USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 840 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: C 39 TYR OH : rot -18:sc= -0.286 USER MOD Set 1.2: C 50 HIS : no HE2:sc= -2.14 X(o=-2.4,f=-2.7) USER MOD Set 2.1: B 21 ASN : amide:sc= -3.45 K(o=-3.8,f=-4.9!) USER MOD Set 2.2: B 52 ASN : amide:sc= -0.318 K(o=-3.8,f=-3.2) USER MOD Set 3.1: A 21 ASN : amide:sc= -3.69! C(o=-5!,f=-3.9!) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.29 K(o=-5,f=-3.8) USER MOD Set 4.1: A 35 HIS : no HD1:sc= 0 K(o=-0.0018,f=-0.56) USER MOD Set 4.2: B 23 ASN : amide:sc=-0.00183 K(o=-0.0018,f=-2.4) USER MOD Single : A 18 TYR OH : rot 82:sc= -3.31! USER MOD Single : A 23 ASN : amide:sc= -3.63! C(o=-3.6!,f=-2.5!) USER MOD Single : A 26 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.42) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 79:sc= 0.00152 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.384 K(o=-0.38,f=-5.1!) USER MOD Single : A 41 SER OG : rot -113:sc= 1.22 USER MOD Single : A 43 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.067) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.21) USER MOD Single : A 55 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.69) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= -4.54! K(o=-4.5!,f=-0.24) USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 33 SER OG : rot 76:sc= 0.17 USER MOD Single : B 35 HIS : no HD1:sc=-0.00857 X(o=-0.0086,f=-0.3) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.023) USER MOD Single : B 41 SER OG : rot -86:sc= 0.523 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 160:sc= -0.17 (180deg=-0.476) USER MOD Single : B 50 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.11) USER MOD Single : B 55 GLN : amide:sc= -2.84 K(o=-2.8,f=-1) USER MOD Single : B 58 LYS NZ :NH3+ 173:sc=-0.000185 (180deg=-0.0466) USER MOD Single : C 42 SER OG : rot 180:sc= -0.264 USER MOD Single : C 43 LYS NZ :NH3+ 150:sc= -0.148 (180deg=-0.761) USER MOD Single : C 44 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : C 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 THR OG1 : rot 180:sc= -0.0469 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 13 -12.107 -3.732 -14.847 1.00 2.62 N ATOM 2 CA ASP A 13 -11.471 -4.495 -13.750 1.00 1.91 C ATOM 3 C ASP A 13 -10.875 -3.533 -12.737 1.00 1.47 C ATOM 4 O ASP A 13 -11.030 -2.315 -12.875 1.00 2.03 O ATOM 5 CB ASP A 13 -10.380 -5.423 -14.294 1.00 2.11 C ATOM 6 CG ASP A 13 -9.164 -4.669 -14.786 1.00 2.62 C ATOM 7 OD1 ASP A 13 -9.282 -3.922 -15.778 1.00 3.19 O ATOM 8 OD2 ASP A 13 -8.079 -4.828 -14.189 1.00 3.14 O ATOM 0 HA ASP A 13 -12.232 -5.107 -13.266 1.00 1.91 H new ATOM 0 HB2 ASP A 13 -10.078 -6.120 -13.512 1.00 2.11 H new ATOM 0 HB3 ASP A 13 -10.789 -6.018 -15.111 1.00 2.11 H new ATOM 15 N GLY A 14 -10.216 -4.075 -11.718 1.00 0.76 N ATOM 16 CA GLY A 14 -9.579 -3.254 -10.710 1.00 0.80 C ATOM 17 C GLY A 14 -8.654 -2.202 -11.263 1.00 0.66 C ATOM 18 O GLY A 14 -8.188 -2.275 -12.403 1.00 0.96 O ATOM 0 H GLY A 14 -10.112 -5.079 -11.574 1.00 0.76 H new ATOM 0 HA2 GLY A 14 -10.351 -2.766 -10.114 1.00 0.80 H new ATOM 0 HA3 GLY A 14 -9.016 -3.899 -10.036 1.00 0.80 H new ATOM 22 N GLU A 15 -8.387 -1.231 -10.426 1.00 0.31 N ATOM 23 CA GLU A 15 -7.627 -0.067 -10.804 1.00 0.18 C ATOM 24 C GLU A 15 -6.895 0.497 -9.594 1.00 0.13 C ATOM 25 O GLU A 15 -7.180 0.109 -8.463 1.00 0.17 O ATOM 26 CB GLU A 15 -8.607 0.922 -11.389 1.00 0.24 C ATOM 27 CG GLU A 15 -9.384 1.713 -10.370 1.00 0.30 C ATOM 28 CD GLU A 15 -10.517 2.493 -11.000 1.00 0.58 C ATOM 29 OE1 GLU A 15 -10.271 3.595 -11.519 1.00 1.58 O ATOM 30 OE2 GLU A 15 -11.664 1.998 -10.983 1.00 0.94 O ATOM 0 H GLU A 15 -8.694 -1.227 -9.453 1.00 0.31 H new ATOM 0 HA GLU A 15 -6.861 -0.306 -11.542 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -8.064 1.616 -12.031 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -9.310 0.384 -12.025 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -9.785 1.036 -9.616 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -8.712 2.401 -9.856 1.00 0.30 H new ATOM 37 N ILE A 16 -5.967 1.408 -9.823 1.00 0.12 N ATOM 38 CA ILE A 16 -5.131 1.908 -8.748 1.00 0.11 C ATOM 39 C ILE A 16 -5.632 3.239 -8.213 1.00 0.10 C ATOM 40 O ILE A 16 -6.158 4.072 -8.949 1.00 0.14 O ATOM 41 CB ILE A 16 -3.668 2.105 -9.186 1.00 0.12 C ATOM 42 CG1 ILE A 16 -3.151 0.882 -9.941 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.800 2.376 -7.967 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.565 -0.165 -9.041 1.00 0.12 C ATOM 0 H ILE A 16 -5.774 1.815 -10.738 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.182 1.146 -7.970 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.621 2.960 -9.860 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -3.969 0.444 -10.513 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.395 1.199 -10.659 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.765 2.515 -8.281 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.151 3.277 -7.464 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.861 1.531 -7.282 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.217 -1.006 -9.640 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.727 0.258 -8.488 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.325 -0.509 -8.340 1.00 0.12 H new ATOM 56 N PHE A 17 -5.449 3.415 -6.920 1.00 0.09 N ATOM 57 CA PHE A 17 -5.741 4.657 -6.237 1.00 0.09 C ATOM 58 C PHE A 17 -4.645 4.945 -5.225 1.00 0.07 C ATOM 59 O PHE A 17 -4.531 4.248 -4.229 1.00 0.07 O ATOM 60 CB PHE A 17 -7.095 4.553 -5.543 1.00 0.09 C ATOM 61 CG PHE A 17 -8.242 4.604 -6.499 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.707 5.819 -6.976 1.00 1.24 C ATOM 63 CD2 PHE A 17 -8.855 3.438 -6.921 1.00 1.11 C ATOM 64 CE1 PHE A 17 -9.766 5.870 -7.860 1.00 1.28 C ATOM 65 CE2 PHE A 17 -9.914 3.484 -7.801 1.00 1.09 C ATOM 66 CZ PHE A 17 -10.370 4.700 -8.273 1.00 0.22 C ATOM 0 H PHE A 17 -5.087 2.686 -6.305 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.780 5.474 -6.957 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.139 3.621 -4.980 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.192 5.365 -4.823 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -8.236 6.736 -6.653 1.00 1.24 H new ATOM 0 HD2 PHE A 17 -8.501 2.485 -6.558 1.00 1.11 H new ATOM 0 HE1 PHE A 17 -10.120 6.822 -8.227 1.00 1.28 H new ATOM 0 HE2 PHE A 17 -10.388 2.569 -8.122 1.00 1.09 H new ATOM 0 HZ PHE A 17 -11.199 4.735 -8.965 1.00 0.22 H new ATOM 76 N TYR A 18 -3.807 5.934 -5.497 1.00 0.07 N ATOM 77 CA TYR A 18 -2.712 6.253 -4.587 1.00 0.06 C ATOM 78 C TYR A 18 -3.182 7.147 -3.450 1.00 0.07 C ATOM 79 O TYR A 18 -3.946 8.090 -3.662 1.00 0.09 O ATOM 80 CB TYR A 18 -1.559 6.923 -5.329 1.00 0.06 C ATOM 81 CG TYR A 18 -1.086 6.142 -6.530 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.282 5.014 -6.388 1.00 1.15 C ATOM 83 CD2 TYR A 18 -1.457 6.528 -7.806 1.00 1.19 C ATOM 84 CE1 TYR A 18 0.143 4.298 -7.493 1.00 1.16 C ATOM 85 CE2 TYR A 18 -1.041 5.823 -8.911 1.00 1.20 C ATOM 86 CZ TYR A 18 -0.245 4.713 -8.755 1.00 0.09 C ATOM 87 OH TYR A 18 0.165 4.019 -9.865 1.00 0.10 O ATOM 0 H TYR A 18 -3.860 6.523 -6.328 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.358 5.312 -4.165 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.872 7.916 -5.651 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.724 7.059 -4.641 1.00 0.06 H new ATOM 0 HD1 TYR A 18 0.014 4.693 -5.400 1.00 1.15 H new ATOM 0 HD2 TYR A 18 -2.084 7.398 -7.936 1.00 1.19 H new ATOM 0 HE1 TYR A 18 0.769 3.427 -7.372 1.00 1.16 H new ATOM 0 HE2 TYR A 18 -1.339 6.141 -9.899 1.00 1.20 H new ATOM 0 HH TYR A 18 -0.417 3.242 -9.999 1.00 0.10 H new ATOM 97 N LEU A 19 -2.717 6.849 -2.240 1.00 0.07 N ATOM 98 CA LEU A 19 -3.034 7.657 -1.074 1.00 0.08 C ATOM 99 C LEU A 19 -1.741 8.134 -0.427 1.00 0.11 C ATOM 100 O LEU A 19 -1.400 7.704 0.672 1.00 0.12 O ATOM 101 CB LEU A 19 -3.829 6.867 -0.021 1.00 0.07 C ATOM 102 CG LEU A 19 -5.132 6.185 -0.462 1.00 0.07 C ATOM 103 CD1 LEU A 19 -6.023 7.134 -1.234 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.862 4.924 -1.258 1.00 0.08 C ATOM 0 H LEU A 19 -2.116 6.048 -2.044 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.643 8.494 -1.414 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.172 6.099 0.386 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.069 7.548 0.796 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.663 5.895 0.445 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -6.936 6.617 -1.530 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.277 7.987 -0.605 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.499 7.482 -2.124 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.808 4.470 -1.552 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.286 5.173 -2.149 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.297 4.221 -0.646 1.00 0.08 H new ATOM 116 N PRO A 20 -1.013 9.052 -1.073 1.00 0.13 N ATOM 117 CA PRO A 20 0.295 9.499 -0.583 1.00 0.16 C ATOM 118 C PRO A 20 0.180 10.483 0.570 1.00 0.22 C ATOM 119 O PRO A 20 1.164 11.091 0.987 1.00 0.28 O ATOM 120 CB PRO A 20 0.886 10.201 -1.793 1.00 0.16 C ATOM 121 CG PRO A 20 -0.298 10.754 -2.507 1.00 0.16 C ATOM 122 CD PRO A 20 -1.392 9.738 -2.326 1.00 0.13 C ATOM 0 HA PRO A 20 0.890 8.670 -0.200 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.578 10.990 -1.498 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.443 9.508 -2.423 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.588 11.720 -2.094 1.00 0.16 H new ATOM 0 HG3 PRO A 20 -0.080 10.911 -3.563 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.371 10.211 -2.246 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.440 9.045 -3.166 1.00 0.13 H new ATOM 130 N ASN A 21 -1.025 10.634 1.081 1.00 0.22 N ATOM 131 CA ASN A 21 -1.290 11.626 2.108 1.00 0.27 C ATOM 132 C ASN A 21 -1.456 10.959 3.452 1.00 0.25 C ATOM 133 O ASN A 21 -1.087 11.499 4.492 1.00 0.31 O ATOM 134 CB ASN A 21 -2.559 12.397 1.764 1.00 0.30 C ATOM 135 CG ASN A 21 -2.403 13.239 0.514 1.00 0.54 C ATOM 136 OD1 ASN A 21 -1.306 13.686 0.181 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.499 13.466 -0.185 1.00 0.35 N ATOM 0 H ASN A 21 -1.837 10.083 0.803 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.446 12.314 2.155 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -3.381 11.695 1.625 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -2.828 13.041 2.601 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -3.455 14.030 -1.034 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -4.390 13.078 0.124 1.00 0.35 H new ATOM 144 N LEU A 22 -1.984 9.759 3.397 1.00 0.18 N ATOM 145 CA LEU A 22 -2.392 9.037 4.583 1.00 0.17 C ATOM 146 C LEU A 22 -1.162 8.470 5.280 1.00 0.20 C ATOM 147 O LEU A 22 -0.391 7.733 4.674 1.00 0.35 O ATOM 148 CB LEU A 22 -3.365 7.929 4.153 1.00 0.14 C ATOM 149 CG LEU A 22 -4.446 8.414 3.176 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.489 7.346 2.888 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.104 9.669 3.706 1.00 0.11 C ATOM 0 H LEU A 22 -2.144 9.253 2.526 1.00 0.18 H new ATOM 0 HA LEU A 22 -2.896 9.694 5.292 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.801 7.121 3.688 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.846 7.514 5.039 1.00 0.14 H new ATOM 0 HG LEU A 22 -3.951 8.638 2.231 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.230 7.739 2.192 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -5.005 6.474 2.448 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -5.981 7.058 3.817 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -5.868 10.003 3.005 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.564 9.459 4.671 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.354 10.451 3.825 1.00 0.11 H new ATOM 163 N ASN A 23 -0.951 8.847 6.535 1.00 0.17 N ATOM 164 CA ASN A 23 0.221 8.380 7.264 1.00 0.20 C ATOM 165 C ASN A 23 0.124 6.882 7.482 1.00 0.24 C ATOM 166 O ASN A 23 -0.968 6.323 7.414 1.00 0.34 O ATOM 167 CB ASN A 23 0.405 9.128 8.597 1.00 0.33 C ATOM 168 CG ASN A 23 -0.575 8.732 9.682 1.00 0.66 C ATOM 169 OD1 ASN A 23 -1.683 9.250 9.749 1.00 1.47 O ATOM 170 ND2 ASN A 23 -0.152 7.854 10.575 1.00 0.99 N ATOM 0 H ASN A 23 -1.566 9.466 7.063 1.00 0.17 H new ATOM 0 HA ASN A 23 1.105 8.594 6.663 1.00 0.20 H new ATOM 0 HB2 ASN A 23 1.418 8.954 8.959 1.00 0.33 H new ATOM 0 HB3 ASN A 23 0.311 10.198 8.414 1.00 0.33 H new ATOM 0 HD21 ASN A 23 -0.755 7.587 11.353 1.00 0.99 H new ATOM 0 HD22 ASN A 23 0.778 7.444 10.486 1.00 0.99 H new ATOM 177 N PRO A 24 1.269 6.216 7.709 1.00 0.22 N ATOM 178 CA PRO A 24 1.350 4.758 7.846 1.00 0.23 C ATOM 179 C PRO A 24 0.193 4.144 8.630 1.00 0.23 C ATOM 180 O PRO A 24 -0.334 3.104 8.247 1.00 0.23 O ATOM 181 CB PRO A 24 2.663 4.583 8.603 1.00 0.25 C ATOM 182 CG PRO A 24 3.524 5.669 8.068 1.00 0.24 C ATOM 183 CD PRO A 24 2.603 6.839 7.827 1.00 0.22 C ATOM 0 HA