USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=25 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 -17:sc= -0.291 USER MOD Set 1.2: C 50 HIS : no HE2:sc= -2.68 X(o=-3,f=-2.7) USER MOD Set 2.1: A 35 HIS : no HD1:sc=-0.00318 X(o=-0.0032,f=-0.013) USER MOD Set 2.2: B 23 ASN : amide:sc= 0 X(o=-0.0032,f=0.026) USER MOD Set 3.1: A 21 ASN : amide:sc= -4.74! C(o=-5.9!,f=-11!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -1.13 F(o=-10!,f=-5.9) USER MOD Single : A 18 TYR OH : rot 180:sc= -3.54! USER MOD Single : A 23 ASN : amide:sc= -3.69! X(o=-3.7!,f=-3.8) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.936 F(o=-2.1!,f=-0.94) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 33 SER OG : rot 81:sc= 0.431 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -2.05! C(o=-2!,f=-6.9!) USER MOD Single : A 41 SER OG : rot -113:sc= 0.972 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.539 F(o=-3.3!,f=-0.54) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0351) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.777) USER MOD Single : A 55 GLN : amide:sc= -0.551 K(o=-0.55,f=-1.7) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= -0.048 USER MOD Single : B 21 ASN : amide:sc= -3.61 X(o=-3.6,f=-3.5) USER MOD Single : B 26 GLN :FLIP amide:sc= -0.424 F(o=-4.9!,f=-0.42) USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 35 HIS : no HD1:sc= -0.856 X(o=-0.86,f=-0.89) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc=-0.00888 X(o=-0.0089,f=0) USER MOD Single : B 41 SER OG : rot -139:sc= 1.2 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 172:sc= -0.0186 (180deg=-0.0657) USER MOD Single : B 50 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.14) USER MOD Single : B 52 ASN : amide:sc= -4.74! C(o=-4.7!,f=-12!) USER MOD Single : B 55 GLN :FLIP amide:sc= -0.913 F(o=-2.3,f=-0.91) USER MOD Single : B 58 LYS NZ :NH3+ -164:sc= -0.0316 (180deg=-0.272) USER MOD Single : C 42 SER OG : rot 180:sc= -0.479 USER MOD Single : C 43 LYS NZ :NH3+ -166:sc=-0.00423 (180deg=-0.211) USER MOD Single : C 44 THR OG1 : rot 180:sc= 0.271 USER MOD Single : C 45 LYS NZ :NH3+ -170:sc=-0.00486 (180deg=-0.143) USER MOD Single : C 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 13 -12.056 -1.718 -12.522 1.00 2.62 N ATOM 2 CA ASP A 13 -11.740 -3.159 -12.345 1.00 1.91 C ATOM 3 C ASP A 13 -10.239 -3.380 -12.455 1.00 1.47 C ATOM 4 O ASP A 13 -9.671 -3.289 -13.544 1.00 2.03 O ATOM 5 CB ASP A 13 -12.458 -4.006 -13.399 1.00 2.11 C ATOM 6 CG ASP A 13 -13.954 -3.779 -13.411 1.00 2.62 C ATOM 7 OD1 ASP A 13 -14.404 -2.822 -14.068 1.00 3.14 O ATOM 8 OD2 ASP A 13 -14.690 -4.550 -12.761 1.00 3.19 O ATOM 0 HA ASP A 13 -12.083 -3.464 -11.356 1.00 1.91 H new ATOM 0 HB2 ASP A 13 -12.052 -3.774 -14.384 1.00 2.11 H new ATOM 0 HB3 ASP A 13 -12.256 -5.060 -13.211 1.00 2.11 H new ATOM 15 N GLY A 14 -9.599 -3.672 -11.329 1.00 0.76 N ATOM 16 CA GLY A 14 -8.157 -3.812 -11.307 1.00 0.80 C ATOM 17 C GLY A 14 -7.476 -2.494 -11.574 1.00 0.66 C ATOM 18 O GLY A 14 -6.650 -2.383 -12.475 1.00 0.96 O ATOM 0 H GLY A 14 -10.056 -3.815 -10.428 1.00 0.76 H new ATOM 0 HA2 GLY A 14 -7.841 -4.197 -10.337 1.00 0.80 H new ATOM 0 HA3 GLY A 14 -7.849 -4.542 -12.056 1.00 0.80 H new ATOM 22 N GLU A 15 -7.832 -1.492 -10.785 1.00 0.31 N ATOM 23 CA GLU A 15 -7.364 -0.135 -11.018 1.00 0.18 C ATOM 24 C GLU A 15 -6.766 0.459 -9.753 1.00 0.13 C ATOM 25 O GLU A 15 -7.123 0.069 -8.645 1.00 0.17 O ATOM 26 CB GLU A 15 -8.520 0.705 -11.545 1.00 0.24 C ATOM 27 CG GLU A 15 -9.474 1.212 -10.491 1.00 0.30 C ATOM 28 CD GLU A 15 -10.718 1.826 -11.098 1.00 0.58 C ATOM 29 OE1 GLU A 15 -11.671 1.071 -11.386 1.00 0.94 O ATOM 30 OE2 GLU A 15 -10.752 3.059 -11.297 1.00 1.58 O ATOM 0 H GLU A 15 -8.445 -1.594 -9.976 1.00 0.31 H new ATOM 0 HA GLU A 15 -6.570 -0.146 -11.765 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -8.112 1.559 -12.085 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -9.082 0.111 -12.266 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -9.759 0.390 -9.835 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -8.969 1.954 -9.872 1.00 0.30 H new ATOM 37 N ILE A 16 -5.851 1.395 -9.923 1.00 0.12 N ATOM 38 CA ILE A 16 -5.064 1.895 -8.809 1.00 0.11 C ATOM 39 C ILE A 16 -5.577 3.231 -8.290 1.00 0.10 C ATOM 40 O ILE A 16 -6.080 4.063 -9.044 1.00 0.14 O ATOM 41 CB ILE A 16 -3.587 2.081 -9.199 1.00 0.12 C ATOM 42 CG1 ILE A 16 -3.063 0.856 -9.948 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.751 2.333 -7.952 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.536 -0.215 -9.037 1.00 0.12 C ATOM 0 H ILE A 16 -5.634 1.825 -10.822 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.157 1.142 -8.027 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.510 2.943 -9.862 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -3.865 0.442 -10.559 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.271 1.166 -10.629 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.706 2.464 -8.235 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.107 3.233 -7.451 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.840 1.482 -7.276 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.180 -1.056 -9.632 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.713 0.184 -8.444 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.332 -0.552 -8.373 1.00 0.12 H new ATOM 56 N PHE A 17 -5.424 3.409 -6.989 1.00 0.09 N ATOM 57 CA PHE A 17 -5.724 4.655 -6.307 1.00 0.09 C ATOM 58 C PHE A 17 -4.654 4.926 -5.260 1.00 0.07 C ATOM 59 O PHE A 17 -4.568 4.212 -4.271 1.00 0.07 O ATOM 60 CB PHE A 17 -7.096 4.567 -5.639 1.00 0.09 C ATOM 61 CG PHE A 17 -8.223 4.545 -6.625 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.678 5.720 -7.200 1.00 1.24 C ATOM 63 CD2 PHE A 17 -8.818 3.349 -6.988 1.00 1.11 C ATOM 64 CE1 PHE A 17 -9.708 5.702 -8.118 1.00 1.28 C ATOM 65 CE2 PHE A 17 -9.846 3.326 -7.906 1.00 1.09 C ATOM 66 CZ PHE A 17 -10.291 4.503 -8.473 1.00 0.22 C ATOM 0 H PHE A 17 -5.081 2.678 -6.366 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.738 5.470 -7.031 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.139 3.667 -5.025 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.223 5.417 -4.968 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -8.222 6.660 -6.927 1.00 1.24 H new ATOM 0 HD2 PHE A 17 -8.473 2.425 -6.548 1.00 1.11 H new ATOM 0 HE1 PHE A 17 -10.057 6.625 -8.558 1.00 1.28 H new ATOM 0 HE2 PHE A 17 -10.303 2.387 -8.182 1.00 1.09 H new ATOM 0 HZ PHE A 17 -11.095 4.485 -9.194 1.00 0.22 H new ATOM 76 N TYR A 18 -3.813 5.922 -5.490 1.00 0.07 N ATOM 77 CA TYR A 18 -2.731 6.218 -4.556 1.00 0.06 C ATOM 78 C TYR A 18 -3.206 7.115 -3.423 1.00 0.07 C ATOM 79 O TYR A 18 -4.024 8.013 -3.629 1.00 0.09 O ATOM 80 CB TYR A 18 -1.556 6.877 -5.272 1.00 0.06 C ATOM 81 CG TYR A 18 -1.088 6.112 -6.485 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.283 4.983 -6.359 1.00 1.19 C ATOM 83 CD2 TYR A 18 -1.457 6.519 -7.755 1.00 1.15 C ATOM 84 CE1 TYR A 18 0.140 4.283 -7.475 1.00 1.20 C ATOM 85 CE2 TYR A 18 -1.042 5.831 -8.870 1.00 1.16 C ATOM 86 CZ TYR A 18 -0.247 4.716 -8.731 1.00 0.09 C ATOM 87 OH TYR A 18 0.166 4.043 -9.854 1.00 0.10 O ATOM 0 H TYR A 18 -3.855 6.534 -6.305 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.402 5.268 -4.133 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.843 7.884 -5.575 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.726 6.979 -4.573 1.00 0.06 H new ATOM 0 HD1 TYR A 18 0.015 4.649 -5.376 1.00 1.19 H new ATOM 0 HD2 TYR A 18 -2.082 7.392 -7.872 1.00 1.15 H new ATOM 0 HE1 TYR A 18 0.765 3.409 -7.367 1.00 1.20 H new ATOM 0 HE2 TYR A 18 -1.339 6.165 -9.853 1.00 1.16 H new ATOM 0 HH TYR A 18 -0.198 4.482 -10.651 1.00 0.10 H new ATOM 97 N LEU A 19 -2.684 6.868 -2.228 1.00 0.07 N ATOM 98 CA LEU A 19 -2.993 7.686 -1.069 1.00 0.08 C ATOM 99 C LEU A 19 -1.688 8.171 -0.443 1.00 0.11 C ATOM 100 O LEU A 19 -1.329 7.747 0.653 1.00 0.12 O ATOM 101 CB LEU A 19 -3.770 6.896 -0.002 1.00 0.07 C ATOM 102 CG LEU A 19 -5.062 6.173 -0.426 1.00 0.07 C ATOM 103 CD1 LEU A 19 -5.987 7.092 -1.197 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.773 4.908 -1.213 1.00 0.08 C ATOM 0 H LEU A 19 -2.040 6.100 -2.039 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.611 8.519 -1.404 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.094 6.151 0.418 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.024 7.586 0.803 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.572 5.877 0.491 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -6.888 6.548 -1.480 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.258 7.943 -0.572 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.481 7.448 -2.095 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.712 4.430 -1.492 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.213 5.160 -2.114 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.186 4.224 -0.600 1.00 0.08 H new ATOM 116 N PRO A 20 -0.967 9.082 -1.111 1.00 0.13 N ATOM 117 CA PRO A 20 0.358 9.513 -0.659 1.00 0.16 C ATOM 118 C PRO A 20 0.302 10.525 0.471 1.00 0.22 C ATOM 119 O PRO A 20 1.305 11.150 0.809 1.00 0.28 O ATOM 120 CB PRO A 20 0.940 10.173 -1.893 1.00 0.16 C ATOM 121 CG PRO A 20 -0.242 10.729 -2.612 1.00 0.16 C ATOM 122 CD PRO A 20 -1.370 9.765 -2.356 1.00 0.13 C ATOM 0 HA PRO A 20 0.936 8.676 -0.267 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.648 10.958 -1.627 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.478 9.454 -2.511 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.489 11.726 -2.246 1.00 0.16 H new ATOM 0 HG3 PRO A 20 -0.042 10.822 -3.679 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.322 10.283 -2.239 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.490 9.061 -3.179 1.00 0.13 H new ATOM 130 N ASN A 21 -0.869 10.690 1.047 1.00 0.22 N ATOM 131 CA ASN A 21 -1.057 11.686 2.093 1.00 0.27 C ATOM 132 C ASN A 21 -1.309 11.018 3.422 1.00 0.25 C ATOM 133 O ASN A 21 -0.955 11.542 4.477 1.00 0.31 O ATOM 134 CB ASN A 21 -2.209 12.645 1.761 1.00 0.30 C ATOM 135 CG ASN A 21 -3.292 12.048 0.899 1.00 0.54 C ATOM 136 OD1 ASN A 21 -3.595 10.855 0.964 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.861 12.888 0.050 1.00 0.35 N ATOM 0 H ASN A 21 -1.704 10.153 0.814 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.139 12.270 2.155 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -2.655 12.993 2.693 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -1.802 13.521 1.256 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -4.584 12.556 -0.588 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -3.576 13.867 0.034 1.00 0.35 H new ATOM 144 N LEU A 22 -1.881 9.841 3.350 1.00 0.18 N ATOM 145 CA LEU A 22 -2.319 9.127 4.531 1.00 0.17 C ATOM 146 C LEU A 22 -1.111 8.581 5.281 1.00 0.20 C ATOM 147 O LEU A 22 -0.288 7.867 4.711 1.00 0.35 O ATOM 148 CB LEU A 22 -3.279 8.010 4.105 1.00 0.14 C ATOM 149 CG LEU A 22 -4.371 8.481 3.141 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.420 7.415 2.885 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.016 9.746 3.664 1.00 0.11 C ATOM 0 H LEU A 22 -2.057 9.349 2.474 1.00 0.18 H new ATOM 0 HA LEU A 22 -2.848 9.797 5.209 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.708 7.211 3.633 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.747 7.585 4.993 1.00 0.14 H new ATOM 0 HG LEU A 22 -3.891 8.688 2.184 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.170 7.801 2.195 