ATOM 476 OG SER A 29 20.759 3.845 -4.531 1.00 1.35 O ATOM 0 H SER A 29 18.911 3.907 -2.362 1.00 0.61 H new ATOM 0 HA SER A 29 18.303 2.611 -4.942 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.770 2.262 -3.207 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.573 1.822 -4.892 1.00 0.55 H new ATOM 0 HG SER A 29 21.733 3.820 -4.637 1.00 1.35 H new ATOM 482 N LYS A 30 18.760 0.114 -3.839 1.00 0.38 N ATOM 483 CA LYS A 30 18.275 -1.190 -3.389 1.00 0.36 C ATOM 484 C LYS A 30 18.708 -1.497 -1.955 1.00 0.36 C ATOM 485 O LYS A 30 17.968 -2.128 -1.218 1.00 0.37 O ATOM 486 CB LYS A 30 18.765 -2.309 -4.315 1.00 0.39 C ATOM 487 CG LYS A 30 18.157 -3.669 -3.990 1.00 0.41 C ATOM 488 CD LYS A 30 18.836 -4.814 -4.734 1.00 0.50 C ATOM 489 CE LYS A 30 18.650 -4.731 -6.243 1.00 0.52 C ATOM 490 NZ LYS A 30 19.725 -3.947 -6.915 1.00 1.32 N ATOM 0 H LYS A 30 19.464 0.071 -4.575 1.00 0.38 H new ATOM 0 HA LYS A 30 17.186 -1.145 -3.419 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.526 -2.049 -5.346 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.851 -2.378 -4.247 1.00 0.39 H new ATOM 0 HG2 LYS A 30 18.228 -3.846 -2.917 1.00 0.41 H new ATOM 0 HG3 LYS A 30 17.096 -3.657 -4.241 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.901 -4.810 -4.503 1.00 0.50 H new ATOM 0 HD3 LYS A 30 18.436 -5.762 -4.375 1.00 0.50 H new ATOM 0 HE2 LYS A 30 18.628 -5.739 -6.658 1.00 0.52 H new ATOM 0 HE3 LYS A 30 17.684 -4.276 -6.461 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.296 -3.239 -7.545 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 20.304 -3.466 -6.197 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 20.326 -4.588 -7.472 1.00 1.32 H new ATOM 504 N GLY A 31 19.894 -1.043 -1.564 1.00 0.39 N ATOM 505 CA GLY A 31 20.443 -1.403 -0.258 1.00 0.40 C ATOM 506 C GLY A 31 19.554 -1.011 0.906 1.00 0.38 C ATOM 507 O GLY A 31 19.283 -1.821 1.796 1.00 0.39 O ATOM 0 H GLY A 31 20.489 -0.432 -2.124 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.611 -2.480 -0.229 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.415 -0.925 -0.138 1.00 0.40 H new ATOM 511 N GLU A 32 19.100 0.228 0.899 1.00 0.44 N ATOM 512 CA GLU A 32 18.265 0.750 1.971 1.00 0.50 C ATOM 513 C GLU A 32 16.886 0.114 1.948 1.00 0.42 C ATOM 514 O GLU A 32 16.254 -0.074 2.990 1.00 0.44 O ATOM 515 CB GLU A 32 18.170 2.262 1.842 1.00 0.67 C ATOM 516 CG GLU A 32 19.470 2.952 2.222 1.00 0.96 C ATOM 517 CD GLU A 32 19.645 4.305 1.570 1.00 1.58 C ATOM 518 OE1 GLU A 32 19.071 5.293 2.066 1.00 2.44 O ATOM 519 OE2 GLU A 32 20.389 4.388 0.572 1.00 2.10 O ATOM 0 H GLU A 32 19.296 0.899 0.157 1.00 0.44 H new ATOM 0 HA GLU A 32 18.720 0.501 2.930 1.00 0.50 H new ATOM 0 HB2 GLU A 32 17.909 2.522 0.816 1.00 0.67 H new ATOM 0 HB3 GLU A 32 17.365 2.630 2.479 1.00 0.67 H new ATOM 0 HG2 GLU A 32 19.506 3.071 3.305 1.00 0.96 H new ATOM 0 HG3 GLU A 32 20.307 2.312 1.944 1.00 0.96 H new ATOM 526 N LEU A 33 16.433 -0.229 0.754 1.00 0.38 N ATOM 527 CA LEU A 33 15.183 -0.939 0.590 1.00 0.34 C ATOM 528 C LEU A 33 15.323 -2.341 1.153 1.00 0.29 C ATOM 529 O LEU A 33 14.459 -2.818 1.864 1.00 0.32 O ATOM 530 CB LEU A 33 14.813 -1.007 -0.882 1.00 0.34 C ATOM 531 CG LEU A 33 13.383 -1.469 -1.160 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.388 -0.457 -0.616 1.00 0.52 C ATOM 533 CD2 LEU A 33 13.167 -1.688 -2.648 1.00 0.46 C ATOM 0 H LEU A 33 16.918 -0.024 -0.119 1.00 0.38 H new ATOM 0 HA LEU A 33 14.395 -0.410 1.126 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.954 -0.021 -1.324 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.503 -1.684 -1.385 1.00 0.34 H new ATOM 0 HG LEU A 33 13.223 -2.420 -0.653 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.373 -0.798 -0.821 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.526 -0.354 0.460 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.550 0.508 -1.097 1.00 0.52 H new ATOM 0 HD21 LEU A 33 12.142 -2.016 -2.822 1.00 0.46 H new ATOM 0 HD22 LEU A 33 13.345 -0.755 -3.183 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.858 -2.450 -3.008 1.00 0.46 H new ATOM 545 N LYS A 34 16.441 -2.971 0.830 1.00 0.29 N ATOM 546 CA LYS A 34 16.772 -4.303 1.308 1.00 0.31 C ATOM 547 C LYS A 34 16.722 -4.365 2.828 1.00 0.35 C ATOM 548 O LYS A 34 16.172 -5.306 3.400 1.00 0.41 O ATOM 549 CB LYS A 34 18.161 -4.685 0.785 1.00 0.34 C ATOM 550 CG LYS A 34 18.893 -5.727 1.620 1.00 0.53 C ATOM 551 CD LYS A 34 20.277 -6.007 1.060 1.00 0.85 C ATOM 552 CE LYS A 34 21.139 -6.785 2.044 1.00 1.30 C ATOM 553 NZ LYS A 34 20.538 -8.093 2.415 1.00 1.87 N ATOM 0 H LYS A 34 17.152 -2.567 0.221 1.00 0.29 H new ATOM 0 HA LYS A 34 16.037 -5.016 0.934 1.00 0.31 H new ATOM 0 HB2 LYS A 34 18.060 -5.061 -0.233 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.774 -3.785 0.733 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.978 -5.378 2.649 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.314 -6.650 1.644 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.186 -6.571 0.132 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.767 -5.065 0.814 1.00 0.85 H new ATOM 0 HE2 LYS A 34 22.124 -6.952 1.607 1.00 1.30 H new ATOM 0 HE3 LYS A 34 21.287 -6.188 2.944 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 21.207 -8.628 3.005 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 19.659 -7.933 2.947 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 20.327 -8.635 1.553 1.00 1.87 H new ATOM 567 N GLN A 35 17.297 -3.360 3.478 1.00 0.35 N ATOM 568 CA GLN A 35 17.205 -3.237 4.927 1.00 0.43 C ATOM 569 C GLN A 35 15.751 -3.253 5.364 1.00 0.43 C ATOM 570 O GLN A 35 15.318 -4.172 6.055 1.00 0.50 O ATOM 571 CB GLN A 35 17.876 -1.952 5.402 1.00 0.50 C ATOM 572 CG GLN A 35 19.375 -2.073 5.553 1.00 1.07 C ATOM 573 CD GLN A 35 20.035 -0.746 5.866 1.00 1.68 C ATOM 574 OE1 GLN A 35 19.564 0.314 5.450 1.00 2.46 O ATOM 575 NE2 GLN A 35 21.131 -0.793 6.603 1.00 2.07 N ATOM 0 H GLN A 35 17.832 -2.619 3.024 1.00 0.35 H new ATOM 0 HA GLN A 35 17.721 -4.086 5.376 1.00 0.43 H new ATOM 0 HB2 GLN A 35 17.654 -1.153 4.695 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.445 -1.659 6.359 1.00 0.50 H new ATOM 0 HG2 GLN A 35 19.601 -2.784 6.348 1.00 1.07 H new ATOM 0 HG3 GLN A 35 19.798 -2.478 4.634 1.00 1.07 H new ATOM 0 HE21 GLN A 35 21.489 -1.691 6.928 1.00 2.07 H new ATOM 0 HE22 GLN A 35 21.619 0.069 6.847 1.00 2.07 H new ATOM 584 N LEU A 36 15.006 -2.248 4.913 1.00 0.38 N ATOM 585 CA LEU A 36 13.593 -2.102 5.229 1.00 0.39 C ATOM 586 C LEU A 36 12.845 -3.411 4.988 1.00 0.38 C ATOM 587 O LEU A 36 12.085 -3.868 5.817 1.00 0.45 O ATOM 588 CB LEU A 36 13.017 -0.979 4.361 1.00 0.36 C ATOM 589 CG LEU A 36 11.551 -0.615 4.587 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.325 0.839 4.222 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.640 -1.500 3.752 1.00 0.40 C ATOM 0 H LEU A 36 15.371 -1.508 4.314 1.00 0.38 H new ATOM 0 HA LEU A 36 13.475 -1.851 6.283 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.618 -0.084 4.522 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.139 -1.261 3.315 1.00 0.36 H new ATOM 0 HG LEU A 36 11.314 -0.770 5.639 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.278 1.096 4.384 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.955 1.473 4.846 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.579 0.995 3.173 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.601 -1.223 3.929 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.875 -1.370 2.696 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.790 -2.543 4.032 1.00 0.40 H new ATOM 603 N LEU A 37 13.095 -4.017 3.856 1.00 0.34 N ATOM 604 CA LEU A 37 12.401 -5.227 3.459 1.00 0.35 C ATOM 605 C LEU A 37 12.719 -6.407 4.364 1.00 0.41 C ATOM 606 O LEU A 37 11.815 -7.061 4.878 1.00 0.45 O ATOM 607 CB LEU A 37 12.758 -5.557 2.020 1.00 0.34 C ATOM 608 CG LEU A 37 12.252 -4.541 1.005 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.762 -4.859 -0.387 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.738 -4.497 1.036 1.00 0.32 C ATOM 0 H LEU A 37 13.785 -3.690 3.179 1.00 0.34 H new ATOM 0 HA LEU A 37 11.331 -5.043 3.550 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.842 -5.632 1.934 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.350 -6.537 1.771 1.00 0.34 H new ATOM 0 HG LEU A 37 12.636 -3.557 1.273 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.385 -4.117 -1.091 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.852 -4.840 -0.388 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.416 -5.849 -0.684 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.380 -3.769 0.308 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.340 -5.482 0.790 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.403 -4.209 2.032 1.00 0.32 H new ATOM 622 N THR A 38 13.998 -6.668 4.567 1.00 0.45 N ATOM 623 CA THR A 38 14.422 -7.833 5.319 1.00 0.53 C ATOM 624 C THR A 38 14.030 -7.732 6.788 1.00 0.59 C ATOM 625 O THR A 38 13.775 -8.745 7.436 1.00 0.66 O ATOM 626 CB THR A 38 15.945 -8.046 5.214 1.00 0.55 C ATOM 627 OG1 THR A 38 16.643 -6.845 5.577 1.00 1.23 O ATOM 628 CG2 THR A 38 16.337 -8.450 3.805 1.00 1.03 C ATOM 0 H THR A 38 14.762 -6.087 4.220 1.00 0.45 H new ATOM 0 HA THR A 38 13.910 -8.688 4.878 1.00 0.53 H new ATOM 0 HB THR A 38 16.220 -8.847 5.901 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.608 -6.209 4.833 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.416 -8.595 3.755 1.00 1.03 H new ATOM 0 HG22 THR A 38 15.833 -9.380 3.540 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.043 -7.666 3.107 1.00 1.03 H new ATOM 636 N LYS A 39 14.005 -6.521 7.321 1.00 0.58 N ATOM 637 CA LYS A 39 13.712 -6.348 8.733 1.00 0.66 C ATOM 638 C LYS A 39 12.247 -5.988 9.000 1.00 0.64 C ATOM 639 O LYS A 39 11.688 -6.403 10.017 1.00 0.72 O ATOM 640 CB LYS A 39 14.657 -5.326 9.363 1.00 0.72 C ATOM 641 CG LYS A 39 14.509 -3.922 8.819 1.00 0.68 C ATOM 642 CD LYS A 39 15.746 -3.074 9.098 1.00 0.73 C ATOM 643 CE LYS A 39 16.149 -3.124 10.567 1.00 0.87 C ATOM 644 NZ LYS A 39 15.031 -2.748 11.476 1.00 1.61 N ATOM 0 H LYS A 39 14.181 -5.658 6.807 1.00 0.58 H new ATOM 0 HA LYS A 39 13.880 -7.315 9.208 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.486 -5.306 10.439 1.00 0.72 H new ATOM 0 HB3 LYS A 39 15.684 -5.656 9.210 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.333 -3.965 7.744 1.00 0.68 H new ATOM 0 HG3 LYS A 39 13.635 -3.449 9.267 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.574 -3.426 8.482 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.551 -2.041 8.810 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.491 -4.129 10.813 1.00 0.87 H new ATOM 0 HE3 LYS A 39 16.990 -2.451 10.733 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 15.385 -2.107 12.214 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 14.286 -2.270 10.930 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 14.641 -3.604 11.919 1.00 1.61 H new ATOM 658 N GLU A 40 11.614 -5.246 8.095 1.00 0.57 N ATOM 659 CA GLU A 40 10.262 -4.746 8.350 1.00 0.58 C ATOM 660 C GLU A 40 9.221 -5.683 7.741 1.00 0.56 C ATOM 661 O GLU A 40 8.256 -6.077 8.393 1.00 0.64 O ATOM 662 CB GLU A 40 10.076 -3.328 7.777 1.00 0.58 C ATOM 663 CG GLU A 40 11.095 -2.302 8.254 1.00 0.87 C ATOM 664 CD GLU A 40 11.142 -2.130 9.759 1.00 1.14 C ATOM 665 OE1 GLU A 40 10.285 -1.414 10.313 1.00 1.67 O ATOM 666 OE2 GLU A 40 12.078 -2.665 10.389 1.00 1.63 O ATOM 0 H GLU A 40 12.006 -4.980 7.192 1.00 0.57 H new ATOM 0 HA GLU A 40 10.123 -4.706 9.430 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.120 -3.383 6.689 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.078 -2.975 8.038 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.084 -2.597 7.902 1.00 0.87 H new ATOM 0 HG3 GLU A 40 10.867 -1.339 7.796 1.00 0.87 H new ATOM 673 N LEU A 41 9.449 -6.072 6.493 1.00 0.50 N ATOM 674 CA LEU A 41 8.491 -6.887 5.755 1.00 0.49 C ATOM 675 C LEU A 41 8.901 -8.354 5.790 1.00 0.52 C ATOM 676 O LEU A 41 8.495 -9.146 4.933 1.00 0.53 O ATOM 677 CB LEU A 41 8.377 -6.410 4.299 1.00 0.43 C ATOM 678 CG LEU A 41 7.616 -5.095 4.080 1.00 0.51 C ATOM 679 CD1 LEU A 41 8.342 -3.918 4.703 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.397 -4.852 2.596 1.00 1.42 C ATOM 0 H LEU A 41 10.292 -5.836 5.969 1.00 0.50 H new ATOM 0 HA LEU A 41 7.517 -6.780 6.233 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.383 -6.296 3.895 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.887 -7.192 3.719 1.00 0.43 H new ATOM 0 HG LEU A 41 6.648 -5.187 4.573 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.773 -3.005 4.527 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.445 -4.081 5.776 1.00 1.22 H new ATOM 0 HD13 LEU A 41 9.331 -3.821 4.254 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.856 -3.916 2.457 1.00 1.42 H new ATOM 0 HD22 LEU A 41 8.361 -4.793 2.091 1.00 1.42 H new ATOM 0 HD23 LEU A 41 6.816 -5.673 2.175 1.00 1.42 H new ATOM 692 N ALA A 42 9.687 -8.703 6.804 1.00 0.58 N ATOM 693 CA ALA A 42 10.224 -10.055 6.960 1.00 0.64 C ATOM 694 C ALA A 42 9.129 -11.108 7.113 1.00 0.71 C ATOM 695 O ALA A 42 9.390 -12.306 7.006 1.00 0.78 O ATOM 696 CB ALA A 42 11.148 -10.102 8.164 1.00 0.71 C ATOM 0 H ALA A 42 9.971 -8.058 7.542 1.00 0.58 H new ATOM 0 HA ALA A 42 10.775 -10.291 6.049 1.00 0.64 H new ATOM 0 HB1 ALA A 42 11.546 -11.110 8.278 1.00 0.71 H new ATOM 0 HB2 ALA A 42 11.970 -9.401 8.019 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.592 -9.829 9.061 1.00 0.71 H new ATOM 702 N ASN A 43 7.909 -10.664 7.363 1.00 0.74 N ATOM 703 CA ASN A 43 6.819 -11.579 7.666 1.00 0.83 C ATOM 704 C ASN A 43 5.791 -11.625 6.538 1.00 0.83 C ATOM 705 O ASN A 43 4.886 -12.459 6.545 1.00 1.07 O ATOM 706 CB ASN A 43 6.155 -11.154 8.984 1.00 0.99 C ATOM 707 CG ASN A 43 5.043 -12.087 9.431 1.00 1.28 C ATOM 708 OD1 ASN A 43 5.297 -13.118 10.052 1.00 1.56 O ATOM 709 ND2 ASN A 43 3.804 -11.720 9.149 1.00 2.16 N ATOM 0 H ASN A 43 7.648 -9.678 7.362 1.00 0.74 H new ATOM 0 HA ASN A 43 7.228 -12.584 7.768 1.00 0.83 H new ATOM 0 HB2 ASN A 43 6.914 -11.106 9.765 1.00 0.99 H new ATOM 0 HB3 ASN A 43 5.751 -10.148 8.870 1.00 0.99 H new ATOM 0 HD21 ASN A 43 3.020 -12.299 9.449 1.00 2.16 H new ATOM 0 HD22 ASN A 43 3.633 -10.858 8.632 1.00 2.16 H new ATOM 716 N THR A 44 5.955 -10.778 5.538 1.00 0.65 N ATOM 717 CA THR A 44 4.908 -10.601 4.549 1.00 0.61 C ATOM 718 C THR A 44 5.314 -11.166 3.199 1.00 0.59 C ATOM 719 O THR A 44 4.675 -12.080 2.673 1.00 0.66 O ATOM 720 CB THR A 44 4.568 -9.117 4.384 1.00 0.56 C ATOM 721 OG1 THR A 44 4.554 -8.479 5.671 1.00 0.65 O ATOM 722 CG2 THR A 44 3.212 -8.959 3.717 1.00 0.53 C ATOM 0 H THR A 44 6.789 -10.210 5.390 1.00 0.65 H new ATOM 0 HA THR A 44 4.033 -11.143 4.908 1.00 0.61 H new ATOM 0 HB THR A 44 5.325 -8.648 3.755 1.00 0.56 H new ATOM 0 HG1 THR A 44 3.630 -8.271 5.923 1.00 0.65 H new ATOM 0 HG21 THR A 44 2.983 -7.899 3.606 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.233 -9.431 2.735 1.00 0.53 H new ATOM 0 HG23 THR A 44 2.447 -9.433 4.331 1.00 0.53 H new ATOM 730 N ILE A 45 6.387 -10.624 2.654 1.00 0.52 N ATOM 731 CA ILE A 45 6.838 -10.988 1.324 1.00 0.52 C ATOM 732 C ILE A 45 7.588 -12.315 1.370 1.00 0.59 C ATOM 733 O ILE A 45 8.302 -12.596 2.336 1.00 0.60 O ATOM 734 CB ILE A 45 7.739 -9.883 0.733 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.978 -8.554 0.658 1.00 0.39 C ATOM 736 CG2 ILE A 45 8.249 -10.284 -0.647 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.788 -7.427 0.050 1.00 0.36 C ATOM 0 H ILE A 45 6.967 -9.924 3.117 1.00 0.52 H new ATOM 0 HA ILE A 45 5.965 -11.098 0.680 1.00 0.52 H new ATOM 0 HB ILE A 45 8.598 -9.754 1.391 1.00 0.43 H new ATOM 0 HG12 ILE A 45 6.071 -8.697 0.071 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.666 -8.266 1.662 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.882 -9.491 -1.045 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.827 -11.205 -0.568 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.403 -10.443 -1.315 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.187 -6.518 0.029 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.682 -7.257 0.650 1.00 0.36 H new ATOM 0 HD13 ILE A 45 8.078 -7.694 -0.966 1.00 0.36 H new ATOM 749 N LYS A 46 7.399 -13.140 0.341 1.00 0.67 N ATOM 750 CA LYS A 46 8.009 -14.459 0.307 1.00 0.73 C ATOM 751 C LYS A 46 9.524 -14.325 0.240 1.00 0.68 C ATOM 752 O LYS A 46 10.048 -13.652 -0.644 1.00 0.63 O ATOM 753 CB LYS A 46 7.463 -15.297 -0.877 1.00 0.82 C ATOM 754 CG LYS A 46 8.237 -15.197 -2.193 1.00 0.79 C ATOM 755 CD LYS A 46 9.386 -16.203 -2.245 1.00 0.75 C ATOM 756 CE LYS A 46 10.069 -16.217 -3.604 1.00 0.88 C ATOM 757 NZ LYS A 46 9.269 -16.933 -4.630 1.00 1.61 N ATOM 0 H LYS A 46 6.830 -12.915 -0.475 1.00 0.67 H new ATOM 0 HA LYS A 46 7.748 -14.990 1.223 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.439 -16.343 -0.573 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.432 -14.995 -1.063 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.560 -15.373 -3.029 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.631 -14.187 -2.309 1.00 0.79 H new ATOM 0 HD2 LYS A 46 10.117 -15.959 -1.474 1.00 0.75 H new ATOM 0 HD3 LYS A 46 9.006 -17.199 -2.020 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.242 -15.192 -3.932 1.00 0.88 H new ATOM 0 HE3 LYS A 46 11.046 -16.691 -3.512 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 9.775 -16.916 -5.539 