PRO A 24 1.300 4.255 6.880 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.521 4.678 9.679 1.00 0.25 H new ATOM 0 HB3 PRO A 24 3.100 3.601 8.425 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.311 5.929 8.776 1.00 0.24 H new ATOM 0 HG3 PRO A 24 4.015 5.361 7.145 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.640 7.554 8.649 1.00 0.22 H new ATOM 0 HD3 PRO A 24 2.873 7.381 6.921 1.00 0.22 H new ATOM 191 N ASP A 25 -0.234 4.810 9.697 1.00 0.22 N ATOM 192 CA ASP A 25 -1.288 4.262 10.548 1.00 0.23 C ATOM 193 C ASP A 25 -2.617 4.251 9.809 1.00 0.24 C ATOM 194 O ASP A 25 -3.366 3.280 9.881 1.00 0.27 O ATOM 195 CB ASP A 25 -1.412 5.039 11.862 1.00 0.28 C ATOM 196 CG ASP A 25 -0.231 4.808 12.784 1.00 0.97 C ATOM 197 OD1 ASP A 25 -0.240 3.810 13.536 1.00 1.66 O ATOM 198 OD2 ASP A 25 0.720 5.621 12.753 1.00 1.67 O ATOM 0 H ASP A 25 0.126 5.718 9.992 1.00 0.22 H new ATOM 0 HA ASP A 25 -1.014 3.236 10.795 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -1.497 6.104 11.645 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -2.330 4.743 12.371 1.00 0.28 H new ATOM 203 N GLN A 26 -2.890 5.324 9.077 1.00 0.23 N ATOM 204 CA GLN A 26 -4.093 5.410 8.255 1.00 0.25 C ATOM 205 C GLN A 26 -4.006 4.413 7.115 1.00 0.25 C ATOM 206 O GLN A 26 -4.923 3.630 6.873 1.00 0.26 O ATOM 207 CB GLN A 26 -4.207 6.803 7.662 1.00 0.26 C ATOM 208 CG GLN A 26 -4.044 7.904 8.677 1.00 0.29 C ATOM 209 CD GLN A 26 -5.302 8.154 9.478 1.00 0.31 C ATOM 210 OE1 GLN A 26 -5.513 7.562 10.533 1.00 0.59 O ATOM 211 NE2 GLN A 26 -6.147 9.035 8.974 1.00 0.21 N ATOM 0 H GLN A 26 -2.293 6.150 9.035 1.00 0.23 H new ATOM 0 HA GLN A 26 -4.961 5.193 8.878 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.452 6.921 6.885 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.179 6.905 7.180 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -3.231 7.648 9.356 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.755 8.823 8.166 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -5.931 9.503 8.094 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -7.016 9.247 9.465 1.00 0.21 H new ATOM 220 N LEU A 27 -2.880 4.471 6.421 1.00 0.24 N ATOM 221 CA LEU A 27 -2.614 3.614 5.274 1.00 0.25 C ATOM 222 C LEU A 27 -2.731 2.133 5.652 1.00 0.23 C ATOM 223 O LEU A 27 -3.322 1.341 4.918 1.00 0.25 O ATOM 224 CB LEU A 27 -1.219 3.943 4.721 1.00 0.28 C ATOM 225 CG LEU A 27 -1.094 4.051 3.203 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.434 3.886 2.500 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.484 5.386 2.855 1.00 0.23 C ATOM 0 H LEU A 27 -2.121 5.117 6.638 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.359 3.802 4.500 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.893 4.887 5.158 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.526 3.176 5.066 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.453 3.240 2.857 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.292 3.971 1.423 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.850 2.906 2.735 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.120 4.662 2.838 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.391 5.472 1.772 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -1.122 6.186 3.229 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.503 5.465 3.312 1.00 0.23 H new ATOM 239 N CYS A 28 -2.186 1.773 6.809 1.00 0.21 N ATOM 240 CA CYS A 28 -2.296 0.411 7.326 1.00 0.22 C ATOM 241 C CYS A 28 -3.742 0.086 7.681 1.00 0.21 C ATOM 242 O CYS A 28 -4.238 -1.004 7.383 1.00 0.22 O ATOM 243 CB CYS A 28 -1.410 0.237 8.563 1.00 0.26 C ATOM 244 SG CYS A 28 -1.403 -1.451 9.255 1.00 0.32 S ATOM 0 H CYS A 28 -1.661 2.408 7.410 1.00 0.21 H new ATOM 0 HA CYS A 28 -1.962 -0.275 6.548 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.388 0.515 8.305 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.744 0.931 9.334 1.00 0.26 H new ATOM 249 N ALA A 29 -4.415 1.051 8.300 1.00 0.21 N ATOM 250 CA ALA A 29 -5.783 0.867 8.768 1.00 0.22 C ATOM 251 C ALA A 29 -6.725 0.535 7.622 1.00 0.17 C ATOM 252 O ALA A 29 -7.696 -0.199 7.811 1.00 0.18 O ATOM 253 CB ALA A 29 -6.270 2.106 9.498 1.00 0.24 C ATOM 0 H ALA A 29 -4.030 1.976 8.490 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.781 0.024 9.460 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -7.293 1.949 9.839 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.627 2.299 10.356 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -6.240 2.961 8.823 1.00 0.24 H new ATOM 259 N PHE A 30 -6.435 1.068 6.436 1.00 0.13 N ATOM 260 CA PHE A 30 -7.283 0.817 5.284 1.00 0.10 C ATOM 261 C PHE A 30 -7.380 -0.680 5.011 1.00 0.09 C ATOM 262 O PHE A 30 -8.465 -1.245 5.102 1.00 0.09 O ATOM 263 CB PHE A 30 -6.748 1.585 4.048 1.00 0.10 C ATOM 264 CG PHE A 30 -7.184 1.051 2.693 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.385 0.376 2.527 1.00 1.16 C ATOM 266 CD2 PHE A 30 -6.368 1.212 1.582 1.00 1.18 C ATOM 267 CE1 PHE A 30 -8.757 -0.126 1.296 1.00 1.15 C ATOM 268 CE2 PHE A 30 -6.743 0.713 0.350 1.00 1.18 C ATOM 269 CZ PHE A 30 -7.934 0.044 0.210 1.00 0.06 C ATOM 0 H PHE A 30 -5.630 1.667 6.254 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.288 1.181 5.497 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -7.065 2.625 4.126 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.659 1.580 4.085 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -9.040 0.241 3.375 1.00 1.16 H new ATOM 0 HD2 PHE A 30 -5.428 1.734 1.682 1.00 1.18 H new ATOM 0 HE1 PHE A 30 -9.694 -0.652 1.187 1.00 1.15 H new ATOM 0 HE2 PHE A 30 -6.098 0.849 -0.505 1.00 1.18 H new ATOM 0 HZ PHE A 30 -8.223 -0.348 -0.754 1.00 0.06 H new ATOM 279 N PHE A 31 -6.253 -1.344 4.783 1.00 0.10 N ATOM 280 CA PHE A 31 -6.298 -2.751 4.400 1.00 0.10 C ATOM 281 C PHE A 31 -6.582 -3.627 5.606 1.00 0.11 C ATOM 282 O PHE A 31 -6.997 -4.766 5.460 1.00 0.12 O ATOM 283 CB PHE A 31 -5.005 -3.223 3.741 1.00 0.11 C ATOM 284 CG PHE A 31 -4.512 -2.369 2.604 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.699 -1.270 2.837 1.00 0.94 C ATOM 286 CD2 PHE A 31 -4.844 -2.686 1.297 1.00 0.98 C ATOM 287 CE1 PHE A 31 -3.235 -0.499 1.785 1.00 0.94 C ATOM 288 CE2 PHE A 31 -4.378 -1.922 0.243 1.00 0.98 C ATOM 289 CZ PHE A 31 -3.573 -0.828 0.486 1.00 0.12 C ATOM 0 H PHE A 31 -5.318 -0.944 4.854 1.00 0.10 H new ATOM 0 HA PHE A 31 -7.103 -2.842 3.671 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.226 -3.271 4.502 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -5.154 -4.238 3.373 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.425 -1.013 3.850 1.00 0.94 H new ATOM 0 HD2 PHE A 31 -5.474 -3.540 1.099 1.00 0.98 H new ATOM 0 HE1 PHE A 31 -2.609 0.359 1.979 1.00 0.94 H new ATOM 0 HE2 PHE A 31 -4.644 -2.182 -0.771 1.00 0.98 H new ATOM 0 HZ PHE A 31 -3.208 -0.231 -0.336 1.00 0.12 H new ATOM 299 N HIS A 32 -6.335 -3.103 6.796 1.00 0.11 N ATOM 300 CA HIS A 32 -6.544 -3.869 8.021 1.00 0.12 C ATOM 301 C HIS A 32 -8.015 -4.251 8.156 1.00 0.12 C ATOM 302 O HIS A 32 -8.345 -5.357 8.578 1.00 0.15 O ATOM 303 CB HIS A 32 -6.081 -3.071 9.245 1.00 0.15 C ATOM 304 CG HIS A 32 -6.151 -3.847 10.526 1.00 0.23 C ATOM 305 ND1 HIS A 32 -6.815 -3.396 11.644 1.00 1.09 N ATOM 306 CD2 HIS A 32 -5.631 -5.052 10.860 1.00 1.05 C ATOM 307 CE1 HIS A 32 -6.701 -4.288 12.609 1.00 0.81 C ATOM 308 NE2 HIS A 32 -5.989 -5.304 12.160 1.00 0.65 N ATOM 0 H HIS A 32 -5.991 -2.154 6.943 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.949 -4.781 7.966 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -5.055 -2.739 9.086 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.695 -2.175 9.338 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -5.044 -5.695 10.221 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -7.120 -4.201 13.601 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -5.745 -6.139 12.692 1.00 0.65 H new ATOM 317 N SER A 33 -8.885 -3.327 7.781 1.00 0.11 N ATOM 318 CA SER A 33 -10.317 -3.572 7.780 1.00 0.13 C ATOM 319 C SER A 33 -10.674 -4.454 6.596 1.00 0.12 C ATOM 320 O SER A 33 -11.482 -5.379 6.693 1.00 0.14 O ATOM 321 CB SER A 33 -11.075 -2.244 7.691 1.00 0.15 C ATOM 322 OG SER A 33 -10.697 -1.372 8.745 1.00 0.22 O ATOM 0 H SER A 33 -8.620 -2.392 7.471 1.00 0.11 H new ATOM 0 HA SER A 33 -10.600 -4.075 8.705 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.873 -1.769 6.731 1.00 0.15 H new ATOM 0 HB3 SER A 33 -12.148 -2.430 7.735 1.00 0.15 H new ATOM 0 HG SER A 33 -9.841 -0.947 8.527 1.00 0.22 H new ATOM 328 N VAL A 34 -10.038 -4.133 5.482 1.00 0.10 N ATOM 329 CA VAL A 34 -10.243 -4.821 4.219 1.00 0.11 C ATOM 330 C VAL A 34 -9.905 -6.296 4.307 1.00 0.13 C ATOM 331 O VAL A 34 -10.700 -7.147 3.949 1.00 0.15 O ATOM 332 CB VAL A 34 -9.363 -4.219 3.114 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.634 -4.892 1.810 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.568 -2.741 2.972 1.00 0.08 C ATOM 0 H VAL A 34 -9.355 -3.377 5.429 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.301 -4.700 3.985 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.325 -4.385 3.404 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -9.003 -4.454 1.037 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.416 -5.956 1.898 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.682 -4.758 1.542 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.925 -2.359 2.179 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.610 -2.540 2.723 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.318 -2.247 3.911 1.00 0.08 H new ATOM 344 N HIS A 35 -8.711 -6.585 4.760 1.00 0.14 N ATOM 345 CA HIS A 35 -8.210 -7.950 4.756 1.00 0.17 C ATOM 346 C HIS A 35 -8.991 -8.827 5.721 1.00 0.18 C ATOM 347 O HIS A 35 -9.141 -10.028 5.500 1.00 0.21 O ATOM 348 CB HIS A 35 -6.718 -7.957 5.074 1.00 0.20 C ATOM 349 CG HIS A 35 -6.067 -9.303 4.979 1.00 0.36 C ATOM 350 ND1 HIS A 35 -5.787 -10.080 6.078 1.00 1.40 N ATOM 351 CD2 HIS A 35 -5.619 -9.997 3.907 1.00 0.85 C ATOM 352 CE1 HIS A 35 -5.195 -11.192 5.690 1.00 1.25 C ATOM 353 NE2 HIS A 35 -5.081 -11.168 4.377 1.00 0.55 N ATOM 0 H HIS A 35 -8.061 -5.896 5.139 1.00 0.14 H new ATOM 0 HA HIS A 35 -8.351 -8.370 3.760 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -6.211 -7.274 4.392 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.573 -7.568 6.082 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -5.675 -9.687 2.874 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -4.860 -11.988 6.338 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -4.661 -11.900 3.804 1.00 0.55 H new ATOM 362 N ASP A 36 -9.491 -8.222 6.781 1.00 0.17 N ATOM 363 CA ASP A 36 -10.344 -8.921 7.732 1.00 0.18 C ATOM 364 C ASP A 36 -11.651 -9.353 7.067 1.00 0.19 C ATOM 365 O ASP A 36 -12.271 -10.340 7.467 1.00 0.21 O ATOM 366 CB ASP A 36 -10.623 -8.026 8.943 1.00 0.20 C ATOM 367 CG ASP A 36 -11.574 -8.660 9.938 1.00 0.65 C ATOM 368 OD1 ASP A 36 -11.156 -9.591 10.659 1.00 1.51 O ATOM 369 OD2 ASP A 36 -12.741 -8.221 10.012 1.00 1.26 O ATOM 0 H ASP A 36 -9.322 -7.242 7.009 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.826 -9.818 8.073 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -9.682 -7.796 9.443 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -11.041 -7.080 8.600 1.00 0.20 H new ATOM 374 N ASP A 37 -12.032 -8.629 6.024 1.00 0.19 N ATOM 375 CA ASP A 37 -13.322 -8.827 5.359 1.00 0.24 C ATOM 376 C ASP A 37 -13.333 -8.082 4.029 1.00 0.23 C ATOM 377 O ASP A 37 -13.746 -6.930 3.953 1.00 0.25 O ATOM 378 CB ASP A 37 -14.468 -8.332 6.252 1.00 0.31 C ATOM 379 CG ASP A 37 -15.829 -8.448 5.592 1.00 0.53 C ATOM 380 OD1 ASP A 37 -16.260 -9.583 5.295 1.00 1.18 O ATOM 381 OD2 ASP A 37 -16.483 -7.404 5.383 1.00 1.28 O ATOM 0 H ASP A 37 -11.462 -7.890 5.613 1.00 0.19 H new ATOM 0 HA ASP A 37 -13.465 -9.892 5.175 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -14.471 -8.904 7.180 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.288 -7.291 6.520 1.00 0.31 H new ATOM 386 N PRO A 38 -12.858 -8.726 2.955 1.00 0.23 N ATOM 387 CA PRO A 38 -12.640 -8.068 1.656 1.00 0.25 C ATOM 388 C PRO A 38 -13.934 -7.634 0.965 1.00 0.29 C ATOM 389 O PRO A 38 -13.903 -7.075 -0.129 1.00 0.34 O ATOM 390 CB PRO A 38 -11.912 -9.139 0.830 1.00 0.28 C ATOM 391 CG PRO A 38 -11.434 -10.140 1.827 1.00 0.28 C ATOM 392 CD PRO A 38 -12.464 -10.138 2.913 1.00 0.26 C ATOM 0 HA PRO A 38 -12.079 -7.140 1.772 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.581 -9.597 0.101 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -11.080 -8.709 0.273 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -11.338 -11.128 1.377 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -10.452 -9.870 2.216 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -13.306 -10.790 2.679 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -12.054 -10.476 3.865 1.00 0.26 H new ATOM 400 N SER A 39 -15.064 -7.870 1.612 1.00 0.28 N ATOM 401 CA SER A 39 -16.355 -7.476 1.070 