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -4.946 6.535 2.450 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -5.898 7.142 3.826 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -5.791 10.073 2.971 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.460 9.551 4.640 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.261 10.527 3.758 1.00 0.11 H new ATOM 163 N ASN A 23 -0.979 8.960 6.546 1.00 0.17 N ATOM 164 CA ASN A 23 0.138 8.499 7.357 1.00 0.20 C ATOM 165 C ASN A 23 0.057 6.996 7.552 1.00 0.24 C ATOM 166 O ASN A 23 -1.031 6.432 7.461 1.00 0.34 O ATOM 167 CB ASN A 23 0.190 9.233 8.708 1.00 0.33 C ATOM 168 CG ASN A 23 -1.082 9.130 9.523 1.00 0.66 C ATOM 169 OD1 ASN A 23 -2.007 9.920 9.345 1.00 1.47 O ATOM 170 ND2 ASN A 23 -1.120 8.194 10.456 1.00 0.99 N ATOM 0 H ASN A 23 -1.628 9.581 7.029 1.00 0.17 H new ATOM 0 HA ASN A 23 1.063 8.730 6.829 1.00 0.20 H new ATOM 0 HB2 ASN A 23 1.017 8.832 9.294 1.00 0.33 H new ATOM 0 HB3 ASN A 23 0.408 10.286 8.528 1.00 0.33 H new ATOM 0 HD21 ASN A 23 -1.938 8.109 11.060 1.00 0.99 H new ATOM 0 HD22 ASN A 23 -0.332 7.557 10.572 1.00 0.99 H new ATOM 177 N PRO A 24 1.204 6.330 7.778 1.00 0.22 N ATOM 178 CA PRO A 24 1.284 4.866 7.889 1.00 0.23 C ATOM 179 C PRO A 24 0.124 4.244 8.667 1.00 0.23 C ATOM 180 O PRO A 24 -0.392 3.201 8.280 1.00 0.23 O ATOM 181 CB PRO A 24 2.599 4.674 8.638 1.00 0.25 C ATOM 182 CG PRO A 24 3.457 5.767 8.114 1.00 0.24 C ATOM 183 CD PRO A 24 2.539 6.949 7.938 1.00 0.22 C ATOM 0 HA PRO A 24 1.232 4.378 6.916 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.462 4.753 9.717 1.00 0.25 H new ATOM 0 HB3 PRO A 24 3.033 3.694 8.442 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.266 5.998 8.807 1.00 0.24 H new ATOM 0 HG3 PRO A 24 3.919 5.484 7.168 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.572 7.614 8.801 1.00 0.22 H new ATOM 0 HD3 PRO A 24 2.813 7.543 7.066 1.00 0.22 H new ATOM 191 N ASP A 25 -0.310 4.910 9.731 1.00 0.22 N ATOM 192 CA ASP A 25 -1.394 4.392 10.560 1.00 0.23 C ATOM 193 C ASP A 25 -2.699 4.355 9.773 1.00 0.24 C ATOM 194 O ASP A 25 -3.420 3.359 9.798 1.00 0.27 O ATOM 195 CB ASP A 25 -1.567 5.236 11.823 1.00 0.28 C ATOM 196 CG ASP A 25 -2.781 4.822 12.630 1.00 0.97 C ATOM 197 OD1 ASP A 25 -2.713 3.790 13.331 1.00 1.66 O ATOM 198 OD2 ASP A 25 -3.808 5.529 12.570 1.00 1.67 O ATOM 0 H ASP A 25 0.069 5.805 10.040 1.00 0.22 H new ATOM 0 HA ASP A 25 -1.133 3.376 10.857 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -0.674 5.147 12.442 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -1.659 6.286 11.546 1.00 0.28 H new ATOM 203 N GLN A 26 -2.979 5.435 9.050 1.00 0.23 N ATOM 204 CA GLN A 26 -4.176 5.510 8.216 1.00 0.25 C ATOM 205 C GLN A 26 -4.086 4.489 7.097 1.00 0.25 C ATOM 206 O GLN A 26 -5.013 3.719 6.845 1.00 0.26 O ATOM 207 CB GLN A 26 -4.281 6.891 7.592 1.00 0.26 C ATOM 208 CG GLN A 26 -4.079 8.015 8.575 1.00 0.29 C ATOM 209 CD GLN A 26 -5.311 8.309 9.402 1.00 0.31 C ATOM 210 OE1 GLN A 26 -6.151 9.194 8.899 1.00 0.59 O flip ATOM 211 NE2 GLN A 26 -5.506 7.748 10.475 1.00 0.21 N flip ATOM 0 H GLN A 26 -2.394 6.270 9.024 1.00 0.23 H new ATOM 0 HA GLN A 26 -5.049 5.311 8.838 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.541 6.978 6.796 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.262 6.997 7.128 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -3.253 7.763 9.241 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.789 8.915 8.034 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -4.830 7.070 10.826 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -6.344 7.959 11.016 1.00 0.21 H new ATOM 220 N LEU A 27 -2.945 4.516 6.430 1.00 0.24 N ATOM 221 CA LEU A 27 -2.665 3.637 5.303 1.00 0.25 C ATOM 222 C LEU A 27 -2.762 2.163 5.715 1.00 0.23 C ATOM 223 O LEU A 27 -3.300 1.337 4.978 1.00 0.25 O ATOM 224 CB LEU A 27 -1.272 3.981 4.747 1.00 0.28 C ATOM 225 CG LEU A 27 -1.142 4.078 3.228 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.477 3.904 2.521 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.533 5.415 2.874 1.00 0.23 C ATOM 0 H LEU A 27 -2.180 5.152 6.655 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.410 3.791 4.522 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.960 4.933 5.176 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.569 3.227 5.101 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.499 3.266 2.889 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.331 3.981 1.444 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.891 2.925 2.762 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.167 4.681 2.850 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.435 5.495 1.791 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -1.175 6.216 3.241 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.451 5.500 3.334 1.00 0.23 H new ATOM 239 N CYS A 28 -2.258 1.848 6.903 1.00 0.21 N ATOM 240 CA CYS A 28 -2.349 0.497 7.450 1.00 0.22 C ATOM 241 C CYS A 28 -3.797 0.134 7.752 1.00 0.21 C ATOM 242 O CYS A 28 -4.262 -0.958 7.410 1.00 0.22 O ATOM 243 CB CYS A 28 -1.514 0.382 8.728 1.00 0.26 C ATOM 244 SG CYS A 28 -1.491 -1.288 9.461 1.00 0.32 S ATOM 0 H CYS A 28 -1.779 2.514 7.510 1.00 0.21 H new ATOM 0 HA CYS A 28 -1.960 -0.196 6.704 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.490 0.684 8.507 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.901 1.085 9.466 1.00 0.26 H new ATOM 249 N ALA A 29 -4.504 1.071 8.378 1.00 0.21 N ATOM 250 CA ALA A 29 -5.880 0.855 8.801 1.00 0.22 C ATOM 251 C ALA A 29 -6.775 0.470 7.634 1.00 0.17 C ATOM 252 O ALA A 29 -7.741 -0.281 7.812 1.00 0.18 O ATOM 253 CB ALA A 29 -6.425 2.096 9.489 1.00 0.24 C ATOM 0 H ALA A 29 -4.139 1.996 8.604 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.878 0.025 9.507 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -7.455 1.918 9.799 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.817 2.323 10.364 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -6.395 2.938 8.798 1.00 0.24 H new ATOM 259 N PHE A 30 -6.456 0.973 6.441 1.00 0.13 N ATOM 260 CA PHE A 30 -7.273 0.685 5.275 1.00 0.10 C ATOM 261 C PHE A 30 -7.324 -0.820 5.011 1.00 0.09 C ATOM 262 O PHE A 30 -8.389 -1.418 5.127 1.00 0.09 O ATOM 263 CB PHE A 30 -6.729 1.459 4.048 1.00 0.10 C ATOM 264 CG PHE A 30 -7.168 0.943 2.688 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.352 0.238 2.528 1.00 1.16 C ATOM 266 CD2 PHE A 30 -6.375 1.150 1.567 1.00 1.18 C ATOM 267 CE1 PHE A 30 -8.731 -0.247 1.292 1.00 1.15 C ATOM 268 CE2 PHE A 30 -6.758 0.667 0.332 1.00 1.18 C ATOM 269 CZ PHE A 30 -7.933 -0.032 0.197 1.00 0.06 C ATOM 0 H PHE A 30 -5.650 1.572 6.263 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.294 1.017 5.463 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -7.036 2.501 4.136 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.640 1.443 4.087 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -8.988 0.066 3.384 1.00 1.16 H new ATOM 0 HD2 PHE A 30 -5.448 1.695 1.663 1.00 1.18 H new ATOM 0 HE1 PHE A 30 -9.655 -0.795 1.187 1.00 1.15 H new ATOM 0 HE2 PHE A 30 -6.132 0.839 -0.531 1.00 1.18 H new ATOM 0 HZ PHE A 30 -8.228 -0.412 -0.770 1.00 0.06 H new ATOM 279 N PHE A 31 -6.179 -1.456 4.773 1.00 0.10 N ATOM 280 CA PHE A 31 -6.189 -2.866 4.388 1.00 0.10 C ATOM 281 C PHE A 31 -6.423 -3.752 5.597 1.00 0.11 C ATOM 282 O PHE A 31 -6.835 -4.896 5.461 1.00 0.12 O ATOM 283 CB PHE A 31 -4.898 -3.303 3.704 1.00 0.11 C ATOM 284 CG PHE A 31 -4.437 -2.411 2.582 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.677 -1.279 2.836 1.00 0.98 C ATOM 286 CD2 PHE A 31 -4.748 -2.721 1.270 1.00 0.94 C ATOM 287 CE1 PHE A 31 -3.242 -0.473 1.798 1.00 0.98 C ATOM 288 CE2 PHE A 31 -4.318 -1.921 0.230 1.00 0.94 C ATOM 289 CZ PHE A 31 -3.563 -0.795 0.492 1.00 0.12 C ATOM 0 H PHE A 31 -5.254 -1.031 4.837 1.00 0.10 H new ATOM 0 HA PHE A 31 -7.005 -2.976 3.674 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.108 -3.356 4.453 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -5.035 -4.311 3.313 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.422 -1.024 3.854 1.00 0.98 H new ATOM 0 HD2 PHE A 31 -5.336 -3.602 1.056 1.00 0.94 H new ATOM 0 HE1 PHE A 31 -2.652 0.407 2.008 1.00 0.98 H new ATOM 0 HE2 PHE A 31 -4.572 -2.176 -0.788 1.00 0.94 H new ATOM 0 HZ PHE A 31 -3.225 -0.168 -0.320 1.00 0.12 H new ATOM 299 N HIS A 32 -6.146 -3.223 6.778 1.00 0.11 N ATOM 300 CA HIS A 32 -6.307 -3.990 8.009 1.00 0.12 C ATOM 301 C HIS A 32 -7.771 -4.387 8.168 1.00 0.12 C ATOM 302 O HIS A 32 -8.092 -5.493 8.600 1.00 0.15 O ATOM 303 CB HIS A 32 -5.832 -3.174 9.215 1.00 0.15 C ATOM 304 CG HIS A 32 -5.691 -3.974 10.474 1.00 0.23 C ATOM 305 ND1 HIS A 32 -6.555 -3.859 11.540 1.00 1.09 N ATOM 306 CD2 HIS A 32 -4.772 -4.899 10.837 1.00 1.05 C ATOM 307 CE1 HIS A 32 -6.175 -4.678 12.502 1.00 0.81 C ATOM 308 NE2 HIS A 32 -5.096 -5.321 12.101 1.00 0.65 N ATOM 0 H HIS A 32 -5.810 -2.270 6.913 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.697 -4.892 7.955 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -4.871 -2.718 8.977 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.536 -2.360 9.390 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -3.938 -5.241 10.242 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -6.665 -4.801 13.457 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -4.586 -6.019 12.643 1.00 0.65 H new ATOM 317 N SER A 33 -8.642 -3.470 7.783 1.00 0.11 N ATOM 318 CA SER A 33 -10.074 -3.701 7.792 1.00 0.13 C ATOM 319 C SER A 33 -10.456 -4.583 6.614 1.00 0.12 C ATOM 320 O SER A 33 -11.254 -5.515 6.731 1.00 0.14 O ATOM 321 CB SER A 33 -10.806 -2.361 7.711 1.00 0.15 C ATOM 322 OG SER A 33 -10.356 -1.478 8.732 1.00 0.22 O ATOM 0 H SER A 33 -8.374 -2.542 7.455 1.00 0.11 H new ATOM 0 HA SER A 33 -10.359 -4.205 8.715 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.640 -1.909 6.733 1.00 0.15 H new ATOM 0 HB3 SER A 33 -11.880 -2.521 7.809 1.00 0.15 H new ATOM 0 HG SER A 33 -9.513 -1.061 8.456 1.00 0.22 H new ATOM 328 N VAL A 34 -9.851 -4.260 5.481 1.00 0.10 N ATOM 329 CA VAL A 34 -10.092 -4.943 4.216 1.00 0.11 C ATOM 330 C VAL A 34 -9.775 -6.423 4.297 1.00 0.13 C ATOM 331 O VAL A 34 -10.596 -7.264 3.966 1.00 0.15 O ATOM 332 CB VAL A 34 -9.221 -4.348 3.095 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.499 -5.026 1.791 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.430 -2.868 2.949 1.00 0.08 C ATOM 0 H VAL A 34 -9.169 -3.505 5.412 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.151 -4.806 3.999 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.182 -4.518 3.376 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -8.872 -4.590 1.013 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.279 -6.090 1.880 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.549 -4.893 1.528 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.797 -2.488 2.147 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.475 -2.670 2.710 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.170 -2.370 3.883 1.00 0.08 H new ATOM 344 N HIS A 35 -8.571 -6.725 4.724 1.00 0.14 N ATOM 345 CA HIS A 35 -8.067 -8.091 4.695 1.00 0.17 C ATOM 346 C HIS A 35 -8.848 -8.985 5.648 1.00 0.18 C ATOM 347 O HIS A 35 -8.983 -10.189 5.417 1.00 0.21 O ATOM 348 CB HIS A 35 -6.571 -8.101 5.012 1.00 0.20 C ATOM 349 CG HIS A 35 -5.916 -9.442 4.859 1.00 0.36 C ATOM 350 ND1 HIS A 35 -5.246 -9.824 3.717 1.00 1.40 N ATOM 351 CD2 HIS A 35 -5.824 -10.488 5.714 1.00 0.85 C ATOM 352 CE1 HIS A 35 -4.773 -11.047 3.875 