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 9.125 -17.919 -4.332 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 8.346 -16.466 -4.739 1.00 1.61 H new ATOM 771 N ASN A 47 10.208 -14.940 1.204 1.00 0.71 N ATOM 772 CA ASN A 47 11.670 -14.936 1.250 1.00 0.67 C ATOM 773 C ASN A 47 12.234 -13.544 1.022 1.00 0.59 C ATOM 774 O ASN A 47 13.208 -13.378 0.296 1.00 0.57 O ATOM 775 CB ASN A 47 12.253 -15.888 0.207 1.00 0.69 C ATOM 776 CG ASN A 47 12.126 -17.347 0.592 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.089 -17.977 0.372 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.196 -17.903 1.132 1.00 1.24 N ATOM 0 H ASN A 47 9.769 -15.451 1.970 1.00 0.71 H new ATOM 0 HA ASN A 47 11.955 -15.271 2.247 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.749 -15.725 -0.746 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.306 -15.649 0.055 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.185 -18.891 1.384 1.00 1.24 H new ATOM 0 HD22 ASN A 47 14.033 -17.344 1.297 1.00 1.24 H new ATOM 785 N ILE A 48 11.627 -12.547 1.648 1.00 0.55 N ATOM 786 CA ILE A 48 12.068 -11.161 1.498 1.00 0.48 C ATOM 787 C ILE A 48 13.497 -10.986 2.020 1.00 0.48 C ATOM 788 O ILE A 48 14.127 -9.944 1.859 1.00 0.43 O ATOM 789 CB ILE A 48 11.122 -10.204 2.244 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.403 -8.750 1.861 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.254 -10.393 3.746 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.330 -8.487 0.371 1.00 0.38 C ATOM 0 H ILE A 48 10.825 -12.668 2.267 1.00 0.55 H new ATOM 0 HA ILE A 48 12.049 -10.919 0.435 1.00 0.48 H new ATOM 0 HB ILE A 48 10.099 -10.440 1.951 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.687 -8.105 2.370 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.394 -8.474 2.221 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.578 -9.709 4.260 1.00 0.52 H new ATOM 0 HG22 ILE A 48 10.998 -11.420 4.007 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.280 -10.186 4.050 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.540 -7.435 0.176 1.00 0.38 H new ATOM 0 HD12 ILE A 48 12.065 -9.105 -0.144 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.332 -8.731 0.007 1.00 0.38 H new ATOM 804 N LYS A 49 13.993 -12.038 2.643 1.00 0.56 N ATOM 805 CA LYS A 49 15.331 -12.067 3.188 1.00 0.57 C ATOM 806 C LYS A 49 16.331 -12.421 2.099 1.00 0.55 C ATOM 807 O LYS A 49 17.542 -12.264 2.265 1.00 0.56 O ATOM 808 CB LYS A 49 15.385 -13.100 4.302 1.00 0.65 C ATOM 809 CG LYS A 49 14.315 -12.893 5.362 1.00 0.73 C ATOM 810 CD LYS A 49 14.458 -11.545 6.049 1.00 0.72 C ATOM 811 CE LYS A 49 15.594 -11.535 7.063 1.00 0.82 C ATOM 812 NZ LYS A 49 15.335 -12.458 8.201 1.00 1.11 N ATOM 0 H LYS A 49 13.471 -12.903 2.785 1.00 0.56 H new ATOM 0 HA LYS A 49 15.587 -11.085 3.585 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.274 -14.095 3.872 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.367 -13.065 4.774 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.329 -12.965 4.903 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.379 -13.689 6.104 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.635 -10.774 5.299 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.523 -11.293 6.550 1.00 0.72 H new ATOM 0 HE2 LYS A 49 16.523 -11.820 6.569 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.732 -10.522 7.442 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 15.954 -12.208 8.998 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 14.341 -12.376 8.495 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 15.529 -13.436 7.906 1.00 1.11 H new ATOM 826 N ASP A 50 15.804 -12.895 0.985 1.00 0.55 N ATOM 827 CA ASP A 50 16.616 -13.319 -0.139 1.00 0.56 C ATOM 828 C ASP A 50 16.890 -12.154 -1.065 1.00 0.50 C ATOM 829 O ASP A 50 15.978 -11.448 -1.482 1.00 0.47 O ATOM 830 CB ASP A 50 15.917 -14.440 -0.909 1.00 0.62 C ATOM 831 CG ASP A 50 16.043 -15.795 -0.238 1.00 0.97 C ATOM 832 OD1 ASP A 50 15.392 -16.021 0.804 1.00 1.57 O ATOM 833 OD2 ASP A 50 16.793 -16.651 -0.753 1.00 1.58 O ATOM 0 H ASP A 50 14.800 -12.997 0.835 1.00 0.55 H new ATOM 0 HA ASP A 50 17.564 -13.692 0.247 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.861 -14.193 -1.019 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.337 -14.499 -1.913 1.00 0.62 H new ATOM 838 N LYS A 51 18.160 -11.969 -1.380 1.00 0.50 N ATOM 839 CA LYS A 51 18.596 -10.904 -2.266 1.00 0.48 C ATOM 840 C LYS A 51 18.009 -11.096 -3.652 1.00 0.50 C ATOM 841 O LYS A 51 17.751 -10.132 -4.367 1.00 0.48 O ATOM 842 CB LYS A 51 20.115 -10.899 -2.347 1.00 0.53 C ATOM 843 CG LYS A 51 20.693 -9.865 -3.303 1.00 0.83 C ATOM 844 CD LYS A 51 20.301 -8.448 -2.913 1.00 0.60 C ATOM 845 CE LYS A 51 20.885 -7.424 -3.874 1.00 0.83 C ATOM 846 NZ LYS A 51 22.371 -7.465 -3.901 1.00 0.92 N ATOM 0 H LYS A 51 18.919 -12.553 -1.028 1.00 0.50 H new ATOM 0 HA LYS A 51 18.249 -9.950 -1.869 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.519 -10.720 -1.351 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.453 -11.889 -2.655 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.780 -9.950 -3.316 1.00 0.83 H new ATOM 0 HG3 LYS A 51 20.345 -10.072 -4.315 1.00 0.83 H new ATOM 0 HD2 LYS A 51 19.215 -8.360 -2.902 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.648 -8.239 -1.901 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.500 -7.608 -4.877 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.556 -6.426 -3.584 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.733 -6.613 -4.374 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.735 -7.502 -2.927 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.686 -8.309 -4.420 1.00 0.92 H new ATOM 860 N ALA A 52 17.793 -12.349 -4.018 1.00 0.55 N ATOM 861 CA ALA A 52 17.190 -12.667 -5.296 1.00 0.60 C ATOM 862 C ALA A 52 15.756 -12.193 -5.301 1.00 0.58 C ATOM 863 O ALA A 52 15.257 -11.683 -6.300 1.00 0.60 O ATOM 864 CB ALA A 52 17.246 -14.160 -5.554 1.00 0.67 C ATOM 0 H ALA A 52 18.027 -13.160 -3.446 1.00 0.55 H new ATOM 0 HA ALA A 52 17.744 -12.163 -6.088 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.788 -14.380 -6.519 1.00 0.67 H new ATOM 0 HB2 ALA A 52 18.285 -14.489 -5.562 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.705 -14.686 -4.767 1.00 0.67 H new ATOM 870 N VAL A 53 15.124 -12.328 -4.148 1.00 0.54 N ATOM 871 CA VAL A 53 13.747 -11.900 -3.966 1.00 0.53 C ATOM 872 C VAL A 53 13.687 -10.386 -3.922 1.00 0.47 C ATOM 873 O VAL A 53 12.860 -9.763 -4.578 1.00 0.48 O ATOM 874 CB VAL A 53 13.152 -12.475 -2.666 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.891 -11.728 -2.260 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.846 -13.951 -2.820 1.00 0.60 C ATOM 0 H VAL A 53 15.548 -12.735 -3.315 1.00 0.54 H new ATOM 0 HA VAL A 53 13.161 -12.272 -4.806 1.00 0.53 H new ATOM 0 HB VAL A 53 13.898 -12.348 -1.881 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.495 -12.157 -1.340 1.00 0.51 H new ATOM 0 HG12 VAL A 53 12.127 -10.676 -2.098 1.00 0.51 H new ATOM 0 HG13 VAL A 53 11.146 -11.815 -3.051 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.427 -14.335 -1.890 1.00 0.60 H new ATOM 0 HG22 VAL A 53 12.127 -14.091 -3.627 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.764 -14.490 -3.054 1.00 0.60 H new ATOM 886 N ILE A 54 14.588 -9.802 -3.154 1.00 0.42 N ATOM 887 CA ILE A 54 14.690 -8.358 -3.053 1.00 0.36 C ATOM 888 C ILE A 54 14.948 -7.737 -4.410 1.00 0.38 C ATOM 889 O ILE A 54 14.463 -6.652 -4.711 1.00 0.38 O ATOM 890 CB ILE A 54 15.813 -7.970 -2.099 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.450 -8.453 -0.705 1.00 0.37 C ATOM 892 CG2 ILE A 54 16.059 -6.463 -2.112 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.444 -8.048 0.348 1.00 0.38 C ATOM 0 H ILE A 54 15.265 -10.311 -2.586 1.00 0.42 H new ATOM 0 HA ILE A 54 13.741 -7.984 -2.668 1.00 0.36 H new ATOM 0 HB ILE A 54 16.741 -8.442 -2.421 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.469 -8.061 -0.437 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.367 -9.540 -0.716 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.866 -6.220 -1.421 1.00 0.32 H new ATOM 0 HG22 ILE A 54 16.336 -6.148 -3.118 1.00 0.32 H new ATOM 0 HG23 ILE A 54 15.151 -5.943 -1.806 1.00 0.32 H new ATOM 0 HD11 ILE A 54 16.121 -8.427 1.318 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.422 -8.463 0.104 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.510 -6.961 0.387 1.00 0.38 H new ATOM 905 N ASP A 55 15.708 -8.441 -5.229 1.00 0.43 N ATOM 906 CA ASP A 55 15.991 -7.989 -6.577 1.00 0.47 C ATOM 907 C ASP A 55 14.698 -7.999 -7.361 1.00 0.48 C ATOM 908 O ASP A 55 14.344 -7.030 -8.011 1.00 0.49 O ATOM 909 CB ASP A 55 17.007 -8.909 -7.245 1.00 0.55 C ATOM 910 CG ASP A 55 17.776 -8.227 -8.359 1.00 0.86 C ATOM 911 OD1 ASP A 55 18.785 -7.547 -8.066 1.00 1.44 O ATOM 912 OD2 ASP A 55 17.388 -8.378 -9.536 1.00 1.53 O ATOM 0 H ASP A 55 16.141 -9.331 -4.982 1.00 0.43 H new ATOM 0 HA ASP A 55 16.410 -6.983 -6.548 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.709 -9.272 -6.495 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.491 -9.781 -7.647 1.00 0.55 H new ATOM 917 N GLU A 56 13.983 -9.104 -7.232 1.00 0.51 N ATOM 918 CA GLU A 56 12.687 -9.291 -7.863 1.00 0.54 C ATOM 919 C GLU A 56 11.706 -8.175 -7.484 1.00 0.47 C ATOM 920 O GLU A 56 11.013 -7.621 -8.341 1.00 0.49 O ATOM 921 CB GLU A 56 12.133 -10.649 -7.443 1.00 0.58 C ATOM 922 CG GLU A 56 12.891 -11.815 -8.051 1.00 0.69 C ATOM 923 CD GLU A 56 12.225 -13.152 -7.808 1.00 1.06 C ATOM 924 OE1 GLU A 56 11.394 -13.561 -8.645 1.00 1.77 O ATOM 925 OE2 GLU A 56 12.545 -13.815 -6.799 1.00 1.66 O ATOM 0 H GLU A 56 14.289 -9.905 -6.680 1.00 0.51 H new ATOM 0 HA GLU A 56 12.813 -9.253 -8.945 1.00 0.54 H new ATOM 0 HB2 GLU A 56 12.167 -10.728 -6.356 1.00 0.58 H new ATOM 0 HB3 GLU A 56 11.085 -10.713 -7.735 1.00 0.58 H new ATOM 0 HG2 GLU A 56 12.989 -11.655 -9.125 1.00 0.69 H new ATOM 0 HG3 GLU A 56 13.900 -11.839 -7.639 1.00 0.69 H new ATOM 932 N ILE A 57 11.652 -7.857 -6.198 1.00 0.42 N ATOM 933 CA ILE A 57 10.794 -6.793 -5.698 1.00 0.39 C ATOM 934 C ILE A 57 11.272 -5.438 -6.194 1.00 0.36 C ATOM 935 O ILE A 57 10.523 -4.704 -6.830 1.00 0.37 O ATOM 936 CB ILE A 57 10.790 -6.798 -4.158 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.773 -7.804 -3.596 1.00 0.48 C ATOM 938 CG2 ILE A 57 10.504 -5.413 -3.601 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.932 -9.225 -4.092 1.00 1.00 C ATOM 0 H ILE A 57 12.198 -8.326 -5.476 1.00 0.42 H new ATOM 0 HA ILE A 57 9.784 -6.969 -6.068 1.00 0.39 H new ATOM 0 HB ILE A 57 11.788 -7.104 -3.843 1.00 0.40 H new ATOM 0 HG12 ILE A 57 9.849 -7.805 -2.509 1.00 0.48 H new ATOM 0 HG13 ILE A 57 8.769 -7.459 -3.845 1.00 0.48 H new ATOM 0 HG21 ILE A 57 10.508 -5.451 -2.512 1.00 0.59 H new ATOM 0 HG22 ILE A 57 11.271 -4.718 -3.943 1.00 0.59 H new ATOM 0 HG23 ILE A 57 9.528 -5.076 -3.949 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.168 -9.856 -3.638 1.00 1.00 H new ATOM 0 HD12 ILE A 57 9.823 -9.246 -5.176 1.00 1.00 H new ATOM 0 HD13 ILE A 57 10.920 -9.597 -3.819 1.00 1.00 H new ATOM 951 N PHE A 58 12.532 -5.129 -5.908 1.00 0.35 N ATOM 952 CA PHE A 58 13.104 -3.837 -6.236 1.00 0.36 C ATOM 953 C PHE A 58 12.966 -3.554 -7.719 1.00 0.41 C ATOM 954 O PHE A 58 12.563 -2.468 -8.118 1.00 0.44 O ATOM 955 CB PHE A 58 14.579 -3.788 -5.829 1.00 0.38 C ATOM 956 CG PHE A 58 15.281 -2.533 -6.260 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.137 -1.360 -5.541 1.00 1.52 C ATOM 958 CD2 PHE A 58 16.083 -2.529 -7.390 1.00 1.12 C ATOM 959 CE1 PHE A 58 15.777 -0.205 -5.939 1.00 1.68 C ATOM 960 CE2 PHE A 58 16.725 -1.377 -7.792 1.00 1.16 C ATOM 961 CZ PHE A 58 16.572 -0.214 -7.065 1.00 0.93 C ATOM 0 H PHE A 58 13.179 -5.767 -5.445 1.00 0.35 H new ATOM 0 HA PHE A 58 12.560 -3.072 -5.682 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.651 -3.881 -4.745 1.00 0.38 H new ATOM 0 HB3 PHE A 58 15.094 -4.648 -6.258 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.516 -1.349 -4.657 1.00 1.52 H new ATOM 0 HD2 PHE A 58 16.206 -3.437 -7.961 1.00 1.12 H new ATOM 0 HE1 PHE A 58 15.656 0.705 -5.370 1.00 1.68 H new ATOM 0 HE2 PHE A 58 17.347 -1.385 -8.675 1.00 1.16 H new ATOM 0 HZ PHE A 58 17.075 0.689 -7.378 1.00 0.93 H new ATOM 971 N GLN A 59 13.285 -4.552 -8.522 1.00 0.45 N ATOM 972 CA GLN A 59 13.196 -4.438 -9.964 1.00 0.52 C ATOM 973 C GLN A 59 11.744 -4.317 -10.407 1.00 0.52 C ATOM 974 O GLN A 59 11.455 -3.734 -11.448 1.00 0.57 O ATOM 975 CB GLN A 59 13.859 -5.651 -10.620 1.00 0.58 C ATOM 976 CG GLN A 59 15.375 -5.685 -10.455 1.00 0.61 C ATOM 977 CD GLN A 59 16.124 -4.783 -11.432 1.00 1.10 C ATOM 978 OE1 GLN A 59 17.272 -5.060 -11.785 1.00 1.92 O ATOM 979 NE2 GLN A 59 15.493 -3.710 -11.888 1.00 1.63 N ATOM 0 H GLN A 59 13.612 -5.461 -8.194 1.00 0.45 H new ATOM 0 HA GLN A 59 13.719 -3.535 -10.278 1.00 0.52 H new ATOM 0 HB2 GLN A 59 13.435 -6.560 -10.194 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.618 -5.655 -11.683 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.626 -5.389 -9.437 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.722 -6.710 -10.584 1.00 0.61 H new ATOM 0 HE21 GLN A 59 14.543 -3.507 -11.578 1.00 1.63 H new ATOM 0 HE22 GLN A 59 15.958 -3.088 -12.549 1.00 1.63 H new ATOM 988 N GLY A 60 10.836 -4.859 -9.600 1.00 0.48 N ATOM 989 CA GLY A 60 9.422 -4.743 -9.894 1.00 0.49 C ATOM 990 C GLY A 60 8.915 -3.330 -9.680 1.00 0.47 C ATOM 991 O GLY A 60 7.927 -2.915 -10.288 1.00 0.53 O ATOM 0 H GLY A 60 11.056 -5.376 -8.749 1.00 0.48 H new ATOM 0 HA2 GLY A 60 9.240 -5.042 -10.926 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.862 -5.430 -9.260 1.00 0.49 H new ATOM 995 N LEU A 61 9.595 -2.589 -8.811 1.00 0.42 N ATOM 996 CA LEU A 61 9.239 -1.203 -8.549 1.00 0.44 C ATOM 997 C LEU A 61 10.053 -0.290 -9.446 1.00 0.51 C ATOM 998 O LEU A 61 9.537 0.678 -9.999 1.00 0.58 O ATOM 999 CB LEU A 61 9.497 -0.826 -7.084 1.00 0.39 C ATOM 1000 CG LEU A 61 9.578 -1.996 -6.103 1.00 0.34 C ATOM 1001 CD1 LEU A 61 10.085 -1.513 -4.757 1.00 0.31 C ATOM 1002 CD2 LEU A 61 8.218 -2.669 -5.955 1.00 0.35 C ATOM 0 H LEU A 61 10.396 -2.927 -8.277 1.00 0.42 H new ATOM 0 HA LEU A 61 8.175 -1.085 -8.754 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.431 -0.266 -7.031 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.704 -0.155 -6.756 1.00 0.39 H new ATOM 0 HG LEU A 61 10.279 -2.733 -6.496 1.00 0.34 H new ATOM 0 HD11 LEU A 61 10.139 -2.354 -4.065 1.00 0.31 H new ATOM 0 HD12 LEU A 61 11.077 -1.077 -4.877 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.404 -0.760 -4.360 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.297 -3.499 -5.253 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.493 -1.946 -5.582 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.890 -3.044 -6.925 1.00 0.35 H new ATOM 1014 N ASP A 62 11.331 -0.622 -9.582 1.00 0.50 N ATOM 1015 CA ASP A 62 12.264 0.155 -10.388 1.00 0.59 C ATOM 1016 C ASP A 62 11.986 -0.062 -11.872 1.00 0.70 C ATOM 1017 O ASP A 62 12.722 -0.758 -12.572 1.00 0.75 O ATOM 1018 CB ASP A 62 13.708 -0.238 -10.044 1.00 0.57 C ATOM 1019 CG ASP A 62 14.747 0.637 -10.722 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.922 1.794 -10.302 1.00 1.40 O ATOM 1021 OD2 ASP A 62 15.414 0.156 -11.662 1.00 1.11 O ATOM 0 H ASP A 62 11.750 -1.438 -9.136 1.00 0.50 H new ATOM 0 HA ASP A 62 12.130 1.214 -10.165 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.845 -0.182 -8.964 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.873 -1.276 -10.333 1.00 0.57 H new ATOM 1026 N ALA A 63 10.898 0.529 -12.335 1.00 0.78 N ATOM 1027 CA ALA A 63 10.511 0.444 -13.734 1.00 0.94 C ATOM 1028 C ALA A 63 11.320 1.436 -14.546 1.00 1.12 C ATOM 1029 O ALA A 63 11.424 1.332 -15.766 1.00 1.30 O ATOM 1030 CB ALA A 63 9.020 0.709 -13.892 1.00 0.99 C ATOM 0 H ALA A 63 10.261 1.078 -11.757 1.00 0.78 H new ATOM 0 HA ALA A 63 10.715 -0.562 -14.100 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.748 0.641 -14.945 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.457 -0.031 -13.324 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.786 1.707 -13.520 1.00 0.99 H new ATOM 1036 N ASN A 64 11.901 2.393 -13.838 1.00 1.09 N ATOM 1037 CA ASN A 64 12.736 3.414 -14.449 1.00 1.28 C ATOM 1038 C ASN A 64 14.084 2.822 -14.856 1.00 1.21 C ATOM 1039 O ASN A 64 14.807 3.376 -15.688 1.00 1.37 O ATOM 1040 CB ASN A 64 12.933 4.583 -13.476 1.00 1.34 C ATOM 1041 CG ASN A 64 13.695 4.178 -12.227 1.00 2.03 C ATOM 1042 OD1 ASN A 64 14.919 4.248 -12.195 1.00 2.55 O ATOM 1043 ND2 ASN A 64 12.982 3.762 -11.185 1.00 2.80 N ATOM 0 H ASN A 64 11.807 2.483 -12.826 1.00 1.09 H new ATOM 0 HA ASN A 64 12.240 3.787 -15.345 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.470 5.385 -13.981 1.00 1.34 H new ATOM 0 HB3 ASN A 64 11.960 4.982 -13.190 1.00 1.34 H new ATOM 0 HD21 ASN A 64 13.452 3.488 -10.322 1.00 2.80 H new ATOM 0 HD22 ASN A 64 11.965 3.717 -11.248 1.00 2.80 H new ATOM 1050 N GLN A 65 14.396 1.676 -14.244 1.00 1.03 N ATOM 1051 CA GLN A 65 15.581 0.887 -14.565 1.00 1.05 C ATOM 1052 C GLN A 65 16.873 1.660 -14.348 1.00 1.04 C ATOM 1053 O GLN A 65 17.812 1.549 -15.134 1.00 1.17 O ATOM 1054 CB GLN A 65 15.507 0.352 -15.996 1.00 1.31 C ATOM 1055 CG GLN A 65 14.535 -0.805 -16.152 1.00 1.37 C ATOM 1056 CD GLN A 65 14.921 -2.004 -15.303 1.00 2.03 C ATOM 1057 OE1 GLN A 65 16.100 -2.238 -15.035 1.00 2.72 