1.00 0.33 C ATOM 402 C SER A 39 -16.569 -5.963 1.199 1.00 0.36 C ATOM 403 O SER A 39 -17.408 -5.382 0.511 1.00 0.59 O ATOM 404 CB SER A 39 -17.460 -8.235 1.798 1.00 0.34 C ATOM 405 OG SER A 39 -17.181 -9.628 1.816 1.00 1.19 O ATOM 0 H SER A 39 -15.113 -8.335 2.518 1.00 0.28 H new ATOM 0 HA SER A 39 -16.382 -7.724 0.009 1.00 0.33 H new ATOM 0 HB2 SER A 39 -17.552 -7.864 2.819 1.00 0.34 H new ATOM 0 HB3 SER A 39 -18.416 -8.056 1.306 1.00 0.34 H new ATOM 0 HG SER A 39 -17.899 -10.099 2.288 1.00 1.19 H new ATOM 411 N GLN A 40 -15.795 -5.329 2.075 1.00 0.22 N ATOM 412 CA GLN A 40 -15.906 -3.889 2.304 1.00 0.21 C ATOM 413 C GLN A 40 -14.744 -3.125 1.677 1.00 0.16 C ATOM 414 O GLN A 40 -14.666 -1.910 1.785 1.00 0.16 O ATOM 415 CB GLN A 40 -15.958 -3.603 3.795 1.00 0.23 C ATOM 416 CG GLN A 40 -14.965 -4.424 4.574 1.00 0.21 C ATOM 417 CD GLN A 40 -15.045 -4.174 6.040 1.00 0.67 C ATOM 418 OE1 GLN A 40 -14.474 -3.235 6.592 1.00 1.09 O ATOM 419 NE2 GLN A 40 -15.711 -5.078 6.661 1.00 0.97 N ATOM 0 H GLN A 40 -15.082 -5.790 2.640 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.827 -3.550 1.830 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.763 -2.544 3.966 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.963 -3.806 4.166 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -15.140 -5.482 4.379 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -13.958 -4.198 4.224 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -16.160 -5.830 6.138 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -15.791 -5.045 7.677 1.00 0.97 H new ATOM 428 N SER A 41 -13.858 -3.860 1.035 1.00 0.15 N ATOM 429 CA SER A 41 -12.676 -3.335 0.376 1.00 0.13 C ATOM 430 C SER A 41 -12.969 -2.091 -0.463 1.00 0.11 C ATOM 431 O SER A 41 -12.301 -1.079 -0.303 1.00 0.11 O ATOM 432 CB SER A 41 -12.084 -4.439 -0.493 1.00 0.18 C ATOM 433 OG SER A 41 -13.027 -4.904 -1.443 1.00 0.82 O ATOM 0 H SER A 41 -13.943 -4.873 0.954 1.00 0.15 H new ATOM 0 HA SER A 41 -11.965 -3.022 1.141 1.00 0.13 H new ATOM 0 HB2 SER A 41 -11.199 -4.065 -1.008 1.00 0.18 H new ATOM 0 HB3 SER A 41 -11.760 -5.267 0.137 1.00 0.18 H new ATOM 0 HG SER A 41 -13.276 -5.828 -1.232 1.00 0.82 H new ATOM 439 N ALA A 42 -13.969 -2.163 -1.340 1.00 0.13 N ATOM 440 CA ALA A 42 -14.332 -1.027 -2.189 1.00 0.13 C ATOM 441 C ALA A 42 -14.710 0.186 -1.344 1.00 0.12 C ATOM 442 O ALA A 42 -14.330 1.315 -1.645 1.00 0.12 O ATOM 443 CB ALA A 42 -15.480 -1.403 -3.112 1.00 0.18 C ATOM 0 H ALA A 42 -14.542 -2.995 -1.482 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.464 -0.765 -2.794 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.739 -0.549 -3.737 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -15.179 -2.238 -3.745 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -16.346 -1.692 -2.516 1.00 0.18 H new ATOM 449 N ASN A 43 -15.436 -0.076 -0.267 1.00 0.12 N ATOM 450 CA ASN A 43 -15.861 0.964 0.670 1.00 0.13 C ATOM 451 C ASN A 43 -14.656 1.531 1.374 1.00 0.10 C ATOM 452 O ASN A 43 -14.543 2.727 1.614 1.00 0.11 O ATOM 453 CB ASN A 43 -16.776 0.380 1.746 1.00 0.16 C ATOM 454 CG ASN A 43 -18.036 -0.238 1.194 1.00 0.18 C ATOM 455 OD1 ASN A 43 -19.046 0.436 1.006 1.00 0.20 O ATOM 456 ND2 ASN A 43 -17.989 -1.534 0.951 1.00 0.20 N ATOM 0 H ASN A 43 -15.749 -1.013 -0.015 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.387 1.731 0.102 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.227 -0.375 2.308 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -17.045 1.168 2.449 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -18.813 -2.016 0.592 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -17.128 -2.054 1.122 1.00 0.20 H new ATOM 463 N LEU A 44 -13.771 0.631 1.716 1.00 0.09 N ATOM 464 CA LEU A 44 -12.621 0.940 2.520 1.00 0.08 C ATOM 465 C LEU A 44 -11.643 1.764 1.717 1.00 0.07 C ATOM 466 O LEU A 44 -11.088 2.761 2.175 1.00 0.08 O ATOM 467 CB LEU A 44 -11.986 -0.362 2.982 1.00 0.08 C ATOM 468 CG LEU A 44 -12.348 -0.798 4.396 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.618 -0.125 4.894 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.513 -2.291 4.400 1.00 0.12 C ATOM 0 H LEU A 44 -13.831 -0.349 1.440 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.915 1.523 3.393 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.275 -1.153 2.290 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.903 -0.262 2.917 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.548 -0.498 5.073 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.838 -0.466 5.906 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.480 0.956 4.897 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.448 -0.383 4.236 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.773 -2.626 5.404 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.307 -2.571 3.707 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.579 -2.761 4.091 1.00 0.12 H new ATOM 482 N LEU A 45 -11.457 1.292 0.509 1.00 0.07 N ATOM 483 CA LEU A 45 -10.679 1.951 -0.515 1.00 0.07 C ATOM 484 C LEU A 45 -11.266 3.345 -0.742 1.00 0.07 C ATOM 485 O LEU A 45 -10.545 4.330 -0.817 1.00 0.08 O ATOM 486 CB LEU A 45 -10.813 1.060 -1.743 1.00 0.07 C ATOM 487 CG LEU A 45 -9.921 1.310 -2.960 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.782 1.216 -4.191 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.160 2.629 -2.903 1.00 0.08 C ATOM 0 H LEU A 45 -11.857 0.406 0.199 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.628 2.086 -0.259 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.644 0.033 -1.420 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.848 1.122 -2.079 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.141 0.549 -2.978 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.171 1.390 -5.077 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.228 0.223 -4.248 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.571 1.966 -4.141 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.549 2.736 -3.800 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.868 3.456 -2.846 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.517 2.640 -2.023 1.00 0.08 H new ATOM 501 N ALA A 46 -12.588 3.401 -0.828 1.00 0.08 N ATOM 502 CA ALA A 46 -13.322 4.655 -0.925 1.00 0.09 C ATOM 503 C ALA A 46 -12.944 5.629 0.180 1.00 0.09 C ATOM 504 O ALA A 46 -12.625 6.772 -0.095 1.00 0.11 O ATOM 505 CB ALA A 46 -14.798 4.361 -0.866 1.00 0.10 C ATOM 0 H ALA A 46 -13.184 2.574 -0.832 1.00 0.08 H new ATOM 0 HA ALA A 46 -13.063 5.128 -1.872 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.358 5.293 -0.938 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -15.072 3.708 -1.695 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -15.033 3.868 0.077 1.00 0.10 H new ATOM 511 N GLU A 47 -12.976 5.164 1.420 1.00 0.09 N ATOM 512 CA GLU A 47 -12.646 5.974 2.571 1.00 0.10 C ATOM 513 C GLU A 47 -11.173 6.307 2.568 1.00 0.09 C ATOM 514 O GLU A 47 -10.766 7.316 3.114 1.00 0.09 O ATOM 515 CB GLU A 47 -13.040 5.250 3.852 1.00 0.11 C ATOM 516 CG GLU A 47 -14.496 4.825 3.860 1.00 0.16 C ATOM 517 CD GLU A 47 -15.076 4.771 5.251 1.00 0.31 C ATOM 518 OE1 GLU A 47 -15.097 5.822 5.925 1.00 1.13 O ATOM 519 OE2 GLU A 47 -15.512 3.680 5.680 1.00 1.19 O ATOM 0 H GLU A 47 -13.235 4.205 1.652 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.206 6.908 2.522 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.408 4.370 3.976 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.851 5.901 4.705 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -15.077 5.521 3.255 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.587 3.844 3.394 1.00 0.16 H new ATOM 526 N ALA A 48 -10.382 5.447 1.951 1.00 0.08 N ATOM 527 CA ALA A 48 -8.974 5.726 1.736 1.00 0.08 C ATOM 528 C ALA A 48 -8.833 6.874 0.747 1.00 0.08 C ATOM 529 O ALA A 48 -8.061 7.807 0.960 1.00 0.08 O ATOM 530 CB ALA A 48 -8.270 4.484 1.217 1.00 0.08 C ATOM 0 H ALA A 48 -10.693 4.546 1.589 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.511 6.012 2.680 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.214 4.704 1.059 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.368 3.679 1.945 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.722 4.177 0.274 1.00 0.08 H new ATOM 536 N LYS A 49 -9.636 6.811 -0.310 1.00 0.08 N ATOM 537 CA LYS A 49 -9.652 7.826 -1.356 1.00 0.09 C ATOM 538 C LYS A 49 -10.152 9.120 -0.752 1.00 0.10 C ATOM 539 O LYS A 49 -9.553 10.185 -0.875 1.00 0.13 O ATOM 540 CB LYS A 49 -10.618 7.398 -2.467 1.00 0.09 C ATOM 541 CG LYS A 49 -10.216 6.166 -3.252 1.00 0.09 C ATOM 542 CD LYS A 49 -11.461 5.390 -3.651 1.00 0.09 C ATOM 543 CE LYS A 49 -11.294 4.648 -4.953 1.00 0.10 C ATOM 544 NZ LYS A 49 -12.596 4.150 -5.479 1.00 0.71 N ATOM 0 H LYS A 49 -10.297 6.050 -0.465 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.651 7.953 -1.769 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.597 7.219 -2.022 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.732 8.229 -3.164 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.655 6.455 -4.140 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.560 5.537 -2.651 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.709 4.680 -2.862 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.301 6.079 -3.736 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.833 5.306 -5.689 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -10.616 3.807 -4.807 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -12.438 3.646 -6.375 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -13.025 3.502 -4.788 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -13.235 4.954 -5.642 1.00 0.71 H new ATOM 558 N LYS A 50 -11.258 8.955 -0.071 1.00 0.11 N ATOM 559 CA LYS A 50 -11.958 9.994 0.636 1.00 0.12 C ATOM 560 C LYS A 50 -11.071 10.633 1.687 1.00 0.12 C ATOM 561 O LYS A 50 -11.095 11.839 1.871 1.00 0.15 O ATOM 562 CB LYS A 50 -13.185 9.345 1.260 1.00 0.14 C ATOM 563 CG LYS A 50 -13.572 9.923 2.605 1.00 0.17 C ATOM 564 CD LYS A 50 -14.638 9.085 3.296 1.00 0.27 C ATOM 565 CE LYS A 50 -14.626 9.301 4.798 1.00 1.06 C ATOM 566 NZ LYS A 50 -15.647 8.471 5.493 1.00 1.19 N ATOM 0 H LYS A 50 -11.716 8.047 0.008 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.251 10.798 -0.040 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -14.027 9.450 0.575 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -12.999 8.277 1.375 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.689 9.985 3.241 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -13.940 10.940 2.471 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -15.620 9.342 2.898 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -14.472 8.030 3.077 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -13.637 9.062 5.190 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -14.808 10.354 5.013 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -15.661 8.713 6.504 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -16.584 8.655 5.080 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -15.411 7.464 5.381 1.00 1.19 H new ATOM 580 N LEU A 51 -10.300 9.810 2.367 1.00 0.11 N ATOM 581 CA LEU A 51 -9.352 10.278 3.361 1.00 0.12 C ATOM 582 C LEU A 51 -8.265 11.082 2.710 1.00 0.12 C ATOM 583 O LEU A 51 -7.938 12.187 3.133 1.00 0.13 O ATOM 584 CB LEU A 51 -8.719 9.101 4.052 1.00 0.11 C ATOM 585 CG LEU A 51 -7.972 9.425 5.324 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.848 10.240 6.254 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.519 8.129 5.964 1.00 0.12 C ATOM 0 H LEU A 51 -10.312 8.797 2.247 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.888 10.898 4.080 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.498 8.374 4.283 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -8.030 8.620 3.358 1.00 0.11 H new ATOM 0 HG LEU A 51 -7.093 10.030 5.103 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.297 10.467 7.167 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -9.134 11.170 5.762 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.744 9.670 6.502 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -6.978 8.348 6.884 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.388 7.512 6.192 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.864 7.593 5.277 1.00 0.12 H new ATOM 599 N ASN A 52 -7.709 10.488 1.679 1.00 0.11 N ATOM 600 CA ASN A 52 -6.696 11.129 0.854 1.00 0.11 C ATOM 601 C ASN A 52 -7.172 12.509 0.437 1.00 0.13 C ATOM 602 O ASN A 52 -6.408 13.460 0.422 1.00 0.15 O ATOM 603 CB ASN A 52 -6.421 10.260 -0.371 1.00 0.12 C ATOM 604 CG ASN A 52 -5.805 11.002 -1.535 1.00 0.16 C ATOM 605 OD1 ASN A 52 -6.506 11.512 -2.404 1.00 0.20 O ATOM 606 ND2 ASN A 52 -4.494 11.060 -1.562 1.00 0.19 N ATOM 0 H ASN A 52 -7.944 9.541 1.383 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.772 11.241 1.422 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.757 9.445 -0.082 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.357 