1.00 1.25 C ATOM 353 NE2 HIS A 35 -5.111 -11.470 5.077 1.00 0.55 N ATOM 0 H HIS A 35 -7.913 -6.042 5.099 1.00 0.14 H new ATOM 0 HA HIS A 35 -8.207 -8.495 3.693 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -6.068 -7.388 4.359 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.426 -7.754 6.035 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -6.235 -10.539 6.711 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -4.206 -11.605 3.144 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -4.879 -12.382 5.470 1.00 0.55 H new ATOM 362 N ASP A 36 -9.359 -8.388 6.711 1.00 0.17 N ATOM 363 CA ASP A 36 -10.201 -9.098 7.665 1.00 0.18 C ATOM 364 C ASP A 36 -11.457 -9.631 6.983 1.00 0.19 C ATOM 365 O ASP A 36 -12.018 -10.650 7.391 1.00 0.21 O ATOM 366 CB ASP A 36 -10.569 -8.174 8.828 1.00 0.20 C ATOM 367 CG ASP A 36 -11.619 -8.765 9.747 1.00 0.65 C ATOM 368 OD1 ASP A 36 -11.361 -9.825 10.355 1.00 1.26 O ATOM 369 OD2 ASP A 36 -12.709 -8.169 9.867 1.00 1.51 O ATOM 0 H ASP A 36 -9.205 -7.406 6.938 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.644 -9.949 8.057 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -9.672 -7.952 9.406 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -10.934 -7.227 8.430 1.00 0.20 H new ATOM 374 N ASP A 37 -11.858 -8.959 5.915 1.00 0.19 N ATOM 375 CA ASP A 37 -13.092 -9.287 5.205 1.00 0.24 C ATOM 376 C ASP A 37 -13.206 -8.419 3.963 1.00 0.23 C ATOM 377 O ASP A 37 -13.720 -7.303 4.018 1.00 0.25 O ATOM 378 CB ASP A 37 -14.324 -9.092 6.095 1.00 0.31 C ATOM 379 CG ASP A 37 -15.581 -9.648 5.453 1.00 0.53 C ATOM 380 OD1 ASP A 37 -15.779 -10.882 5.492 1.00 1.18 O ATOM 381 OD2 ASP A 37 -16.372 -8.860 4.898 1.00 1.28 O ATOM 0 H ASP A 37 -11.343 -8.175 5.515 1.00 0.19 H new ATOM 0 HA ASP A 37 -13.053 -10.339 4.921 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -14.160 -9.582 7.055 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.460 -8.030 6.299 1.00 0.31 H new ATOM 386 N PRO A 38 -12.701 -8.917 2.827 1.00 0.23 N ATOM 387 CA PRO A 38 -12.567 -8.139 1.582 1.00 0.25 C ATOM 388 C PRO A 38 -13.897 -7.656 0.991 1.00 0.29 C ATOM 389 O PRO A 38 -13.917 -7.019 -0.061 1.00 0.34 O ATOM 390 CB PRO A 38 -11.867 -9.118 0.632 1.00 0.28 C ATOM 391 CG PRO A 38 -11.216 -10.104 1.537 1.00 0.28 C ATOM 392 CD PRO A 38 -12.179 -10.282 2.663 1.00 0.26 C ATOM 0 HA PRO A 38 -12.021 -7.212 1.757 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.579 -9.601 -0.037 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -11.135 -8.609 0.005 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -11.028 -11.047 1.024 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -10.253 -9.738 1.894 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -12.967 -10.995 2.419 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -11.689 -10.644 3.567 1.00 0.26 H new ATOM 400 N SER A 39 -14.997 -7.936 1.673 1.00 0.28 N ATOM 401 CA SER A 39 -16.308 -7.482 1.234 1.00 0.33 C ATOM 402 C SER A 39 -16.480 -5.974 1.454 1.00 0.36 C ATOM 403 O SER A 39 -17.381 -5.356 0.891 1.00 0.59 O ATOM 404 CB SER A 39 -17.397 -8.252 1.977 1.00 0.34 C ATOM 405 OG SER A 39 -17.268 -9.647 1.756 1.00 1.19 O ATOM 0 H SER A 39 -15.008 -8.478 2.537 1.00 0.28 H new ATOM 0 HA SER A 39 -16.395 -7.674 0.164 1.00 0.33 H new ATOM 0 HB2 SER A 39 -17.334 -8.041 3.045 1.00 0.34 H new ATOM 0 HB3 SER A 39 -18.379 -7.916 1.643 1.00 0.34 H new ATOM 0 HG SER A 39 -17.974 -10.122 2.242 1.00 1.19 H new ATOM 411 N GLN A 40 -15.607 -5.381 2.263 1.00 0.22 N ATOM 412 CA GLN A 40 -15.682 -3.947 2.542 1.00 0.21 C ATOM 413 C GLN A 40 -14.553 -3.173 1.864 1.00 0.16 C ATOM 414 O GLN A 40 -14.481 -1.957 1.968 1.00 0.16 O ATOM 415 CB GLN A 40 -15.652 -3.699 4.041 1.00 0.23 C ATOM 416 CG GLN A 40 -14.653 -4.571 4.764 1.00 0.21 C ATOM 417 CD GLN A 40 -14.640 -4.317 6.237 1.00 0.67 C ATOM 418 OE1 GLN A 40 -13.987 -3.414 6.754 1.00 1.09 O ATOM 419 NE2 GLN A 40 -15.329 -5.169 6.900 1.00 0.97 N ATOM 0 H GLN A 40 -14.844 -5.866 2.735 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.625 -3.586 2.132 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.412 -2.652 4.226 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.646 -3.876 4.453 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -14.889 -5.619 4.580 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -13.657 -4.393 4.358 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -15.850 -5.896 6.410 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -15.357 -5.121 7.918 1.00 0.97 H new ATOM 428 N SER A 41 -13.697 -3.899 1.171 1.00 0.15 N ATOM 429 CA SER A 41 -12.541 -3.364 0.473 1.00 0.13 C ATOM 430 C SER A 41 -12.862 -2.107 -0.336 1.00 0.11 C ATOM 431 O SER A 41 -12.212 -1.086 -0.160 1.00 0.11 O ATOM 432 CB SER A 41 -11.985 -4.453 -0.440 1.00 0.18 C ATOM 433 OG SER A 41 -12.958 -4.888 -1.374 1.00 0.82 O ATOM 0 H SER A 41 -13.789 -4.910 1.074 1.00 0.15 H new ATOM 0 HA SER A 41 -11.803 -3.065 1.217 1.00 0.13 H new ATOM 0 HB2 SER A 41 -11.112 -4.074 -0.971 1.00 0.18 H new ATOM 0 HB3 SER A 41 -11.651 -5.299 0.161 1.00 0.18 H new ATOM 0 HG SER A 41 -13.203 -5.817 -1.182 1.00 0.82 H new ATOM 439 N ALA A 42 -13.861 -2.183 -1.209 1.00 0.13 N ATOM 440 CA ALA A 42 -14.242 -1.049 -2.051 1.00 0.13 C ATOM 441 C ALA A 42 -14.643 0.153 -1.201 1.00 0.12 C ATOM 442 O ALA A 42 -14.309 1.295 -1.514 1.00 0.12 O ATOM 443 CB ALA A 42 -15.385 -1.443 -2.970 1.00 0.18 C ATOM 0 H ALA A 42 -14.425 -3.021 -1.354 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.379 -0.767 -2.654 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.661 -0.592 -3.593 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -15.072 -2.271 -3.606 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -16.244 -1.749 -2.372 1.00 0.18 H new ATOM 449 N ASN A 43 -15.340 -0.132 -0.114 1.00 0.12 N ATOM 450 CA ASN A 43 -15.790 0.889 0.832 1.00 0.13 C ATOM 451 C ASN A 43 -14.597 1.487 1.535 1.00 0.10 C ATOM 452 O ASN A 43 -14.512 2.689 1.778 1.00 0.11 O ATOM 453 CB ASN A 43 -16.683 0.258 1.899 1.00 0.16 C ATOM 454 CG ASN A 43 -17.860 -0.483 1.323 1.00 0.18 C ATOM 455 OD1 ASN A 43 -17.680 -1.773 1.130 1.00 0.20 O flip ATOM 456 ND2 ASN A 43 -18.919 0.091 1.064 1.00 0.20 N flip ATOM 0 H ASN A 43 -15.614 -1.080 0.143 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.339 1.652 0.279 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.089 -0.429 2.502 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -17.045 1.038 2.569 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -19.010 1.093 1.231 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -19.705 -0.436 0.683 1.00 0.20 H new ATOM 463 N LEU A 44 -13.686 0.605 1.861 1.00 0.09 N ATOM 464 CA LEU A 44 -12.527 0.930 2.646 1.00 0.08 C ATOM 465 C LEU A 44 -11.581 1.781 1.833 1.00 0.07 C ATOM 466 O LEU A 44 -11.072 2.808 2.276 1.00 0.08 O ATOM 467 CB LEU A 44 -11.861 -0.369 3.074 1.00 0.08 C ATOM 468 CG LEU A 44 -12.165 -0.826 4.493 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.442 -0.197 5.032 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.286 -2.325 4.492 1.00 0.12 C ATOM 0 H LEU A 44 -13.732 -0.375 1.582 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.811 1.499 3.531 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.165 -1.157 2.385 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.782 -0.254 2.971 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.353 -0.507 5.146 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.621 -0.551 6.047 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.338 0.888 5.038 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.282 -0.478 4.397 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.504 -2.673 5.502 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.093 -2.624 3.823 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.349 -2.765 4.151 1.00 0.12 H new ATOM 482 N LEU A 45 -11.376 1.303 0.630 1.00 0.07 N ATOM 483 CA LEU A 45 -10.615 1.973 -0.399 1.00 0.07 C ATOM 484 C LEU A 45 -11.201 3.368 -0.610 1.00 0.07 C ATOM 485 O LEU A 45 -10.481 4.353 -0.699 1.00 0.08 O ATOM 486 CB LEU A 45 -10.766 1.090 -1.631 1.00 0.07 C ATOM 487 CG LEU A 45 -9.905 1.361 -2.867 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.794 1.282 -4.080 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.144 2.679 -2.811 1.00 0.08 C ATOM 0 H LEU A 45 -11.748 0.403 0.328 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.562 2.109 -0.154 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.576 0.062 -1.321 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.809 1.141 -1.943 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.125 0.601 -2.913 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.204 1.472 -4.977 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.238 0.289 -4.141 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.584 2.029 -4.001 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.557 2.799 -3.722 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.851 3.504 -2.723 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.478 2.678 -1.948 1.00 0.08 H new ATOM 501 N ALA A 46 -12.522 3.431 -0.662 1.00 0.08 N ATOM 502 CA ALA A 46 -13.248 4.687 -0.754 1.00 0.09 C ATOM 503 C ALA A 46 -12.876 5.654 0.365 1.00 0.09 C ATOM 504 O ALA A 46 -12.576 6.803 0.102 1.00 0.11 O ATOM 505 CB ALA A 46 -14.721 4.395 -0.708 1.00 0.10 C ATOM 0 H ALA A 46 -13.124 2.608 -0.641 1.00 0.08 H new ATOM 0 HA ALA A 46 -12.979 5.169 -1.694 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.279 5.329 -0.776 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -14.990 3.749 -1.544 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -14.964 3.895 0.230 1.00 0.10 H new ATOM 511 N GLU A 47 -12.902 5.182 1.606 1.00 0.09 N ATOM 512 CA GLU A 47 -12.555 5.985 2.758 1.00 0.10 C ATOM 513 C GLU A 47 -11.088 6.352 2.711 1.00 0.09 C ATOM 514 O GLU A 47 -10.685 7.376 3.238 1.00 0.09 O ATOM 515 CB GLU A 47 -12.872 5.232 4.046 1.00 0.11 C ATOM 516 CG GLU A 47 -14.330 4.826 4.151 1.00 0.16 C ATOM 517 CD GLU A 47 -14.906 5.106 5.517 1.00 0.31 C ATOM 518 OE1 GLU A 47 -15.140 6.293 5.827 1.00 1.19 O ATOM 519 OE2 GLU A 47 -15.139 4.147 6.281 1.00 1.13 O ATOM 0 H GLU A 47 -13.167 4.224 1.836 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.147 6.900 2.739 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.247 4.341 4.103 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.612 5.858 4.900 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -14.909 5.361 3.398 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.426 3.763 3.930 1.00 0.16 H new ATOM 526 N ALA A 48 -10.302 5.501 2.074 1.00 0.08 N ATOM 527 CA ALA A 48 -8.905 5.795 1.813 1.00 0.08 C ATOM 528 C ALA A 48 -8.799 6.935 0.804 1.00 0.08 C ATOM 529 O ALA A 48 -8.029 7.874 0.987 1.00 0.08 O ATOM 530 CB ALA A 48 -8.208 4.546 1.299 1.00 0.08 C ATOM 0 H ALA A 48 -10.612 4.594 1.726 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.416 6.107 2.736 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.159 4.769 1.104 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.278 3.756 2.047 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.687 4.216 0.377 1.00 0.08 H new ATOM 536 N LYS A 49 -9.629 6.861 -0.232 1.00 0.08 N ATOM 537 CA LYS A 49 -9.661 7.861 -1.295 1.00 0.09 C ATOM 538 C LYS A 49 -10.175 9.156 -0.714 1.00 0.10 C ATOM 539 O LYS A 49 -9.645 10.239 -0.935 1.00 0.13 O ATOM 540 CB LYS A 49 -10.620 7.415 -2.400 1.00 0.09 C ATOM 541 CG LYS A 49 -10.209 6.169 -3.154 