O ATOM 1058 NE2 GLN A 65 13.936 -2.769 -14.871 1.00 2.57 N ATOM 0 H GLN A 65 13.824 1.269 -13.504 1.00 1.03 H new ATOM 0 HA GLN A 65 15.594 0.044 -13.874 1.00 1.05 H new ATOM 0 HB2 GLN A 65 15.210 1.160 -16.664 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.500 0.029 -16.308 1.00 1.31 H new ATOM 0 HG2 GLN A 65 13.534 -0.475 -15.875 1.00 1.37 H new ATOM 0 HG3 GLN A 65 14.494 -1.103 -17.200 1.00 1.37 H new ATOM 0 HE21 GLN A 65 12.971 -2.544 -15.113 1.00 2.57 H new ATOM 0 HE22 GLN A 65 14.140 -3.586 -14.295 1.00 2.57 H new ATOM 1067 N ASP A 66 16.928 2.428 -13.274 1.00 0.93 N ATOM 1068 CA ASP A 66 18.137 3.170 -12.941 1.00 0.95 C ATOM 1069 C ASP A 66 18.628 2.777 -11.552 1.00 0.81 C ATOM 1070 O ASP A 66 19.585 3.344 -11.026 1.00 0.82 O ATOM 1071 CB ASP A 66 17.878 4.678 -13.016 1.00 1.06 C ATOM 1072 CG ASP A 66 19.153 5.496 -13.035 1.00 1.42 C ATOM 1073 OD1 ASP A 66 19.885 5.426 -14.045 1.00 1.89 O ATOM 1074 OD2 ASP A 66 19.418 6.234 -12.062 1.00 2.13 O ATOM 0 H ASP A 66 16.156 2.556 -12.620 1.00 0.93 H new ATOM 0 HA ASP A 66 18.912 2.921 -13.666 1.00 0.95 H new ATOM 0 HB2 ASP A 66 17.298 4.898 -13.913 1.00 1.06 H new ATOM 0 HB3 ASP A 66 17.271 4.980 -12.162 1.00 1.06 H new ATOM 1079 N GLU A 67 17.960 1.775 -10.983 1.00 0.73 N ATOM 1080 CA GLU A 67 18.245 1.294 -9.637 1.00 0.63 C ATOM 1081 C GLU A 67 17.980 2.397 -8.619 1.00 0.58 C ATOM 1082 O GLU A 67 18.874 2.826 -7.882 1.00 0.60 O ATOM 1083 CB GLU A 67 19.681 0.756 -9.514 1.00 0.68 C ATOM 1084 CG GLU A 67 19.964 0.091 -8.172 1.00 0.97 C ATOM 1085 CD GLU A 67 21.356 -0.491 -8.082 1.00 1.42 C ATOM 1086 OE1 GLU A 67 22.323 0.289 -7.952 1.00 2.02 O ATOM 1087 OE2 GLU A 67 21.485 -1.732 -8.121 1.00 2.01 O ATOM 0 H GLU A 67 17.203 1.273 -11.447 1.00 0.73 H new ATOM 0 HA GLU A 67 17.576 0.459 -9.429 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.862 0.037 -10.313 1.00 0.68 H new ATOM 0 HB3 GLU A 67 20.383 1.577 -9.660 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.830 0.822 -7.375 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.234 -0.701 -8.004 1.00 0.97 H new ATOM 1094 N GLN A 68 16.742 2.862 -8.599 1.00 0.61 N ATOM 1095 CA GLN A 68 16.309 3.840 -7.620 1.00 0.65 C ATOM 1096 C GLN A 68 14.832 3.648 -7.297 1.00 0.66 C ATOM 1097 O GLN A 68 13.959 3.802 -8.157 1.00 0.78 O ATOM 1098 CB GLN A 68 16.573 5.267 -8.123 1.00 0.85 C ATOM 1099 CG GLN A 68 16.050 5.534 -9.525 1.00 1.38 C ATOM 1100 CD GLN A 68 16.282 6.961 -9.981 1.00 1.63 C ATOM 1101 OE1 GLN A 68 17.238 7.616 -9.566 1.00 2.16 O ATOM 1102 NE2 GLN A 68 15.408 7.453 -10.843 1.00 2.07 N ATOM 0 H GLN A 68 16.016 2.574 -9.255 1.00 0.61 H new ATOM 0 HA GLN A 68 16.885 3.691 -6.707 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.113 5.975 -7.434 1.00 0.85 H new ATOM 0 HB3 GLN A 68 17.646 5.455 -8.105 1.00 0.85 H new ATOM 0 HG2 GLN A 68 16.534 4.852 -10.224 1.00 1.38 H new ATOM 0 HG3 GLN A 68 14.982 5.317 -9.556 1.00 1.38 H new ATOM 0 HE21 GLN A 68 14.629 6.878 -11.163 1.00 2.07 H new ATOM 0 HE22 GLN A 68 15.513 8.407 -11.188 1.00 2.07 H new ATOM 1111 N VAL A 69 14.559 3.305 -6.052 1.00 0.59 N ATOM 1112 CA VAL A 69 13.197 3.155 -5.591 1.00 0.64 C ATOM 1113 C VAL A 69 12.721 4.443 -4.916 1.00 0.64 C ATOM 1114 O VAL A 69 13.106 4.759 -3.794 1.00 0.68 O ATOM 1115 CB VAL A 69 13.068 1.948 -4.622 1.00 0.72 C ATOM 1116 CG1 VAL A 69 14.085 2.028 -3.490 1.00 1.81 C ATOM 1117 CG2 VAL A 69 11.657 1.839 -4.064 1.00 1.22 C ATOM 0 H VAL A 69 15.268 3.125 -5.341 1.00 0.59 H new ATOM 0 HA VAL A 69 12.562 2.960 -6.455 1.00 0.64 H new ATOM 0 HB VAL A 69 13.278 1.048 -5.199 1.00 0.72 H new ATOM 0 HG11 VAL A 69 13.965 1.167 -2.832 1.00 1.81 H new ATOM 0 HG12 VAL A 69 15.093 2.030 -3.906 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.925 2.944 -2.922 1.00 1.81 H new ATOM 0 HG21 VAL A 69 11.598 0.985 -3.389 1.00 1.22 H new ATOM 0 HG22 VAL A 69 11.410 2.750 -3.519 1.00 1.22 H new ATOM 0 HG23 VAL A 69 10.951 1.704 -4.883 1.00 1.22 H new ATOM 1127 N ASP A 70 11.879 5.190 -5.612 1.00 0.67 N ATOM 1128 CA ASP A 70 11.290 6.395 -5.044 1.00 0.73 C ATOM 1129 C ASP A 70 10.130 6.024 -4.147 1.00 0.64 C ATOM 1130 O ASP A 70 9.798 4.849 -4.032 1.00 0.56 O ATOM 1131 CB ASP A 70 10.802 7.351 -6.137 1.00 0.84 C ATOM 1132 CG ASP A 70 11.919 8.153 -6.770 1.00 1.38 C ATOM 1133 OD1 ASP A 70 12.365 9.143 -6.155 1.00 1.99 O ATOM 1134 OD2 ASP A 70 12.329 7.822 -7.900 1.00 2.02 O ATOM 0 H ASP A 70 11.588 4.985 -6.568 1.00 0.67 H new ATOM 0 HA ASP A 70 12.062 6.903 -4.466 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.292 6.778 -6.911 1.00 0.84 H new ATOM 0 HB3 ASP A 70 10.068 8.035 -5.711 1.00 0.84 H new ATOM 1139 N PHE A 71 9.498 7.005 -3.526 1.00 0.70 N ATOM 1140 CA PHE A 71 8.314 6.735 -2.720 1.00 0.66 C ATOM 1141 C PHE A 71 7.202 6.167 -3.599 1.00 0.55 C ATOM 1142 O PHE A 71 6.384 5.373 -3.147 1.00 0.48 O ATOM 1143 CB PHE A 71 7.840 7.998 -2.002 1.00 0.82 C ATOM 1144 CG PHE A 71 8.716 8.400 -0.845 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.917 9.056 -1.058 1.00 1.92 C ATOM 1146 CD2 PHE A 71 8.328 8.126 0.458 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.717 9.430 0.007 1.00 2.17 C ATOM 1148 CE2 PHE A 71 9.123 8.496 1.525 1.00 1.76 C ATOM 1149 CZ PHE A 71 10.320 9.149 1.300 1.00 1.76 C ATOM 0 H PHE A 71 9.778 7.985 -3.561 1.00 0.70 H new ATOM 0 HA PHE A 71 8.575 5.998 -1.961 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.799 8.819 -2.718 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.824 7.840 -1.640 1.00 0.82 H new ATOM 0 HD1 PHE A 71 10.233 9.278 -2.067 1.00 1.92 H new ATOM 0 HD2 PHE A 71 7.393 7.617 0.640 1.00 1.50 H new ATOM 0 HE1 PHE A 71 11.651 9.941 -0.172 1.00 2.17 H new ATOM 0 HE2 PHE A 71 8.809 8.275 2.535 1.00 1.76 H new ATOM 0 HZ PHE A 71 10.943 9.439 2.133 1.00 1.76 H new ATOM 1159 N GLN A 72 7.196 6.572 -4.863 1.00 0.59 N ATOM 1160 CA GLN A 72 6.254 6.044 -5.844 1.00 0.56 C ATOM 1161 C GLN A 72 6.562 4.581 -6.167 1.00 0.49 C ATOM 1162 O GLN A 72 5.662 3.745 -6.254 1.00 0.47 O ATOM 1163 CB GLN A 72 6.304 6.872 -7.125 1.00 0.69 C ATOM 1164 CG GLN A 72 5.344 6.379 -8.192 1.00 0.74 C ATOM 1165 CD GLN A 72 5.520 7.081 -9.523 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.267 6.499 -10.576 1.00 1.66 O ATOM 1167 NE2 GLN A 72 5.951 8.333 -9.490 1.00 1.66 N ATOM 0 H GLN A 72 7.839 7.271 -5.236 1.00 0.59 H new ATOM 0 HA GLN A 72 5.254 6.103 -5.414 1.00 0.56 H new ATOM 0 HB2 GLN A 72 6.072 7.910 -6.888 1.00 0.69 H new ATOM 0 HB3 GLN A 72 7.319 6.855 -7.522 1.00 0.69 H new ATOM 0 HG2 GLN A 72 5.486 5.307 -8.332 1.00 0.74 H new ATOM 0 HG3 GLN A 72 4.321 6.522 -7.845 1.00 0.74 H new ATOM 0 HE21 GLN A 72 6.150 8.781 -8.595 1.00 1.66 H new ATOM 0 HE22 GLN A 72 6.084 8.850 -10.359 1.00 1.66 H new ATOM 1176 N GLU A 73 7.837 4.277 -6.353 1.00 0.49 N ATOM 1177 CA GLU A 73 8.264 2.906 -6.611 1.00 0.46 C ATOM 1178 C GLU A 73 8.026 2.069 -5.356 1.00 0.36 C ATOM 1179 O GLU A 73 7.602 0.918 -5.422 1.00 0.32 O ATOM 1180 CB GLU A 73 9.744 2.879 -7.010 1.00 0.56 C ATOM 1181 CG GLU A 73 10.132 3.932 -8.050 1.00 0.78 C ATOM 1182 CD GLU A 73 9.474 3.741 -9.406 1.00 1.15 C ATOM 1183 OE1 GLU A 73 8.228 3.775 -9.483 1.00 1.82 O ATOM 1184 OE2 GLU A 73 10.202 3.581 -10.411 1.00 1.99 O ATOM 0 H GLU A 73 8.595 4.959 -6.331 1.00 0.49 H new ATOM 0 HA GLU A 73 7.687 2.488 -7.436 1.00 0.46 H new ATOM 0 HB2 GLU A 73 10.352 3.025 -6.117 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.985 1.891 -7.402 1.00 0.56 H new ATOM 0 HG2 GLU A 73 9.870 4.918 -7.667 1.00 0.78 H new ATOM 0 HG3 GLU A 73 11.214 3.918 -8.179 1.00 0.78 H new ATOM 1191 N PHE A 74 8.277 2.689 -4.211 1.00 0.37 N ATOM 1192 CA PHE A 74 8.008 2.090 -2.911 1.00 0.34 C ATOM 1193 C PHE A 74 6.509 1.864 -2.727 1.00 0.32 C ATOM 1194 O PHE A 74 6.086 0.954 -2.016 1.00 0.33 O ATOM 1195 CB PHE A 74 8.562 3.008 -1.815 1.00 0.43 C ATOM 1196 CG PHE A 74 8.235 2.587 -0.413 1.00 0.78 C ATOM 1197 CD1 PHE A 74 8.904 1.533 0.183 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.268 3.260 0.312 1.00 1.44 C ATOM 1199 CE1 PHE A 74 8.611 1.154 1.478 1.00 1.77 C ATOM 1200 CE2 PHE A 74 6.970 2.888 1.605 1.00 1.92 C ATOM 1201 CZ PHE A 74 7.642 1.831 2.191 1.00 1.89 C ATOM 0 H PHE A 74 8.675 3.627 -4.158 1.00 0.37 H new ATOM 0 HA PHE A 74 8.499 1.119 -2.846 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.646 3.061 -1.919 1.00 0.43 H new ATOM 0 HB3 PHE A 74 8.177 4.015 -1.976 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.664 1.001 -0.371 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.740 4.087 -0.141 1.00 1.44 H new ATOM 0 HE1 PHE A 74 9.139 0.329 1.933 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.212 3.421 2.160 1.00 1.92 H new ATOM 0 HZ PHE A 74 7.409 1.536 3.204 1.00 1.89 H new ATOM 1211 N ILE A 75 5.715 2.685 -3.398 1.00 0.33 N ATOM 1212 CA ILE A 75 4.272 2.540 -3.393 1.00 0.35 C ATOM 1213 C ILE A 75 3.890 1.230 -4.063 1.00 0.34 C ATOM 1214 O ILE A 75 3.012 0.505 -3.594 1.00 0.36 O ATOM 1215 CB ILE A 75 3.607 3.745 -4.100 1.00 0.41 C ATOM 1216 CG1 ILE A 75 3.182 4.784 -3.074 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.427 3.323 -4.957 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.934 6.136 -3.682 1.00 0.67 C ATOM 0 H ILE A 75 6.054 3.467 -3.959 1.00 0.33 H new ATOM 0 HA ILE A 75 3.913 2.521 -2.364 1.00 0.35 H new ATOM 0 HB ILE A 75 4.346 4.186 -4.769 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.275 4.444 -2.574 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.955 4.871 -2.310 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.991 4.201 -5.434 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.765 2.624 -5.722 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.677 2.840 -4.331 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.634 6.836 -2.902 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.847 6.493 -4.159 1.00 0.67 H new ATOM 0 HD13 ILE A 75 2.141 6.060 -4.426 1.00 0.67 H new ATOM 1230 N SER A 76 4.584 0.922 -5.150 1.00 0.34 N ATOM 1231 CA SER A 76 4.409 -0.346 -5.818 1.00 0.36 C ATOM 1232 C SER A 76 4.812 -1.485 -4.891 1.00 0.31 C ATOM 1233 O SER A 76 4.163 -2.520 -4.857 1.00 0.33 O ATOM 1234 CB SER A 76 5.229 -0.384 -7.104 1.00 0.45 C ATOM 1235 OG SER A 76 4.785 0.607 -8.012 1.00 0.74 O ATOM 0 H SER A 76 5.272 1.538 -5.583 1.00 0.34 H new ATOM 0 HA SER A 76 3.357 -0.466 -6.078 1.00 0.36 H new ATOM 0 HB2 SER A 76 6.283 -0.227 -6.874 1.00 0.45 H new ATOM 0 HB3 SER A 76 5.147 -1.369 -7.564 1.00 0.45 H new ATOM 0 HG SER A 76 5.324 0.567 -8.829 1.00 0.74 H new ATOM 1241 N LEU A 77 5.868 -1.272 -4.115 1.00 0.28 N ATOM 1242 CA LEU A 77 6.340 -2.278 -3.171 1.00 0.26 C ATOM 1243 C LEU A 77 5.244 -2.669 -2.199 1.00 0.23 C ATOM 1244 O LEU A 77 5.039 -3.847 -1.928 1.00 0.23 O ATOM 1245 CB LEU A 77 7.545 -1.759 -2.388 1.00 0.30 C ATOM 1246 CG LEU A 77 7.876 -2.547 -1.120 1.00 0.38 C ATOM 1247 CD1 LEU A 77 8.268 -3.975 -1.460 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.981 -1.860 -0.343 1.00 1.15 C ATOM 0 H LEU A 77 6.414 -0.411 -4.121 1.00 0.28 H new ATOM 0 HA LEU A 77 6.633 -3.156 -3.747 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.417 -1.769 -3.042 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.363 -0.720 -2.115 1.00 0.30 H new ATOM 0 HG LEU A 77 6.984 -2.580 -0.495 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.499 -4.517 -0.543 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.442 -4.467 -1.974 1.00 1.11 H new ATOM 0 HD13 LEU A 77 9.145 -3.967 -2.108 1.00 1.11 H new ATOM 0 HD21 LEU A 77 9.204 -2.434 0.556 1.00 1.15 H new ATOM 0 HD22 LEU A 77 9.875 -1.794 -0.963 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.659 -0.857 -0.063 1.00 1.15 H new ATOM 1260 N VAL A 78 4.541 -1.680 -1.678 1.00 0.24 N ATOM 1261 CA VAL A 78 3.489 -1.941 -0.718 1.00 0.25 C ATOM 1262 C VAL A 78 2.348 -2.687 -1.388 1.00 0.27 C ATOM 1263 O VAL A 78 1.675 -3.490 -0.761 1.00 0.28 O ATOM 1264 CB VAL A 78 2.967 -0.649 -0.073 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.006 -0.975 1.053 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.133 0.188 0.432 1.00 0.31 C ATOM 0 H VAL A 78 4.680 -0.695 -1.903 1.00 0.24 H new ATOM 0 HA VAL A 78 3.912 -2.557 0.076 1.00 0.25 H new ATOM 0 HB VAL A 78 2.427 -0.070 -0.822 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.644 -0.050 1.501 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.163 -1.542 0.659 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.520 -1.568 1.810 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.754 1.103 0.888 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.695 -0.381 1.173 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.786 0.443 -0.402 1.00 0.31 H new ATOM 1276 N ALA A 79 2.158 -2.434 -2.671 1.00 0.31 N ATOM 1277 CA ALA A 79 1.197 -3.186 -3.463 1.00 0.35 C ATOM 1278 C ALA A 79 1.609 -4.655 -3.525 1.00 0.33 C ATOM 1279 O ALA A 79 0.800 -5.553 -3.296 1.00 0.33 O ATOM 1280 CB ALA A 79 1.106 -2.595 -4.861 1.00 0.43 C ATOM 0 H ALA A 79 2.658 -1.711 -3.189 1.00 0.31 H new ATOM 0 HA ALA A 79 0.215 -3.122 -2.994 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.385 -3.162 -5.450 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.784 -1.556 -4.796 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.084 -2.643 -5.341 1.00 0.43 H new ATOM 1286 N ILE A 80 2.887 -4.878 -3.817 1.00 0.32 N ATOM 1287 CA ILE A 80 3.473 -6.218 -3.827 1.00 0.32 C ATOM 1288 C ILE A 80 3.325 -6.879 -2.461 1.00 0.28 C ATOM 1289 O ILE A 80 3.007 -8.064 -2.353 1.00 0.31 O ATOM 1290 CB ILE A 80 4.981 -6.163 -4.208 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.177 -6.107 -5.726 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.749 -7.343 -3.624 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.550 -4.906 -6.393 1.00 0.40 C ATOM 0 H ILE A 80 3.547 -4.137 -4.053 1.00 0.32 H new ATOM 0 HA ILE A 80 2.938 -6.806 -4.573 1.00 0.32 H new ATOM 0 HB ILE A 80 5.381 -5.245 -3.777 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.245 -6.111 -5.942 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.759 -7.012 -6.168 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.798 -7.272 -3.910 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.668 -7.328 -2.537 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.331 -8.274 -4.006 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.737 -4.947 -7.466 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.475 -4.909 -6.212 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.984 -3.994 -5.983 1.00 0.40 H new ATOM 1305 N ALA A 81 3.548 -6.094 -1.424 1.00 0.23 N ATOM 1306 CA ALA A 81 3.562 -6.595 -0.067 1.00 0.23 C ATOM 1307 C ALA A 81 2.159 -6.885 0.449 1.00 0.23 C ATOM 1308 O ALA A 81 1.939 -7.892 1.108 1.00 0.28 O ATOM 1309 CB ALA A 81 4.282 -5.609 0.828 1.00 0.24 C ATOM 0 H ALA A 81 3.724 -5.092 -1.501 1.00 0.23 H new ATOM 0 HA ALA A 81 4.098 -7.544 -0.058 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.293 -5.986 1.851 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.306 -5.481 0.478 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.766 -4.649 0.801 1.00 0.24 H new ATOM 1315 N LEU A 82 1.212 -6.010 0.147 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.183 -6.252 0.491 1.00 0.23 C ATOM 1317 C LEU A 82 -0.668 -7.500 -0.224 1.00 0.24 C ATOM 1318 O LEU A 82 -1.456 -8.285 0.314 1.00 0.29 O ATOM 1319 CB LEU A 82 -1.055 -5.062 0.098 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.778 -3.759 0.847 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.691 -2.672 0.335 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.961 -3.943 2.344 1.00 0.31 C ATOM 0 H LEU A 82 1.382 -5.127 -0.335 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.258 -6.390 1.570 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.929 -4.880 -0.969 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -2.099 -5.334 0.253 1.00 0.25 H new ATOM 0 HG LEU A 82 0.258 -3.470 0.669 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.490 -1.745 0.872 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.514 -2.520 -0.730 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.729 -2.965 0.493 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.758 -3.001 2.854 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.985 -4.254 2.550 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.271 -4.706 2.704 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.183 -7.675 -1.446 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.452 -8.877 -2.208 1.00 0.33 C ATOM 1336 C LYS A 83 0.173 -10.080 -1.517 1.00 0.31 C ATOM 1337 O LYS A 83 -0.437 -11.133 -1.416 1.00 0.44 O ATOM 1338 CB LYS A 83 0.095 -8.747 -3.630 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.976 -8.879 -4.692 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.616 -10.243 -4.603 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.919 -10.335 -5.373 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.725 -10.155 -6.837 1.00 1.67 N ATOM 0 H LYS A 83 0.402 -6.993 -1.929 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.531 -9.018 -2.265 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.587 -7.780 -3.737 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.855 -9.511 -3.792 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.730 -8.103 -4.560 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.541 -8.735 -5.681 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -0.921 -10.991 -4.985 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -1.801 -10.485 -3.556 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -3.381 -11.305 -5.187 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.610 -9.577 -5.005 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -3.643 -10.226 -7.320 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -2.309 -9.219 -7.020 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -2.087 -10.894 -7.196 1.00 1.67 H new ATOM 1356 N ALA A 84 1.386 -9.904 -1.026 1.00 0.31 N ATOM 1357 CA ALA A 84 2.080 -10.958 -0.304 1.00 0.35 C ATOM 1358 C ALA A 84 1.392 -11.263 1.025 1.00 0.33 C ATOM 1359 O ALA A 84 1.577 -12.334 1.592 1.00 0.40 O ATOM 1360 CB ALA A 84 3.534 -10.577 -0.078 1.00 0.48 C ATOM 0 H ALA A 84 1.915 -9.036 -1.114 1.00 0.31 H new ATOM 0 HA ALA A 84 2.046 -11.862 -0.912 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.040 -11.376 0.464 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.024 -10.424 -1.040 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.583 -9.657 0.504 1.00 0.48 H new ATOM 1366 N ALA A 85 0.620 -10.306 1.519 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.102 -10.464 2.776 1.00 0.38 C ATOM 1368 C ALA A 85 -1.390 -11.262 2.582 1.00 0.44 C ATOM 1369 O ALA A 85 -1.572 -12.318 3.187 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.409 -9.102 3.375 1.00 0.43 C ATOM 0 H ALA A 85 0.476 -9.404 1.065 1.00 0.30 H new ATOM 0 HA ALA A 85 0.534 -11.022 3.464 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.948 -9.230 4.313 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.523 -8.568 3.562 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -1.022 -8.529 2.680 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.283 -10.757 1.736 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.573 -11.411 1.509 1.00 0.59 C ATOM 1378 C HIS A 86 -3.413 -12.638 0.617 1.00 0.63 C ATOM 1379 O HIS A 86 -3.916 -13.717 0.912 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.565 -10.444 0.863 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.918 -11.055 0.638 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.401 -11.392 -0.610 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.881 -11.412 1.518 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.601 -11.930 -0.483 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.914 -11.953 0.797 1.00 2.68 N ATOM 0 H HIS A 86 -2.141 -9.902 1.198 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.957 -11.724 2.480 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.671 -9.564 1.497 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.163 -10.103 -0.091 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.843 -11.293 2.591 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.220 -12.290 -1.291 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.784 -12.315 1.188 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.698 -12.437 -0.467 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.455 -13.454 -1.479 1.00 0.65 C ATOM 1396 C TYR A 87 -1.206 -14.251 -1.117 1.00 0.62 C ATOM 1397 O TYR A 87 -0.466 -14.676 -2.001 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.329 -12.817 -2.862 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.562 -13.757 -4.024 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.801 -14.352 -4.221 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -1.550 -14.030 -4.937 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -4.024 -15.197 -5.290 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -1.767 -14.869 -6.011 1.00 1.80 C ATOM 1404 CZ TYR A 87 -3.006 -15.451 -6.182 1.00 1.29 C ATOM 1405 OH TYR A 87 -3.231 -16.283 -7.254 1.00 1.52 O ATOM 0 H TYR A 87 -2.257 -11.542 -0.679 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.303 -14.139 -1.511 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -3.040 -11.994 -2.932 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.332 -12.386 -2.957 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.603 -14.151 -3.527 1.00 1.44 H new ATOM 0 HD2 TYR A 87 -0.578 -13.578 -4.804 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -4.992 -15.656 -5.426 1.00 1.55 H new ATOM 0 HE2 TYR A 87 -0.971 -15.069 -6.714 1.00 1.80 H new ATOM 0 HH TYR A 87 -2.413 -16.357 -7.788 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.911 -14.279 0.193 1.00 0.59 N ATOM 1416 CA HIS A 88 0.264 -14.949 0.803 1.00 0.62 C ATOM 1417 C HIS A 88 0.514 -16.399 0.311 1.00 0.69 C ATOM 1418 O HIS A 88 1.284 -17.140 0.916 1.00 0.75 O ATOM 1419 CB HIS A 88 0.082 -14.943 2.331 1.00 0.65 C ATOM 1420 CG HIS A 88 1.334 -15.201 3.123 1.00 1.54 C ATOM 1421 ND1 HIS A 88 2.294 -14.237 3.344 1.00 2.37 N ATOM 1422 CD2 HIS A 88 1.770 -16.312 3.765 1.00 2.40 C ATOM 1423 CE1 HIS A 88 3.263 -14.741 4.084 1.00 3.25 C ATOM 1424 NE2 HIS A 88 2.969 -15.998 4.353 1.00 3.26 N ATOM 0 H HIS A 88 -1.502 -13.821 0.887 1.00 0.59 H new ATOM 0 HA HIS A 88 1.144 -14.386 0.492 1.00 0.62 H new ATOM 0 HB2 HIS A 88 -0.325 -13.977 2.629 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.659 -15.697 2.596 1.00 0.65 H new ATOM 0 HD1 HIS A 88 2.260 -13.281 2.990 1.00 2.37 H new ATOM 0 HD2 HIS A 88 1.267 -17.267 3.806 1.00 2.40 H new ATOM 0 HE1 HIS A 88 4.146 -14.214 4.413 1.00 3.25 H new ATOM 1433 N THR A 89 -0.085 -16.777 -0.803 1.00 0.73 N ATOM 1434 CA THR A 89 0.195 -18.041 -1.467 1.00 0.81 C ATOM 1435 C THR A 89 1.490 -17.903 -2.277 1.00 0.72 C ATOM 1436 O THR A 89 1.785 -18.694 -3.173 1.00 1.05 O ATOM 1437 CB THR A 89 -0.980 -18.418 -2.395 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.810 -19.735 -2.937 1.00 1.26 O ATOM 1439 CG2 THR A 89 -1.125 -17.406 -3.527 1.00 0.89 C ATOM 0 H THR A 89 -0.787 -16.211 -1.279 1.00 0.73 H new ATOM 0 HA THR A 89 0.315 -18.830 -0.724 1.00 0.81 H new ATOM 0 HB THR A 89 -1.889 -18.406 -1.794 1.00 0.97 H new ATOM 0 HG1 THR A 89 0.085 -19.815 -3.328 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.959 -17.693 -4.167 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.312 -16.417 -3.109 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.207 -17.384 -4.115 1.00 0.89 H new ATOM 1447 N HIS A 90 2.245 -16.863 -1.922 1.00 0.65 N ATOM 1448 CA HIS A 90 3.483 -16.477 -2.586 1.00 0.64 C ATOM 1449 C HIS A 90 3.168 -15.733 -3.865 1.00 0.93 C ATOM 1450 O HIS A 90 3.218 -16.294 -4.960 1.00 1.77 O ATOM 1451 CB HIS A 90 4.422 -17.657 -2.874 1.00 0.91 C ATOM 1452 CG HIS A 90 4.992 -18.310 -1.651 1.00 1.72 C ATOM 1453 ND1 HIS A 90 6.128 -19.090 -1.678 1.00 2.44 N ATOM 1454 CD2 HIS A 90 4.581 -18.299 -0.360 1.00 2.68 C ATOM 1455 CE1 HIS A 90 6.390 -19.526 -0.461 1.00 3.33 C ATOM 1456 NE2 HIS A 90 5.469 -19.059 0.354 1.00 3.47 N ATOM 0 H HIS A 90 2.003 -16.251 -1.143 1.00 0.65 H new ATOM 0 HA HIS A 90 4.018 -15.827 -1.894 1.00 0.64 H new ATOM 0 HB2 HIS A 90 3.878 -18.406 -3.450 1.00 0.91 H new ATOM 0 HB3 HIS A 90 5.243 -17.307 -3.500 1.00 0.91 H new ATOM 0 HD2 HIS A 90 3.715 -17.787 0.033 1.00 2.68 H new ATOM 0 HE1 HIS A 90 7.219 -20.159 -0.181 1.00 3.33 H new ATOM 0 HE2 HIS A 90 5.423 -19.235 1.358 1.00 3.47 H new ATOM 1578 N GLU B 5 5.293 -5.205 10.486 1.00 1.20 N ATOM 1579 CA GLU B 5 4.561 -5.938 9.453 1.00 0.94 C ATOM 1580 C GLU B 5 3.056 -5.769 9.652 1.00 0.69 C ATOM 1581 O GLU B 5 2.257 -6.028 8.752 1.00 0.69 O ATOM 1582 CB GLU B 5 4.956 -7.423 9.452 1.00 1.39 C ATOM 1583 CG GLU B 5 5.379 -7.971 10.812 1.00 1.80 C ATOM 1584 CD GLU B 5 4.293 -7.892 11.865 1.00 2.48 C ATOM 1585 OE1 GLU B 5 3.441 -8.799 11.916 1.00 3.10 O ATOM 1586 OE2 GLU B 5 4.292 -6.926 12.660 1.00 3.00 O ATOM 0 HA GLU B 5 4.826 -5.525 8.480 1.00 0.94 H new ATOM 0 HB2 GLU B 5 4.113 -8.009 9.086 1.00 1.39 H new ATOM 0 HB3 GLU B 5 5.775 -7.567 8.747 1.00 1.39 H new ATOM 0 HG2 GLU B 5 5.685 -9.011 10.696 1.00 1.80 H new ATOM 0 HG3 GLU B 5 6.252 -7.419 11.161 1.00 1.80 H new ATOM 1593 N GLU B 6 2.692 -5.305 10.845 1.00 0.68 N ATOM 1594 CA GLU B 6 1.316 -4.953 11.178 1.00 0.67 C ATOM 1595 C GLU B 6 0.738 -3.959 10.172 1.00 0.54 C ATOM 1596 O GLU B 6 -0.474 -3.844 10.018 1.00 0.60 O ATOM 1597 CB GLU B 6 1.275 -4.329 12.572 1.00 0.78 C ATOM 1598 CG GLU B 6 -0.120 -3.939 13.030 1.00 1.06 C ATOM 1599 CD GLU B 6 -0.101 -2.956 14.176 1.00 1.78 C ATOM 1600 OE1 GLU B 6 0.037 -3.390 15.337 1.00 2.51 O ATOM 1601 OE2 GLU B 6 -0.222 -1.738 13.919 1.00 2.48 O ATOM 0 H GLU B 6 3.349 -5.162 11.612 1.00 0.68 H new ATOM 0 HA GLU B 6 0.717 -5.863 11.149 1.00 0.67 H new ATOM 0 HB2 GLU B 6 1.698 -5.034 13.288 1.00 0.78 H new ATOM 0 HB3 GLU B 6 1.911 -3.444 12.582 1.00 0.78 H new ATOM 0 HG2 GLU B 6 -0.665 -3.504 12.192 1.00 1.06 H new ATOM 0 HG3 GLU B 6 -0.663 -4.834 13.333 1.00 1.06 H new ATOM 1608 N HIS B 7 1.607 -3.235 9.490 1.00 0.42 N ATOM 1609 CA HIS B 7 1.165 -2.231 8.546 1.00 0.38 C ATOM 1610 C HIS B 7 0.558 -2.880 7.307 1.00 0.35 C ATOM 1611 O HIS B 7 -0.538 -2.512 6.902 1.00 0.39 O ATOM 1612 CB HIS B 7 2.313 -1.287 8.171 1.00 0.43 C ATOM 1613 CG HIS B 7 2.690 -0.344 9.278 1.00 0.95 C ATOM 1614 ND1 HIS B 7 2.484 1.018 9.215 1.00 1.73 N ATOM 1615 CD2 HIS B 7 3.254 -0.580 10.488 1.00 1.60 C ATOM 1616 CE1 HIS B 7 2.903 1.574 10.340 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.374 0.626 11.126 1.00 2.03 N ATOM 0 H HIS B 7 2.620 -3.325 9.573 1.00 0.42 H new ATOM 0 HA HIS B 7 0.388 -1.635 9.025 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.185 -1.879 7.894 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.027 -0.709 7.292 1.00 0.43 H new ATOM 0 HD2 HIS B 7 3.554 -1.542 10.877 1.00 1.60 H new ATOM 0 HE1 HIS B 7 2.866 2.627 10.575 1.00 2.16 H new ATOM 0 HE2 HIS B 7 3.764 0.768 12.058 1.00 2.03 H new ATOM 1626 N LEU B 8 1.243 -3.870 6.739 1.00 0.34 N ATOM 1627 CA LEU B 8 0.772 -4.515 5.514 1.00 0.33 C ATOM 1628 C LEU B 8 -0.423 -5.414 5.786 1.00 0.34 C ATOM 1629 O LEU B 8 -1.523 -5.160 5.292 1.00 0.34 O ATOM 1630 CB LEU B 8 1.888 -5.346 4.901 1.00 0.33 C ATOM 1631 CG LEU B 8 3.157 -4.568 4.575 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.259 -5.509 4.148 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.894 -3.526 3.500 1.00 0.33 C ATOM 0 H LEU B 8 2.120 -4.242 7.104 1.00 0.34 H new ATOM 0 HA LEU B 8 0.468 -3.729 4.822 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.140 -6.154 5.588 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.517 -5.809 3.987 1.00 0.33 H new ATOM 0 HG LEU B 8 3.478 -4.047 5.477 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.158 -4.937 3.919 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.471 -6.211 4.955 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.944 -6.060 3.262 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.815 -2.984 3.285 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.543 -4.019 2.593 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.135 -2.826 3.849 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.217 -6.442 6.602 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.290 -7.369 6.931 1.00 0.40 C ATOM 1647 C GLU B 9 -2.407 -6.645 7.667 1.00 0.40 C ATOM 1648 O GLU B 9 -3.563 -7.071 7.645 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.787 -8.545 7.777 1.00 0.48 C ATOM 1650 CG GLU B 9 0.168 -9.481 7.047 1.00 1.24 C ATOM 1651 CD GLU B 9 1.623 -9.070 7.163 1.00 1.72 C ATOM 1652 OE1 GLU B 9 2.020 -8.074 6.533 1.00 2.16 O ATOM 1653 OE2 GLU B 9 2.378 -9.761 7.883 1.00 2.41 O ATOM 0 H GLU B 9 0.678 -6.652 7.045 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.673 -7.770 5.993 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.286 -8.152 8.662 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -1.645 -9.120 8.125 1.00 0.48 H new ATOM 0 HG2 GLU B 9 0.051 -10.489 7.444 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -0.108 -9.519 5.993 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.050 -5.543 8.309 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.020 -4.738 9.012 1.00 0.43 C ATOM 1662 C GLY B 10 -3.956 -4.010 8.075 1.00 0.39 C ATOM 1663 O GLY B 10 -5.155 -3.973 8.316 1.00 0.44 O ATOM 0 H GLY B 10 -1.094 -5.191 8.354 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.601 -5.375 9.679 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.500 -4.012 9.638 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.420 -3.429 7.002 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.256 -2.747 6.015 1.00 0.33 C ATOM 1669 C ILE B 11 -5.161 -3.763 5.327 1.00 0.33 C ATOM 1670 O ILE B 11 -6.340 -3.503 5.076 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.412 -1.988 4.962 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.602 -0.876 5.627 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.304 -1.403 3.878 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.699 -0.124 4.671 1.00 1.16 C ATOM 0 H ILE B 11 -2.421 -3.416 6.795 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.859 -2.007 6.541 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.725 -2.699 4.502 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.288 -0.170 6.096 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -1.995 -1.307 6.423 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.691 -0.874 3.148 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.847 -2.207 3.381 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.014 -0.709 4.327 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.156 0.649 5.215 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -0.989 -0.817 4.220 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.301 0.338 3.889 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.598 -4.934 5.064 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.354 -6.056 4.525 1.00 0.38 C ATOM 1688 C VAL B 12 -6.470 -6.458 5.492 1.00 0.40 C ATOM 1689 O VAL B 12 -7.591 -6.767 5.083 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.415 -7.249 4.261 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.180 -8.478 3.808 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.383 -6.857 3.222 1.00 0.48 C ATOM 0 H VAL B 12 -3.609 -5.133 5.217 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.808 -5.753 3.581 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.917 -7.505 5.196 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.482 -9.297 3.632 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.893 -8.768 4.580 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.716 -8.254 2.886 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.718 -7.700 3.034 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.886 -6.578 2.296 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.802 -6.011 3.588 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.154 -6.416 6.781 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.123 -6.714 7.827 1.00 0.49 C ATOM 1704 C ASN B 13 -8.198 -5.633 7.894 1.00 0.48 C ATOM 1705 O ASN B 13 -9.356 -5.922 8.177 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.420 -6.844 9.183 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.380 -7.125 10.324 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -7.730 -8.273 10.585 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.793 -6.081 11.028 1.00 1.42 N ATOM 0 H ASN B 13 -5.225 -6.176 7.128 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.603 -7.662 7.586 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.684 -7.646 9.129 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.874 -5.924 9.393 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -8.424 -6.216 11.818 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -7.480 -5.142 10.780 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.806 -4.388 7.631 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.749 -3.275 7.627 1.00 0.57 C ATOM 1718 C ILE B 14 -9.822 -3.494 6.566 1.00 0.53 C ATOM 1719 O ILE B 14 -11.016 -3.338 6.836 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.049 -1.915 7.372 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.012 -1.627 8.459 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -9.076 -0.791 7.317 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -6.253 -0.332 8.250 1.00 2.06 C ATOM 0 H ILE B 14 -6.843 -4.126 7.418 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.204 -3.241 8.617 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.537 -1.971 6.412 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -7.513 -1.592 9.426 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -6.301 -2.452 8.498 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -8.569 0.157 7.137 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -9.783 -0.983 6.510 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.612 -0.742 8.265 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -5.536 -0.196 9.060 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -5.723 -0.371 7.298 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -6.954 0.503 8.241 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.399 -3.883 5.364 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.347 -4.143 4.290 1.00 0.59 C ATOM 1737 C PHE B 15 -11.230 -5.327 4.656 1.00 0.61 C ATOM 1738 O PHE B 15 -12.451 -5.244 4.566 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.625 -4.405 2.968 1.00 0.69 C ATOM 1740 CG PHE B 15 -10.555 -4.477 1.785 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -11.256 -3.356 1.370 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -10.729 -5.663 1.094 