9.807 -0.698 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -4.020 11.543 -2.326 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -3.949 10.622 -0.819 1.00 0.19 H new ATOM 613 N ASP A 53 -8.452 12.583 0.136 1.00 0.14 N ATOM 614 CA ASP A 53 -9.110 13.812 -0.287 1.00 0.17 C ATOM 615 C ASP A 53 -9.429 14.698 0.903 1.00 0.19 C ATOM 616 O ASP A 53 -9.397 15.925 0.810 1.00 0.22 O ATOM 617 CB ASP A 53 -10.395 13.497 -1.064 1.00 0.17 C ATOM 618 CG ASP A 53 -10.123 13.092 -2.499 1.00 0.71 C ATOM 619 OD1 ASP A 53 -9.391 13.821 -3.202 1.00 1.34 O ATOM 620 OD2 ASP A 53 -10.662 12.059 -2.947 1.00 1.53 O ATOM 0 H ASP A 53 -9.079 11.780 0.178 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.423 14.348 -0.942 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.933 12.694 -0.559 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -11.045 14.372 -1.054 1.00 0.17 H new ATOM 625 N ALA A 54 -9.741 14.055 2.018 1.00 0.18 N ATOM 626 CA ALA A 54 -10.178 14.732 3.219 1.00 0.21 C ATOM 627 C ALA A 54 -9.063 15.551 3.804 1.00 0.24 C ATOM 628 O ALA A 54 -9.254 16.695 4.220 1.00 0.28 O ATOM 629 CB ALA A 54 -10.630 13.709 4.242 1.00 0.20 C ATOM 0 H ALA A 54 -9.696 13.040 2.111 1.00 0.18 H new ATOM 0 HA ALA A 54 -11.004 15.394 2.960 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -10.959 14.220 5.147 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.456 13.126 3.834 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.801 13.044 4.482 1.00 0.20 H new ATOM 635 N GLN A 55 -7.887 14.964 3.830 1.00 0.22 N ATOM 636 CA GLN A 55 -6.766 15.634 4.464 1.00 0.25 C ATOM 637 C GLN A 55 -5.781 16.212 3.460 1.00 0.25 C ATOM 638 O GLN A 55 -5.139 17.212 3.767 1.00 0.28 O ATOM 639 CB GLN A 55 -6.042 14.659 5.379 1.00 0.25 C ATOM 640 CG GLN A 55 -5.730 13.337 4.710 1.00 0.20 C ATOM 641 CD GLN A 55 -4.660 12.564 5.443 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.473 12.751 5.199 1.00 0.22 O ATOM 643 NE2 GLN A 55 -5.074 11.676 6.323 1.00 0.17 N ATOM 0 H GLN A 55 -7.681 14.048 3.432 1.00 0.22 H new ATOM 0 HA GLN A 55 -7.172 16.468 5.036 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -5.113 15.114 5.722 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.653 14.477 6.263 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.638 12.736 4.657 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.407 13.518 3.685 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -6.072 11.554 6.494 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.396 11.110 6.834 1.00 0.17 H new ATOM 652 N ALA A 56 -5.738 15.613 2.259 1.00 0.24 N ATOM 653 CA ALA A 56 -4.771 15.936 1.183 1.00 0.25 C ATOM 654 C ALA A 56 -3.829 17.112 1.477 1.00 0.31 C ATOM 655 O ALA A 56 -4.013 18.219 0.968 1.00 0.35 O ATOM 656 CB ALA A 56 -5.510 16.160 -0.121 1.00 0.26 C ATOM 0 H ALA A 56 -6.388 14.872 1.997 1.00 0.24 H new ATOM 0 HA ALA A 56 -4.115 15.069 1.112 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.795 16.397 -0.909 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -6.058 15.257 -0.388 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.210 16.988 -0.005 1.00 0.26 H new ATOM 662 N PRO A 57 -2.809 16.869 2.316 1.00 0.35 N ATOM 663 CA PRO A 57 -1.746 17.838 2.598 1.00 0.42 C ATOM 664 C PRO A 57 -0.900 18.134 1.365 1.00 0.58 C ATOM 665 O PRO A 57 -0.642 17.248 0.543 1.00 0.80 O ATOM 666 CB PRO A 57 -0.892 17.136 3.662 1.00 0.47 C ATOM 667 CG PRO A 57 -1.192 15.687 3.487 1.00 0.46 C ATOM 668 CD PRO A 57 -2.633 15.632 3.081 1.00 0.39 C ATOM 0 HA PRO A 57 -2.148 18.799 2.918 1.00 0.42 H new ATOM 0 HB2 PRO A 57 0.169 17.342 3.518 1.00 0.47 H new ATOM 0 HB3 PRO A 57 -1.150 17.476 4.665 1.00 0.47 H new ATOM 0 HG2 PRO A 57 -0.551 15.241 2.727 1.00 0.46 H new ATOM 0 HG3 PRO A 57 -1.022 15.135 4.411 1.00 0.46 H new ATOM 0 HD2 PRO A 57 -2.849 14.750 2.477 1.00 0.39 H new ATOM 0 HD3 PRO A 57 -3.295 15.595 3.946 1.00 0.39 H new ATOM 676 N LYS A 58 -0.466 19.374 1.243 1.00 0.81 N ATOM 677 CA LYS A 58 0.345 19.786 0.116 1.00 1.03 C ATOM 678 C LYS A 58 1.337 20.845 0.563 1.00 1.48 C ATOM 679 O LYS A 58 2.498 20.487 0.852 1.00 1.97 O ATOM 680 CB LYS A 58 -0.547 20.321 -1.007 1.00 1.60 C ATOM 681 CG LYS A 58 0.199 20.625 -2.298 1.00 2.34 C ATOM 682 CD LYS A 58 -0.748 21.102 -3.387 1.00 3.15 C ATOM 683 CE LYS A 58 -1.796 20.050 -3.721 1.00 3.80 C ATOM 684 NZ LYS A 58 -2.741 20.524 -4.763 1.00 4.55 N ATOM 685 OXT LYS A 58 0.944 22.024 0.662 1.00 2.24 O ATOM 0 H LYS A 58 -0.663 20.116 1.915 1.00 0.81 H new ATOM 0 HA LYS A 58 0.896 18.927 -0.266 1.00 1.03 H new ATOM 0 HB2 LYS A 58 -1.329 19.591 -1.215 1.00 1.60 H new ATOM 0 HB3 LYS A 58 -1.042 21.229 -0.663 1.00 1.60 H new ATOM 0 HG2 LYS A 58 0.955 21.387 -2.112 1.00 2.34 H new ATOM 0 HG3 LYS A 58 0.724 19.731 -2.636 1.00 2.34 H new ATOM 0 HD2 LYS A 58 -1.242 22.018 -3.064 1.00 3.15 H new ATOM 0 HD3 LYS A 58 -0.178 21.346 -4.284 1.00 3.15 H new ATOM 0 HE2 LYS A 58 -1.302 19.141 -4.065 1.00 3.80 H new ATOM 0 HE3 LYS A 58 -2.350 19.790 -2.819 1.00 3.80 H new ATOM 0 HZ1 LYS A 58 -3.439 19.780 -4.963 1.00 4.55 H new ATOM 0 HZ2 LYS A 58 -3.231 21.377 -4.425 1.00 4.55 H new ATOM 0 HZ3 LYS A 58 -2.216 20.748 -5.632 1.00 4.55 H new TER 699 LYS A 58 ATOM 700 N ASP B 13 10.219 7.776 -14.143 1.00 1.37 N ATOM 701 CA ASP B 13 9.692 7.526 -12.782 1.00 0.51 C ATOM 702 C ASP B 13 8.365 6.792 -12.854 1.00 0.38 C ATOM 703 O ASP B 13 7.830 6.574 -13.943 1.00 0.51 O ATOM 704 CB ASP B 13 9.520 8.837 -12.014 1.00 1.11 C ATOM 705 CG ASP B 13 10.843 9.484 -11.672 1.00 1.60 C ATOM 706 OD1 ASP B 13 11.471 9.069 -10.680 1.00 2.19 O ATOM 707 OD2 ASP B 13 11.264 10.411 -12.396 1.00 2.32 O ATOM 0 HA ASP B 13 10.413 6.905 -12.251 1.00 0.51 H new ATOM 0 HB2 ASP B 13 8.924 9.528 -12.610 1.00 1.11 H new ATOM 0 HB3 ASP B 13 8.964 8.647 -11.096 1.00 1.11 H new ATOM 714 N GLY B 14 7.825 6.429 -11.697 1.00 0.21 N ATOM 715 CA GLY B 14 6.608 5.642 -11.667 1.00 0.21 C ATOM 716 C GLY B 14 6.827 4.193 -12.061 1.00 0.19 C ATOM 717 O GLY B 14 6.227 3.715 -13.023 1.00 0.28 O ATOM 0 H GLY B 14 8.207 6.665 -10.781 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.183 5.679 -10.664 1.00 0.21 H new ATOM 0 HA3 GLY B 14 5.877 6.089 -12.340 1.00 0.21 H new ATOM 721 N GLU B 15 7.691 3.489 -11.335 1.00 0.15 N ATOM 722 CA GLU B 15 7.858 2.058 -11.547 1.00 0.15 C ATOM 723 C GLU B 15 6.980 1.315 -10.547 1.00 0.14 C ATOM 724 O GLU B 15 7.348 1.163 -9.385 1.00 0.22 O ATOM 725 CB GLU B 15 9.324 1.632 -11.379 1.00 0.18 C ATOM 726 CG GLU B 15 10.327 2.716 -11.754 1.00 0.86 C ATOM 727 CD GLU B 15 11.763 2.231 -11.726 1.00 1.08 C ATOM 728 OE1 GLU B 15 12.185 1.637 -10.712 1.00 1.76 O ATOM 729 OE2 GLU B 15 12.484 2.447 -12.721 1.00 1.45 O ATOM 0 H GLU B 15 8.280 3.883 -10.602 1.00 0.15 H new ATOM 0 HA GLU B 15 7.563 1.814 -12.567 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.491 1.339 -10.342 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.509 0.751 -11.993 1.00 0.18 H new ATOM 0 HG2 GLU B 15 10.095 3.088 -12.752 1.00 0.86 H new ATOM 0 HG3 GLU B 15 10.220 3.556 -11.067 1.00 0.86 H new ATOM 736 N ILE B 16 5.817 0.869 -10.991 1.00 0.12 N ATOM 737 CA ILE B 16 4.843 0.261 -10.092 1.00 0.11 C ATOM 738 C ILE B 16 5.324 -1.087 -9.563 1.00 0.12 C ATOM 739 O ILE B 16 5.988 -1.853 -10.265 1.00 0.16 O ATOM 740 CB ILE B 16 3.468 0.087 -10.777 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.676 1.402 -10.731 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.683 -1.025 -10.099 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.879 1.594 -9.460 1.00 0.11 C ATOM 0 H ILE B 16 5.522 0.915 -11.966 1.00 0.12 H new ATOM 0 HA ILE B 16 4.732 0.945 -9.250 1.00 0.11 H new ATOM 0 HB ILE B 16 3.630 -0.183 -11.821 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.369 2.236 -10.843 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.997 1.435 -11.583 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.716 -1.139 -10.589 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.239 -1.960 -10.172 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.530 -0.775 -9.049 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.348 2.545 -9.504 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.160 0.781 -9.355 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.554 1.594 -8.604 1.00 0.11 H new ATOM 755 N PHE B 17 4.990 -1.352 -8.312 1.00 0.11 N ATOM 756 CA PHE B 17 5.319 -2.604 -7.668 1.00 0.11 C ATOM 757 C PHE B 17 4.160 -3.060 -6.793 1.00 0.11 C ATOM 758 O PHE B 17 3.601 -2.273 -6.031 1.00 0.11 O ATOM 759 CB PHE B 17 6.612 -2.447 -6.865 1.00 0.12 C ATOM 760 CG PHE B 17 6.673 -1.215 -6.001 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.219 -1.230 -4.687 1.00 1.11 C ATOM 762 CD2 PHE B 17 7.220 -0.045 -6.502 1.00 1.09 C ATOM 763 CE1 PHE B 17 6.307 -0.095 -3.899 1.00 1.11 C ATOM 764 CE2 PHE B 17 7.318 1.085 -5.721 1.00 1.10 C ATOM 765 CZ PHE B 17 6.862 1.067 -4.419 1.00 0.10 C ATOM 0 H PHE B 17 4.481 -0.700 -7.715 1.00 0.11 H new ATOM 0 HA PHE B 17 5.485 -3.374 -8.421 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.738 -3.325 -6.231 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.454 -2.430 -7.558 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.794 -2.135 -4.278 1.00 1.11 H new ATOM 0 HD2 PHE B 17 7.575 -0.019 -7.522 1.00 1.09 H new ATOM 0 HE1 PHE B 17 5.945 -0.113 -2.882 1.00 1.11 H new ATOM 0 HE2 PHE B 17 7.752 1.986 -6.128 1.00 1.10 H new ATOM 0 HZ PHE B 17 6.936 1.953 -3.806 1.00 0.10 H new ATOM 775 N TYR B 18 3.779 -4.319 -6.928 1.00 0.11 N ATOM 776 CA TYR B 18 2.634 -4.846 -6.214 1.00 0.10 C ATOM 777 C TYR B 18 3.078 -5.662 -5.019 1.00 0.09 C ATOM 778 O TYR B 18 4.066 -6.396 -5.080 1.00 0.09 O ATOM 779 CB TYR B 18 1.769 -5.705 -7.135 1.00 0.12 C ATOM 780 CG TYR B 18 1.055 -4.916 -8.206 1.00 0.09 C ATOM 781 CD1 TYR B 18 -0.069 -4.162 -7.900 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.499 -4.930 -9.518 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.733 -3.438 -8.869 1.00 1.20 C ATOM 784 CE2 TYR B 18 0.842 -4.212 -10.500 1.00 1.15 C ATOM 785 CZ TYR B 18 -0.274 -3.467 -10.172 1.00 0.12 C ATOM 786 OH TYR B 18 -0.932 -2.754 -11.152 1.00 0.18 O ATOM 0 H TYR B 18 4.250 -4.996 -7.529 1.00 0.11 H new ATOM 0 HA TYR B 18 2.041 -4.001 -5.863 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.397 -6.459 -7.609 1.00 0.12 H new ATOM 0 HB3 TYR B 18 1.031 -6.236 -6.534 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.431 -4.141 -6.883 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.372 -5.511 -9.778 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.604 -2.854 -8.611 1.00 1.20 H new ATOM 0 HE2 TYR B 18 1.200 -4.234 -11.519 1.00 1.15 H new ATOM 0 HH TYR B 18 -0.478 -2.883 -12.011 1.00 0.18 H new ATOM 796 N LEU B 19 2.349 -5.519 -3.928 1.00 0.13 N ATOM 797 CA LEU B 19 2.640 -6.251 -2.707 1.00 0.13 C ATOM 798 C LEU B 19 1.409 -7.064 -2.280 1.00 0.21 C ATOM 799 O LEU B 19 0.889 -6.876 -1.183 1.00 0.25 O ATOM 800 CB LEU B 19 3.037 -5.272 -1.582 1.00 0.12 C ATOM 801 CG LEU B 19 4.314 -4.417 -1.802 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.519 -5.314 -2.024 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.152 -3.430 -2.945 1.00 0.11 C ATOM 0 H LEU B 19 1.543 -4.897 -3.862 1.00 0.13 H new ATOM 0 HA LEU B 19 3.471 -6.931 -2.893 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.201 -4.593 -1.415 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.169 -5.847 -0.665 1.00 0.12 H new ATOM 0 HG LEU B 19 4.476 -3.830 -0.898 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.406 -4.700 -2.177 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.664 -5.951 -1.151 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.352 -5.936 -2.903 1.00 0.08 H new ATOM 0 HD21 LEU B 19 5.070 -2.854 -3.061 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.944 -3.972 -3.867 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.325 -2.754 -2.728 1.00 0.11 H new ATOM 815 N PRO B 20 0.938 -7.996 -3.138 1.00 0.23 N ATOM 816 CA PRO B 20 -0.307 -8.756 -2.900 1.00 0.29 C ATOM 817 C PRO B 20 -0.165 -9.818 -1.827 1.00 0.29 C ATOM 818 O PRO B 20 -1.101 -10.103 -1.082 1.00 0.33 O ATOM 819 CB PRO B 20 -0.551 -9.424 -4.254 1.00 0.33 C ATOM 820 CG PRO B 20 0.822 -9.632 -4.786 1.00 0.29 C ATOM 821 CD PRO B 20 1.561 -8.384 -4.419 1.00 0.23 C ATOM 0 HA PRO B 20 -1.112 -8.110 -2.549 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -1.088 -10.367 -4.146 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -1.146 -8.792 -4.913 1.00 0.33 H new ATOM 0 HG2 PRO B 20 1.289 -10.513 -4.346 1.00 0.29 H new ATOM 0 HG3 PRO B 20 0.810 -9.783 -5.865 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.630 -8.565 -4.310 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.445 -7.608 -5.176 1.00 0.23 H new ATOM 829 N ASN B 21 1.013 -10.396 -1.759 1.00 0.27 N ATOM 830 CA ASN B 21 1.264 -11.497 -0.858 1.00 0.28 C ATOM 831 C ASN B 21 1.581 -10.975 0.536 1.00 0.24 C ATOM 832 O