1.00 0.09 C ATOM 542 CD LYS A 49 -11.445 5.398 -3.589 1.00 0.09 C ATOM 543 CE LYS A 49 -11.240 4.690 -4.904 1.00 0.10 C ATOM 544 NZ LYS A 49 -12.514 4.146 -5.444 1.00 0.71 N ATOM 0 H LYS A 49 -10.300 6.104 -0.359 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.660 7.987 -1.708 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.602 7.244 -1.958 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.729 8.231 -3.114 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.613 6.440 -4.026 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.581 5.541 -2.522 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.705 4.668 -2.822 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.288 6.084 -3.675 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.806 5.382 -5.625 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -10.525 3.878 -4.772 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -12.319 3.595 -6.304 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -12.959 3.532 -4.732 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -13.157 4.931 -5.674 1.00 0.71 H new ATOM 558 N LYS A 50 -11.230 8.978 0.039 1.00 0.11 N ATOM 559 CA LYS A 50 -11.910 10.021 0.756 1.00 0.12 C ATOM 560 C LYS A 50 -10.973 10.698 1.727 1.00 0.12 C ATOM 561 O LYS A 50 -10.951 11.910 1.830 1.00 0.15 O ATOM 562 CB LYS A 50 -13.076 9.372 1.493 1.00 0.14 C ATOM 563 CG LYS A 50 -13.477 10.083 2.781 1.00 0.17 C ATOM 564 CD LYS A 50 -14.318 9.196 3.684 1.00 0.27 C ATOM 565 CE LYS A 50 -15.384 8.460 2.899 1.00 1.06 C ATOM 566 NZ LYS A 50 -16.317 7.715 3.784 1.00 1.19 N ATOM 0 H LYS A 50 -11.656 8.061 0.174 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.269 10.789 0.071 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -13.938 9.338 0.827 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -12.814 8.340 1.728 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.581 10.398 3.315 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -14.036 10.986 2.537 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -13.675 8.476 4.191 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -14.788 9.803 4.458 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -15.948 9.173 2.297 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -14.909 7.765 2.207 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -16.686 6.884 3.279 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -15.812 7.405 4.638 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -17.107 8.334 4.055 1.00 1.19 H new ATOM 580 N LEU A 51 -10.225 9.889 2.444 1.00 0.11 N ATOM 581 CA LEU A 51 -9.222 10.375 3.377 1.00 0.12 C ATOM 582 C LEU A 51 -8.148 11.159 2.668 1.00 0.12 C ATOM 583 O LEU A 51 -7.817 12.275 3.050 1.00 0.13 O ATOM 584 CB LEU A 51 -8.587 9.204 4.068 1.00 0.11 C ATOM 585 CG LEU A 51 -7.826 9.535 5.327 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.683 10.384 6.241 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.396 8.243 5.984 1.00 0.12 C ATOM 0 H LEU A 51 -10.292 8.872 2.399 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.714 11.030 4.096 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.366 8.481 4.313 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -7.907 8.716 3.370 1.00 0.11 H new ATOM 0 HG LEU A 51 -6.934 10.117 5.096 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.126 10.619 7.148 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -8.953 11.309 5.731 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.589 9.837 6.503 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -6.844 8.465 6.897 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.276 7.648 6.228 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.758 7.682 5.301 1.00 0.12 H new ATOM 599 N ASN A 52 -7.611 10.539 1.642 1.00 0.11 N ATOM 600 CA ASN A 52 -6.643 11.175 0.749 1.00 0.11 C ATOM 601 C ASN A 52 -7.175 12.531 0.325 1.00 0.13 C ATOM 602 O ASN A 52 -6.462 13.511 0.286 1.00 0.15 O ATOM 603 CB ASN A 52 -6.453 10.280 -0.480 1.00 0.12 C ATOM 604 CG ASN A 52 -5.914 10.998 -1.701 1.00 0.16 C ATOM 605 OD1 ASN A 52 -4.612 10.960 -1.869 1.00 0.20 O flip ATOM 606 ND2 ASN A 52 -6.665 11.565 -2.493 1.00 0.19 N flip ATOM 0 H ASN A 52 -7.828 9.574 1.394 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.687 11.310 1.256 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.773 9.468 -0.221 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.410 9.825 -0.734 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -7.671 11.572 -2.326 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -6.282 12.029 -3.317 1.00 0.19 H new ATOM 613 N ASP A 53 -8.453 12.551 0.062 1.00 0.14 N ATOM 614 CA ASP A 53 -9.153 13.728 -0.418 1.00 0.17 C ATOM 615 C ASP A 53 -9.433 14.688 0.726 1.00 0.19 C ATOM 616 O ASP A 53 -9.439 15.907 0.559 1.00 0.22 O ATOM 617 CB ASP A 53 -10.457 13.287 -1.093 1.00 0.17 C ATOM 618 CG ASP A 53 -11.210 14.421 -1.751 1.00 0.71 C ATOM 619 OD1 ASP A 53 -10.939 14.712 -2.934 1.00 1.53 O ATOM 620 OD2 ASP A 53 -12.095 15.009 -1.096 1.00 1.34 O ATOM 0 H ASP A 53 -9.056 11.736 0.175 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.531 14.254 -1.142 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.230 12.529 -1.843 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -11.101 12.817 -0.349 1.00 0.17 H new ATOM 625 N ALA A 54 -9.649 14.109 1.893 1.00 0.18 N ATOM 626 CA ALA A 54 -10.042 14.842 3.072 1.00 0.21 C ATOM 627 C ALA A 54 -8.898 15.658 3.601 1.00 0.24 C ATOM 628 O ALA A 54 -9.058 16.827 3.963 1.00 0.28 O ATOM 629 CB ALA A 54 -10.490 13.866 4.143 1.00 0.20 C ATOM 0 H ALA A 54 -9.554 13.105 2.046 1.00 0.18 H new ATOM 0 HA ALA A 54 -10.858 15.514 2.805 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -10.788 14.417 5.035 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.336 13.286 3.775 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.668 13.193 4.389 1.00 0.20 H new ATOM 635 N GLN A 55 -7.734 15.042 3.636 1.00 0.22 N ATOM 636 CA GLN A 55 -6.591 15.692 4.251 1.00 0.25 C ATOM 637 C GLN A 55 -5.594 16.226 3.233 1.00 0.25 C ATOM 638 O GLN A 55 -4.847 17.138 3.574 1.00 0.28 O ATOM 639 CB GLN A 55 -5.891 14.731 5.197 1.00 0.25 C ATOM 640 CG GLN A 55 -5.585 13.391 4.564 1.00 0.20 C ATOM 641 CD GLN A 55 -4.538 12.629 5.337 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.345 12.791 5.108 1.00 0.22 O ATOM 643 NE2 GLN A 55 -4.977 11.785 6.250 1.00 0.17 N ATOM 0 H GLN A 55 -7.554 14.113 3.256 1.00 0.22 H new ATOM 0 HA GLN A 55 -6.977 16.549 4.803 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -4.961 15.183 5.543 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.516 14.576 6.076 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.498 12.799 4.509 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.242 13.543 3.541 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -5.979 11.681 6.408 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.314 11.236 6.798 1.00 0.17 H new ATOM 652 N ALA A 56 -5.595 15.640 2.016 1.00 0.24 N ATOM 653 CA ALA A 56 -4.750 16.056 0.874 1.00 0.25 C ATOM 654 C ALA A 56 -4.044 17.391 1.066 1.00 0.31 C ATOM 655 O ALA A 56 -4.529 18.444 0.646 1.00 0.35 O ATOM 656 CB ALA A 56 -5.564 16.072 -0.400 1.00 0.26 C ATOM 0 H ALA A 56 -6.197 14.847 1.795 1.00 0.24 H new ATOM 0 HA ALA A 56 -3.957 15.311 0.806 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.931 16.380 -1.232 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -5.958 15.074 -0.593 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.391 16.774 -0.294 1.00 0.26 H new ATOM 662 N PRO A 57 -2.889 17.331 1.733 1.00 0.35 N ATOM 663 CA PRO A 57 -2.025 18.485 1.990 1.00 0.42 C ATOM 664 C PRO A 57 -1.608 19.207 0.712 1.00 0.58 C ATOM 665 O PRO A 57 -1.122 18.581 -0.232 1.00 0.80 O ATOM 666 CB PRO A 57 -0.793 17.875 2.680 1.00 0.47 C ATOM 667 CG PRO A 57 -0.897 16.398 2.460 1.00 0.46 C ATOM 668 CD PRO A 57 -2.361 16.105 2.335 1.00 0.39 C ATOM 0 HA PRO A 57 -2.538 19.239 2.588 1.00 0.42 H new ATOM 0 HB2 PRO A 57 0.130 18.270 2.255 1.00 0.47 H new ATOM 0 HB3 PRO A 57 -0.782 18.113 3.744 1.00 0.47 H new ATOM 0 HG2 PRO A 57 -0.360 16.098 1.560 1.00 0.46 H new ATOM 0 HG3 PRO A 57 -0.458 15.847 3.292 1.00 0.46 H new ATOM 0 HD2 PRO A 57 -2.547 15.234 1.707 1.00 0.39 H new ATOM 0 HD3 PRO A 57 -2.817 15.902 3.304 1.00 0.39 H new ATOM 676 N LYS A 58 -1.813 20.522 0.700 1.00 0.81 N ATOM 677 CA LYS A 58 -1.398 21.382 -0.406 1.00 1.03 C ATOM 678 C LYS A 58 -2.028 20.935 -1.727 1.00 1.48 C ATOM 679 O LYS A 58 -1.340 20.283 -2.543 1.00 1.97 O ATOM 680 CB LYS A 58 0.131 21.415 -0.511 1.00 1.60 C ATOM 681 CG LYS A 58 0.655 22.393 -1.551 1.00 2.34 C ATOM 682 CD LYS A 58 2.174 22.435 -1.564 1.00 3.15 C ATOM 683 CE LYS A 58 2.732 22.983 -0.260 1.00 3.80 C ATOM 684 NZ LYS A 58 4.215 23.051 -0.281 1.00 4.55 N ATOM 685 OXT LYS A 58 -3.222 21.237 -1.940 1.00 2.24 O ATOM 0 H LYS A 58 -2.273 21.023 1.460 1.00 0.81 H new ATOM 0 HA LYS A 58 -1.753 22.392 -0.200 1.00 1.03 H new ATOM 0 HB2 LYS A 58 0.547 21.677 0.462 1.00 1.60 H new ATOM 0 HB3 LYS A 58 0.491 20.415 -0.753 1.00 1.60 H new ATOM 0 HG2 LYS A 58 0.290 22.106 -2.537 1.00 2.34 H new ATOM 0 HG3 LYS A 58 0.265 23.389 -1.344 1.00 2.34 H new ATOM 0 HD2 LYS A 58 2.564 21.432 -1.734 1.00 3.15 H new ATOM 0 HD3 LYS A 58 2.514 23.054 -2.394 1.00 3.15 H new ATOM 0 HE2 LYS A 58 2.325 23.978 -0.080 1.00 3.80 H new ATOM 0 HE3 LYS A 58 2.409 22.352 0.568 1.00 3.80 H new ATOM 0 HZ1 LYS A 58 4.558 23.429 0.625 1.00 4.55 H new ATOM 0 HZ2 LYS A 58 4.604 22.098 -0.428 1.00 4.55 H new ATOM 0 HZ3 LYS A 58 4.523 23.674 -1.055 1.00 4.55 H new TER 699 LYS A 58 ATOM 700 N ASP B 13 10.816 7.145 -12.947 1.00 1.37 N ATOM 701 CA ASP B 13 9.602 7.869 -12.509 1.00 0.51 C ATOM 702 C ASP B 13 8.380 6.970 -12.605 1.00 0.38 C ATOM 703 O ASP B 13 7.965 6.590 -13.701 1.00 0.51 O ATOM 704 CB ASP B 13 9.389 9.118 -13.367 1.00 1.11 C ATOM 705 CG ASP B 13 10.521 10.110 -13.240 1.00 1.60 C ATOM 706 OD1 ASP B 13 11.565 9.908 -13.896 1.00 2.19 O ATOM 707 OD2 ASP B 13 10.375 11.098 -12.492 1.00 2.32 O ATOM 0 HA ASP B 13 9.741 8.168 -11.470 1.00 0.51 H new ATOM 0 HB2 ASP B 13 9.284 8.823 -14.411 1.00 1.11 H new ATOM 0 HB3 ASP B 13 8.455 9.599 -13.076 1.00 1.11 H new ATOM 714 N GLY B 14 7.812 6.624 -11.456 1.00 0.21 N ATOM 715 CA GLY B 14 6.614 5.801 -11.436 1.00 0.21 C ATOM 716 C GLY B 14 6.825 4.389 -11.958 1.00 0.19 C ATOM 717 O GLY B 14 6.304 4.033 -13.016 1.00 0.28 O ATOM 0 H GLY B 14 8.159 6.898 -10.537 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.240 5.747 -10.414 1.00 0.21 H new ATOM 0 HA3 GLY B 14 5.842 6.287 -12.033 1.00 0.21 H new ATOM 721 N GLU B 15 7.597 3.583 -11.238 1.00 0.15 N ATOM 722 CA GLU B 15 7.701 2.165 -11.548 1.00 0.15 C ATOM 723 C GLU B 15 6.834 1.395 -10.567 1.00 0.14 C ATOM 724 O GLU B 15 7.211 1.219 -9.411 1.00 0.22 O ATOM 725 CB GLU B 15 9.149 1.673 -11.447 1.00 0.18 C ATOM 726 CG GLU B 15 10.183 2.700 -11.867 1.00 0.86 C ATOM 727 CD GLU B 15 11.590 2.147 -11.851 1.00 1.08 C ATOM 728 OE1 GLU B 15 11.882 1.234 -12.649 1.00 1.45 O ATOM 729 OE2 GLU B 15 12.419 2.632 -11.053 1.00 1.76 O ATOM 0 H GLU B 15 8.156 3.886 -10.441 1.00 0.15 H new ATOM 0 HA GLU B 15 7.366 2.003 -12.572 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.348 1.372 -10.418 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.263 0.784 -12.067 1.00 0.18 H new ATOM 0 HG2 GLU B 15 9.948 3.058 -12.870 1.00 0.86 H new ATOM 0 HG3 GLU B 15 10.127 3.561 -11.200 1.00 0.86 H new ATOM 736 N ILE B 16 5.674 0.952 -11.010 1.00 0.12 N ATOM 737 CA ILE B 16 4.730 0.307 -10.110 1.00 0.11 C ATOM 738 C ILE B 16 5.246 -1.041 -9.620 1.00 0.12 C ATOM 739 O ILE B 16 5.868 -1.802 -10.367 1.00 0.16 O ATOM 740 CB ILE B 16 3.350 0.109 -10.769 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.531 1.406 -10.709 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.611 -1.023 -10.072 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.804 1.603 -9.398 1.00 0.11 C ATOM 0 H ILE B 16 5.361 1.024 -11.978 1.00 0.12 H new ATOM 0 HA ILE B 16 4.621 0.977 -9.257 1.00 0.11 H new ATOM 0 HB ILE B 16 3.491 -0.151 -11.818 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.196 2.253 -10.877 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.804 1.405 -11.521 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.636 -1.162 -10.538 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.189 -1.943 -10.159 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.478 -0.776 -9.019 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.247 2.539 -9.428 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.114 0.775 -9.237 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.527 1.637 -8.583 1.00 0.11 H new ATOM 755 N PHE B 17 4.975 -1.315 -8.354 1.00 0.11 N ATOM 756 CA PHE B 17 5.325 -2.575 -7.736 1.00 0.11 C ATOM 757 C PHE B 17 4.172 -3.055 -6.865 1.00 0.11 C ATOM 758 O PHE B 17 3.601 -2.281 -6.098 1.00 0.11 O ATOM 759 CB PHE B 17 6.622 -2.414 -6.939 1.00 0.12 C ATOM 760 CG PHE B 17 6.668 -1.205 -6.043 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.113 -1.226 -4.768 1.00 1.09 C ATOM 762 CD2 PHE B 17 7.292 -0.046 -6.479 1.00 1.11 C ATOM 763 CE1 PHE B 17 6.182 -0.112 -3.951 1.00 1.10 C ATOM 764 CE2 PHE B 17 7.366 1.070 -5.670 1.00 1.11 C ATOM 765 CZ PHE B 17 6.812 1.038 -4.404 1.00 0.10 C ATOM 0 H PHE B 17 4.504 -0.663 -7.727 1.00 0.11 H new ATOM 0 HA PHE B 17 5.499 -3.333 -8.499 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.770 -3.306 -6.330 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.457 -2.363 -7.638 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.623 -2.121 -4.412 1.00 1.09 H new ATOM 0 HD2 PHE B 17 7.727 -0.016 -7.467 1.00 1.11 H new ATOM 0 HE1 PHE B 17 5.747 -0.137 -2.963 1.00 1.10 H new ATOM 0 HE2 PHE B 17 7.855 1.965 -6.025 1.00 1.11 H new ATOM 0 HZ PHE B 17 6.870 1.908 -3.767 1.00 0.10 H new ATOM 775 N TYR B 18 3.806 -4.318 -7.010 1.00 0.11 N ATOM 776 CA TYR B 18 2.659 -4.856 -6.307 1.00 0.10 C ATOM 777 C TYR B 18 3.092 -5.668 -5.110 1.00 0.09 C ATOM 778 O TYR B 18 4.099 -6.377 -5.150 1.00 0.09 O ATOM 779 CB TYR B 18 1.798 -5.716 -7.232 1.00 0.12 C ATOM 780 CG TYR B 18 1.057 -4.912 -8.271 1.00 0.09 C ATOM 781 CD1 TYR B 18 -0.095 -4.216 -7.934 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.506 -4.845 -9.580 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.781 -3.471 -8.872 1.00 1.20 C ATOM 784 CE2 TYR B 18 0.826 -4.104 -10.528 1.00 1.15 C ATOM 785 CZ TYR B 18 -0.316 -3.417 -10.168 1.00 0.12 C ATOM 786 OH TYR B 18 -0.994 -2.685 -11.113 1.00 0.18 O ATOM 0 H TYR B 18 4.288 -4.988 -7.609 1.00 0.11 H new ATOM 0 HA TYR B 18 2.062 -4.011 -5.962 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.433 -6.448 -7.732 1.00 0.12 H new ATOM 0 HB3 TYR B 18 1.079 -6.275 -6.633 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.462 -4.258 -6.919 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.400 -5.380 -9.864 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.676 -2.934 -8.592 1.00 1.20 H new ATOM 0 HE2 TYR B 18 1.186 -4.063 -11.545 1.00 1.15 H new ATOM 0 HH TYR B 18 -0.531 -2.753 -11.974 1.00 0.18 H new ATOM 796 N LEU B 19 2.327 -5.545 -4.043 1.00 0.13 N ATOM 797 CA LEU B 19 2.588 -6.275 -2.816 1.00 0.13 C ATOM 798 C LEU B 19 1.353 -7.102 -2.444 1.00 0.21 C ATOM 799 O LEU B 19 0.730 -6.879 -1.407 1.00 0.25 O ATOM 800 CB LEU B 19 2.954 -5.300 -1.678 1.00 0.12 C ATOM 801 CG LEU B 19 4.234 -4.447 -1.882 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.437 -5.348 -2.104 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.088 -3.447 -3.015 1.00 0.11 C ATOM 0 H LEU B 19 1.508 -4.938 -4.001 1.00 0.13 H new ATOM 0 HA LEU B 19 3.433 -6.947 -2.968 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.114 -4.623 -1.525 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.070 -5.876 -0.760 1.00 0.12 H new ATOM 0 HG LEU B 19 4.389 -3.868 -0.972 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.328 -4.737 -2.246 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.574 -5.993 -1.236 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.273 -5.962 -2.990 1.00 0.08 H new ATOM 0 HD21 LEU B 19 5.010 -2.875 -3.117 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.886 -3.978 -3.945 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.263 -2.769 -2.798 1.00 0.11 H new ATOM 815 N PRO B 20 0.987 -8.079 -3.301 1.00 0.23 N ATOM 816 CA PRO B 20 -0.255 -8.865 -3.160 1.00 0.29 C ATOM 817 C PRO B 20 -0.214 -9.859 -2.019 1.00 0.29 C ATOM 818 O PRO B 20 -1.234 -10.192 -1.418 1.00 0.33 O ATOM 819 CB PRO B 20 -0.311 -9.627 -4.483 1.00 0.33 C ATOM 820 CG PRO B 20 1.125 -9.818 -4.827 1.00 0.29 C ATOM 821 CD PRO B 20 1.760 -8.510 -4.484 1.00 0.23 C ATOM 0 HA PRO B 20 -1.110 -8.224 -2.946 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -0.830 -10.580 -4.377 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -0.837 -9.061 -5.252 1.00 0.33 H new ATOM 0 HG2 PRO B 20 1.566 -10.636 -4.258 1.00 0.29 H new ATOM 0 HG3 PRO B 20 1.253 -10.059 -5.882 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.820 -8.621 -4.257 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.682 -7.794 -5.302 1.00 0.23 H new ATOM 829 N ASN B 21 0.978 -10.319 -1.730 1.00 0.27 N ATOM 830 CA ASN B 21 1.170 -11.429 -0.830 1.00 0.28 C ATOM 831 C ASN B 21 1.447 -10.937 0.586 1.00 0.24 C ATOM 832 O ASN B 21 1.401 -11.703 1.550 1.00 0.28 O ATOM 833 CB ASN B 21 2.292 -12.307 -1.397 1.00 0.31 C ATOM 834 CG ASN B 21 3.170 -12.951 -0.355 1.00 0.32 C ATOM 835 OD1 ASN B 21 2.833 -13.979 0.230 1.00 0.41 O ATOM 836 ND2 ASN B 21 4.327 -12.360 -0.158 1.00 0.30 N ATOM 0 H ASN B 21 1.842 -9.935 -2.112 1.00 0.27 H new ATOM 0 HA ASN B 21 0.265 -12.032 -0.755 1.00 0.28 H new ATOM 0 HB2 ASN B 21 1.848 -13.089 -2.013 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.915 -11.699 -2.053 1.00 0.31 H new ATOM 0 HD21 ASN B 21 4.994 -12.753 0.506 1.00 0.30 H new ATOM 0 HD22 ASN B 21 4.558 -11.508 -0.669 1.00 0.30 H new ATOM 843 N LEU B 22 1.712 -9.650 0.716 1.00 0.19 N ATOM 844 CA LEU B 22 1.898 -9.055 2.019 1.00 0.16 C ATOM 845 C LEU B 22 0.584 -8.742 2.692 1.00 0.20 C ATOM 846 O LEU B 22 -0.391 -8.339 2.056 1.00 0.26 O ATOM 847 CB LEU B 22 2.756 -7.808 1.910 1.00 0.14 C ATOM 848 CG LEU B 22 4.148 -8.114 1.396 1.00 0.13 C ATOM 849 CD1 LEU B 22 5.092 -6.955 1.576 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.672 -9.340 2.095 1.00 0.14 C ATOM 0 H LEU B 22 1.802 -9.001 -0.066 1.00 0.19 H new ATOM 0 HA LEU B 22 2.412 -9.786 2.644 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.273 -7.094 1.243 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.828 -7.332 2.888 1.00 0.14 H new ATOM 0 HG LEU B 22 4.083 -8.297 0.323 1.00 0.13 H new ATOM 0 HD11 LEU B 22 6.076 -7.224 1.192 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.714 -6.090 1.031 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.170 -6.711 2.635 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.674 -9.567 1.730 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.709 -9.158 3.169 1.00 0.14 H new ATOM 0 HD23 LEU B 22 4.013 -10.184 1.893 1.00 0.14 H new ATOM 862 N ASN B 23 0.576 -8.949 3.992 1.00 0.21 N ATOM 863 CA ASN B 23 -0.581 -8.639 4.808 1.00 0.26 C ATOM 864 C ASN B 23 -0.473 -7.200 5.263 1.00 0.20 C ATOM 865 O ASN B 23 0.623 -6.638 5.217 1.00 0.15 O ATOM 866 CB ASN B 23 -0.661 -9.587 6.007 1.00 0.35 C ATOM 867 CG ASN B 23 -0.922 -11.017 5.591 1.00 0.56 C ATOM 868 OD1 ASN B 23 -2.068 -11.461 5.535 1.00 1.19 O ATOM 869 ND2 ASN B 23 0.137 -11.747 5.283 1.00 0.55 N ATOM 0 H ASN B 23 1.365 -9.334 4.511 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.493 -8.770 4.226 1.00 0.26 H new ATOM 0 HB2 ASN B 23 0.272 -9.539 6.568 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -1.454 -9.255 6.677 1.00 0.35 H new ATOM 0 HD21 ASN B 23 0.020 -12.716 4.986 1.00 0.55 H new ATOM 0 HD22 ASN B 23 1.071 -11.341 5.342 1.00 0.55 H new ATOM 876 N PRO B 24 -1.587 -6.571 5.670 1.00 0.25 N ATOM 877 CA PRO B 24 -1.584 -5.186 6.146 1.00 0.22 C ATOM 878 C PRO B 24 -0.394 -4.884 7.051 1.00 0.18 C ATOM 879 O PRO B 24 0.293 -3.884 6.868 1.00 0.19 O ATOM 880 CB PRO B 24 -2.890 -5.092 6.927 1.00 0.27 C ATOM 881 CG PRO B 24 -3.807 -6.046 6.242 1.00 0.33 C ATOM 882 CD PRO B 24 -2.945 -7.151 5.685 1.00 0.37 C ATOM 0 HA PRO B 24 -1.502 -4.468 5.330 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.747 -5.362 7.973 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.289 -4.078 6.911 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -4.543 -6.444 6.940 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.360 -5.548 5.446 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -2.990 -8.045 6.307 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.266 -7.442 4.685 1.00 0.37 H new ATOM 890 N ASP B 25 -0.120 -5.798 7.975 1.00 0.20 N ATOM 891 CA ASP B 25 0.929 -5.598 8.978 1.00 0.24 C ATOM 892 C ASP B 25 2.314 -5.689 8.352 1.00 0.23 C ATOM 893 O ASP B 25 3.245 -4.996 8.765 1.00 0.28 O ATOM 894 CB ASP B 25 0.809 -6.627 10.099 1.00 0.34 C ATOM 895 CG ASP B 25 1.856 -6.430 11.177 1.00 0.98 C ATOM 896 OD1 ASP B 25 1.638 -5.585 12.073 1.00 1.76 O ATOM 897 OD2 ASP B 25 2.902 -7.116 11.134 1.00 1.49 O ATOM 0 H ASP B 25 -0.610 -6.689 8.053 1.00 0.20 H new ATOM 0 HA ASP B 25 0.797 -4.599 9.393 1.00 0.24 H new ATOM 0 HB2 ASP B 25 -0.184 -6.562 10.544 1.00 0.34 H new ATOM 0 HB3 ASP B 25 0.906 -7.629 9.681 1.00 0.34 H new ATOM 902 N GLN B 26 2.431 -6.533 7.342 1.00 0.19 N ATOM 903 CA GLN B 26 3.678 -6.726 6.631 1.00 0.20 C ATOM 904 C GLN B 26 4.030 -5.434 5.906 1.00 0.20 C ATOM 905 O GLN B 26 5.164 -4.955 5.938 1.00 0.24 O ATOM 906 CB GLN B 26 3.492 -7.887 5.649 1.00 0.25 C ATOM 907 CG GLN B 26 2.901 -9.132 6.304 1.00 0.31 C ATOM 908 CD GLN B 26 3.773 -9.718 7.401 1.00 0.29 C ATOM 909 OE1 GLN B 26 5.076 -9.630 7.227 1.00 0.48 O flip ATOM 910 NE2 GLN B 26 3.271 -10.268 8.379 1.00 0.28 N flip ATOM 0 H GLN B 26 1.661 -7.104 6.993 1.00 0.19 H new ATOM 0 HA GLN B 26 4.494 -6.969 7.311 1.00 0.20 H new ATOM 0 HB2 GLN B 26 2.841 -7.567 4.836 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.455 -8.139 5.206 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.925 -8.883 6.722 1.00 0.31 H new ATOM 0 HG3 GLN B 26 2.736 -9.891 5.539 1.00 0.31 H new ATOM 0 HE21 GLN B 26 2.256 -10.313 8.474 1.00 0.28 H new ATOM 0 HE22 GLN B 26 3.869 -10.679 9.096 1.00 0.28 H new ATOM 919 N LEU B 27 3.019 -4.887 5.270 1.00 0.16 N ATOM 920 CA LEU B 27 3.090 -3.591 4.610 1.00 0.17 C ATOM 921 C LEU B 27 3.262 -2.445 5.616 1.00 0.19 C ATOM 922 O LEU B 27 3.881 -1.433 5.296 1.00 0.21 O ATOM 923 CB LEU B 27 1.811 -3.380 3.804 1.00 0.16 C ATOM 924 CG LEU B 27 1.501 -4.487 2.795 1.00 0.14 C ATOM 925 CD1 LEU B 27 0.015 -4.521 2.485 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.304 -4.282 1.520 1.00 0.13 C ATOM 0 H LEU B 27 2.105 -5.334 5.192 1.00 0.16 H new ATOM 0 HA LEU B 27 3.962 -3.585 3.956 1.00 0.17 H new ATOM 0 HB2 LEU B 27 0.973 -3.292 4.495 1.00 0.16 H new ATOM 0 HB3 LEU B 27 1.886 -2.432 3.271 1.00 0.16 H new ATOM 0 HG LEU B 27 1.785 -5.444 3.233 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.189 -5.314 1.766 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.544 -4.710 3.402 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.291 -3.563 2.065 1.00 0.15 H new ATOM 0 HD21 LEU B 27 2.072 -5.078 0.812 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.048 -3.319 1.079 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.369 -4.303 1.753 1.00 0.13 H new ATOM 938 N CYS B 28 2.712 -2.613 6.826 1.00 0.20 N ATOM 939 CA CYS B 28 2.752 -1.568 7.860 1.00 0.23 C ATOM 940 C CYS B 28 4.156 -1.031 8.067 1.00 0.23 C ATOM 941 O CYS B 28 4.366 0.179 8.111 1.00 0.28 O ATOM 942 CB CYS B 28 2.212 -2.082 9.198 1.00 0.25 C ATOM 943 SG CYS B 28 0.403 -2.286 9.270 1.00 0.27 S ATOM 0 H CYS B 28 2.232 -3.466 7.114 1.00 0.20 H new ATOM 0 HA CYS B 28 2.115 -0.759 7.502 1.00 0.23 H new ATOM 0 HB2 CYS B 28 2.680 -3.042 9.417 1.00 0.25 H new ATOM 0 HB3 CYS B 28 2.516 -1.392 9.985 1.00 0.25 H new ATOM 948 N ALA B 29 5.112 -1.933 8.177 1.00 0.22 N ATOM 949 CA ALA B 29 6.493 -1.554 8.407 1.00 0.24 C ATOM 950 C ALA B 29 7.039 -0.765 7.229 1.00 0.21 C ATOM 951 O ALA B 29 7.737 0.234 7.405 1.00 0.25 O ATOM 952 CB ALA B 29 7.337 -2.789 8.638 1.00 0.26 C ATOM 0 H ALA B 29 4.956 -2.939 8.110 1.00 0.22 H new ATOM 0 HA ALA B 29 6.533 -0.921 9.293 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.372 -2.495 8.810 1.00 0.26 H new ATOM 0 HB2 ALA B 29 6.963 -3.327 9.509 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.284 -3.435 7.762 1.00 0.26 H new ATOM 958 N PHE B 30 6.703 -1.218 6.028 1.00 0.18 N ATOM 959 CA PHE B 30 7.218 -0.620 4.813 1.00 0.17 C ATOM 960 C PHE B 30 6.878 0.867 4.715 1.00 0.21 C ATOM 961 O PHE B 30 7.779 1.696 4.696 1.00 0.22 O ATOM 962 CB PHE B 30 6.640 -1.365 3.610 1.00 0.18 C ATOM 963 CG PHE B 30 7.070 -0.806 2.292 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.403 -0.560 2.046 1.00 1.07 C ATOM 965 CD2 PHE B 30 6.144 -0.533 1.299 1.00 1.13 C ATOM 966 CE1 PHE B 30 8.811 -0.051 0.836 1.00 1.07 C ATOM 967 CE2 PHE B 30 6.551 -0.025 0.081 1.00 1.13 C ATOM 968 CZ PHE B 30 7.892 0.214 -0.145 1.00 0.13 C ATOM 0 H PHE B 30 6.071 -2.004 5.874 1.00 0.18 H new ATOM 0 HA PHE B 30 8.305 -0.703 4.827 1.00 0.17 H new ATOM 0 HB2 PHE B 30 6.938 -2.412 3.665 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.552 -1.340 3.667 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.135 -0.769 2.812 1.00 1.07 H new ATOM 0 HD2 PHE B 30 5.095 -0.719 1.479 1.00 1.13 H new ATOM 0 HE1 PHE B 30 9.859 0.141 0.658 1.00 1.07 H new ATOM 0 HE2 PHE B 30 5.825 0.184 -0.690 1.00 1.13 H new ATOM 0 HZ PHE B 30 8.217 0.610 -1.096 1.00 0.13 H new ATOM 978 N PHE B 31 5.597 1.215 4.745 1.00 0.26 N ATOM 979 CA PHE B 31 5.210 2.612 4.654 1.00 0.35 C ATOM 980 C PHE B 31 5.518 3.364 5.939 1.00 0.37 C ATOM 981 O PHE B 31 5.563 4.591 5.945 1.00 0.46 O ATOM 982 CB PHE B 31 3.741 2.795 4.247 1.00 0.65 C ATOM 983 CG PHE B 31 2.740 1.902 4.920 1.00 0.23 C ATOM 984 CD1 PHE B 31 2.494 1.997 6.273 1.00 1.13 C ATOM 985 CD2 PHE B 31 2.006 0.996 4.173 1.00 1.16 C ATOM 986 CE1 PHE B 31 1.538 1.206 6.873 1.00 1.45 C ATOM 987 CE2 PHE B 31 1.054 0.197 4.767 1.00 1.05 C ATOM 988 CZ PHE B 31 0.818 0.303 6.119 1.00 0.80 C ATOM 0 H PHE B 31 4.821 0.558 4.830 1.00 0.26 H new ATOM 0 HA PHE B 31 5.815 3.044 3.857 1.00 0.35 H new ATOM 0 HB2 PHE B 31 3.460 3.830 4.443 1.00 0.65 H new ATOM 0 HB3 PHE B 31 3.664 2.642 3.171 1.00 0.65 H new ATOM 0 HD1 PHE B 31 3.057 2.699 6.870 1.00 1.13 H new ATOM 0 HD2 PHE B 31 2.182 0.915 3.111 1.00 1.16 H new ATOM 0 HE1 PHE B 31 1.353 1.293 7.933 1.00 1.45 H new ATOM 0 HE2 PHE B 31 0.494 -0.511 4.174 1.00 1.05 H new ATOM 0 HZ PHE B 31 0.071 -0.320 6.588 1.00 0.80 H new ATOM 998 N HIS B 32 5.755 2.638 7.021 1.00 0.36 N ATOM 999 CA HIS B 32 6.150 3.274 8.268 1.00 0.43 C ATOM 1000 C HIS B 32 7.575 3.793 8.156 1.00 0.40 C ATOM 1001 O HIS B 32 7.850 4.934 8.506 1.00 0.47 O ATOM 1002 CB HIS B 32 6.025 2.294 9.442 1.00 0.47 C ATOM 1003 CG HIS B 32 6.472 2.850 10.762 1.00 0.71 C ATOM 1004 ND1 HIS B 32 7.661 2.498 11.361 1.00 1.37 N ATOM 1005 CD2 HIS B 32 5.877 3.727 11.605 1.00 1.43 C ATOM 1006 CE1 HIS B 32 7.776 3.129 12.512 1.00 1.77 C ATOM 1007 NE2 HIS B 32 6.709 3.883 12.685 1.00 1.70 N ATOM 0 H HIS B 32 5.682 1.621 7.062 1.00 0.36 H new ATOM 0 HA HIS B 32 5.482 4.114 8.458 1.00 0.43 H new ATOM 0 HB2 HIS B 32 4.985 1.979 9.527 1.00 0.47 H new ATOM 0 HB3 HIS B 32 6.611 1.402 9.220 1.00 0.47 H new ATOM 0 HD2 HIS B 32 4.924 4.213 11.455 1.00 1.43 H new ATOM 0 HE1 HIS B 32 8.605 3.043 13.198 1.00 1.77 H new ATOM 0 HE2 HIS B 32 6.531 4.484 13.490 1.00 1.70 H new ATOM 1016 N SER B 33 8.467 2.966 7.630 1.00 0.33 N ATOM 1017 CA SER B 33 9.848 3.375 7.414 1.00 0.33 C ATOM 1018 C SER B 33 9.926 4.357 6.250 1.00 0.28 C ATOM 1019 O SER B 33 10.748 5.261 6.239 1.00 0.30 O ATOM 1020 CB SER B 33 10.740 2.156 7.151 1.00 0.33 C ATOM 1021 OG SER B 33 12.114 2.508 7.195 1.00 0.77 O ATOM 0 H SER B 33 8.260 2.009 7.345 1.00 0.33 H new ATOM 0 HA SER B 33 10.209 3.870 8.315 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.535 1.385 7.894 1.00 0.33 H new ATOM 0 HB3 SER B 33 10.502 1.731 6.176 1.00 0.33 H new ATOM 0 HG SER B 33 12.661 1.713 7.026 1.00 0.77 H new ATOM 1027 N VAL B 34 9.063 4.148 5.275 1.00 0.22 N ATOM 1028 CA VAL B 34 9.044 4.917 4.040 1.00 0.20 C ATOM 1029 C VAL B 34 8.480 6.323 4.257 1.00 0.26 C ATOM 1030 O VAL B 34 9.011 7.297 3.728 1.00 0.27 O ATOM 1031 CB VAL B 34 8.209 4.181 2.962 1.00 0.19 C ATOM 1032 CG1 VAL B 34 7.815 5.088 1.823 1.00 0.18 C ATOM 1033 CG2 VAL B 34 8.957 2.991 2.405 1.00 0.20 C ATOM 0 H VAL B 34 8.342 3.428 5.317 1.00 0.22 H new ATOM 0 HA VAL B 34 10.075 5.015 3.700 1.00 0.20 H new ATOM 0 HB VAL B 34 7.303 3.842 3.464 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.232 4.525 1.094 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.217 5.914 2.206 1.00 0.18 H new ATOM 0 HG13 VAL B 34 8.712 5.481 1.344 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.344 2.496 1.651 1.00 0.20 H new ATOM 0 HG22 VAL B 34 9.889 3.327 1.951 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.177 2.290 3.210 1.00 0.20 H new ATOM 1043 N HIS B 35 7.402 6.436 5.031 1.00 0.32 N ATOM 1044 CA HIS B 35 6.799 7.740 5.273 1.00 0.41 C ATOM 1045 C HIS B 35 7.626 8.488 6.305 1.00 0.45 C ATOM 1046 O HIS B 35 7.746 9.712 6.258 1.00 0.51 O ATOM 1047 CB HIS B 35 5.352 7.593 5.749 1.00 0.48 C ATOM 1048 CG HIS B 35 4.544 8.859 5.689 1.00 0.66 C ATOM 1049 ND1 HIS B 35 3.457 9.018 4.853 1.00 1.60 N ATOM 1050 CD2 HIS B 35 4.644 10.014 6.389 1.00 0.88 C ATOM 1051 CE1 HIS B 35 2.929 10.212 5.043 1.00 1.50 C ATOM 1052 NE2 HIS B 35 3.629 10.834 5.968 1.00 0.80 N ATOM 0 H HIS B 35 6.937 5.654 5.493 1.00 0.32 H new ATOM 0 HA HIS B 35 6.785 8.304 4.341 1.00 0.41 H new ATOM 0 HB2 HIS B 35 4.859 6.833 5.143 1.00 0.48 H new ATOM 0 HB3 HIS B 35 5.356 7.228 6.776 1.00 0.48 H new ATOM 0 HD2 HIS B 35 5.385 10.246 7.139 1.00 0.88 H new ATOM 0 HE1 HIS B 35 2.068 10.611 4.527 1.00 1.50 H new ATOM 0 HE2 HIS B 35 3.446 11.775 6.316 1.00 0.80 H new ATOM 1061 N ASP B 36 8.198 7.740 7.236 1.00 0.44 N ATOM 1062 CA ASP B 36 9.074 8.324 8.235 1.00 0.50 C ATOM 1063 C ASP B 36 10.412 8.680 7.610 1.00 0.47 C ATOM 1064 O ASP B 36 10.994 9.717 7.928 1.00 0.52 O ATOM 1065 CB ASP B 36 9.281 7.376 9.415 1.00 0.55 C ATOM 1066 CG ASP B 36 10.135 7.991 10.505 1.00 0.79 C ATOM 1067 OD1 ASP B 36 9.643 8.891 11.213 1.00 1.59 O ATOM 1068 OD2 ASP B 36 11.300 7.570 10.665 1.00 1.29 O ATOM 0 H ASP B 36 8.071 6.731 7.319 1.00 0.44 H new ATOM 0 HA ASP B 36 8.600 9.230 8.611 1.00 0.50 H new ATOM 0 HB2 ASP B 36 8.312 7.098 9.829 1.00 0.55 H new ATOM 0 HB3 ASP B 36 9.752 6.458 9.062 1.00 0.55 H new ATOM 1073 N ASP B 37 10.903 7.834 6.707 1.00 0.39 N ATOM 1074 CA ASP B 37 12.155 8.140 6.022 1.00 0.40 C ATOM 1075 C ASP B 37 12.053 7.853 4.530 1.00 0.32 C ATOM 1076 O ASP B 37 12.398 6.767 4.061 1.00 0.29 O ATOM 1077 CB ASP B 37 13.317 7.358 6.634 1.00 0.48 C ATOM 1078 CG ASP B 37 14.650 8.011 6.343 1.00 1.00 C ATOM 1079 OD1 ASP B 37 15.093 7.988 5.180 1.00 1.58 O ATOM 1080 OD2 ASP B 37 15.253 8.578 7.279 1.00 1.55 O ATOM 0 H ASP B 37 10.466 6.953 6.438 1.00 0.39 H new ATOM 0 HA ASP B 37 12.348 9.205 6.151 1.00 0.40 H new ATOM 0 HB2 ASP B 37 13.177 7.283 7.712 1.00 0.48 H new ATOM 0 HB3 ASP B 37 13.317 6.341 6.242 1.00 0.48 H new ATOM 1085 N PRO B 38 11.571 8.841 3.766 1.00 0.34 N ATOM 1086 CA PRO B 38 11.465 8.753 2.301 1.00 0.31 C ATOM 1087 C PRO B 38 12.824 8.667 1.607 1.00 0.30 C ATOM 1088 O PRO B 38 12.900 8.433 0.399 1.00 0.36 O ATOM 1089 CB PRO B 38 10.770 10.066 1.922 1.00 0.42 C ATOM 1090 CG PRO B 38 11.073 10.982 3.057 1.00 0.49 C ATOM 1091 CD PRO B 38 11.050 10.123 4.274 1.00 0.46 C ATOM 0 HA PRO B 38 10.933 7.853 1.993 1.00 0.31 H new ATOM 0 HB2 PRO B 38 11.151 10.460 0.980 1.00 0.42 H new ATOM 0 HB3 PRO B 38 9.696 9.927 1.799 1.00 0.42 H new ATOM 0 HG2 PRO B 38 12.046 11.457 2.930 1.00 0.49 H new ATOM 0 HG3 PRO B 38 10.334 11.781 3.126 1.00 0.49 H new ATOM 0 HD2 PRO B 38 11.675 10.529 5.070 1.00 0.46 H new ATOM 0 HD3 PRO B 38 10.044 10.020 4.680 1.00 0.46 H new ATOM 1099 N SER B 39 13.894 8.843 2.374 1.00 0.29 N ATOM 1100 CA SER B 39 15.242 8.869 1.824 1.00 0.31 C ATOM 1101 C SER B 39 15.701 7.481 1.403 1.00 0.26 C ATOM 1102 O SER B 39 16.664 7.338 0.651 1.00 0.31 O ATOM 1103 CB SER B 39 16.207 9.461 2.846 1.00 0.39 C ATOM 1104 OG SER B 39 15.760 10.734 3.283 1.00 1.45 O ATOM 0 H SER B 39 13.852 8.970 3.385 1.00 0.29 H new ATOM 0 HA SER B 39 15.232 9.496 0.932 1.00 0.31 H new ATOM 0 HB2 SER B 39 16.297 8.789 3.700 1.00 0.39 H new ATOM 0 HB3 SER B 39 17.200 9.551 2.406 1.00 0.39 H new ATOM 0 HG SER B 39 16.392 11.095 3.939 1.00 1.45 H new ATOM 1110 N GLN B 40 15.006 6.461 1.879 1.00 0.21 N ATOM 1111 CA GLN B 40 15.377 5.088 1.576 1.00 0.19 C ATOM 1112 C GLN B 40 14.246 4.301 0.976 1.00 0.15 C ATOM 1113 O GLN B 40 14.281 3.082 1.004 1.00 0.14 O ATOM 1114 CB GLN B 40 15.815 4.357 2.819 1.00 0.22 C ATOM 1115 CG GLN B 40 15.287 4.956 4.101 1.00 0.25 C ATOM 1116 CD GLN B 40 16.306 4.905 5.201 1.00 0.32 C ATOM 1117 OE1 GLN B 40 16.355 3.974 6.006 1.00 0.37 O ATOM 1118 NE2 GLN B 40 17.146 5.911 5.208 1.00 0.35 N ATOM 0 H GLN B 40 14.184 6.557 2.475 1.00 0.21 H new ATOM 0 HA GLN B 40 16.192 5.161 0.856 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.487 3.320 2.753 1.00 0.22 H new ATOM 0 HB3 GLN B 40 16.904 4.346 2.857 1.00 0.22 H new ATOM 0 HG2 GLN B 40 14.994 5.991 3.925 1.00 0.25 H new ATOM 0 HG3 GLN B 40 14.390 4.419 4.411 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.057 6.655 4.516 1.00 0.35 H new ATOM 0 HE22 GLN B 40 17.889 5.950 5.906 1.00 0.35 H new ATOM 1127 N SER B 41 13.246 4.985 0.474 1.00 0.15 N ATOM 1128 CA SER B 41 12.077 4.332 -0.112 1.00 0.14 C ATOM 1129 C SER B 41 12.463 3.192 -1.067 1.00 0.11 C ATOM 1130 O SER B 41 11.710 2.239 -1.219 1.00 0.10 O ATOM 1131 CB SER B 41 11.198 5.355 -0.827 1.00 0.16 C ATOM 1132 OG SER B 41 11.937 6.048 -1.819 1.00 0.75 O ATOM 0 H SER B 41 13.209 6.004 0.455 1.00 0.15 H new ATOM 0 HA SER B 41 11.512 3.886 0.707 1.00 0.14 H new ATOM 0 HB2 SER B 41 10.347 4.852 -1.286 1.00 0.16 H new ATOM 0 HB3 SER B 41 10.797 6.065 -0.104 1.00 0.16 H new ATOM 0 HG SER B 41 11.691 6.996 -1.807 1.00 0.75 H new ATOM 1138 N ALA B 42 13.632 3.281 -1.704 1.00 0.09 N ATOM 1139 CA ALA B 42 14.104 2.205 -2.572 1.00 0.08 C ATOM 1140 C ALA B 42 14.683 1.032 -1.778 1.00 0.10 