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -12.111 -3.416 0.287 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -11.584 -5.730 0.010 1.00 2.54 C ATOM 1745 CZ PHE B 15 -12.275 -4.606 -0.393 1.00 2.58 C ATOM 0 H PHE B 15 -8.420 -4.023 5.115 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.970 -3.258 4.160 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.894 -3.615 2.799 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.071 -5.341 3.044 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -11.132 -2.423 1.900 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -10.191 -6.546 1.405 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -12.650 -2.534 -0.027 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -11.711 -6.662 -0.521 1.00 2.54 H new ATOM 0 HZ PHE B 15 -12.944 -4.657 -1.240 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.599 -6.404 5.117 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.310 -7.619 5.522 1.00 0.72 C ATOM 1757 C HIS B 16 -12.298 -7.324 6.655 1.00 0.75 C ATOM 1758 O HIS B 16 -13.288 -8.036 6.836 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.293 -8.685 5.965 1.00 0.77 C ATOM 1760 CG HIS B 16 -10.884 -10.032 6.285 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -10.776 -11.122 5.445 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -11.564 -10.470 7.373 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -11.364 -12.165 6.004 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -11.848 -11.795 7.172 1.00 2.23 N ATOM 0 H HIS B 16 -9.586 -6.462 5.221 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.879 -7.992 4.670 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.551 -8.808 5.176 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.764 -8.318 6.845 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -11.832 -9.883 8.239 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -11.436 -13.154 5.576 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -12.353 -12.398 7.822 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.022 -6.272 7.414 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.863 -5.891 8.536 1.00 0.82 C ATOM 1775 C GLN B 17 -14.190 -5.328 8.035 1.00 0.93 C ATOM 1776 O GLN B 17 -15.259 -5.776 8.449 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.136 -4.857 9.409 1.00 0.85 C ATOM 1778 CG GLN B 17 -12.526 -4.885 10.883 1.00 1.27 C ATOM 1779 CD GLN B 17 -13.916 -4.341 11.169 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -14.586 -4.793 12.093 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -14.346 -3.350 10.404 1.00 2.77 N ATOM 0 H GLN B 17 -11.215 -5.665 7.270 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.070 -6.775 9.139 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.062 -5.023 9.328 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.336 -3.861 9.013 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -12.469 -5.912 11.243 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -11.797 -4.307 11.451 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -13.761 -3.001 9.645 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -15.263 -2.936 10.573 1.00 2.77 H new ATOM 1955 N LEU B 28 -17.686 -6.816 -3.051 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.777 -5.750 -2.653 1.00 0.90 C ATOM 1957 C LEU B 28 -17.061 -4.487 -3.464 1.00 0.71 C ATOM 1958 O LEU B 28 -16.382 -4.209 -4.448 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.329 -6.186 -2.888 1.00 1.66 C ATOM 1960 CG LEU B 28 -14.915 -7.513 -2.248 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -13.512 -7.895 -2.686 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.984 -7.424 -0.735 1.00 2.37 C ATOM 0 HA LEU B 28 -16.927 -5.540 -1.594 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -15.162 -6.256 -3.963 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -14.670 -5.403 -2.513 1.00 1.66 H new ATOM 0 HG LEU B 28 -15.610 -8.284 -2.580 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.231 -8.841 -2.223 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -13.485 -8.000 -3.771 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -12.811 -7.119 -2.379 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -14.686 -8.378 -0.300 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -14.312 -6.640 -0.386 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -16.004 -7.190 -0.430 1.00 2.37 H new ATOM 1974 N SER B 29 -18.071 -3.731 -3.068 1.00 0.61 N ATOM 1975 CA SER B 29 -18.484 -2.574 -3.848 1.00 0.48 C ATOM 1976 C SER B 29 -18.007 -1.257 -3.225 1.00 0.44 C ATOM 1977 O SER B 29 -17.241 -1.262 -2.259 1.00 0.53 O ATOM 1978 CB SER B 29 -19.999 -2.572 -4.017 1.00 0.55 C ATOM 1979 OG SER B 29 -20.481 -3.866 -4.354 1.00 1.35 O ATOM 0 H SER B 29 -18.616 -3.894 -2.221 1.00 0.61 H new ATOM 0 HA SER B 29 -18.014 -2.651 -4.828 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.470 -2.235 -3.094 1.00 0.55 H new ATOM 0 HB3 SER B 29 -20.280 -1.863 -4.795 1.00 0.55 H new ATOM 0 HG SER B 29 -21.455 -3.836 -4.455 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.467 -0.130 -3.769 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.981 1.182 -3.344 1.00 0.36 C ATOM 1987 C LYS B 30 -18.410 1.514 -1.914 1.00 0.36 C ATOM 1988 O LYS B 30 -17.668 2.159 -1.190 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.476 2.284 -4.290 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.868 3.649 -3.992 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.546 4.781 -4.757 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.363 4.668 -6.264 1.00 0.52 C ATOM 1993 NZ LYS B 30 -19.440 3.871 -6.917 1.00 1.32 N ATOM 0 H LYS B 30 -19.174 -0.100 -4.503 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.892 1.138 -3.376 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.240 2.005 -5.317 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.561 2.354 -4.220 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.939 3.847 -2.922 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.808 3.631 -4.244 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -19.611 4.784 -4.524 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -18.143 5.735 -4.417 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -18.342 5.667 -6.699 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -17.398 4.208 -6.475 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.013 3.139 -7.521 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -20.028 3.419 -6.188 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -20.032 4.498 -7.499 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.598 1.069 -1.514 1.00 0.39 N ATOM 2008 CA GLY B 31 -20.143 1.450 -0.214 1.00 0.40 C ATOM 2009 C GLY B 31 -19.246 1.083 0.953 1.00 0.38 C ATOM 2010 O GLY B 31 -18.968 1.913 1.821 1.00 0.39 O ATOM 0 H GLY B 31 -20.196 0.452 -2.063 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.316 2.526 -0.204 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -21.112 0.970 -0.081 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.797 -0.159 0.973 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.956 -0.657 2.053 1.00 0.50 C ATOM 2016 C GLU B 32 -16.576 -0.020 2.012 1.00 0.42 C ATOM 2017 O GLU B 32 -15.941 0.188 3.047 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.863 -2.171 1.956 1.00 0.67 C ATOM 2019 CG GLU B 32 -19.160 -2.849 2.364 1.00 0.96 C ATOM 2020 CD GLU B 32 -19.339 -4.220 1.757 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -18.750 -5.188 2.271 1.00 2.43 O ATOM 2022 OE2 GLU B 32 -20.101 -4.329 0.773 1.00 2.10 O ATOM 0 H GLU B 32 -19.001 -0.848 0.249 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.405 -0.387 3.009 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -17.612 -2.454 0.934 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -17.053 -2.526 2.593 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -19.190 -2.934 3.450 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -19.999 -2.218 2.070 1.00 0.96 H new ATOM 2029 N LEU B 33 -16.127 0.301 0.810 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.877 1.007 0.630 1.00 0.34 C ATOM 2031 C LEU B 33 -15.015 2.419 1.167 1.00 0.30 C ATOM 2032 O LEU B 33 -14.149 2.910 1.865 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.512 1.047 -0.844 1.00 0.34 C ATOM 2034 CG LEU B 33 -13.084 1.505 -1.137 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -12.086 0.504 -0.577 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.874 1.697 -2.628 1.00 0.46 C ATOM 0 H LEU B 33 -16.615 0.081 -0.058 1.00 0.38 H new ATOM 0 HA LEU B 33 -14.087 0.489 1.174 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.654 0.052 -1.266 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -15.205 1.713 -1.358 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.922 2.466 -0.649 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -11.072 0.842 -0.792 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -12.220 0.422 0.502 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -12.250 -0.470 -1.038 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.850 2.023 -2.812 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -13.053 0.754 -3.145 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.568 2.452 -2.999 1.00 0.46 H new ATOM 2048 N LYS B 34 -16.133 3.043 0.837 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.464 4.384 1.292 1.00 0.31 C ATOM 2050 C LYS B 34 -16.406 4.473 2.812 1.00 0.35 C ATOM 2051 O LYS B 34 -15.845 5.421 3.361 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.854 4.756 0.768 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.583 5.812 1.586 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.970 6.080 1.028 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.828 6.870 2.004 1.00 1.30 C ATOM 2056 NZ LYS B 34 -20.227 8.186 2.345 1.00 1.87 N ATOM 0 H LYS B 34 -16.846 2.628 0.238 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.732 5.091 0.902 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.757 5.114 -0.257 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.467 3.855 0.734 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.663 5.482 2.622 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -18.005 6.736 1.589 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.885 6.630 0.091 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.459 5.133 0.798 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -21.817 7.025 1.572 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -20.966 6.289 2.916 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -20.885 8.723 2.945 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -19.334 8.038 2.857 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -20.040 8.719 1.472 1.00 1.87 H new ATOM 2070 N GLN B 35 -16.983 3.482 3.483 1.00 0.36 N ATOM 2071 CA GLN B 35 -16.886 3.387 4.931 1.00 0.43 C ATOM 2072 C GLN B 35 -15.429 3.411 5.362 1.00 0.43 C ATOM 2073 O GLN B 35 -14.991 4.346 6.028 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.553 2.109 5.431 1.00 0.50 C ATOM 2075 CG GLN B 35 -19.054 2.227 5.584 1.00 1.07 C ATOM 2076 CD GLN B 35 -19.711 0.903 5.918 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -19.237 -0.159 5.517 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -20.805 0.957 6.656 1.00 2.06 N ATOM 0 H GLN B 35 -17.522 2.735 3.046 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.401 4.243 5.366 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -17.330 1.298 4.738 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.119 1.835 6.393 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -19.280 2.949 6.369 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -19.480 2.617 4.660 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -21.165 1.859 6.968 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -21.289 0.097 6.914 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.686 2.399 4.928 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.271 2.260 5.239 1.00 0.39 C ATOM 2089 C LEU B 36 -12.523 3.564 4.969 1.00 0.38 C ATOM 2090 O LEU B 36 -11.757 4.035 5.785 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.697 1.119 4.390 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.231 0.761 4.619 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.006 -0.700 4.280 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.322 1.629 3.764 1.00 0.40 C ATOM 0 H LEU B 36 -15.053 1.647 4.346 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.150 2.030 6.297 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.297 0.227 4.570 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.823 1.381 3.339 1.00 0.37 H new ATOM 0 HG LEU B 36 -10.991 0.938 5.667 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.959 -0.954 4.444 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.635 -1.322 4.917 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.263 -0.875 3.235 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.282 1.355 3.945 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.559 1.478 2.711 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.471 2.677 4.023 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.777 4.148 3.826 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.085 5.349 3.404 1.00 0.35 C ATOM 2108 C LEU B 37 -12.400 6.546 4.290 1.00 0.41 C ATOM 2109 O LEU B 37 -11.493 7.209 4.791 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.450 5.652 1.961 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.947 4.617 0.964 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.462 4.909 -0.430 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.433 4.576 0.991 1.00 0.32 C ATOM 0 H LEU B 37 -13.469 3.808 3.158 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.014 5.167 3.493 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.535 5.723 1.879 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -12.045 6.627 1.692 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.328 3.637 1.251 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -12.087 4.154 -1.122 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.552 4.889 -0.427 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -12.118 5.894 -0.746 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -10.076 3.834 0.276 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -10.038 5.556 0.724 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.094 4.308 1.992 1.00 0.32 H new ATOM 2125 N THR B 38 -13.678 6.810 4.493 1.00 0.45 N ATOM 2126 CA THR B 38 -14.099 7.990 5.224 1.00 0.53 C ATOM 2127 C THR B 38 -13.701 7.919 6.693 1.00 0.59 C ATOM 2128 O THR B 38 -13.439 8.943 7.320 1.00 0.67 O ATOM 2129 CB THR B 38 -15.622 8.202 5.120 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.313 7.007 5.506 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.024 8.578 3.705 1.00 1.03 C ATOM 0 H THR B 38 -14.443 6.222 4.161 1.00 0.45 H new ATOM 0 HA THR B 38 -13.588 8.836 4.764 1.00 0.53 H new ATOM 0 HB THR B 38 -15.894 9.017 5.791 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.346 6.388 4.747 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.104 8.722 3.659 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.522 9.502 3.418 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.735 7.780 3.021 1.00 1.03 H new ATOM 2139 N LYS B 39 -13.675 6.718 7.250 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.377 6.572 8.664 1.00 0.67 C ATOM 2141 C LYS B 39 -11.910 6.216 8.933 1.00 0.65 C ATOM 2142 O LYS B 39 -11.348 6.651 9.938 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.320 5.562 9.315 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.173 4.147 8.798 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.405 3.303 9.097 1.00 0.74 C ATOM 2146 CE LYS B 39 -15.804 3.384 10.565 1.00 0.87 C ATOM 2147 NZ LYS B 39 -14.685 3.027 11.479 1.00 1.62 N ATOM 0 H LYS B 39 -13.853 5.845 6.754 1.00 0.58 H new ATOM 0 HA LYS B 39 -13.542 7.547 9.122 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.147 5.563 10.391 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.348 5.889 9.157 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.001 4.170 7.722 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.297 3.684 9.251 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.235 3.639 8.476 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.208 2.265 8.831 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.145 4.394 10.790 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.645 2.715 10.747 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -15.037 2.402 12.232 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -13.941 2.537 10.942 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -14.293 3.892 11.903 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.283 5.456 8.039 1.00 0.57 N ATOM 2162 CA GLU B 40 -9.930 4.962 8.296 1.00 0.58 C ATOM 2163 C GLU B 40 -8.892 5.889 7.665 1.00 0.56 C ATOM 2164 O GLU B 40 -7.926 6.296 8.308 1.00 0.64 O ATOM 2165 CB GLU B 40 -9.744 3.534 7.748 1.00 0.58 C ATOM 2166 CG GLU B 40 -10.762 2.514 8.243 1.00 0.88 C ATOM 2167 CD GLU B 40 -10.807 2.366 9.748 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -9.946 1.664 10.314 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -11.749 2.899 10.367 1.00 1.63 O ATOM 0 H GLU B 40 -11.681 5.171 7.144 1.00 0.57 H new ATOM 0 HA GLU B 40 -9.787 4.942 9.376 