ASN B 21 1.540 -11.713 1.522 1.00 0.28 O ATOM 833 CB ASN B 21 2.375 -12.377 -1.442 1.00 0.31 C ATOM 834 CG ASN B 21 3.434 -12.780 -0.448 1.00 0.32 C ATOM 835 OD1 ASN B 21 3.286 -13.751 0.286 1.00 0.41 O ATOM 836 ND2 ASN B 21 4.526 -12.045 -0.451 1.00 0.30 N ATOM 0 H ASN B 21 1.817 -10.119 -2.322 1.00 0.27 H new ATOM 0 HA ASN B 21 0.375 -12.119 -0.754 1.00 0.28 H new ATOM 0 HB2 ASN B 21 1.926 -13.277 -1.862 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.850 -11.843 -2.265 1.00 0.31 H new ATOM 0 HD21 ASN B 21 5.297 -12.274 0.177 1.00 0.30 H new ATOM 0 HD22 ASN B 21 4.601 -11.246 -1.081 1.00 0.30 H new ATOM 843 N LEU B 22 1.874 -9.689 0.618 1.00 0.19 N ATOM 844 CA LEU B 22 2.024 -9.044 1.899 1.00 0.16 C ATOM 845 C LEU B 22 0.684 -8.695 2.482 1.00 0.20 C ATOM 846 O LEU B 22 -0.222 -8.234 1.788 1.00 0.26 O ATOM 847 CB LEU B 22 2.891 -7.803 1.789 1.00 0.14 C ATOM 848 CG LEU B 22 4.321 -8.113 1.388 1.00 0.13 C ATOM 849 CD1 LEU B 22 5.241 -6.949 1.654 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.784 -9.336 2.134 1.00 0.14 C ATOM 0 H LEU B 22 2.011 -9.078 -0.187 1.00 0.19 H new ATOM 0 HA LEU B 22 2.520 -9.748 2.568 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.453 -7.124 1.057 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.893 -7.282 2.746 1.00 0.14 H new ATOM 0 HG LEU B 22 4.349 -8.301 0.315 1.00 0.13 H new ATOM 0 HD11 LEU B 22 6.255 -7.211 1.353 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.906 -6.083 1.084 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.228 -6.711 2.718 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.811 -9.567 1.852 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.735 -9.148 3.207 1.00 0.14 H new ATOM 0 HD23 LEU B 22 4.141 -10.180 1.884 1.00 0.14 H new ATOM 862 N ASN B 23 0.573 -8.925 3.766 1.00 0.21 N ATOM 863 CA ASN B 23 -0.645 -8.626 4.486 1.00 0.26 C ATOM 864 C ASN B 23 -0.547 -7.212 5.020 1.00 0.20 C ATOM 865 O ASN B 23 0.560 -6.677 5.087 1.00 0.15 O ATOM 866 CB ASN B 23 -0.852 -9.638 5.615 1.00 0.35 C ATOM 867 CG ASN B 23 -1.065 -11.040 5.082 1.00 0.56 C ATOM 868 OD1 ASN B 23 -2.197 -11.474 4.877 1.00 1.19 O ATOM 869 ND2 ASN B 23 0.019 -11.761 4.851 1.00 0.55 N ATOM 0 H ASN B 23 1.317 -9.322 4.341 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.508 -8.699 3.824 1.00 0.26 H new ATOM 0 HB2 ASN B 23 0.015 -9.628 6.275 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -1.713 -9.342 6.215 1.00 0.35 H new ATOM 0 HD21 ASN B 23 -0.068 -12.711 4.491 1.00 0.55 H new ATOM 0 HD22 ASN B 23 0.942 -11.367 5.033 1.00 0.55 H new ATOM 876 N PRO B 24 -1.677 -6.569 5.359 1.00 0.25 N ATOM 877 CA PRO B 24 -1.679 -5.214 5.915 1.00 0.22 C ATOM 878 C PRO B 24 -0.561 -5.005 6.928 1.00 0.18 C ATOM 879 O PRO B 24 0.180 -4.028 6.858 1.00 0.19 O ATOM 880 CB PRO B 24 -3.039 -5.128 6.598 1.00 0.27 C ATOM 881 CG PRO B 24 -3.923 -6.023 5.797 1.00 0.33 C ATOM 882 CD PRO B 24 -3.045 -7.100 5.212 1.00 0.37 C ATOM 0 HA PRO B 24 -1.516 -4.453 5.152 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.982 -5.454 7.636 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.414 -4.105 6.606 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -4.701 -6.458 6.424 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.425 -5.464 5.008 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -3.165 -8.044 5.743 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.289 -7.289 4.167 1.00 0.37 H new ATOM 890 N ASP B 25 -0.407 -5.975 7.817 1.00 0.20 N ATOM 891 CA ASP B 25 0.562 -5.890 8.906 1.00 0.24 C ATOM 892 C ASP B 25 1.993 -5.991 8.380 1.00 0.23 C ATOM 893 O ASP B 25 2.913 -5.410 8.945 1.00 0.28 O ATOM 894 CB ASP B 25 0.290 -6.984 9.939 1.00 0.34 C ATOM 895 CG ASP B 25 1.212 -6.904 11.140 1.00 0.98 C ATOM 896 OD1 ASP B 25 1.262 -5.838 11.792 1.00 1.49 O ATOM 897 OD2 ASP B 25 1.888 -7.909 11.439 1.00 1.76 O ATOM 0 H ASP B 25 -0.946 -6.841 7.807 1.00 0.20 H new ATOM 0 HA ASP B 25 0.452 -4.918 9.386 1.00 0.24 H new ATOM 0 HB2 ASP B 25 -0.744 -6.910 10.276 1.00 0.34 H new ATOM 0 HB3 ASP B 25 0.402 -7.959 9.466 1.00 0.34 H new ATOM 902 N GLN B 26 2.167 -6.713 7.282 1.00 0.19 N ATOM 903 CA GLN B 26 3.467 -6.873 6.652 1.00 0.20 C ATOM 904 C GLN B 26 3.881 -5.555 6.012 1.00 0.20 C ATOM 905 O GLN B 26 4.994 -5.065 6.197 1.00 0.24 O ATOM 906 CB GLN B 26 3.356 -7.984 5.608 1.00 0.25 C ATOM 907 CG GLN B 26 2.769 -9.273 6.174 1.00 0.31 C ATOM 908 CD GLN B 26 3.585 -9.857 7.312 1.00 0.29 C ATOM 909 OE1 GLN B 26 3.042 -10.472 8.227 1.00 0.48 O ATOM 910 NE2 GLN B 26 4.887 -9.682 7.251 1.00 0.28 N ATOM 0 H GLN B 26 1.411 -7.203 6.804 1.00 0.19 H new ATOM 0 HA GLN B 26 4.227 -7.145 7.384 1.00 0.20 H new ATOM 0 HB2 GLN B 26 2.734 -7.639 4.782 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.344 -8.190 5.198 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.756 -9.079 6.526 1.00 0.31 H new ATOM 0 HG3 GLN B 26 2.693 -10.011 5.375 1.00 0.31 H new ATOM 0 HE21 GLN B 26 5.296 -9.165 6.473 1.00 0.28 H new ATOM 0 HE22 GLN B 26 5.488 -10.064 7.982 1.00 0.28 H new ATOM 919 N LEU B 27 2.947 -4.998 5.273 1.00 0.16 N ATOM 920 CA LEU B 27 3.094 -3.697 4.631 1.00 0.17 C ATOM 921 C LEU B 27 3.307 -2.573 5.650 1.00 0.19 C ATOM 922 O LEU B 27 3.936 -1.563 5.333 1.00 0.21 O ATOM 923 CB LEU B 27 1.838 -3.407 3.810 1.00 0.16 C ATOM 924 CG LEU B 27 1.480 -4.478 2.781 1.00 0.14 C ATOM 925 CD1 LEU B 27 -0.003 -4.427 2.456 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.301 -4.291 1.515 1.00 0.13 C ATOM 0 H LEU B 27 2.045 -5.439 5.094 1.00 0.16 H new ATOM 0 HA LEU B 27 3.976 -3.732 3.991 1.00 0.17 H new ATOM 0 HB2 LEU B 27 0.997 -3.283 4.492 1.00 0.16 H new ATOM 0 HB3 LEU B 27 1.971 -2.457 3.293 1.00 0.16 H new ATOM 0 HG LEU B 27 1.710 -5.455 3.206 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.241 -5.196 1.722 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.581 -4.601 3.364 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.253 -3.447 2.049 1.00 0.15 H new ATOM 0 HD21 LEU B 27 2.035 -5.062 0.791 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.096 -3.308 1.090 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.362 -4.369 1.754 1.00 0.13 H new ATOM 938 N CYS B 28 2.783 -2.755 6.867 1.00 0.20 N ATOM 939 CA CYS B 28 2.861 -1.729 7.914 1.00 0.23 C ATOM 940 C CYS B 28 4.282 -1.209 8.106 1.00 0.23 C ATOM 941 O CYS B 28 4.503 -0.002 8.183 1.00 0.28 O ATOM 942 CB CYS B 28 2.330 -2.263 9.248 1.00 0.25 C ATOM 943 SG CYS B 28 0.520 -2.455 9.324 1.00 0.27 S ATOM 0 H CYS B 28 2.299 -3.606 7.152 1.00 0.20 H new ATOM 0 HA CYS B 28 2.237 -0.900 7.581 1.00 0.23 H new ATOM 0 HB2 CYS B 28 2.793 -3.229 9.447 1.00 0.25 H new ATOM 0 HB3 CYS B 28 2.644 -1.589 10.045 1.00 0.25 H new ATOM 948 N ALA B 29 5.240 -2.117 8.160 1.00 0.22 N ATOM 949 CA ALA B 29 6.628 -1.744 8.375 1.00 0.24 C ATOM 950 C ALA B 29 7.163 -0.935 7.207 1.00 0.21 C ATOM 951 O ALA B 29 7.883 0.049 7.397 1.00 0.25 O ATOM 952 CB ALA B 29 7.483 -2.977 8.565 1.00 0.26 C ATOM 0 H ALA B 29 5.083 -3.120 8.058 1.00 0.22 H new ATOM 0 HA ALA B 29 6.671 -1.131 9.275 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.519 -2.680 8.725 1.00 0.26 H new ATOM 0 HB2 ALA B 29 7.128 -3.536 9.431 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.418 -3.605 7.676 1.00 0.26 H new ATOM 958 N PHE B 30 6.805 -1.356 6.001 1.00 0.18 N ATOM 959 CA PHE B 30 7.328 -0.740 4.795 1.00 0.17 C ATOM 960 C PHE B 30 7.029 0.754 4.736 1.00 0.21 C ATOM 961 O PHE B 30 7.952 1.560 4.719 1.00 0.22 O ATOM 962 CB PHE B 30 6.729 -1.430 3.572 1.00 0.18 C ATOM 963 CG PHE B 30 7.168 -0.828 2.274 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.508 -0.601 2.031 1.00 1.13 C ATOM 965 CD2 PHE B 30 6.246 -0.502 1.292 1.00 1.07 C ATOM 966 CE1 PHE B 30 8.923 -0.062 0.838 1.00 1.13 C ATOM 967 CE2 PHE B 30 6.662 0.042 0.092 1.00 1.07 C ATOM 968 CZ PHE B 30 8.007 0.260 -0.131 1.00 0.13 C ATOM 0 H PHE B 30 6.153 -2.123 5.835 1.00 0.18 H new ATOM 0 HA PHE B 30 8.412 -0.858 4.805 1.00 0.17 H new ATOM 0 HB2 PHE B 30 7.006 -2.484 3.587 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.642 -1.385 3.635 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.238 -0.850 2.787 1.00 1.13 H new ATOM 0 HD2 PHE B 30 5.194 -0.675 1.466 1.00 1.07 H new ATOM 0 HE1 PHE B 30 9.975 0.109 0.662 1.00 1.13 H new ATOM 0 HE2 PHE B 30 5.938 0.296 -0.668 1.00 1.07 H new ATOM 0 HZ PHE B 30 8.338 0.684 -1.068 1.00 0.13 H new ATOM 978 N PHE B 31 5.760 1.134 4.793 1.00 0.26 N ATOM 979 CA PHE B 31 5.408 2.539 4.734 1.00 0.35 C ATOM 980 C PHE B 31 5.732 3.253 6.039 1.00 0.37 C ATOM 981 O PHE B 31 5.809 4.477 6.074 1.00 0.46 O ATOM 982 CB PHE B 31 3.945 2.761 4.322 1.00 0.65 C ATOM 983 CG PHE B 31 2.928 1.854 4.954 1.00 0.23 C ATOM 984 CD1 PHE B 31 2.704 1.869 6.315 1.00 1.13 C ATOM 985 CD2 PHE B 31 2.159 1.018 4.163 1.00 1.16 C ATOM 986 CE1 PHE B 31 1.736 1.065 6.880 1.00 1.45 C ATOM 987 CE2 PHE B 31 1.195 0.206 4.720 1.00 1.05 C ATOM 988 CZ PHE B 31 0.981 0.231 6.080 1.00 0.80 C ATOM 0 H PHE B 31 4.969 0.496 4.879 1.00 0.26 H new ATOM 0 HA PHE B 31 6.025 2.981 3.952 1.00 0.35 H new ATOM 0 HB2 PHE B 31 3.677 3.791 4.557 1.00 0.65 H new ATOM 0 HB3 PHE B 31 3.875 2.652 3.240 1.00 0.65 H new ATOM 0 HD1 PHE B 31 3.294 2.518 6.946 1.00 1.13 H new ATOM 0 HD2 PHE B 31 2.317 1.002 3.095 1.00 1.16 H new ATOM 0 HE1 PHE B 31 1.569 1.088 7.947 1.00 1.45 H new ATOM 0 HE2 PHE B 31 0.609 -0.448 4.092 1.00 1.05 H new ATOM 0 HZ PHE B 31 0.224 -0.401 6.520 1.00 0.80 H new ATOM 998 N HIS B 32 5.951 2.494 7.105 1.00 0.36 N ATOM 999 CA HIS B 32 6.378 3.092 8.362 1.00 0.43 C ATOM 1000 C HIS B 32 7.824 3.562 8.244 1.00 0.40 C ATOM 1001 O HIS B 32 8.144 4.682 8.617 1.00 0.47 O ATOM 1002 CB HIS B 32 6.237 2.104 9.526 1.00 0.47 C ATOM 1003 CG HIS B 32 6.522 2.722 10.863 1.00 0.71 C ATOM 1004 ND1 HIS B 32 7.575 2.341 11.666 1.00 1.37 N ATOM 1005 CD2 HIS B 32 5.877 3.705 11.534 1.00 1.43 C ATOM 1006 CE1 HIS B 32 7.563 3.062 12.772 1.00 1.77 C ATOM 1007 NE2 HIS B 32 6.544 3.897 12.715 1.00 1.70 N ATOM 0 H HIS B 32 5.842 1.480 7.126 1.00 0.36 H new ATOM 0 HA HIS B 32 5.734 3.946 8.570 1.00 0.43 H new ATOM 0 HB2 HIS B 32 5.226 1.698 9.529 1.00 0.47 H new ATOM 0 HB3 HIS B 32 6.916 1.267 9.368 1.00 0.47 H new ATOM 0 HD2 HIS B 32 4.999 4.239 11.200 1.00 1.43 H new ATOM 0 HE1 HIS B 32 8.268 2.982 13.586 1.00 1.77 H new ATOM 0 HE2 HIS B 32 6.293 4.576 13.434 1.00 1.70 H new ATOM 1016 N SER B 33 8.676 2.710 7.684 1.00 0.33 N ATOM 1017 CA SER B 33 10.082 3.046 7.453 1.00 0.33 C ATOM 1018 C SER B 33 10.216 4.057 6.316 1.00 0.28 C ATOM 1019 O SER B 33 11.105 4.897 6.311 1.00 0.30 O ATOM 1020 CB SER B 33 10.880 1.780 7.136 1.00 0.33 C ATOM 1021 OG SER B 33 10.775 0.827 8.185 1.00 0.77 O ATOM 0 H SER B 33 8.417 1.772 7.378 1.00 0.33 H new ATOM 0 HA SER B 33 10.483 3.498 8.360 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.517 1.342 6.206 1.00 0.33 H new ATOM 0 HB3 SER B 33 11.927 2.038 6.979 1.00 0.33 H new ATOM 0 HG SER B 33 9.896 0.396 8.148 1.00 0.77 H new ATOM 1027 N VAL B 34 9.329 3.932 5.353 1.00 0.22 N ATOM 1028 CA VAL B 34 9.305 4.765 4.163 1.00 0.20 C ATOM 1029 C VAL B 34 8.803 6.173 4.484 1.00 0.26 C ATOM 1030 O VAL B 34 9.310 7.148 3.947 1.00 0.27 O ATOM 1031 CB VAL B 34 8.415 4.110 3.078 1.00 0.19 C ATOM 1032 CG1 VAL B 34 7.992 5.082 2.004 1.00 0.18 C ATOM 1033 CG2 VAL B 34 9.121 2.939 2.432 1.00 0.20 C ATOM 0 H VAL B 34 8.586 3.233 5.373 1.00 0.22 H new ATOM 0 HA VAL B 34 10.324 4.852 3.785 1.00 0.20 H new ATOM 0 HB VAL B 34 7.519 3.765 3.594 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.371 4.567 1.271 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.424 5.896 2.454 1.00 0.18 H new ATOM 0 HG13 VAL B 34 8.876 5.486 1.510 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.474 2.497 1.674 1.00 0.20 H new ATOM 0 HG22 VAL B 34 10.044 3.283 1.966 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.354 2.192 3.190 1.00 0.20 H new ATOM 1043 N HIS B 35 7.807 6.284 5.358 1.00 0.32 N ATOM 1044 CA HIS B 35 7.349 7.597 5.790 1.00 0.41 C ATOM 1045 C HIS B 35 8.324 8.144 6.824 1.00 0.45 C ATOM 1046 O HIS B 35 8.561 9.350 6.895 1.00 0.51 O ATOM 1047 CB HIS B 35 5.932 7.528 6.365 1.00 0.48 C ATOM 1048 CG HIS B 35 5.271 8.867 6.518 1.00 0.66 C ATOM 1049 ND1 HIS B 35 4.277 9.315 5.673 1.00 1.60 N ATOM 1050 CD2 HIS B 35 5.454 9.851 7.430 1.00 0.88 C ATOM 1051 CE1 HIS B 35 3.884 10.514 6.056 1.00 1.50 C ATOM 1052 NE2 HIS B 35 4.581 10.861 7.121 1.00 0.80 N ATOM 0 H HIS B 35 7.311 5.496 5.774 1.00 0.32 H new ATOM 0 HA HIS B 35 7.316 8.265 4.929 1.00 0.41 H new ATOM 0 HB2 HIS B 35 5.318 6.903 5.717 1.00 0.48 H new ATOM 0 HB3 HIS B 35 5.969 7.039 7.338 1.00 0.48 H new ATOM 0 HD2 HIS B 35 6.158 9.842 8.249 1.00 0.88 H new ATOM 0 HE1 HIS B 35 3.121 11.111 5.579 1.00 1.50 H new ATOM 0 HE2 HIS B 35 4.486 11.739 7.632 1.00 0.80 H new ATOM 1061 N ASP B 36 8.883 7.239 7.624 1.00 0.44 N ATOM 1062 CA ASP B 36 9.955 7.590 8.545 1.00 0.50 C ATOM 1063 C ASP B 36 11.135 8.139 7.769 1.00 