C ATOM 1141 O ALA B 42 14.432 -0.128 -2.106 1.00 0.10 O ATOM 1142 CB ALA B 42 15.117 2.713 -3.569 1.00 0.09 C ATOM 0 H ALA B 42 14.263 4.080 -1.635 1.00 0.09 H new ATOM 0 HA ALA B 42 13.233 1.837 -3.115 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.450 1.890 -4.201 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.662 3.485 -4.189 1.00 0.09 H new ATOM 0 HB3 ALA B 42 15.972 3.131 -3.038 1.00 0.09 H new ATOM 1148 N ASN B 43 15.464 1.327 -0.739 1.00 0.12 N ATOM 1149 CA ASN B 43 15.977 0.272 0.138 1.00 0.14 C ATOM 1150 C ASN B 43 14.819 -0.333 0.908 1.00 0.14 C ATOM 1151 O ASN B 43 14.755 -1.537 1.141 1.00 0.15 O ATOM 1152 CB ASN B 43 17.026 0.809 1.117 1.00 0.18 C ATOM 1153 CG ASN B 43 18.368 1.052 0.474 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.183 0.140 0.341 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.620 2.292 0.102 1.00 0.33 N ATOM 0 H ASN B 43 15.752 2.272 -0.485 1.00 0.12 H new ATOM 0 HA ASN B 43 16.461 -0.485 -0.479 1.00 0.14 H new ATOM 0 HB2 ASN B 43 16.665 1.741 1.552 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.146 0.100 1.936 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.521 2.526 -0.315 1.00 0.33 H new ATOM 0 HD22 ASN B 43 17.914 3.017 0.231 1.00 0.33 H new ATOM 1162 N LEU B 44 13.910 0.539 1.293 1.00 0.13 N ATOM 1163 CA LEU B 44 12.646 0.148 1.890 1.00 0.13 C ATOM 1164 C LEU B 44 11.849 -0.706 0.908 1.00 0.11 C ATOM 1165 O LEU B 44 11.268 -1.724 1.285 1.00 0.11 O ATOM 1166 CB LEU B 44 11.839 1.388 2.271 1.00 0.14 C ATOM 1167 CG LEU B 44 12.170 2.052 3.619 1.00 0.17 C ATOM 1168 CD1 LEU B 44 13.498 1.596 4.187 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.203 3.548 3.454 1.00 0.17 C ATOM 0 H LEU B 44 14.027 1.548 1.200 1.00 0.13 H new ATOM 0 HA LEU B 44 12.847 -0.434 2.789 1.00 0.13 H new ATOM 0 HB2 LEU B 44 11.971 2.132 1.486 1.00 0.14 H new ATOM 0 HB3 LEU B 44 10.784 1.116 2.278 1.00 0.14 H new ATOM 0 HG LEU B 44 11.388 1.753 4.317 1.00 0.17 H new ATOM 0 HD11 LEU B 44 13.678 2.097 5.138 1.00 0.19 H new ATOM 0 HD12 LEU B 44 13.476 0.518 4.344 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.297 1.845 3.489 1.00 0.19 H new ATOM 0 HD21 LEU B 44 12.438 4.014 4.411 1.00 0.17 H new ATOM 0 HD22 LEU B 44 12.965 3.817 2.723 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.230 3.898 3.109 1.00 0.17 H new ATOM 1181 N LEU B 45 11.846 -0.280 -0.365 1.00 0.10 N ATOM 1182 CA LEU B 45 11.152 -0.991 -1.440 1.00 0.09 C ATOM 1183 C LEU B 45 11.614 -2.419 -1.439 1.00 0.08 C ATOM 1184 O LEU B 45 10.818 -3.355 -1.436 1.00 0.08 O ATOM 1185 CB LEU B 45 11.475 -0.373 -2.816 1.00 0.09 C ATOM 1186 CG LEU B 45 10.280 -0.224 -3.765 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.693 -0.405 -5.225 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.185 -1.206 -3.392 1.00 0.10 C ATOM 0 H LEU B 45 12.325 0.566 -0.673 1.00 0.10 H new ATOM 0 HA LEU B 45 10.078 -0.920 -1.270 1.00 0.09 H new ATOM 0 HB2 LEU B 45 11.918 0.611 -2.659 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.231 -0.989 -3.304 1.00 0.09 H new ATOM 0 HG LEU B 45 9.894 0.790 -3.658 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.819 -0.292 -5.867 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.436 0.347 -5.489 1.00 0.13 H new ATOM 0 HD13 LEU B 45 11.118 -1.399 -5.362 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.343 -1.089 -4.074 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.570 -2.224 -3.462 1.00 0.10 H new ATOM 0 HD23 LEU B 45 8.855 -1.012 -2.371 1.00 0.10 H new ATOM 1200 N ALA B 46 12.918 -2.551 -1.399 1.00 0.09 N ATOM 1201 CA ALA B 46 13.578 -3.821 -1.365 1.00 0.11 C ATOM 1202 C ALA B 46 13.014 -4.699 -0.280 1.00 0.11 C ATOM 1203 O ALA B 46 12.778 -5.860 -0.509 1.00 0.13 O ATOM 1204 CB ALA B 46 15.049 -3.589 -1.126 1.00 0.13 C ATOM 0 H ALA B 46 13.558 -1.757 -1.389 1.00 0.09 H new ATOM 0 HA ALA B 46 13.423 -4.330 -2.316 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.568 -4.547 -1.097 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.457 -2.979 -1.932 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.186 -3.073 -0.176 1.00 0.13 H new ATOM 1210 N GLU B 47 12.766 -4.120 0.882 1.00 0.11 N ATOM 1211 CA GLU B 47 12.358 -4.885 2.049 1.00 0.12 C ATOM 1212 C GLU B 47 10.915 -5.341 1.953 1.00 0.10 C ATOM 1213 O GLU B 47 10.567 -6.414 2.432 1.00 0.11 O ATOM 1214 CB GLU B 47 12.558 -4.058 3.307 1.00 0.16 C ATOM 1215 CG GLU B 47 13.999 -3.666 3.502 1.00 0.20 C ATOM 1216 CD GLU B 47 14.830 -4.758 4.131 1.00 0.71 C ATOM 1217 OE1 GLU B 47 14.405 -5.320 5.162 1.00 1.20 O ATOM 1218 OE2 GLU B 47 15.921 -5.053 3.600 1.00 1.43 O ATOM 0 H GLU B 47 12.841 -3.116 1.043 1.00 0.11 H new ATOM 0 HA GLU B 47 12.983 -5.777 2.093 1.00 0.12 H new ATOM 0 HB2 GLU B 47 11.942 -3.160 3.252 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.217 -4.626 4.172 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.430 -3.399 2.537 1.00 0.20 H new ATOM 0 HG3 GLU B 47 14.045 -2.776 4.129 1.00 0.20 H new ATOM 1225 N ALA B 48 10.076 -4.518 1.352 1.00 0.07 N ATOM 1226 CA ALA B 48 8.673 -4.874 1.166 1.00 0.07 C ATOM 1227 C ALA B 48 8.571 -5.929 0.105 1.00 0.08 C ATOM 1228 O ALA B 48 7.819 -6.883 0.225 1.00 0.09 O ATOM 1229 CB ALA B 48 7.822 -3.678 0.791 1.00 0.09 C ATOM 0 H ALA B 48 10.335 -3.602 0.985 1.00 0.07 H new ATOM 0 HA ALA B 48 8.293 -5.252 2.115 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.787 -3.994 0.664 1.00 0.09 H new ATOM 0 HB2 ALA B 48 7.878 -2.929 1.581 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.188 -3.249 -0.142 1.00 0.09 H new ATOM 1235 N LYS B 49 9.361 -5.753 -0.931 1.00 0.09 N ATOM 1236 CA LYS B 49 9.400 -6.691 -2.019 1.00 0.12 C ATOM 1237 C LYS B 49 10.124 -7.951 -1.563 1.00 0.15 C ATOM 1238 O LYS B 49 9.834 -9.045 -2.012 1.00 0.19 O ATOM 1239 CB LYS B 49 10.090 -6.026 -3.196 1.00 0.11 C ATOM 1240 CG LYS B 49 9.392 -4.754 -3.638 1.00 0.11 C ATOM 1241 CD LYS B 49 10.054 -4.111 -4.842 1.00 0.12 C ATOM 1242 CE LYS B 49 11.527 -3.818 -4.611 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.289 -3.739 -5.884 1.00 0.20 N ATOM 0 H LYS B 49 9.990 -4.957 -1.038 1.00 0.09 H new ATOM 0 HA LYS B 49 8.397 -6.984 -2.331 1.00 0.12 H new ATOM 0 HB2 LYS B 49 11.120 -5.796 -2.926 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.128 -6.724 -4.032 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.353 -4.979 -3.877 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.382 -4.044 -2.811 1.00 0.11 H new ATOM 0 HD2 LYS B 49 9.949 -4.769 -5.704 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.536 -3.183 -5.084 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.628 -2.877 -4.070 1.00 0.11 H new ATOM 0 HE3 LYS B 49 11.956 -4.596 -3.980 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 13.255 -3.406 -5.690 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.329 -4.681 -6.323 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.817 -3.075 -6.531 1.00 0.20 H new ATOM 1257 N LYS B 50 11.054 -7.761 -0.638 1.00 0.15 N ATOM 1258 CA LYS B 50 11.745 -8.847 0.051 1.00 0.18 C ATOM 1259 C LYS B 50 10.787 -9.606 0.942 1.00 0.20 C ATOM 1260 O LYS B 50 10.833 -10.819 1.028 1.00 0.26 O ATOM 1261 CB LYS B 50 12.852 -8.221 0.891 1.00 0.19 C ATOM 1262 CG LYS B 50 13.239 -8.984 2.147 1.00 0.24 C ATOM 1263 CD LYS B 50 14.305 -8.233 2.939 1.00 0.33 C ATOM 1264 CE LYS B 50 15.541 -7.955 2.098 1.00 1.07 C ATOM 1265 NZ LYS B 50 16.678 -7.475 2.924 1.00 1.88 N ATOM 0 H LYS B 50 11.356 -6.834 -0.339 1.00 0.15 H new ATOM 0 HA LYS B 50 12.156 -9.552 -0.671 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.739 -8.112 0.267 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.540 -7.217 1.180 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.358 -9.136 2.770 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.611 -9.972 1.876 1.00 0.24 H new ATOM 0 HD2 LYS B 50 13.893 -7.291 3.302 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.585 -8.817 3.816 1.00 0.33 H new ATOM 0 HE2 LYS B 50 15.833 -8.863 1.571 1.00 1.07 H new ATOM 0 HE3 LYS B 50 15.303 -7.209 1.339 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 17.454 -7.169 2.303 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 16.367 -6.674 3.510 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 17.010 -8.245 3.539 1.00 1.88 H new ATOM 1279 N LEU B 51 9.937 -8.866 1.615 1.00 0.17 N ATOM 1280 CA LEU B 51 8.917 -9.435 2.465 1.00 0.17 C ATOM 1281 C LEU B 51 7.874 -10.134 1.620 1.00 0.18 C ATOM 1282 O LEU B 51 7.380 -11.215 1.955 1.00 0.20 O ATOM 1283 CB LEU B 51 8.266 -8.325 3.274 1.00 0.14 C ATOM 1284 CG LEU B 51 7.203 -8.777 4.250 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.755 -9.872 5.139 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.692 -7.592 5.051 1.00 0.13 C ATOM 0 H LEU B 51 9.934 -7.846 1.588 1.00 0.17 H new ATOM 0 HA LEU B 51 9.369 -10.162 3.140 1.00 0.17 H new ATOM 0 HB2 LEU B 51 9.043 -7.797 3.827 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.822 -7.607 2.584 1.00 0.14 H new ATOM 0 HG LEU B 51 6.354 -9.191 3.705 1.00 0.12 H new ATOM 0 HD11 LEU B 51 6.985 -10.194 5.840 1.00 0.14 H new ATOM 0 HD12 LEU B 51 8.064 -10.718 4.525 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.614 -9.493 5.692 1.00 0.14 H new ATOM 0 HD21 LEU B 51 5.927 -7.929 5.751 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.517 -7.143 5.604 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.264 -6.852 4.374 1.00 0.13 H new ATOM 1298 N ASN B 52 7.537 -9.487 0.526 1.00 0.18 N ATOM 1299 CA ASN B 52 6.612 -10.035 -0.444 1.00 0.26 C ATOM 1300 C ASN B 52 7.237 -11.245 -1.108 1.00 0.37 C ATOM 1301 O ASN B 52 6.548 -12.088 -1.650 1.00 0.63 O ATOM 1302 CB ASN B 52 6.233 -8.975 -1.474 1.00 0.40 C ATOM 1303 CG ASN B 52 4.852 -9.198 -2.051 1.00 0.79 C ATOM 1304 OD1 ASN B 52 3.848 -8.778 -1.482 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.780 -9.861 -3.177 1.00 0.29 N ATOM 0 H ASN B 52 7.897 -8.564 0.283 1.00 0.18 H new ATOM 0 HA ASN B 52 5.698 -10.348 0.061 1.00 0.26 H new ATOM 0 HB2 ASN B 52 6.275 -7.990 -1.009 1.00 0.40 H new ATOM 0 HB3 ASN B 52 6.966 -8.978 -2.281 1.00 0.40 H new ATOM 0 HD21 ASN B 52 3.872 -10.041 -3.605 1.00 0.29 H new ATOM 0 HD22 ASN B 52 5.632 -10.197 -3.626 1.00 0.29 H new ATOM 1312 N ASP B 53 8.555 -11.288 -1.078 1.00 0.31 N ATOM 1313 CA ASP B 53 9.322 -12.457 -1.494 1.00 0.37 C ATOM 1314 C ASP B 53 9.363 -13.483 -0.382 1.00 0.38 C ATOM 1315 O ASP B 53 9.344 -14.687 -0.624 1.00 0.47 O ATOM 1316 CB ASP B 53 10.754 -12.056 -1.832 1.00 0.38 C ATOM 1317 CG ASP B 53 10.969 -11.815 -3.313 1.00 0.93 C ATOM 1318 OD1 ASP B 53 10.323 -10.916 -3.887 1.00 1.71 O ATOM 1319 OD2 ASP B 53 11.781 -12.543 -3.922 1.00 1.59 O ATOM 0 H ASP B 53 9.133 -10.509 -0.762 1.00 0.31 H new ATOM 0 HA ASP B 53 8.837 -12.882 -2.373 1.00 0.37 H new ATOM 0 HB2 ASP B 53 11.011 -11.151 -1.281 1.00 0.38 H new ATOM 0 HB3 ASP B 53 11.434 -12.839 -1.495 1.00 0.38 H new ATOM 1324 N ALA B 54 9.428 -12.980 0.841 1.00 0.30 N ATOM 1325 CA ALA B 54 9.707 -13.801 2.001 1.00 0.30 C ATOM 1326 C ALA B 54 8.581 -14.775 2.292 1.00 0.27 C ATOM 1327 O ALA B 54 8.801 -15.945 2.602 1.00 0.32 O ATOM 1328 CB ALA B 54 9.910 -12.915 3.215 1.00 0.27 C ATOM 0 H ALA B 54 9.289 -11.992 1.054 1.00 0.30 H new ATOM 0 HA ALA B 54 10.609 -14.374 1.786 1.00 0.30 H new ATOM 0 HB1 ALA B 54 10.120 -13.535 4.087 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.749 -12.242 3.038 1.00 0.27 H new ATOM 0 HB3 ALA B 54 9.007 -12.331 3.394 1.00 0.27 H new ATOM 1334 N GLN B 