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -9.789 3.570 6.660 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -8.746 3.187 8.014 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -11.751 2.802 7.887 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.534 1.545 7.800 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.124 6.253 6.411 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.170 7.056 5.654 1.00 0.49 C ATOM 2178 C LEU B 41 -8.580 8.522 5.663 1.00 0.53 C ATOM 2179 O LEU B 41 -8.181 9.300 4.791 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.059 6.551 4.207 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.300 5.232 4.011 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -8.023 4.065 4.658 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -7.085 4.961 2.532 1.00 1.42 C ATOM 0 H LEU B 41 -9.967 6.004 5.894 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.195 6.960 6.132 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.066 6.431 3.807 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.569 7.321 3.611 1.00 0.43 H new ATOM 0 HG LEU B 41 -6.332 5.334 4.501 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.454 3.150 4.497 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.123 4.247 5.728 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -9.013 3.959 4.214 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.545 4.022 2.409 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -8.050 4.893 2.030 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.505 5.773 2.094 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.362 8.891 6.674 1.00 0.58 N ATOM 2196 CA ALA B 42 -9.898 10.245 6.807 1.00 0.64 C ATOM 2197 C ALA B 42 -8.803 11.301 6.939 1.00 0.71 C ATOM 2198 O ALA B 42 -9.066 12.498 6.813 1.00 0.78 O ATOM 2199 CB ALA B 42 -10.819 10.315 8.013 1.00 0.71 C ATOM 0 H ALA B 42 -9.643 8.260 7.425 1.00 0.58 H new ATOM 0 HA ALA B 42 -10.451 10.463 5.893 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.217 11.325 8.109 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -11.642 9.612 7.884 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.260 10.058 8.913 1.00 0.71 H new ATOM 2205 N ASN B 43 -7.581 10.863 7.190 1.00 0.74 N ATOM 2206 CA ASN B 43 -6.489 11.785 7.473 1.00 0.83 C ATOM 2207 C ASN B 43 -5.468 11.815 6.338 1.00 0.83 C ATOM 2208 O ASN B 43 -4.568 12.656 6.326 1.00 1.07 O ATOM 2209 CB ASN B 43 -5.815 11.382 8.795 1.00 1.00 C ATOM 2210 CG ASN B 43 -4.698 12.323 9.216 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -4.948 13.366 9.822 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -3.458 11.951 8.935 1.00 2.16 N ATOM 0 H ASN B 43 -7.318 9.878 7.204 1.00 0.74 H new ATOM 0 HA ASN B 43 -6.900 12.791 7.562 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -6.568 11.349 9.582 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -5.413 10.374 8.696 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -2.673 12.535 9.222 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -3.288 11.080 8.431 1.00 2.16 H new ATOM 2219 N THR B 44 -5.632 10.947 5.356 1.00 0.65 N ATOM 2220 CA THR B 44 -4.591 10.749 4.366 1.00 0.61 C ATOM 2221 C THR B 44 -5.001 11.284 3.005 1.00 0.59 C ATOM 2222 O THR B 44 -4.359 12.179 2.452 1.00 0.66 O ATOM 2223 CB THR B 44 -4.253 9.261 4.229 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.235 8.647 5.526 1.00 0.65 O ATOM 2225 CG2 THR B 44 -2.900 9.089 3.560 1.00 0.52 C ATOM 0 H THR B 44 -6.466 10.375 5.224 1.00 0.65 H new ATOM 0 HA THR B 44 -3.716 11.299 4.711 1.00 0.61 H new ATOM 0 HB THR B 44 -5.014 8.782 3.613 1.00 0.55 H new ATOM 0 HG1 THR B 44 -3.316 8.398 5.758 1.00 0.65 H new ATOM 0 HG21 THR B 44 -2.672 8.027 3.469 1.00 0.52 H new ATOM 0 HG22 THR B 44 -2.924 9.542 2.569 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.132 9.575 4.162 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.078 10.734 2.476 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.534 11.070 1.141 1.00 0.51 C ATOM 2235 C ILE B 45 -7.284 12.395 1.162 1.00 0.59 C ATOM 2236 O ILE B 45 -7.997 12.692 2.123 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.436 9.954 0.575 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.675 8.624 0.523 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.953 10.328 -0.810 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.486 7.487 -0.061 1.00 0.35 C ATOM 0 H ILE B 45 -6.658 10.046 2.956 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.663 11.167 0.493 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.293 9.837 1.239 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.769 8.756 -0.069 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.360 8.355 1.531 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.587 9.527 -1.190 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.532 11.249 -0.746 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -7.110 10.475 -1.485 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.885 6.577 -0.067 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.379 7.329 0.544 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.779 7.735 -1.081 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.099 13.199 0.117 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.712 14.516 0.059 1.00 0.74 C ATOM 2254 C LYS B 46 -9.226 14.382 -0.001 1.00 0.68 C ATOM 2255 O LYS B 46 -9.756 13.691 -0.871 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.168 15.332 -1.142 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.949 15.211 -2.452 1.00 0.79 C ATOM 2258 CD LYS B 46 -9.097 16.216 -2.517 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.786 16.209 -3.873 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.986 16.905 -4.913 1.00 1.61 N ATOM 0 H LYS B 46 -6.531 12.959 -0.696 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.451 15.063 0.965 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.139 16.384 -0.856 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.139 15.024 -1.327 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -7.276 15.372 -3.294 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -8.344 14.200 -2.549 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.825 15.985 -1.739 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.715 17.216 -2.310 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.964 15.179 -4.183 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.761 16.689 -3.786 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -9.494 16.875 -5.820 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -8.837 17.895 -4.632 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -8.065 16.433 -5.017 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.905 15.016 0.952 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.366 15.017 1.010 1.00 0.67 C ATOM 2276 C ASN B 47 -11.933 13.622 0.812 1.00 0.59 C ATOM 2277 O ASN B 47 -12.908 13.443 0.091 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.955 15.951 -0.046 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.830 17.417 0.311 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.792 18.042 0.084 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.903 17.988 0.831 1.00 1.24 N ATOM 0 H ASN B 47 -9.460 15.542 1.704 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.643 15.372 2.003 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.455 15.773 -0.998 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.008 15.708 -0.189 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.892 18.982 1.060 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.742 17.435 1.003 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.323 12.637 1.456 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.762 11.248 1.332 1.00 0.48 C ATOM 2290 C ILE B 48 -13.189 11.082 1.863 1.00 0.48 C ATOM 2291 O ILE B 48 -13.816 10.034 1.724 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.814 10.304 2.093 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.095 8.842 1.737 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -10.940 10.522 3.590 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -11.030 8.551 0.251 1.00 0.38 C ATOM 0 H ILE B 48 -10.521 12.771 2.072 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.744 10.987 0.274 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.792 10.534 1.793 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.375 8.207 2.254 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.083 8.571 2.108 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.263 9.847 4.114 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.682 11.553 3.830 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -11.965 10.322 3.902 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.240 7.496 0.077 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.769 9.159 -0.271 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -10.034 8.789 -0.123 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.684 12.143 2.466 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.022 12.178 3.016 1.00 0.57 C ATOM 2309 C LYS B 49 -16.026 12.511 1.924 1.00 0.55 C ATOM 2310 O LYS B 49 -17.237 12.361 2.096 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.075 13.229 4.112 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.000 13.044 5.170 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.137 11.710 5.886 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.268 11.720 6.905 1.00 0.83 C ATOM 2315 NZ LYS B 49 -15.002 12.661 8.026 1.00 1.11 N ATOM 0 H LYS B 49 -13.164 13.012 2.589 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.274 11.202 3.431 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -14.969 14.217 3.664 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.055 13.198 4.589 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.017 13.107 4.704 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.061 13.854 5.896 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.317 10.923 5.154 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.200 11.471 6.388 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -16.198 11.999 6.411 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.407 10.714 7.302 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -15.606 12.415 8.836 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -14.003 12.594 8.306 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -15.211 13.633 7.720 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.500 12.963 0.800 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.313 13.367 -0.330 1.00 0.56 C ATOM 2331 C ASP B 50 -16.591 12.188 -1.234 1.00 0.50 C ATOM 2332 O ASP B 50 -15.681 11.474 -1.644 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.611 14.472 -1.119 1.00 0.62 C ATOM 2334 CG ASP B 50 -15.749 15.838 -0.476 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -15.134 16.074 0.588 1.00 1.56 O ATOM 2336 OD2 ASP B 50 -16.479 16.685 -1.035 1.00 1.59 O ATOM 0 H ASP B 50 -14.496 13.060 0.646 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.261 13.748 0.050 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.553 14.227 -1.215 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -16.022 14.508 -2.128 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.865 11.998 -1.538 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.307 10.917 -2.404 1.00 0.48 C ATOM 2343 C LYS B 51 -17.723 11.082 -3.794 1.00 0.49 C ATOM 2344 O LYS B 51 -17.469 10.104 -4.491 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.827 10.913 -2.480 1.00 0.53 C ATOM 2346 CG LYS B 51 -20.408 9.859 -3.412 1.00 0.83 C ATOM 2347 CD LYS B 51 -20.012 8.452 -2.994 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.595 7.407 -3.933 1.00 0.83 C ATOM 2349 NZ LYS B 51 -22.081 7.442 -3.959 1.00 0.92 N ATOM 0 H LYS B 51 -18.621 12.588 -1.192 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.962 9.969 -1.991 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -20.228 10.756 -1.479 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -20.165 11.896 -2.808 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -21.495 9.942 -3.422 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -20.065 10.045 -4.430 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.925 8.367 -2.983 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -20.357 8.262 -1.978 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -20.212 7.572 -4.940 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -20.262 6.416 -3.623 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -22.440 6.587 -4.429 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.444 7.480 -2.985 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -22.399 8.284 -4.481 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.507 12.329 -4.184 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.909 12.622 -5.470 1.00 0.60 C ATOM 2365 C ALA B 52 -15.475 12.146 -5.470 1.00 0.57 C ATOM 2366 O ALA B 52 -14.982 11.613 -6.459 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.970 14.109 -5.758 1.00 0.67 C ATOM 0 H ALA B 52 -17.738 13.151 -3.626 1.00 0.55 H new ATOM 0 HA ALA B 52 -17.464 12.103 -6.251 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -16.516 14.311 -6.728 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -18.010 14.435 -5.769 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.428 14.652 -4.984 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.839 12.304 -4.322 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.462 11.880 -4.137 1.00 0.53 C ATOM 2375 C VAL B 53 -13.401 10.367 -4.067 1.00 0.47 C ATOM 2376 O VAL B 53 -12.578 9.731 -4.714 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.862 12.478 -2.850 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.599 11.739 -2.435 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.555 13.952 -3.031 1.00 0.60 C ATOM 0 H VAL B 53 -15.260 12.728 -3.495 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.879 12.238 -4.985 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.606 12.365 -2.062 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.200 12.184 -1.524 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.834 10.690 -2.253 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.857 11.812 -3.230 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.132 14.352 -2.109 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.838 14.077 -3.843 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.473 14.488 -3.271 1.00 0.60 H new ATOM 2389 N ILE B 54 -14.298 9.799 -3.283 1.00 0.42 N ATOM 2390 CA ILE B 54 -14.401 8.356 -3.153 1.00 0.36 C ATOM 2391 C ILE B 54 -14.663 7.711 -4.499 1.00 0.38 C ATOM 2392 O ILE B 54 -14.179 6.620 -4.781 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.520 7.988 -2.190 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -15.154 8.497 -0.805 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.766 6.481 -2.175 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -16.143 8.111 0.257 1.00 0.38 C ATOM 0 H ILE B 54 -14.972 10.320 -2.722 1.00 0.42 H new ATOM 0 HA ILE B 54 -13.453 7.987 -2.763 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.449 8.455 -2.518 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -14.172 8.111 -0.533 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -15.072 9.583 -0.836 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.571 6.251 -1.477 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -16.046 6.148 -3.175 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.857 5.967 -1.862 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.818 8.508 1.219 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -17.122 8.520 0.008 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.208 7.025 0.316 1.00 0.38 H new ATOM 2408 N ASP B 55 -15.426 8.400 -5.326 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.714 7.924 -6.665 1.00 0.47 C ATOM 2410 C ASP B 55 -14.423 7.917 -7.452 1.00 0.48 C ATOM 2411 O ASP B 55 -14.071 6.935 -8.084 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.730 8.835 -7.346 1.00 0.54 C ATOM 2413 CG ASP B 55 -17.504 8.135 -8.443 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -18.520 7.476 -8.132 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -17.109 8.251 -9.623 1.00 1.53 O ATOM 0 H ASP B 55 -15.859 9.294 -5.093 1.00 0.43 H new ATOM 0 HA ASP B 55 -16.135 6.920 -6.617 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.429 9.214 -6.600 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -16.213 9.698 -7.766 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.707 9.024 -7.350 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.415 9.198 -7.992 1.00 0.53 C ATOM 2422 C GLU B 56 -11.434 8.092 -7.595 1.00 0.47 C ATOM 2423 O GLU B 56 -10.743 7.525 -8.443 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.863 10.565 -7.603 1.00 0.58 C ATOM 2425 CG GLU B 56 -12.631 11.718 -8.226 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.973 13.061 -8.007 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -11.152 13.463 -8.854 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -12.292 13.736 -7.006 1.00 1.66 O ATOM 0 H GLU B 56 -14.010 9.836 -6.813 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.544 9.137 -9.073 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.887 10.664 -6.518 