0.47 C ATOM 1064 O ASP B 36 11.662 9.203 8.098 1.00 0.52 O ATOM 1065 CB ASP B 36 10.403 6.378 9.366 1.00 0.55 C ATOM 1066 CG ASP B 36 11.642 6.654 10.195 1.00 0.79 C ATOM 1067 OD1 ASP B 36 11.516 7.245 11.286 1.00 1.59 O ATOM 1068 OD2 ASP B 36 12.750 6.276 9.762 1.00 1.29 O ATOM 0 H ASP B 36 8.609 6.257 7.651 1.00 0.44 H new ATOM 0 HA ASP B 36 9.576 8.347 9.232 1.00 0.50 H new ATOM 0 HB2 ASP B 36 9.591 6.072 10.026 1.00 0.55 H new ATOM 0 HB3 ASP B 36 10.600 5.543 8.694 1.00 0.55 H new ATOM 1073 N ASP B 37 11.545 7.423 6.729 1.00 0.39 N ATOM 1074 CA ASP B 37 12.661 7.896 5.917 1.00 0.40 C ATOM 1075 C ASP B 37 12.439 7.619 4.442 1.00 0.32 C ATOM 1076 O ASP B 37 12.862 6.592 3.913 1.00 0.29 O ATOM 1077 CB ASP B 37 13.973 7.268 6.372 1.00 0.48 C ATOM 1078 CG ASP B 37 15.145 8.187 6.119 1.00 1.00 C ATOM 1079 OD1 ASP B 37 15.639 8.245 4.976 1.00 1.58 O ATOM 1080 OD2 ASP B 37 15.563 8.882 7.070 1.00 1.55 O ATOM 0 H ASP B 37 11.136 6.537 6.433 1.00 0.39 H new ATOM 0 HA ASP B 37 12.720 8.976 6.055 1.00 0.40 H new ATOM 0 HB2 ASP B 37 13.916 7.034 7.435 1.00 0.48 H new ATOM 0 HB3 ASP B 37 14.128 6.326 5.846 1.00 0.48 H new ATOM 1085 N PRO B 38 11.772 8.551 3.755 1.00 0.34 N ATOM 1086 CA PRO B 38 11.515 8.459 2.310 1.00 0.31 C ATOM 1087 C PRO B 38 12.798 8.437 1.476 1.00 0.30 C ATOM 1088 O PRO B 38 12.779 8.063 0.302 1.00 0.36 O ATOM 1089 CB PRO B 38 10.712 9.728 2.010 1.00 0.42 C ATOM 1090 CG PRO B 38 11.009 10.645 3.146 1.00 0.49 C ATOM 1091 CD PRO B 38 11.171 9.765 4.336 1.00 0.46 C ATOM 0 HA PRO B 38 10.999 7.533 2.055 1.00 0.31 H new ATOM 0 HB2 PRO B 38 11.009 10.168 1.058 1.00 0.42 H new ATOM 0 HB3 PRO B 38 9.645 9.514 1.943 1.00 0.42 H new ATOM 0 HG2 PRO B 38 11.915 11.222 2.958 1.00 0.49 H new ATOM 0 HG3 PRO B 38 10.200 11.361 3.294 1.00 0.49 H new ATOM 0 HD2 PRO B 38 11.816 10.216 5.090 1.00 0.46 H new ATOM 0 HD3 PRO B 38 10.216 9.554 4.818 1.00 0.46 H new ATOM 1099 N SER B 39 13.911 8.819 2.097 1.00 0.29 N ATOM 1100 CA SER B 39 15.192 8.892 1.408 1.00 0.31 C ATOM 1101 C SER B 39 15.682 7.502 1.006 1.00 0.26 C ATOM 1102 O SER B 39 16.518 7.358 0.114 1.00 0.31 O ATOM 1103 CB SER B 39 16.225 9.595 2.290 1.00 0.39 C ATOM 1104 OG SER B 39 17.425 9.854 1.580 1.00 1.45 O ATOM 0 H SER B 39 13.949 9.084 3.081 1.00 0.29 H new ATOM 0 HA SER B 39 15.057 9.472 0.495 1.00 0.31 H new ATOM 0 HB2 SER B 39 15.811 10.533 2.660 1.00 0.39 H new ATOM 0 HB3 SER B 39 16.443 8.977 3.161 1.00 0.39 H new ATOM 0 HG SER B 39 18.064 10.305 2.171 1.00 1.45 H new ATOM 1110 N GLN B 40 15.140 6.481 1.650 1.00 0.21 N ATOM 1111 CA GLN B 40 15.527 5.110 1.354 1.00 0.19 C ATOM 1112 C GLN B 40 14.384 4.308 0.798 1.00 0.15 C ATOM 1113 O GLN B 40 14.430 3.091 0.821 1.00 0.14 O ATOM 1114 CB GLN B 40 16.019 4.395 2.587 1.00 0.22 C ATOM 1115 CG GLN B 40 15.545 5.004 3.881 1.00 0.25 C ATOM 1116 CD GLN B 40 16.651 5.072 4.891 1.00 0.32 C ATOM 1117 OE1 GLN B 40 16.843 4.177 5.711 1.00 0.37 O ATOM 1118 NE2 GLN B 40 17.402 6.138 4.794 1.00 0.35 N ATOM 0 H GLN B 40 14.433 6.574 2.379 1.00 0.21 H new ATOM 0 HA GLN B 40 16.323 5.185 0.613 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.693 3.356 2.546 1.00 0.22 H new ATOM 0 HB3 GLN B 40 17.109 4.387 2.579 1.00 0.22 H new ATOM 0 HG2 GLN B 40 15.159 6.006 3.693 1.00 0.25 H new ATOM 0 HG3 GLN B 40 14.720 4.415 4.282 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.192 6.848 4.092 1.00 0.35 H new ATOM 0 HE22 GLN B 40 18.198 6.260 5.420 1.00 0.35 H new ATOM 1127 N SER B 41 13.358 4.984 0.343 1.00 0.15 N ATOM 1128 CA SER B 41 12.183 4.329 -0.227 1.00 0.14 C ATOM 1129 C SER B 41 12.546 3.198 -1.211 1.00 0.11 C ATOM 1130 O SER B 41 11.781 2.257 -1.359 1.00 0.10 O ATOM 1131 CB SER B 41 11.266 5.360 -0.887 1.00 0.16 C ATOM 1132 OG SER B 41 11.988 6.188 -1.783 1.00 0.75 O ATOM 0 H SER B 41 13.304 6.003 0.353 1.00 0.15 H new ATOM 0 HA SER B 41 11.649 3.857 0.597 1.00 0.14 H new ATOM 0 HB2 SER B 41 10.467 4.849 -1.424 1.00 0.16 H new ATOM 0 HB3 SER B 41 10.794 5.974 -0.120 1.00 0.16 H new ATOM 0 HG SER B 41 12.376 6.942 -1.291 1.00 0.75 H new ATOM 1138 N ALA B 42 13.702 3.281 -1.877 1.00 0.09 N ATOM 1139 CA ALA B 42 14.158 2.185 -2.740 1.00 0.08 C ATOM 1140 C ALA B 42 14.751 1.031 -1.932 1.00 0.10 C ATOM 1141 O ALA B 42 14.484 -0.136 -2.215 1.00 0.10 O ATOM 1142 CB ALA B 42 15.162 2.663 -3.763 1.00 0.09 C ATOM 0 H ALA B 42 14.331 4.083 -1.837 1.00 0.09 H new ATOM 0 HA ALA B 42 13.275 1.818 -3.263 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.477 1.824 -4.384 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.705 3.428 -4.391 1.00 0.09 H new ATOM 0 HB3 ALA B 42 16.029 3.083 -3.253 1.00 0.09 H new ATOM 1148 N ASN B 43 15.557 1.355 -0.926 1.00 0.12 N ATOM 1149 CA ASN B 43 16.126 0.331 -0.051 1.00 0.14 C ATOM 1150 C ASN B 43 15.005 -0.291 0.759 1.00 0.14 C ATOM 1151 O ASN B 43 14.984 -1.489 1.025 1.00 0.15 O ATOM 1152 CB ASN B 43 17.179 0.928 0.893 1.00 0.18 C ATOM 1153 CG ASN B 43 18.383 1.490 0.173 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.353 0.783 -0.100 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.337 2.778 -0.119 1.00 0.33 N ATOM 0 H ASN B 43 15.830 2.310 -0.696 1.00 0.12 H new ATOM 0 HA ASN B 43 16.618 -0.424 -0.664 1.00 0.14 H new ATOM 0 HB2 ASN B 43 16.718 1.718 1.486 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.509 0.158 1.590 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.126 3.223 -0.589 1.00 0.33 H new ATOM 0 HD22 ASN B 43 17.513 3.327 0.125 1.00 0.33 H new ATOM 1162 N LEU B 44 14.081 0.564 1.142 1.00 0.13 N ATOM 1163 CA LEU B 44 12.843 0.160 1.783 1.00 0.13 C ATOM 1164 C LEU B 44 11.999 -0.666 0.821 1.00 0.11 C ATOM 1165 O LEU B 44 11.391 -1.659 1.216 1.00 0.11 O ATOM 1166 CB LEU B 44 12.059 1.390 2.235 1.00 0.14 C ATOM 1167 CG LEU B 44 12.489 2.028 3.565 1.00 0.17 C ATOM 1168 CD1 LEU B 44 13.880 1.605 3.992 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.459 3.522 3.425 1.00 0.17 C ATOM 0 H LEU B 44 14.167 1.573 1.016 1.00 0.13 H new ATOM 0 HA LEU B 44 13.084 -0.448 2.655 1.00 0.13 H new ATOM 0 HB2 LEU B 44 12.133 2.147 1.454 1.00 0.14 H new ATOM 0 HB3 LEU B 44 11.007 1.114 2.313 1.00 0.14 H new ATOM 0 HG LEU B 44 11.791 1.688 4.330 1.00 0.17 H new ATOM 0 HD11 LEU B 44 14.132 2.085 4.937 1.00 0.19 H new ATOM 0 HD12 LEU B 44 13.909 0.522 4.116 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.601 1.903 3.230 1.00 0.19 H new ATOM 0 HD21 LEU B 44 12.763 3.982 4.365 1.00 0.17 H new ATOM 0 HD22 LEU B 44 13.144 3.827 2.634 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.448 3.844 3.174 1.00 0.17 H new ATOM 1181 N LEU B 45 11.976 -0.247 -0.452 1.00 0.10 N ATOM 1182 CA LEU B 45 11.270 -0.977 -1.504 1.00 0.09 C ATOM 1183 C LEU B 45 11.739 -2.406 -1.486 1.00 0.08 C ATOM 1184 O LEU B 45 10.944 -3.343 -1.452 1.00 0.08 O ATOM 1185 CB LEU B 45 11.568 -0.376 -2.891 1.00 0.09 C ATOM 1186 CG LEU B 45 10.362 -0.253 -3.826 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.758 -0.471 -5.283 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.270 -1.222 -3.417 1.00 0.10 C ATOM 0 H LEU B 45 12.443 0.600 -0.775 1.00 0.10 H new ATOM 0 HA LEU B 45 10.198 -0.911 -1.321 1.00 0.09 H new ATOM 0 HB2 LEU B 45 12.002 0.614 -2.753 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.324 -0.990 -3.380 1.00 0.09 H new ATOM 0 HG LEU B 45 9.977 0.763 -3.738 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.877 -0.376 -5.918 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.497 0.275 -5.575 1.00 0.13 H new ATOM 0 HD13 LEU B 45 11.183 -1.468 -5.399 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.421 -1.120 -4.093 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.652 -2.242 -3.465 1.00 0.10 H new ATOM 0 HD23 LEU B 45 8.951 -1.002 -2.398 1.00 0.10 H new ATOM 1200 N ALA B 46 13.046 -2.542 -1.462 1.00 0.09 N ATOM 1201 CA ALA B 46 13.700 -3.819 -1.397 1.00 0.11 C ATOM 1202 C ALA B 46 13.173 -4.643 -0.247 1.00 0.11 C ATOM 1203 O ALA B 46 13.001 -5.832 -0.390 1.00 0.13 O ATOM 1204 CB ALA B 46 15.183 -3.595 -1.228 1.00 0.13 C ATOM 0 H ALA B 46 13.690 -1.752 -1.488 1.00 0.09 H new ATOM 0 HA ALA B 46 13.502 -4.366 -2.319 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.693 -4.557 -1.177 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.564 -3.027 -2.077 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.365 -3.039 -0.308 1.00 0.13 H new ATOM 1210 N GLU B 47 12.896 -3.998 0.875 1.00 0.11 N ATOM 1211 CA GLU B 47 12.496 -4.694 2.088 1.00 0.12 C ATOM 1212 C GLU B 47 11.059 -5.201 2.004 1.00 0.10 C ATOM 1213 O GLU B 47 10.741 -6.269 2.511 1.00 0.11 O ATOM 1214 CB GLU B 47 12.650 -3.776 3.296 1.00 0.16 C ATOM 1215 CG GLU B 47 14.058 -3.247 3.455 1.00 0.20 C ATOM 1216 CD GLU B 47 14.827 -3.933 4.561 1.00 0.71 C ATOM 1217 OE1 GLU B 47 15.395 -5.017 4.320 1.00 1.43 O ATOM 1218 OE2 GLU B 47 14.877 -3.390 5.681 1.00 1.20 O ATOM 0 H GLU B 47 12.942 -2.984 0.971 1.00 0.11 H new ATOM 0 HA GLU B 47 13.150 -5.559 2.200 1.00 0.12 H new ATOM 0 HB2 GLU B 47 11.961 -2.937 3.199 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.367 -4.319 4.198 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.595 -3.372 2.515 1.00 0.20 H new ATOM 0 HG3 GLU B 47 14.017 -2.177 3.658 1.00 0.20 H new ATOM 1225 N ALA B 48 10.196 -4.424 1.371 1.00 0.07 N ATOM 1226 CA ALA B 48 8.795 -4.817 1.206 1.00 0.07 C ATOM 1227 C ALA B 48 8.712 -5.913 0.193 1.00 0.08 C ATOM 1228 O ALA B 48 7.957 -6.865 0.334 1.00 0.09 O ATOM 1229 CB ALA B 48 7.921 -3.661 0.771 1.00 0.09 C ATOM 0 H ALA B 48 10.433 -3.520 0.962 1.00 0.07 H new ATOM 0 HA ALA B 48 8.428 -5.157 2.174 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.892 -4.004 0.663 1.00 0.09 H new ATOM 0 HB2 ALA B 48 7.963 -2.871 1.521 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.277 -3.275 -0.184 1.00 0.09 H new ATOM 1235 N LYS B 49 9.511 -5.763 -0.834 1.00 0.09 N ATOM 1236 CA LYS B 49 9.580 -6.734 -1.884 1.00 0.12 C ATOM 1237 C LYS B 49 10.341 -7.958 -1.376 1.00 0.15 C ATOM 1238 O LYS B 49 10.091 -9.074 -1.802 1.00 0.19 O ATOM 1239 CB LYS B 49 10.234 -6.082 -3.093 1.00 0.11 C ATOM 1240 CG LYS B 49 9.505 -4.826 -3.539 1.00 0.11 C ATOM 1241 CD LYS B 49 10.117 -4.200 -4.779 1.00 0.12 C ATOM 1242 CE LYS B 49 11.581 -3.861 -4.596 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.289 -3.724 -5.895 1.00 0.20 N ATOM 0 H LYS B 49 10.130 -4.962 -0.961 1.00 0.09 H new ATOM 0 HA LYS B 49 8.591 -7.078 -2.189 1.00 0.12 H new ATOM 0 HB2 LYS B 49 11.268 -5.833 -2.853 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.261 -6.795 -3.917 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.461 -5.068 -3.737 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.515 -4.098 -2.728 1.00 0.11 H new ATOM 0 HD2 LYS B 49 10.009 -4.886 -5.619 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.567 -3.294 -5.034 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.670 -2.931 -4.035 1.00 0.11 H new ATOM 0 HE3 LYS B 49 12.061 -4.638 -4.002 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 13.163 -3.177 -5.758 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.525 -4.668 -6.263 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.675 -3.231 -6.575 1.00 0.20 H new ATOM 1257 N LYS B 50 11.248 -7.715 -0.434 1.00 0.15 N ATOM 1258 CA LYS B 50 11.937 -8.762 0.326 1.00 0.18 C ATOM 1259 C LYS B 50 10.970 -9.504 1.225 1.00 0.20 C ATOM 1260 O LYS B 50 11.059 -10.709 1.386 1.00 0.26 O ATOM 1261 CB LYS B 50 13.000 -8.094 1.192 1.00 0.19 C ATOM 1262 CG LYS B 50 13.330 -8.836 2.478 1.00 0.24 C ATOM 1263 CD LYS B 50 14.317 -8.058 3.336 1.00 0.33 C ATOM 1264 CE LYS B 50 15.637 -7.838 2.617 1.00 1.07 C ATOM 1265 NZ LYS B 50 16.647 -7.205 3.502 1.00 1.88 N ATOM 0 H LYS B 50 11.532 -6.771 -0.171 1.00 0.15 H new ATOM 0 HA LYS B 50 12.381 -9.476 -0.367 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.913 -7.987 0.606 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.664 -7.088 1.445 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.414 -9.011 3.043 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.748 -9.814 2.238 1.00 0.24 H new ATOM 0 HD2 LYS B 50 13.884 -7.094 3.605 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.495 -8.598 4.266 1.00 0.33 H new ATOM 0 HE2 LYS B 50 16.018 -8.793 2.256 1.00 1.07 H new ATOM 0 HE3 LYS B 50 15.474 -7.208 1.742 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 17.574 -7.210 3.030 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 16.366 -6.224 3.704 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 16.710 -7.737 4.393 1.00 1.88 H new ATOM 1279 N LEU B 51 10.084 -8.756 1.847 1.00 0.17 N ATOM 1280 CA LEU B 51 9.059 -9.322 2.691 1.00 0.17 C ATOM 1281 C LEU B 51 8.069 -10.062 1.833 1.00 0.18 C ATOM 1282 O LEU B 51 7.571 -11.133 2.190 1.00 0.20 O ATOM 1283 CB LEU B 51 8.348 -8.227 3.469 1.00 0.14 C ATOM 1284 CG LEU B 51 7.243 -8.733 4.376 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.767 -9.874 5.226 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.679 -7.598 5.216 1.00 0.13 C ATOM 0 H LEU B 51 10.056 -7.739 1.780 1.00 0.17 H new ATOM 0 HA LEU B 51 9.519 -10.008 3.402 1.00 0.17 H new ATOM 0 HB2 LEU B 51 9.080 -7.689 4.071 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.926 -7.510 2.764 1.00 0.14 H new ATOM 0 HG LEU B 51 6.420 -9.116 3.773 1.00 0.12 H new ATOM 0 HD11 LEU B 51 6.972 -10.237 5.878 1.00 0.14 H new ATOM 0 HD12 LEU B 51 8.105 -10.684 4.580 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.601 -9.522 5.833 1.00 0.14 H new ATOM 0 HD21 LEU B 51 5.887 -7.981 5.860 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.472 -7.171 5.830 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.273 -6.827 4.561 1.00 0.13 H new ATOM 1298 N ASN B 52 7.764 -9.454 0.708 1.00 0.18 N ATOM 1299 CA ASN B 52 7.029 -10.121 -0.336 1.00 0.26 C ATOM 1300 C ASN B 52 7.745 -11.418 -0.653 1.00 0.37 C ATOM 1301 O ASN B 52 7.153 -12.473 -0.627 1.00 0.63 O ATOM 1302 CB ASN B 52 6.939 -9.233 -1.576 1.00 0.40 C ATOM 1303 CG ASN B 52 6.145 -9.858 -2.695 1.00 0.79 C ATOM 1304 OD1 ASN B 52 6.687 -10.583 -3.525 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.857 -9.576 -2.733 1.00 0.29 N ATOM 0 H ASN B 52 8.018 -8.489 0.495 1.00 0.18 H new ATOM 0 HA ASN B 52 6.010 -10.329 -0.009 1.00 0.26 H new ATOM 0 HB2 ASN B 52 6.483 -8.282 -1.302 1.00 0.40 H new ATOM 0 HB3 ASN B 52 7.946 -9.013 -1.932 1.00 0.40 H new ATOM 0 HD21 ASN B 52 4.271 -9.965 -3.472 1.00 0.29 H new ATOM 0 HD22 ASN B 52 4.447 -8.969 -2.023 1.00 0.29 H new ATOM 1312 N ASP B 53 9.049 -11.319 -0.827 1.00 0.31 N ATOM 1313 CA ASP B 53 9.895 -12.465 -1.155 1.00 0.37 C ATOM 1314 C ASP B 53 9.916 -13.457 -0.008 1.00 0.38 C ATOM 1315 O ASP B 53 10.051 -14.664 -0.213 1.00 0.47 O ATOM 1316 CB ASP B 53 11.328 -12.004 -1.435 1.00 0.38 C ATOM 1317 CG ASP B 53 11.519 -11.471 -2.844 1.00 0.93 C ATOM 1318 OD1 ASP B 53 10.836 -11.962 -3.768 1.00 1.59 O ATOM 1319 OD2 ASP B 53 12.370 -10.576 -3.041 1.00 1.71 O ATOM 0 H ASP B 53 9.560 -10.440 -0.746 1.00 0.31 H new ATOM 0 HA ASP B 53 9.482 -12.945 -2.043 1.00 0.37 H new ATOM 0 HB2 ASP B 53 11.600 -11.228 -0.720 1.00 0.38 H new ATOM 0 HB3 ASP B 53 12.010 -12.839 -1.274 1.00 0.38 H new ATOM 1324 N ALA B 54 9.773 -12.932 1.197 1.00 0.30 N ATOM 1325 CA ALA B 54 9.910 -13.719 2.401 1.00 0.30 C ATOM 1326 C ALA B 54 8.750 -14.683 2.562 1.00 0.27 C ATOM 1327 O ALA B 54 8.919 -15.827 2.979 1.00 0.32 O ATOM 1328 CB ALA B 54 9.974 -12.802 3.606 1.00 0.27 C ATOM 0 H ALA B 54 9.559 -11.949 1.363 1.00 0.30 H new ATOM 0 HA ALA B 54 10.830 -14.298 2.324 1.00 0.30 H new ATOM 0 HB1 ALA B 54 10.077 -13.399 4.512 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.831 -12.135 3.511 1.00 0.27 H new ATOM 0 HB3 ALA B 54 9.060 -12.211 3.663 1.00 0.27 H new ATOM 1334 N GLN B 55 7.570 -14.198 2.230 1.00 0.23 N ATOM 1335 CA GLN B 55 6.349 -14.934 2.484 1.00 0.23 C ATOM 1336 C GLN B 55 5.729 -15.436 1.190 1.00 0.27 C ATOM 1337 O GLN B 55 4.840 -16.287 1.210 1.00 0.34 O ATOM 1338 CB GLN B 55 5.367 -14.030 3.200 1.00 0.21 C ATOM 1339 CG GLN B 55 5.929 -13.412 4.453 1.00 0.18 C ATOM 1340 CD GLN B 55 4.979 -12.402 5.021 1.00 0.20 C ATOM 1341 OE1 GLN B 55 4.175 -12.694 5.906 1.00 0.27 O ATOM 1342 NE2 GLN B 55 5.018 -11.226 4.448 1.00 0.19 N ATOM 0 H GLN B 55 7.431 -13.292 1.781 1.00 0.23 H new ATOM 0 HA GLN B 55 6.587 -15.799 3.103 1.00 0.23 H new ATOM 0 HB2 GLN B 55 5.053 -13.237 2.521 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.475 -14.603 3.454 1.00 0.21 H new ATOM 0 HG2 GLN B 55 6.124 -14.190 5.191 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.884 -12.935 4.232 1.00 0.18 H new ATOM 0 HE21 GLN B 55 5.706 -11.037 3.719 1.00 0.19 H new ATOM 0 HE22 GLN B 55 4.361 -10.499 4.731 1.00 0.19 H new ATOM 1351 N ALA B 56 6.209 -14.889 0.071 1.00 0.27 N ATOM 1352 CA ALA B 56 5.691 -15.205 -1.256 1.00 0.32 C ATOM 1353 C ALA B 56 5.511 -16.709 -1.489 1.00 0.38 C ATOM 1354 O ALA B 56 4.438 -17.142 -1.912 1.00 0.41 O ATOM 1355 CB ALA B 56 6.610 -14.621 -2.306 1.00 0.39 C ATOM 0 H ALA B 56 6.972 -14.212 0.063 1.00 0.27 H new ATOM 0 HA ALA B 56 4.699 -14.760 -1.330 1.00 0.32 H new ATOM 0 HB1 ALA B 56 6.225 -14.856 -3.298 1.00 0.39 H new ATOM 0 HB2 ALA B 56 6.661 -13.539 -2.184 1.00 0.39 H new ATOM 0 HB3 ALA B 56 7.607 -15.046 -2.194 1.00 0.39 H new ATOM 1361 N PRO B 57 6.546 -17.536 -1.215 1.00 0.48 N ATOM 1362 CA PRO B 57 6.470 -18.970 -1.425 1.00 0.59 C ATOM 1363 C PRO B 57 5.833 -19.674 -0.233 1.00 0.69 C ATOM 1364 O PRO B 57 6.506 -19.992 0.752 1.00 0.78 O ATOM 1365 CB PRO B 57 7.938 -19.393 -1.598 1.00 0.71 C ATOM 1366 CG PRO B 57 8.768 -18.178 -1.299 1.00 0.70 C ATOM 1367 CD PRO B 57 7.858 -17.170 -0.672 1.00 0.54 C ATOM 0 HA PRO B 57 5.850 -19.234 -2.282 1.00 0.59 H new ATOM 0 HB2 PRO B 57 8.189 -20.210 -0.922 1.00 0.71 H new ATOM 0 HB3 PRO B 57 8.122 -19.749 -2.611 1.00 0.71 H new ATOM 0 HG2 PRO B 57 9.589 -18.428 -0.626 1.00 0.70 H new ATOM 0 HG3 PRO B 57 9.213 -17.781 -2.211 1.00 0.70 H new ATOM 0 HD2 PRO B 57 7.877 -17.230 0.416 1.00 0.54 H new ATOM 0 HD3 PRO B 57 8.137 -16.151 -0.940 1.00 0.54 H new ATOM 1375 N LYS B 58 4.528 -19.889 -0.326 1.00 0.90 N ATOM 1376 CA LYS B 58 3.763 -20.528 0.734 1.00 1.10 C ATOM 1377 C LYS B 58 4.196 -21.983 0.897 1.00 1.70 C ATOM 1378 O LYS B 58 3.814 -22.820 0.051 1.00 2.13 O ATOM 1379 CB LYS B 58 2.267 -20.449 0.414 1.00 1.40 C ATOM 1380 CG LYS B 58 1.360 -20.946 1.531 1.00 1.73 C ATOM 1381 CD LYS B 58 1.400 -20.020 2.736 1.00 2.38 C ATOM 1382 CE LYS B 58 0.417 -20.456 3.810 1.00 2.95 C ATOM 1383 NZ LYS B 58 0.754 -21.790 4.374 1.00 3.49 N ATOM 1384 OXT LYS B 58 4.929 -22.284 1.861 1.00 2.35 O ATOM 0 H LYS B 58 3.971 -19.625 -1.138 1.00 0.90 H new ATOM 0 HA LYS B 58 3.952 -20.006 1.672 1.00 1.10 H new ATOM 0 HB2 LYS B 58 2.010 -19.414 0.187 1.00 1.40 H new ATOM 0 HB3 LYS B 58 2.069 -21.032 -0.486 1.00 1.40 H new ATOM 0 HG2 LYS B 58 0.337 -21.022 1.163 1.00 1.73 H new ATOM 0 HG3 LYS B 58 1.666 -21.948 1.831 1.00 1.73 H new ATOM 0 HD2 LYS B 58 2.408 -20.004 3.150 1.00 2.38 H new ATOM 0 HD3 LYS B 58 1.168 -19.002 2.421 1.00 2.38 H new ATOM 0 HE2 LYS B 58 0.406 -19.717 4.611 1.00 2.95 H new ATOM 0 HE3 LYS B 58 -0.588 -20.485 3.390 1.00 2.95 H new ATOM 0 HZ1 LYS B 58 0.130 -21.993 5.181 1.00 3.49 H new ATOM 0 HZ2 LYS B 58 0.624 -22.519 3.643 1.00 3.49 H new ATOM 0 HZ3 LYS B 58 1.744 -21.792 4.693 1.00 3.49 H new TER 1398 LYS B 58 ATOM 1399 N GLU C 35 -14.182 -9.591 -4.456 1.00 1.19 N ATOM 1400 CA GLU C 35 -13.831 -8.180 -4.192 1.00 1.03 C ATOM 1401 C GLU C 35 -12.651 -8.096 -3.241 1.00 0.71 C ATOM 1402 O GLU C 35 -12.558 -8.863 -2.283 1.00 1.01 O ATOM 1403 CB GLU C 35 -15.022 -7.439 -3.590 1.00 1.88 C ATOM 1404 CG GLU C 35 -16.228 -7.382 -4.507 1.00 2.46 C ATOM 1405 CD GLU C 35 -17.444 -6.811 -3.816 1.00 2.78 C ATOM 1406 OE1 GLU C 35 -17.477 -5.588 -3.574 1.00 3.32 O ATOM 1407 OE2 GLU C 35 -18.371 -7.586 -3.506 1.00 3.05 O ATOM 0 HA GLU C 35 -13.561 -7.714 -5.140 1.00 1.03 H new ATOM 0 HB2 GLU C 35 -15.308 -7.925 -2.657 1.00 1.88 H new ATOM 0 HB3 GLU C 35 -14.718 -6.423 -3.340 1.00 1.88 H new ATOM 0 HG2 GLU C 35 -15.990 -6.775 -5.380 1.00 2.46 H new ATOM 0 HG3 GLU C 35 -16.455 -8.385 -4.869 1.00 2.46 H new ATOM 1416 N GLY C 36 -11.752 -7.174 -3.523 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.606 -6.956 -2.675 1.00 0.20 C ATOM 1418 C GLY C 36 -9.805 -5.767 -3.147 1.00 0.15 C ATOM 1419 O GLY C 36 -10.110 -5.193 -4.191 1.00 0.22 O ATOM 0 H GLY C 36 -11.797 -6.563 -4.338 1.00 0.40 H new ATOM 0 HA2 GLY C 36 -10.934 -6.794 -1.648 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -9.976 -7.846 -2.672 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.803 -5.380 -2.379 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.907 -4.307 -2.779 1.00 0.09 C ATOM 1425 C VAL C 37 -6.458 -4.759 -2.589 1.00 0.10 C ATOM 1426 O VAL C 37 -6.128 -5.449 -1.621 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.161 -3.011 -1.975 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.605 -2.559 -2.110 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.794 -3.201 -0.515 1.00 0.10 C ATOM 0 H VAL C 37 -8.588 -5.793 -1.472 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.097 -4.084 -3.829 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.523 -2.230 -2.389 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.756 -1.646 -1.535 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.830 -2.368 -3.159 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.267 -3.339 -1.733 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.981 -2.276 0.031 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.398 -4.002 -0.089 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.739 -3.462 -0.436 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.613 -4.397 -3.528 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.211 -4.774 -3.499 1.00 0.11 C ATOM 1441 C LEU C 38 -3.331 -3.576 -3.160 1.00 0.12 C ATOM 1442 O LEU C 38 -3.513 -2.490 -3.703 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.831 -5.377 -4.862 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.335 -5.427 -5.200 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -1.553 -6.072 -4.090 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -2.092 -6.189 -6.488 1.00 0.74 C ATOM 0 H LEU C 38 -5.875 -3.832 -4.336 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.050 -5.519 -2.720 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.224 -6.393 -4.906 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.337 -4.805 -5.640 1.00 0.13 H new ATOM 0 HG LEU C 38 -1.998 -4.398 -5.325 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -0.496 -6.095 -4.355 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -1.685 -5.499 -3.172 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -1.911 -7.090 -3.937 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -1.024 -6.209 -6.703 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -2.460 -7.210 -6.382 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -2.618 -5.697 -7.306 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.377 -3.778 -2.258 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.416 -2.749 -1.932 1.00 0.10 C ATOM 1460 C TYR C 39 -0.407 -2.650 -3.052 1.00 0.12 C ATOM 1461 O TYR C 39 0.359 -3.582 -3.310 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.701 -3.061 -0.619 1.00 0.14 C ATOM 1463 CG TYR C 39 0.285 -1.990 -0.186 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.555 -1.915 -0.747 1.00 1.12 C ATOM 1465 CD2 TYR C 39 -0.051 -1.065 0.791 1.00 1.09 C ATOM 1466 CE1 TYR C 39 2.458 -0.949 -0.351 1.00 1.12 C ATOM 1467 CE2 TYR C 39 0.848 -0.097 1.195 1.00 1.09 C ATOM 1468 CZ TYR C 39 2.100 -0.045 0.622 1.00 0.16 C ATOM 1469 OH TYR C 39 2.999 0.912 1.032 1.00 0.17 O ATOM 0 H TYR C 39 -2.254 -4.649 -1.742 1.00 0.10 H new ATOM 0 HA TYR C 39 -1.941 -1.801 -1.813 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.445 -3.195 0.166 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.172 -4.008 -0.721 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.841 -2.627 -1.508 1.00 1.12 H new ATOM 0 HD2 TYR C 39 -1.031 -1.102 1.243 1.00 1.09 H new ATOM 0 HE1 TYR C 39 3.438 -0.903 -0.802 1.00 1.12 H new ATOM 0 HE2 TYR C 39 0.571 0.616 1.957 1.00 1.09 H new ATOM 0 HH TYR C 39 3.904 0.647 0.765 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.426 -1.535 -3.726 1.00 0.10 N ATOM 1480 CA VAL C 40 0.530 -1.282 -4.775 1.00 0.11 C ATOM 1481 C VAL C 40 1.333 -0.027 -4.479 1.00 0.10 C ATOM 1482 O VAL C 40 0.863 0.888 -3.811 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.169 -1.140 -6.138 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.069 0.064 -6.147 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.837 -1.035 -7.266 1.00 0.13 C ATOM 0 H VAL C 40 -1.095 -0.781 -3.569 1.00 0.10 H new ATOM 0 HA VAL C 40 1.207 -2.136 -4.817 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.768 -2.037 -6.294 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.555 0.148 -7.119 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.827 -0.042 -5.371 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.479 0.961 -5.958 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.310 -0.936 -8.215 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.470 -0.161 -7.109 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.456 -1.932 -7.286 1.00 0.13 H new ATOM 1495 N GLY C 41 2.547 -0.007 -4.963 1.00 0.10 N ATOM 1496 CA GLY C 41 3.370 1.158 -4.851 1.00 0.09 C ATOM 1497 C GLY C 41 3.870 1.593 -6.200 1.00 0.09 C ATOM 1498 O GLY C 41 3.814 0.828 -7.159 1.00 0.09 O ATOM 0 H GLY C 41 2.986 -0.793 -5.441 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.802 1.967 -4.391 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.215 0.949 -4.195 1.00 0.09 H new ATOM 1502 N SER C 42 4.374 2.803 -6.278 1.00 0.11 N ATOM 1503 CA SER C 42 4.905 3.322 -7.521 1.00 0.12 C ATOM 1504 C SER C 42 6.231 3.997 -7.242 1.00 0.15 C ATOM 1505 O SER C 42 6.327 4.914 -6.423 1.00 0.17 O ATOM 1506 CB SER C 42 3.917 4.282 -8.197 1.00 0.12 C ATOM 1507 OG SER C 42 4.355 4.647 -9.497 1.00 0.15 O ATOM 0 H SER C 42 4.428 3.451 -5.492 1.00 0.11 H new ATOM 0 HA SER C 42 5.061 2.498 -8.217 1.00 0.12 H new ATOM 0 HB2 SER C 42 2.936 3.811 -8.261 1.00 0.12 H new ATOM 0 HB3 SER C 42 3.802 5.177 -7.586 1.00 0.12 H new ATOM 0 HG SER C 42 3.704 5.257 -9.902 1.00 0.15 H new ATOM 1513 N LYS C 43 7.255 3.491 -7.891 1.00 0.16 N ATOM 1514 CA LYS C 43 8.609 3.942 -7.682 1.00 0.19 C ATOM 1515 C LYS C 43 8.876 5.209 -8.478 1.00 0.19 C ATOM 1516 O LYS C 43 9.020 5.158 -9.691 1.00 0.19 O ATOM 1517 CB LYS C 43 9.555 2.845 -8.128 1.00 0.20 C ATOM 1518 CG LYS C 43 10.959 3.053 -7.661 1.00 0.23 C ATOM 1519 CD LYS C 43 11.027 2.900 -6.163 1.00 0.28 C ATOM 1520 CE LYS C 43 12.391 3.218 -5.602 1.00 0.34 C ATOM 1521 NZ LYS C 43 12.939 4.499 -6.128 1.00 0.89 N ATOM 0 H LYS C 43 7.169 2.748 -8.585 1.00 0.16 H new ATOM 0 HA LYS C 43 8.761 4.165 -6.626 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.193 1.887 -7.754 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.546 2.786 -9.216 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.622 2.332 -8.140 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.305 4.045 -7.950 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.288 3.555 -5.702 1.00 0.28 H new ATOM 0 HD3 LYS C 43 10.758 1.878 -5.895 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.330 3.272 -4.515 1.00 0.34 H new ATOM 0 HE3 LYS C 43 13.078 2.407 -5.843 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 13.559 4.931 -5.413 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.485 4.314 -6.993 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 12.156 5.148 -6.345 1.00 0.89 H new ATOM 1535 N THR C 44 8.963 6.336 -7.800 1.00 0.23 N ATOM 1536 CA THR C 44 8.979 7.623 -8.489 1.00 0.26 C ATOM 1537 C THR C 44 10.051 8.570 -7.934 1.00 0.34 C ATOM 1538 O THR C 44 11.058 8.126 -7.382 1.00 0.37 O ATOM 1539 CB THR C 44 7.606 8.317 -8.394 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.403 8.850 -7.076 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.471 7.366 -8.717 1.00 0.26 C ATOM 0 H THR C 44 9.023 6.394 -6.783 1.00 0.23 H new ATOM 0 HA THR C 44 9.215 7.407 -9.531 1.00 0.26 H new ATOM 0 HB THR C 44 7.605 9.123 -9.128 1.00 0.30 H new ATOM 0 HG1 THR C 44 6.528 9.289 -7.032 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.521 7.894 -8.639 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.592 6.986 -9.731 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.483 6.533 -8.014 1.00 0.26 H new ATOM 1549 N LYS C 45 9.820 9.880 -8.101 1.00 0.40 N ATOM 1550 CA LYS C 45 10.754 10.910 -7.646 1.00 0.49 C ATOM 1551 C LYS C 45 10.871 10.912 -6.121 1.00 0.50 C ATOM 1552 O LYS C 45 11.975 10.980 -5.581 1.00 0.57 O ATOM 1553 CB LYS C 45 10.300 12.287 -8.143 1.00 0.59 C ATOM 1554 CG LYS C 45 11.277 13.413 -7.826 1.00 1.53 C ATOM 1555 CD LYS C 45 12.597 13.257 -8.571 1.00 2.10 C ATOM 1556 CE LYS C 45 12.415 13.395 -10.077 1.00 2.43 C ATOM 1557 NZ LYS C 45 13.715 13.362 -10.799 1.00 3.18 N ATOM 0 H LYS C 45 8.984 10.250 -8.553 1.00 0.40 H new ATOM 0 HA LYS C 45 11.737 10.686 -8.060 1.00 0.49 H new ATOM 0 HB2 LYS C 45 10.151 12.242 -9.222 1.00 0.59 H new ATOM 0 HB3 LYS C 45 9.333 12.522 -7.698 1.00 0.59 H new ATOM 0 HG2 LYS C 45 10.824 14.369 -8.089 1.00 1.53 H new ATOM 0 HG3 LYS C 45 11.468 13.435 -6.753 1.00 1.53 H new ATOM 0 HD2 LYS C 45 13.304 14.009 -8.220 1.00 2.10 H new ATOM 0 HD3 LYS C 45 13.029 12.282 -8.345 1.00 2.10 H new ATOM 0 HE2 LYS C 45 11.777 12.589 -10.441 1.00 2.43 H new ATOM 0 HE3 LYS C 45 11.902 14.331 -10.296 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 13.547 13.459 -11.821 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 14.314 14.146 -10.471 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 14.194 12.458 -10.611 1.00 3.18 H new ATOM 1571 N GLU C 46 9.732 10.833 -5.432 1.00 0.47 N ATOM 1572 CA GLU C 46 9.734 10.689 -3.977 1.00 0.51 C ATOM 1573 C GLU C 46 10.247 9.297 -3.661 1.00 0.48 C ATOM 1574 O GLU C 46 10.964 9.063 -2.688 1.00 0.55 O ATOM 1575 CB GLU C 46 8.321 10.879 -3.420 1.00 0.51 C ATOM 1576 CG GLU C 46 7.711 12.231 -3.754 1.00 0.63 C ATOM 1577 CD GLU C 46 6.290 12.374 -3.249 1.00 0.73 C ATOM 1578 OE1 GLU C 46 5.354 12.020 -3.993 1.00 0.72 O ATOM 1579 OE2 GLU C 46 6.102 12.842 -2.106 1.00 0.88 O ATOM 0 H GLU C 46 8.804 10.866 -5.854 1.00 0.47 H new ATOM 0 HA GLU C 46 10.371 11.444 -3.517 1.00 0.51 H new ATOM 0 HB2 GLU C 46 7.676 10.092 -3.812 1.00 0.51 H new ATOM 0 HB3 GLU C 46 8.347 10.759 -2.337 1.00 0.51 H new ATOM 0 HG2 GLU C 46 8.327 13.019 -3.321 1.00 0.63 H new ATOM 0 HG3 GLU C 46 7.724 12.374 -4.835 1.00 0.63 H new ATOM 1586 N GLY C 47 9.840 8.386 -4.518 1.00 0.38 N ATOM 1587 CA GLY C 47 10.481 7.110 -4.658 1.00 0.40 C ATOM 1588 C GLY C 47 9.610 5.953 -4.264 1.00 0.31 C ATOM 1589 O GLY C 47 9.788 4.880 -4.786 1.00 0.38 O ATOM 0 H GLY C 47 9.044 8.519 -5.142 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.794 6.982 -5.694 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.384 7.098 -4.048 1.00 0.40 H new ATOM 1593 N VAL C 48 8.615 6.173 -3.428 1.00 0.21 N ATOM 1594 CA VAL C 48 7.612 5.145 -3.154 1.00 0.15 C ATOM 1595 C VAL C 48 6.308 5.791 -2.720 1.00 0.10 C ATOM 1596 O VAL C 48 6.280 6.563 -1.760 1.00 0.12 O ATOM 1597 CB VAL C 48 8.080 4.085 -2.102 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.913 3.303 -1.535 1.00 0.15 C ATOM 1599 CG2 VAL C 48 9.074 3.108 -2.708 1.00 0.20 C ATOM 0 H VAL C 48 8.473 7.049 -2.925 1.00 0.21 H new ATOM 0 HA VAL C 48 7.459 4.600 -4.085 1.00 0.15 H new ATOM 0 HB VAL C 48 8.560 4.642 -1.297 1.00 0.15 H new ATOM 0 HG11 VAL C 48 7.280 2.578 -0.809 1.00 0.15 H new ATOM 0 HG12 VAL C 48 6.220 3.987 -1.046 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.399 2.781 -2.342 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.380 2.385 -1.952 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.607 2.585 -3.543 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.949 3.653 -3.064 1.00 0.20 H new ATOM 1609 N VAL C 49 5.244 5.506 -3.445 1.00 0.09 N ATOM 1610 CA VAL C 49 3.920 5.924 -3.030 1.00 0.07 C ATOM 1611 C VAL C 49 3.080 4.704 -2.711 1.00 0.08 C ATOM 1612 O VAL C 49 3.225 3.660 -3.342 1.00 0.12 O ATOM 1613 CB VAL C 49 3.203 6.780 -4.094 1.00 0.07 C ATOM 1614 CG1 VAL C 49 3.009 5.994 -5.385 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.867 7.276 -3.551 1.00 0.09 C ATOM 0 H VAL C 49 5.271 4.987 -4.323 1.00 0.09 H new ATOM 0 HA VAL C 49 4.042 6.547 -2.144 1.00 0.07 H new ATOM 0 HB VAL C 49 3.827 7.644 -4.324 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.501 6.620 -6.119 1.00 0.07 H new ATOM 0 HG12 VAL C 49 3.980 5.691 -5.776 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.406 5.108 -5.185 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.368 7.880 -4.309 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.239 6.423 -3.295 1.00 0.09 H new ATOM 0 HG23 VAL C 49 2.038 7.881 -2.660 1.00 0.09 H new ATOM 1625 N HIS C 50 2.222 4.835 -1.724 1.00 0.08 N ATOM 1626 CA HIS C 50 1.369 3.742 -1.306 1.00 0.09 C ATOM 1627 C HIS C 50 -0.002 3.923 -1.921 1.00 0.07 C ATOM 1628 O HIS C 50 -0.738 4.850 -1.576 1.00 0.09 O ATOM 1629 CB HIS C 50 1.252 3.704 0.220 1.00 0.13 C ATOM 1630 CG HIS C 50 2.405 4.352 0.923 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.653 3.782 0.953 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.446 5.540 1.563 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.421 4.635 1.604 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.732 5.717 1.995 1.00 0.26 N ATOM 0 H HIS C 50 2.095 5.695 -1.191 1.00 0.08 H new ATOM 0 HA HIS C 50 1.805 2.801 -1.640 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.329 4.201 0.518 1.00 0.13 H new ATOM 0 HB3 HIS C 50 1.175 2.666 0.545 1.00 0.13 H new ATOM 0 HD1 HIS C 50 3.930 2.885 0.555 1.00 0.23 H new ATOM 0 HD2 HIS C 50 1.620 6.221 1.707 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.472 4.481 1.798 1.00 0.28 H new ATOM 1642 N GLY C 51 -0.324 3.066 -2.860 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.609 3.125 -3.493 1.00 0.05 C ATOM 1644 C GLY C 51 -2.325 1.812 -3.393 1.00 0.06 C ATOM 1645 O GLY C 51 -1.857 0.890 -2.720 1.00 0.07 O ATOM 0 H GLY C 51 0.288 2.323 -3.198 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.210 3.906 -3.028 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.488 3.397 -4.542 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.448 1.702 -4.064 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.225 0.492 -3.988 1.00 0.08 C ATOM 1651 C VAL C 52 -4.791 0.134 -5.332 1.00 0.09 C ATOM 1652 O VAL C 52 -5.357 0.966 -6.025 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.353 0.568 -2.907 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.658 2.002 -2.497 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.638 -0.087 -3.378 1.00 0.08 C ATOM 0 H VAL C 52 -3.839 2.429 -4.663 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.545 -0.300 -3.675 1.00 0.08 H new ATOM 0 HB VAL C 52 -4.969 0.024 -2.044 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.447 2.005 -1.745 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.760 2.461 -2.083 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -5.986 2.568 -3.369 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.393 -0.011 -2.596 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -6.994 0.416 -4.277 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.451 -1.138 -3.600 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.628 -1.118 -5.684 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.215 -1.643 -6.878 1.00 0.10 C ATOM 1667 C ALA C 53 -6.407 -2.435 -6.458 1.00 0.09 C ATOM 1668 O ALA C 53 -6.271 -3.481 -5.839 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.259 -2.553 -7.626 1.00 0.11 C ATOM 0 H ALA C 53 -4.085 -1.795 -5.148 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.474 -0.823 -7.547 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.745 -2.930 -8.526 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.366 -1.993 -7.903 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -3.979 -3.391 -6.987 1.00 0.11 H new ATOM 1675 N THR C 54 -7.567 -1.961 -6.782 1.00 0.09 N ATOM 1676 CA THR C 54 -8.752 -2.659 -6.342 1.00 0.12 C ATOM 1677 C THR C 54 -8.988 -3.806 -7.302 1.00 0.19 C ATOM 1678 O THR C 54 -8.396 -3.829 -8.374 1.00 0.45 O ATOM 1679 CB THR C 54 -9.974 -1.719 -6.232 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.196 -2.461 -6.147 1.00 0.23 O ATOM 1681 CG2 THR C 54 -10.024 -0.763 -7.399 1.00 0.14 C ATOM 0 H THR C 54 -7.728 -1.118 -7.334 1.00 0.09 H new ATOM 0 HA THR C 54 -8.606 -3.047 -5.334 1.00 0.12 H new ATOM 0 HB THR C 54 -9.862 -1.142 -5.314 1.00 0.14 H new ATOM 0 HG1 THR C 54 -11.951 -1.840 -6.077 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.893 -0.112 -7.299 1.00 0.14 H new ATOM 0 HG22 THR C 54 -9.117 -0.159 -7.413 1.00 0.14 H new ATOM 0 HG23 THR C 54 -10.099 -1.327 -8.329 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.750 -4.796 -6.898 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.925 -5.972 -7.724 1.00 0.29 C ATOM 1691 C VAL C 55 -11.278 -6.628 -7.481 1.00 0.36 C ATOM 1692 O VAL C 55 -11.654 -6.929 -6.347 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.760 -6.979 -7.521 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -8.485 -7.239 -6.044 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -9.038 -8.280 -8.256 1.00 0.39 C ATOM 0 H VAL C 55 -10.255 -4.813 -6.012 1.00 0.23 H new ATOM 0 HA VAL C 55 -9.904 -5.649 -8.765 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.862 -6.528 -7.944 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.663 -7.949 -5.946 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -8.217 -6.303 -5.554 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -9.378 -7.651 -5.575 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -8.209 -8.970 -8.100 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -9.957 -8.724 -7.874 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -9.147 -8.080 -9.322 1.00 0.39 H new ATOM 1705 N ALA C 56 -12.002 -6.831 -8.567 1.00 0.49 N ATOM 1706 CA ALA C 56 -13.341 -7.383 -8.522 1.00 0.64 C ATOM 1707 C ALA C 56 -13.290 -8.904 -8.460 1.00 0.75 C ATOM 1708 O ALA C 56 -13.545 -9.469 -7.376 1.00 1.43 O ATOM 1709 CB ALA C 56 -14.115 -6.917 -9.744 1.00 0.86 C ATOM 1710 OXT ALA C 56 -12.968 -9.529 -9.489 1.00 1.16 O ATOM 0 H ALA C 56 -11.675 -6.616 -9.509 1.00 0.49 H new ATOM 0 HA ALA C 56 -13.848 -7.031 -7.623 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -15.123 -7.330 -9.715 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -14.168 -5.828 -9.748 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -13.609 -7.258 -10.647 1.00 0.86 H new TER 1716 ALA C 56