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.818 10.627 -7.905 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.733 11.541 -9.297 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -13.638 11.742 -7.810 1.00 0.69 H new ATOM 2435 N ILE B 57 -11.375 7.796 -6.303 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.516 6.742 -5.785 1.00 0.39 C ATOM 2437 C ILE B 57 -10.994 5.378 -6.255 1.00 0.36 C ATOM 2438 O ILE B 57 -10.248 4.634 -6.882 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.507 6.775 -4.246 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.488 7.792 -3.708 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -10.218 5.401 -3.664 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.648 9.204 -4.230 1.00 1.00 C ATOM 0 H ILE B 57 -11.919 8.278 -5.588 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.507 6.912 -6.160 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.504 7.085 -3.932 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -9.560 7.814 -2.621 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -8.485 7.442 -3.954 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -10.219 5.459 -2.576 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -10.985 4.699 -3.990 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -9.242 5.058 -4.008 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -8.882 9.843 -3.791 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -9.543 9.205 -5.315 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -10.634 9.582 -3.961 1.00 1.00 H new ATOM 2454 N PHE B 58 -12.253 5.074 -5.958 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.827 3.777 -6.259 1.00 0.36 C ATOM 2456 C PHE B 58 -12.693 3.465 -7.737 1.00 0.41 C ATOM 2457 O PHE B 58 -12.294 2.372 -8.116 1.00 0.44 O ATOM 2458 CB PHE B 58 -14.300 3.734 -5.845 1.00 0.38 C ATOM 2459 CG PHE B 58 -15.004 2.472 -6.249 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.856 1.314 -5.507 1.00 1.52 C ATOM 2461 CD2 PHE B 58 -15.808 2.444 -7.375 1.00 1.11 C ATOM 2462 CE1 PHE B 58 -15.497 0.151 -5.880 1.00 1.67 C ATOM 2463 CE2 PHE B 58 -16.451 1.286 -7.752 1.00 1.16 C ATOM 2464 CZ PHE B 58 -16.294 0.138 -7.003 1.00 0.93 C ATOM 0 H PHE B 58 -12.898 5.720 -5.504 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.281 3.023 -5.692 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.367 3.847 -4.763 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.817 4.586 -6.287 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.232 1.321 -4.626 1.00 1.52 H new ATOM 0 HD2 PHE B 58 -15.933 3.340 -7.965 1.00 1.11 H new ATOM 0 HE1 PHE B 58 -15.374 -0.747 -5.293 1.00 1.67 H new ATOM 0 HE2 PHE B 58 -17.077 1.277 -8.632 1.00 1.16 H new ATOM 0 HZ PHE B 58 -16.796 -0.771 -7.298 1.00 0.93 H new ATOM 2474 N GLN B 59 -13.013 4.448 -8.559 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.930 4.307 -9.999 1.00 0.52 C ATOM 2476 C GLN B 59 -11.480 4.178 -10.447 1.00 0.52 C ATOM 2477 O GLN B 59 -11.191 3.577 -11.483 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.596 5.507 -10.672 1.00 0.58 C ATOM 2479 CG GLN B 59 -15.111 5.545 -10.501 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.862 4.628 -11.458 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -17.010 4.897 -11.812 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -15.230 3.551 -11.900 1.00 1.63 N ATOM 0 H GLN B 59 -13.337 5.364 -8.247 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.453 3.398 -10.294 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -13.170 6.424 -10.263 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.360 5.493 -11.736 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -15.359 5.267 -9.477 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.458 6.568 -10.646 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -14.279 3.354 -11.589 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -15.695 2.919 -12.552 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.571 4.735 -9.652 1.00 0.48 N ATOM 2492 CA GLY B 60 -9.158 4.616 -9.948 1.00 0.49 C ATOM 2493 C GLY B 60 -8.648 3.209 -9.708 1.00 0.47 C ATOM 2494 O GLY B 60 -7.658 2.785 -10.309 1.00 0.53 O ATOM 0 H GLY B 60 -10.790 5.266 -8.809 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.980 4.895 -10.987 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.597 5.316 -9.329 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.324 2.484 -8.823 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.968 1.101 -8.535 1.00 0.44 C ATOM 2500 C LEU B 61 -9.786 0.175 -9.413 1.00 0.51 C ATOM 2501 O LEU B 61 -9.269 -0.797 -9.960 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.220 0.753 -7.063 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.297 1.939 -6.105 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.799 1.483 -4.747 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.937 2.616 -5.975 1.00 0.35 C ATOM 0 H LEU B 61 -10.122 2.833 -8.293 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.905 0.976 -8.740 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -10.154 0.194 -6.996 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.425 0.088 -6.725 1.00 0.39 H new ATOM 0 HG LEU B 61 -10.000 2.667 -6.510 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.850 2.337 -4.072 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.792 1.046 -4.854 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -9.117 0.738 -4.338 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -8.014 3.459 -5.288 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.210 1.900 -5.592 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.614 2.974 -6.953 1.00 0.35 H new ATOM 2517 N ASP B 62 -11.066 0.500 -9.548 1.00 0.51 N ATOM 2518 CA ASP B 62 -12.002 -0.292 -10.337 1.00 0.59 C ATOM 2519 C ASP B 62 -11.727 -0.105 -11.825 1.00 0.70 C ATOM 2520 O ASP B 62 -12.461 0.578 -12.538 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.445 0.105 -9.998 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.483 -0.784 -10.658 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.652 -1.936 -10.214 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -15.153 -0.328 -11.606 1.00 1.11 O ATOM 0 H ASP B 62 -11.485 1.322 -9.113 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.867 -1.346 -10.093 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.580 0.069 -8.917 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.612 1.137 -10.306 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.640 -0.704 -12.280 1.00 0.78 N ATOM 2530 CA ALA B 63 -10.256 -0.648 -13.680 1.00 0.94 C ATOM 2531 C ALA B 63 -11.069 -1.651 -14.472 1.00 1.12 C ATOM 2532 O ALA B 63 -11.183 -1.562 -15.694 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.768 -0.919 -13.838 1.00 1.00 C ATOM 0 H ALA B 63 -10.001 -1.240 -11.693 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.458 0.352 -14.063 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.500 -0.873 -14.893 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -8.201 -0.169 -13.286 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.535 -1.910 -13.448 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.646 -2.596 -13.746 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.482 -3.629 -14.333 1.00 1.28 C ATOM 2541 C ASN B 64 -13.836 -3.050 -14.741 1.00 1.22 C ATOM 2542 O ASN B 64 -14.566 -3.633 -15.545 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.672 -4.779 -13.337 1.00 1.34 C ATOM 2544 CG ASN B 64 -13.434 -4.349 -12.096 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -14.657 -4.421 -12.061 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -12.721 -3.911 -11.063 1.00 2.80 N ATOM 0 H ASN B 64 -11.547 -2.668 -12.733 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.989 -4.015 -15.225 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -13.207 -5.594 -13.825 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -11.697 -5.168 -13.045 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -13.191 -3.621 -10.205 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -11.704 -3.865 -11.128 1.00 2.80 H new ATOM 2553 N GLN B 65 -14.148 -1.889 -14.155 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.336 -1.106 -14.488 1.00 1.06 C ATOM 2555 C GLN B 65 -16.628 -1.874 -14.248 1.00 1.04 C ATOM 2556 O GLN B 65 -17.579 -1.770 -15.023 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.266 -0.602 -15.931 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.297 0.554 -16.114 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.688 1.768 -15.289 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -15.868 1.997 -15.020 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -13.704 2.549 -14.879 1.00 2.58 N ATOM 0 H GLN B 65 -13.573 -1.464 -13.427 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.348 -0.248 -13.815 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -14.968 -1.424 -16.582 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.260 -0.288 -16.248 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -13.294 0.233 -15.832 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -14.259 0.830 -17.168 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -12.739 2.325 -15.123 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -13.909 3.376 -14.318 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.674 -2.624 -13.161 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.882 -3.360 -12.806 1.00 0.95 C ATOM 2572 C ASP B 66 -18.366 -2.939 -11.426 1.00 0.81 C ATOM 2573 O ASP B 66 -19.318 -3.500 -10.883 1.00 0.82 O ATOM 2574 CB ASP B 66 -17.624 -4.870 -12.850 1.00 1.06 C ATOM 2575 CG ASP B 66 -18.899 -5.691 -12.827 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -19.625 -5.690 -13.844 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -19.167 -6.368 -11.810 1.00 2.14 O ATOM 0 H ASP B 66 -15.897 -2.741 -12.511 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.660 -3.126 -13.533 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -17.060 -5.110 -13.751 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -17.002 -5.151 -12.000 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.700 -1.926 -10.880 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.979 -1.420 -9.541 1.00 0.63 C ATOM 2584 C GLU B 67 -17.705 -2.505 -8.503 1.00 0.58 C ATOM 2585 O GLU B 67 -18.592 -2.926 -7.755 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.417 -0.884 -9.421 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.698 -0.193 -8.091 1.00 0.97 C ATOM 2588 CD GLU B 67 -21.084 0.407 -8.010 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -22.066 -0.354 -7.884 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -21.196 1.647 -8.050 1.00 2.00 O ATOM 0 H GLU B 67 -16.947 -1.430 -11.357 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.312 -0.579 -9.351 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.604 -0.182 -10.233 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -20.116 -1.710 -9.547 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.573 -0.913 -7.282 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.959 0.593 -7.935 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.467 -2.967 -8.482 1.00 0.62 N ATOM 2598 CA GLN B 68 -16.029 -3.925 -7.488 1.00 0.66 C ATOM 2599 C GLN B 68 -14.552 -3.726 -7.175 1.00 0.66 C ATOM 2600 O GLN B 68 -13.683 -3.896 -8.037 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.293 -5.361 -7.961 1.00 0.86 C ATOM 2602 CG GLN B 68 -15.776 -5.656 -9.360 1.00 1.38 C ATOM 2603 CD GLN B 68 -16.012 -7.091 -9.792 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -16.968 -7.735 -9.366 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -15.143 -7.599 -10.646 1.00 2.07 N ATOM 0 H GLN B 68 -15.745 -2.691 -9.147 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.602 -3.759 -6.576 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.829 -6.055 -7.260 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -17.366 -5.550 -7.934 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -16.261 -4.985 -10.069 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -14.708 -5.442 -9.399 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -14.362 -7.032 -10.977 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -15.253 -8.558 -10.975 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.275 -3.361 -5.936 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.911 -3.202 -5.481 1.00 0.64 C ATOM 2616 C VAL B 69 -12.434 -4.476 -4.784 1.00 0.64 C ATOM 2617 O VAL B 69 -12.817 -4.774 -3.656 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.780 -1.976 -4.535 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -13.794 -2.037 -3.397 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -11.367 -1.855 -3.984 1.00 1.22 C ATOM 0 H VAL B 69 -14.982 -3.169 -5.226 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.278 -3.023 -6.350 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.993 -1.087 -5.128 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -13.674 -1.164 -2.755 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -14.803 -2.048 -3.809 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.631 -2.942 -2.812 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -11.306 -0.988 -3.326 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -11.117 -2.755 -3.423 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -10.664 -1.734 -4.808 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.593 -5.234 -5.470 1.00 0.67 N ATOM 2631 CA ASP B 70 -11.003 -6.429 -4.885 1.00 0.73 C ATOM 2632 C ASP B 70 -9.840 -6.043 -3.995 1.00 0.64 C ATOM 2633 O ASP B 70 -9.510 -4.866 -3.899 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.516 -7.398 -5.966 1.00 0.84 C ATOM 2635 CG ASP B 70 -11.632 -8.210 -6.584 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -12.079 -9.184 -5.949 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -12.038 -7.903 -7.723 1.00 2.02 O ATOM 0 H ASP B 70 -11.304 -5.044 -6.430 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.772 -6.930 -4.297 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.009 -6.834 -6.749 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.779 -8.075 -5.533 1.00 0.84 H new ATOM 2642 N PHE B 71 -9.205 -7.014 -3.361 1.00 0.70 N ATOM 2643 CA PHE B 71 -8.019 -6.727 -2.564 1.00 0.67 C ATOM 2644 C PHE B 71 -6.911 -6.175 -3.456 1.00 0.56 C ATOM 2645 O PHE B 71 -6.092 -5.373 -3.023 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.541 -7.976 -1.822 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.412 -8.356 -0.654 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.613 -9.018 -0.850 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -8.021 -8.055 0.642 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -10.409 -9.371 0.224 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -8.813 -8.406 1.718 1.00 1.76 C ATOM 2652 CZ PHE B 71 -10.009 -9.065 1.509 1.00 1.77 C ATOM 0 H PHE B 71 -9.483 -7.995 -3.380 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.278 -5.975 -1.819 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.502 -8.811 -2.522 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.524 -7.810 -1.467 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.931 -9.261 -1.853 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -7.087 -7.540 0.812 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -11.344 -9.886 0.057 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -8.497 -8.165 2.722 1.00 1.76 H new ATOM 0 HZ PHE B 71 -10.629 -9.340 2.349 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.911 -6.605 -4.712 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.972 -6.092 -5.705 1.00 0.57 C ATOM 2664 C GLN B 72 -6.281 -4.634 -6.048 1.00 0.50 C ATOM 2665 O GLN B 72 -5.381 -3.801 -6.136 1.00 0.47 O ATOM 2666 CB GLN B 72 -6.028 -6.943 -6.972 1.00 0.70 C ATOM 2667 CG GLN B 72 -5.072 -6.472 -8.052 1.00 0.75 C ATOM 2668 CD GLN B 72 -5.250 -7.211 -9.364 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -4.999 -6.659 -10.436 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -5.684 -8.458 -9.298 1.00 1.66 N ATOM 0 H GLN B 72 -7.554 -7.311 -5.069 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.969 -6.143 -5.280 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -5.797 -7.977 -6.717 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -7.045 -6.931 -7.365 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -5.219 -5.405 -8.219 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -4.047 -6.602 -7.704 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -5.881 -8.882 -8.392 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -5.821 -8.996 -10.154 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.555 -4.334 -6.241 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.983 -2.970 -6.524 1.00 0.47 C ATOM 2681 C GLU B 73 -7.740 -2.109 -5.286 1.00 0.36 C ATOM 2682 O GLU B 73 -7.318 -0.958 -5.375 1.00 0.33 O ATOM 2683 CB GLU B 73 -9.466 -2.951 -6.916 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.859 -4.023 -7.932 1.00 0.78 C ATOM 2685 CD GLU B 73 -9.208 -3.854 -9.293 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -7.963 -3.911 -9.377 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -9.944 -3.678 -10.291 1.00 1.99 O ATOM 0 H GLU B 73 -8.313 -5.016 -6.207 1.00 0.50 H new ATOM 0 HA GLU B 73 -7.410 -2.569 -7.360 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -10.069 -3.079 -6.017 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.709 -1.971 -7.326 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -9.593 -5.002 -7.533 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -10.942 -4.012 -8.055 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.987 -2.708 -4.128 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.713 -2.085 -2.840 1.00 0.34 C ATOM 2696 C PHE B 74 -6.214 -1.856 -2.667 1.00 0.32 C ATOM 2697 O PHE B 74 -5.788 -0.936 -1.970 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.263 -2.982 -1.725 1.00 0.43 C ATOM 2699 CG PHE B 74 -7.931 -2.534 -0.332 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -8.597 -1.469 0.245 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -6.961 -3.193 0.402 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -8.300 -1.066 1.533 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -6.659 -2.797 1.686 1.00 1.92 C ATOM 2704 CZ PHE B 74 -7.331 -1.731 2.255 1.00 1.90 C ATOM 0 H PHE B 74 -8.385 -3.644 -4.056 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.204 -1.113 -2.791 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.347 -3.037 -1.825 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.878 -3.992 -1.868 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.357 -0.947 -0.317 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.435 -4.028 -0.037 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -8.826 -0.232 1.974 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -5.898 -3.318 2.248 1.00 1.92 H new ATOM 0 HZ PHE B 74 -7.098 -1.420 3.263 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.422 -2.688 -3.327 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.979 -2.543 -3.328 1.00 0.36 C ATOM 2716 C ILE B 75 -3.600 -1.248 -4.026 1.00 0.34 C ATOM 2717 O ILE B 75 -2.719 -0.512 -3.572 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.316 -3.762 -4.014 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.886 -4.782 -2.970 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -2.140 -3.356 -4.883 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.641 -6.146 -3.554 1.00 0.67 C ATOM 0 H ILE B 75 -5.762 -3.479 -3.874 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.618 -2.503 -2.300 1.00 0.36 H new ATOM 0 HB ILE B 75 -4.058 -4.216 -4.671 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.977 -4.433 -2.480 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.655 -4.854 -2.201 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.705 -4.243 -5.345 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.481 -2.672 -5.660 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.388 -2.861 -4.269 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.337 -6.831 -2.763 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.556 -6.512 -4.020 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.852 -6.085 -4.304 1.00 0.67 H new ATOM 2733 N SER B 76 -4.298 -0.959 -5.114 1.00 0.34 N ATOM 2734 CA SER B 76 -4.125 0.294 -5.808 1.00 0.36 C ATOM 2735 C SER B 76 -4.527 1.453 -4.903 1.00 0.31 C ATOM 2736 O SER B 76 -3.879 2.489 -4.893 1.00 0.33 O ATOM 2737 CB SER B 76 -4.949 0.301 -7.092 1.00 0.45 C ATOM 2738 OG SER B 76 -4.520 -0.725 -7.969 1.00 0.74 O ATOM 0 H SER B 76 -4.990 -1.582 -5.531 1.00 0.34 H new ATOM 0 HA SER B 76 -3.074 0.412 -6.073 1.00 0.36 H new ATOM 0 HB2 SER B 76 -6.004 0.165 -6.854 1.00 0.45 H new ATOM 0 HB3 SER B 76 -4.856 1.269 -7.584 1.00 0.45 H new ATOM 0 HG SER B 76 -5.062 -0.705 -8.786 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.579 1.254 -4.119 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.049 2.277 -3.190 1.00 0.26 C ATOM 2746 C LEU B 77 -4.950 2.686 -2.229 1.00 0.23 C ATOM 2747 O LEU B 77 -4.743 3.870 -1.982 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.250 1.773 -2.394 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.579 2.586 -1.140 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.972 4.006 -1.503 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.681 1.913 -0.346 1.00 1.14 C ATOM 0 H LEU B 77 -6.125 0.392 -4.107 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.345 3.144 -3.781 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.124 1.769 -3.046 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.066 0.739 -2.101 1.00 0.30 H new ATOM 0 HG LEU B 77 -6.684 2.632 -0.519 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -8.201 4.564 -0.595 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.147 4.489 -2.027 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -8.850 3.987 -2.148 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.902 2.504 0.542 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -9.577 1.834 -0.962 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.357 0.916 -0.047 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.244 1.707 -1.693 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.189 1.989 -0.740 1.00 0.25 C ATOM 2765 C VAL B 78 -2.051 2.722 -1.429 1.00 0.27 C ATOM 2766 O VAL B 78 -1.374 3.535 -0.820 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.665 0.710 -0.072 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.699 1.057 1.044 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.829 -0.117 0.453 1.00 0.31 C ATOM 0 H VAL B 78 -4.381 0.718 -1.900 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.609 2.620 0.043 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.128 0.116 -0.812 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.336 0.140 1.509 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -0.857 1.616 0.636 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.209 1.665 1.791 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.448 -1.023 0.925 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.389 0.466 1.184 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.485 -0.388 -0.374 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.865 2.444 -2.708 1.00 0.31 N ATOM 2780 CA ALA B 79 -0.910 3.181 -3.518 1.00 0.36 C ATOM 2781 C ALA B 79 -1.322 4.649 -3.603 1.00 0.33 C ATOM 2782 O ALA B 79 -0.513 5.551 -3.390 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.822 2.563 -4.905 1.00 0.43 C ATOM 0 H ALA B 79 -2.365 1.710 -3.210 1.00 0.31 H new ATOM 0 HA ALA B 79 0.075 3.127 -3.053 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.104 3.120 -5.507 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.497 1.526 -4.821 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.801 2.599 -5.382 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.600 4.866 -3.898 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.186 6.205 -3.933 1.00 0.32 C ATOM 2791 C ILE B 80 -3.033 6.892 -2.579 1.00 0.28 C ATOM 2792 O ILE B 80 -2.718 8.080 -2.497 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.697 6.143 -4.306 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.898 6.061 -5.823 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.462 7.334 -3.741 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.272 4.849 -6.469 1.00 0.40 C ATOM 0 H ILE B 80 -3.260 4.120 -4.120 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.655 6.777 -4.694 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.096 5.234 -3.856 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -5.967 6.060 -6.036 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.482 6.958 -6.282 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.513 7.258 -4.021 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.375 7.340 -2.654 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.046 8.258 -4.143 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.462 4.870 -7.542 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.197 4.856 -6.291 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.705 3.945 -6.041 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.251 6.127 -1.528 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.261 6.652 -0.179 1.00 0.23 C ATOM 2810 C ALA B 81 -1.856 6.955 0.328 1.00 0.23 C ATOM 2811 O ALA B 81 -1.633 7.975 0.965 1.00 0.28 O ATOM 2812 CB ALA B 81 -3.977 5.682 0.736 1.00 0.24 C ATOM 0 H ALA B 81 -3.426 5.124 -1.586 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.798 7.600 -0.185 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -3.984 6.078 1.752 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.002 5.547 0.392 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.461 4.722 0.724 1.00 0.24 H new ATOM 2818 N LEU B 82 -0.911 6.073 0.039 1.00 0.22 N ATOM 2819 CA LEU B 82 0.486 6.321 0.372 1.00 0.23 C ATOM 2820 C LEU B 82 0.969 7.556 -0.369 1.00 0.24 C ATOM 2821 O LEU B 82 1.758 8.351 0.151 1.00 0.30 O ATOM 2822 CB LEU B 82 1.356 5.125 -0.001 1.00 0.25 C ATOM 2823 CG LEU B 82 1.082 3.836 0.773 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.996 2.741 0.278 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.271 4.047 2.266 1.00 0.32 C ATOM 0 H LEU B 82 -1.084 5.181 -0.424 1.00 0.22 H new ATOM 0 HA LEU B 82 0.565 6.479 1.448 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.226 4.923 -1.064 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.401 5.400 0.146 1.00 0.25 H new ATOM 0 HG LEU B 82 0.046 3.543 0.604 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.798 1.823 0.832 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.817 2.570 -0.783 1.00 0.33 H new ATOM 0 HD13 LEU B 82 3.034 3.038 0.428 1.00 0.33 H new ATOM 0 HD21 LEU B 82 1.070 3.115 2.794 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.296 4.361 2.462 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.583 4.817 2.615 1.00 0.32 H new ATOM 2837 N LYS B 83 0.478 7.707 -1.592 1.00 0.26 N ATOM 2838 CA LYS B 83 0.742 8.895 -2.379 1.00 0.33 C ATOM 2839 C LYS B 83 0.120 10.110 -1.709 1.00 0.31 C ATOM 2840 O LYS B 83 0.729 11.164 -1.627 1.00 0.44 O ATOM 2841 CB LYS B 83 0.191 8.738 -3.797 1.00 0.42 C ATOM 2842 CG LYS B 83 1.258 8.852 -4.867 1.00 0.66 C ATOM 2843 CD LYS B 83 1.897 10.216 -4.805 1.00 1.04 C ATOM 2844 CE LYS B 83 3.198 10.294 -5.579 1.00 0.80 C ATOM 2845 NZ LYS B 83 3.002 10.088 -7.038 1.00 1.67 N ATOM 0 H LYS B 83 -0.108 7.015 -2.059 1.00 0.26 H new ATOM 0 HA LYS B 83 1.821 9.035 -2.443 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.300 7.769 -3.884 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.571 9.498 -3.970 1.00 0.42 H new ATOM 0 HG2 LYS B 83 2.013 8.079 -4.724 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.818 8.690 -5.851 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.201 10.956 -5.199 1.00 1.04 H new ATOM 0 HD3 LYS B 83 2.084 10.477 -3.763 1.00 1.04 H new ATOM 0 HE2 LYS B 83 3.660 11.267 -5.411 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.890 9.543 -5.198 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 3.919 10.150 -7.524 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 2.586 9.149 -7.203 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 2.363 10.820 -7.409 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.091 9.945 -1.208 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.782 11.013 -0.504 1.00 0.35 C ATOM 2861 C ALA B 84 -1.087 11.342 0.816 1.00 0.33 C ATOM 2862 O ALA B 84 -1.267 12.424 1.364 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.234 10.636 -0.266 1.00 0.48 C ATOM 0 H ALA B 84 -1.620 9.076 -1.276 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.752 11.906 -1.128 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.738 11.445 0.262 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.727 10.464 -1.223 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.280 9.727 0.334 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.313 10.395 1.326 1.00 0.30 N ATOM 2870 CA ALA B 85 0.413 10.577 2.577 1.00 0.38 C ATOM 2871 C ALA B 85 1.703 11.371 2.367 1.00 0.44 C ATOM 2872 O ALA B 85 1.890 12.434 2.960 1.00 0.57 O ATOM 2873 CB ALA B 85 0.722 9.225 3.202 1.00 0.42 C ATOM 0 H ALA B 85 -0.170 9.485 0.889 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.222 11.149 3.253 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.264 9.371 4.136 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.209 8.695 3.402 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.333 8.638 2.516 1.00 0.42 H new ATOM 2879 N HIS B 86 2.591 10.854 1.523 1.00 0.44 N ATOM 2880 CA HIS B 86 3.880 11.504 1.282 1.00 0.59 C ATOM 2881 C HIS B 86 3.714 12.712 0.368 1.00 0.63 C ATOM 2882 O HIS B 86 4.210 13.802 0.642 1.00 0.72 O ATOM 2883 CB HIS B 86 4.867 10.522 0.652 1.00 0.69 C ATOM 2884 CG HIS B 86 6.220 11.124 0.411 1.00 1.28 C ATOM 2885 ND1 HIS B 86 6.697 11.439 -0.846 1.00 2.06 N ATOM 2886 CD2 HIS B 86 7.191 11.488 1.280 1.00 2.11 C ATOM 2887 CE1 HIS B 86 7.900 11.969 -0.736 1.00 2.66 C ATOM 2888 NE2 HIS B 86 8.222 12.010 0.544 1.00 2.68 N ATOM 0 H HIS B 86 2.446 9.993 0.996 1.00 0.44 H new ATOM 0 HA HIS B 86 4.270 11.838 2.244 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.972 9.654 1.303 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.461 10.164 -0.294 1.00 0.69 H new ATOM 0 HD2 HIS B 86 7.159 11.386 2.355 1.00 2.11 H new ATOM 0 HE1 HIS B 86 8.517 12.311 -1.554 1.00 2.66 H new ATOM 0 HE2 HIS B 86 9.097 12.372 0.923 1.00 2.68 H new ATOM 2897 N TYR B 87 2.997 12.488 -0.712 1.00 0.58 N ATOM 2898 CA TYR B 87 2.748 13.484 -1.744 1.00 0.65 C ATOM 2899 C TYR B 87 1.499 14.286 -1.392 1.00 0.62 C ATOM 2900 O TYR B 87 0.756 14.697 -2.280 1.00 0.66 O ATOM 2901 CB TYR B 87 2.616 12.821 -3.113 1.00 0.69 C ATOM 2902 CG TYR B 87 2.843 13.740 -4.294 1.00 0.87 C ATOM 2903 CD1 TYR B 87 4.081 14.333 -4.505 1.00 1.43 C ATOM 2904 CD2 TYR B 87 1.828 13.996 -5.206 1.00 1.63 C ATOM 2905 CE1 TYR B 87 4.299 15.159 -5.591 1.00 1.54 C ATOM 2906 CE2 TYR B 87 2.041 14.816 -6.296 1.00 1.80 C ATOM 2907 CZ TYR B 87 3.277 15.395 -6.484 1.00 1.29 C ATOM 2908 OH TYR B 87 3.492 16.210 -7.572 1.00 1.51 O ATOM 0 H TYR B 87 2.558 11.588 -0.906 1.00 0.58 H new ATOM 0 HA TYR B 87 3.595 14.168 -1.794 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.327 11.997 -3.171 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.619 12.388 -3.195 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.886 14.146 -3.810 1.00 1.43 H new ATOM 0 HD2 TYR B 87 0.857 13.547 -5.060 1.00 1.63 H new ATOM 0 HE1 TYR B 87 5.266 15.617 -5.739 1.00 1.54 H new ATOM 0 HE2 TYR B 87 1.242 15.003 -6.998 1.00 1.80 H new ATOM 0 HH TYR B 87 2.670 16.271 -8.102 1.00 1.51 H new ATOM 2918 N HIS B 88 1.211 14.341 -0.080 1.00 0.59 N ATOM 2919 CA HIS B 88 0.039 15.024 0.522 1.00 0.62 C ATOM 2920 C HIS B 88 -0.209 16.464 0.006 1.00 0.70 C ATOM 2921 O HIS B 88 -0.965 17.224 0.606 1.00 0.76 O ATOM 2922 CB HIS B 88 0.225 15.048 2.050 1.00 0.65 C ATOM 2923 CG HIS B 88 -1.025 15.318 2.839 1.00 1.54 C ATOM 2924 ND1 HIS B 88 -1.983 14.358 3.083 1.00 2.37 N ATOM 2925 CD2 HIS B 88 -1.461 16.441 3.459 1.00 2.40 C ATOM 2926 CE1 HIS B 88 -2.950 14.875 3.816 1.00 3.26 C ATOM 2927 NE2 HIS B 88 -2.657 16.139 4.059 1.00 3.27 N ATOM 0 H HIS B 88 1.805 13.897 0.620 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.842 14.455 0.224 1.00 0.62 H new ATOM 0 HB2 HIS B 88 0.636 14.089 2.366 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.965 15.809 2.299 1.00 0.65 H new ATOM 0 HD1 HIS B 88 -1.949 13.395 2.748 1.00 2.37 H new ATOM 0 HD2 HIS B 88 -0.960 17.397 3.477 1.00 2.40 H new ATOM 0 HE1 HIS B 88 -3.831 14.353 4.159 1.00 3.26 H new ATOM 2936 N THR B 89 0.380 16.817 -1.120 1.00 0.73 N ATOM 2937 CA THR B 89 0.096 18.066 -1.805 1.00 0.81 C ATOM 2938 C THR B 89 -1.201 17.911 -2.606 1.00 0.72 C ATOM 2939 O THR B 89 -1.500 18.689 -3.511 1.00 1.05 O ATOM 2940 CB THR B 89 1.263 18.429 -2.746 1.00 0.97 C ATOM 2941 OG1 THR B 89 1.072 19.730 -3.318 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.410 17.393 -3.857 1.00 0.90 C ATOM 0 H THR B 89 1.077 16.240 -1.591 1.00 0.73 H new ATOM 0 HA THR B 89 -0.021 18.867 -1.075 1.00 0.81 H new ATOM 0 HB THR B 89 2.176 18.437 -2.151 1.00 0.97 H new ATOM 0 HG1 THR B 89 0.135 19.835 -3.586 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.239 17.672 -4.507 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.606 16.414 -3.418 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.490 17.352 -4.440 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.956 16.880 -2.229 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.197 16.483 -2.883 1.00 0.65 C ATOM 2952 C HIS B 90 -2.883 15.718 -4.148 1.00 0.94 C ATOM 2953 O HIS B 90 -2.931 16.261 -5.251 1.00 1.78 O ATOM 2954 CB HIS B 90 -4.137 17.657 -3.193 1.00 0.91 C ATOM 2955 CG HIS B 90 -4.704 18.335 -1.981 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -5.838 19.117 -2.021 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -4.287 18.351 -0.693 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -6.092 19.584 -0.812 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -5.167 19.134 0.008 1.00 3.47 N ATOM 0 H HIS B 90 -1.713 16.283 -1.438 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.732 15.848 -2.177 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -3.595 18.394 -3.786 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.960 17.295 -3.810 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -3.423 17.842 -0.293 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -6.918 20.226 -0.543 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -5.113 19.336 1.006 1.00 3.47 H new