55 7.371 -14.263 2.194 1.00 0.23 N ATOM 1335 CA GLN B 55 6.185 -15.012 2.564 1.00 0.23 C ATOM 1336 C GLN B 55 5.486 -15.534 1.326 1.00 0.27 C ATOM 1337 O GLN B 55 4.535 -16.309 1.410 1.00 0.34 O ATOM 1338 CB GLN B 55 5.252 -14.101 3.330 1.00 0.21 C ATOM 1339 CG GLN B 55 5.909 -13.425 4.503 1.00 0.18 C ATOM 1340 CD GLN B 55 5.011 -12.381 5.096 1.00 0.20 C ATOM 1341 OE1 GLN B 55 4.977 -11.241 4.449 1.00 0.27 O flip ATOM 1342 NE2 GLN B 55 4.303 -12.619 6.071 1.00 0.19 N flip ATOM 0 H GLN B 55 7.181 -13.319 1.857 1.00 0.23 H new ATOM 0 HA GLN B 55 6.471 -15.861 3.185 1.00 0.23 H new ATOM 0 HB2 GLN B 55 4.862 -13.341 2.654 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.400 -14.681 3.684 1.00 0.21 H new ATOM 0 HG2 GLN B 55 6.159 -14.167 5.261 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.845 -12.966 4.185 1.00 0.18 H new ATOM 0 HE21 GLN B 55 4.368 -13.523 6.540 1.00 0.19 H new ATOM 0 HE22 GLN B 55 3.651 -11.913 6.412 1.00 0.19 H new ATOM 1351 N ALA B 56 5.967 -15.071 0.181 1.00 0.27 N ATOM 1352 CA ALA B 56 5.404 -15.411 -1.112 1.00 0.32 C ATOM 1353 C ALA B 56 5.197 -16.918 -1.315 1.00 0.38 C ATOM 1354 O ALA B 56 4.098 -17.341 -1.689 1.00 0.41 O ATOM 1355 CB ALA B 56 6.300 -14.847 -2.187 1.00 0.39 C ATOM 0 H ALA B 56 6.768 -14.442 0.126 1.00 0.27 H new ATOM 0 HA ALA B 56 4.408 -14.971 -1.167 1.00 0.32 H new ATOM 0 HB1 ALA B 56 5.892 -15.093 -3.167 1.00 0.39 H new ATOM 0 HB2 ALA B 56 6.359 -13.764 -2.080 1.00 0.39 H new ATOM 0 HB3 ALA B 56 7.297 -15.276 -2.091 1.00 0.39 H new ATOM 1361 N PRO B 57 6.225 -17.761 -1.077 1.00 0.48 N ATOM 1362 CA PRO B 57 6.122 -19.191 -1.309 1.00 0.59 C ATOM 1363 C PRO B 57 5.503 -19.923 -0.121 1.00 0.69 C ATOM 1364 O PRO B 57 5.959 -19.791 1.018 1.00 0.78 O ATOM 1365 CB PRO B 57 7.579 -19.633 -1.526 1.00 0.71 C ATOM 1366 CG PRO B 57 8.436 -18.435 -1.236 1.00 0.70 C ATOM 1367 CD PRO B 57 7.558 -17.422 -0.563 1.00 0.54 C ATOM 0 HA PRO B 57 5.473 -19.422 -2.153 1.00 0.59 H new ATOM 0 HB2 PRO B 57 7.835 -20.462 -0.866 1.00 0.71 H new ATOM 0 HB3 PRO B 57 7.731 -19.980 -2.548 1.00 0.71 H new ATOM 0 HG2 PRO B 57 9.274 -18.706 -0.594 1.00 0.70 H new ATOM 0 HG3 PRO B 57 8.857 -18.030 -2.156 1.00 0.70 H new ATOM 0 HD2 PRO B 57 7.606 -17.502 0.523 1.00 0.54 H new ATOM 0 HD3 PRO B 57 7.844 -16.402 -0.821 1.00 0.54 H new ATOM 1375 N LYS B 58 4.449 -20.676 -0.393 1.00 0.90 N ATOM 1376 CA LYS B 58 3.782 -21.466 0.629 1.00 1.10 C ATOM 1377 C LYS B 58 4.616 -22.696 0.981 1.00 1.70 C ATOM 1378 O LYS B 58 4.963 -23.468 0.063 1.00 2.13 O ATOM 1379 CB LYS B 58 2.378 -21.871 0.165 1.00 1.40 C ATOM 1380 CG LYS B 58 2.351 -22.556 -1.193 1.00 1.73 C ATOM 1381 CD LYS B 58 0.933 -22.868 -1.637 1.00 2.38 C ATOM 1382 CE LYS B 58 0.907 -23.442 -3.044 1.00 2.95 C ATOM 1383 NZ LYS B 58 1.373 -22.456 -4.058 1.00 3.49 N ATOM 1384 OXT LYS B 58 4.918 -22.886 2.176 1.00 2.35 O ATOM 0 H LYS B 58 4.034 -20.757 -1.321 1.00 0.90 H new ATOM 0 HA LYS B 58 3.679 -20.857 1.527 1.00 1.10 H new ATOM 0 HB2 LYS B 58 1.940 -22.539 0.907 1.00 1.40 H new ATOM 0 HB3 LYS B 58 1.749 -20.982 0.125 1.00 1.40 H new ATOM 0 HG2 LYS B 58 2.831 -21.916 -1.933 1.00 1.73 H new ATOM 0 HG3 LYS B 58 2.929 -23.479 -1.147 1.00 1.73 H new ATOM 0 HD2 LYS B 58 0.481 -23.578 -0.944 1.00 2.38 H new ATOM 0 HD3 LYS B 58 0.331 -21.960 -1.601 1.00 2.38 H new ATOM 0 HE2 LYS B 58 1.538 -24.330 -3.085 1.00 2.95 H new ATOM 0 HE3 LYS B 58 -0.107 -23.760 -3.287 1.00 2.95 H new ATOM 0 HZ1 LYS B 58 1.091 -22.775 -5.007 1.00 3.49 H new ATOM 0 HZ2 LYS B 58 0.945 -21.529 -3.863 1.00 3.49 H new ATOM 0 HZ3 LYS B 58 2.409 -22.375 -4.013 1.00 3.49 H new TER 1398 LYS B 58 ATOM 1399 N GLU C 35 -12.158 -9.015 -6.029 1.00 1.19 N ATOM 1400 CA GLU C 35 -12.881 -9.221 -4.757 1.00 1.03 C ATOM 1401 C GLU C 35 -12.133 -8.575 -3.598 1.00 0.71 C ATOM 1402 O GLU C 35 -12.263 -9.004 -2.452 1.00 1.01 O ATOM 1403 CB GLU C 35 -13.050 -10.717 -4.489 1.00 1.88 C ATOM 1404 CG GLU C 35 -14.089 -11.385 -5.370 1.00 2.46 C ATOM 1405 CD GLU C 35 -15.486 -10.881 -5.085 1.00 2.78 C ATOM 1406 OE1 GLU C 35 -16.072 -11.292 -4.059 1.00 3.32 O ATOM 1407 OE2 GLU C 35 -15.999 -10.059 -5.870 1.00 3.05 O ATOM 0 HA GLU C 35 -13.862 -8.753 -4.842 1.00 1.03 H new ATOM 0 HB2 GLU C 35 -12.091 -11.213 -4.635 1.00 1.88 H new ATOM 0 HB3 GLU C 35 -13.327 -10.860 -3.445 1.00 1.88 H new ATOM 0 HG2 GLU C 35 -13.846 -11.205 -6.417 1.00 2.46 H new ATOM 0 HG3 GLU C 35 -14.055 -12.464 -5.216 1.00 2.46 H new ATOM 1416 N GLY C 36 -11.358 -7.537 -3.889 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.595 -6.889 -2.849 1.00 0.20 C ATOM 1418 C GLY C 36 -9.756 -5.747 -3.366 1.00 0.15 C ATOM 1419 O GLY C 36 -9.955 -5.270 -4.483 1.00 0.22 O ATOM 0 H GLY C 36 -11.247 -7.137 -4.821 1.00 0.40 H new ATOM 0 HA2 GLY C 36 -11.276 -6.516 -2.084 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -9.947 -7.622 -2.369 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.825 -5.299 -2.542 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.910 -4.232 -2.909 1.00 0.09 C ATOM 1425 C VAL C 37 -6.477 -4.734 -2.759 1.00 0.10 C ATOM 1426 O VAL C 37 -6.165 -5.482 -1.828 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.120 -2.986 -2.019 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.565 -2.520 -2.076 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.708 -3.266 -0.583 1.00 0.10 C ATOM 0 H VAL C 37 -8.682 -5.664 -1.600 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.103 -3.945 -3.943 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.485 -2.189 -2.406 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.689 -1.642 -1.442 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.825 -2.266 -3.104 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.219 -3.318 -1.723 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.866 -2.373 0.022 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.308 -4.084 -0.185 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.654 -3.542 -0.554 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.621 -4.374 -3.690 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.222 -4.767 -3.627 1.00 0.11 C ATOM 1441 C LEU C 38 -3.341 -3.584 -3.243 1.00 0.12 C ATOM 1442 O LEU C 38 -3.494 -2.490 -3.777 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.801 -5.372 -4.977 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.293 -5.480 -5.250 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -1.575 -6.088 -4.079 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -2.016 -6.318 -6.485 1.00 0.74 C ATOM 0 H LEU C 38 -5.866 -3.809 -4.503 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.095 -5.523 -2.852 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.231 -6.371 -5.050 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.248 -4.773 -5.771 1.00 0.13 H new ATOM 0 HG LEU C 38 -1.926 -4.467 -5.414 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -0.509 -6.153 -4.299 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -1.726 -5.466 -3.197 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -1.968 -7.087 -3.890 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -0.940 -6.376 -6.652 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -2.415 -7.322 -6.341 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -2.493 -5.859 -7.351 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.425 -3.810 -2.308 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.458 -2.799 -1.940 1.00 0.10 C ATOM 1460 C TYR C 39 -0.434 -2.695 -3.041 1.00 0.12 C ATOM 1461 O TYR C 39 0.314 -3.635 -3.313 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.763 -3.129 -0.620 1.00 0.14 C ATOM 1463 CG TYR C 39 0.221 -2.062 -0.173 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.493 -1.974 -0.733 1.00 1.09 C ATOM 1465 CD2 TYR C 39 -0.119 -1.145 0.811 1.00 1.12 C ATOM 1466 CE1 TYR C 39 2.391 -1.010 -0.323 1.00 1.09 C ATOM 1467 CE2 TYR C 39 0.773 -0.177 1.224 1.00 1.12 C ATOM 1468 CZ TYR C 39 2.027 -0.113 0.653 1.00 0.16 C ATOM 1469 OH TYR C 39 2.921 0.844 1.070 1.00 0.17 O ATOM 0 H TYR C 39 -2.337 -4.687 -1.794 1.00 0.10 H new ATOM 0 HA TYR C 39 -1.980 -1.852 -1.805 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.517 -3.265 0.155 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.237 -4.078 -0.722 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.782 -2.674 -1.503 1.00 1.09 H new ATOM 0 HD2 TYR C 39 -1.099 -1.190 1.262 1.00 1.12 H new ATOM 0 HE1 TYR C 39 3.375 -0.960 -0.766 1.00 1.09 H new ATOM 0 HE2 TYR C 39 0.490 0.528 1.992 1.00 1.12 H new ATOM 0 HH TYR C 39 3.825 0.591 0.790 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.419 -1.564 -3.681 1.00 0.10 N ATOM 1480 CA VAL C 40 0.532 -1.320 -4.734 1.00 0.11 C ATOM 1481 C VAL C 40 1.324 -0.059 -4.450 1.00 0.10 C ATOM 1482 O VAL C 40 0.859 0.844 -3.760 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.175 -1.204 -6.095 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.096 -0.015 -6.113 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.824 -1.100 -7.227 1.00 0.13 C ATOM 0 H VAL C 40 -1.056 -0.790 -3.494 1.00 0.10 H new ATOM 0 HA VAL C 40 1.218 -2.166 -4.773 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.762 -2.111 -6.240 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.587 0.050 -7.084 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.849 -0.126 -5.333 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.521 0.894 -5.936 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.292 -1.019 -8.175 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.446 -0.216 -7.083 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.454 -1.989 -7.239 1.00 0.13 H new ATOM 1495 N GLY C 41 2.528 -0.019 -4.959 1.00 0.10 N ATOM 1496 CA GLY C 41 3.338 1.154 -4.845 1.00 0.09 C ATOM 1497 C GLY C 41 3.859 1.577 -6.188 1.00 0.09 C ATOM 1498 O GLY C 41 3.785 0.816 -7.148 1.00 0.09 O ATOM 0 H GLY C 41 2.966 -0.793 -5.458 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.754 1.963 -4.406 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.173 0.961 -4.171 1.00 0.09 H new ATOM 1502 N SER C 42 4.403 2.768 -6.259 1.00 0.11 N ATOM 1503 CA SER C 42 4.956 3.266 -7.499 1.00 0.12 C ATOM 1504 C SER C 42 6.287 3.933 -7.221 1.00 0.15 C ATOM 1505 O SER C 42 6.384 4.864 -6.418 1.00 0.17 O ATOM 1506 CB SER C 42 3.986 4.223 -8.199 1.00 0.12 C ATOM 1507 OG SER C 42 4.448 4.565 -9.493 1.00 0.15 O ATOM 0 H SER C 42 4.475 3.413 -5.472 1.00 0.11 H new ATOM 0 HA SER C 42 5.115 2.428 -8.178 1.00 0.12 H new ATOM 0 HB2 SER C 42 3.002 3.759 -8.272 1.00 0.12 H new ATOM 0 HB3 SER C 42 3.868 5.127 -7.601 1.00 0.12 H new ATOM 0 HG SER C 42 3.809 5.175 -9.918 1.00 0.15 H new ATOM 1513 N LYS C 43 7.309 3.406 -7.859 1.00 0.16 N ATOM 1514 CA LYS C 43 8.672 3.834 -7.653 1.00 0.19 C ATOM 1515 C LYS C 43 8.963 5.113 -8.422 1.00 0.19 C ATOM 1516 O LYS C 43 9.107 5.094 -9.637 1.00 0.19 O ATOM 1517 CB LYS C 43 9.591 2.733 -8.132 1.00 0.20 C ATOM 1518 CG LYS C 43 11.029 2.958 -7.779 1.00 0.23 C ATOM 1519 CD LYS C 43 11.241 2.830 -6.292 1.00 0.28 C ATOM 1520 CE LYS C 43 12.616 3.287 -5.878 1.00 0.34 C ATOM 1521 NZ LYS C 43 13.681 2.820 -6.810 1.00 0.89 N ATOM 0 H LYS C 43 7.213 2.657 -8.545 1.00 0.16 H new ATOM 0 HA LYS C 43 8.831 4.035 -6.594 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.264 1.786 -7.703 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.501 2.641 -9.214 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.654 2.236 -8.304 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.339 3.949 -8.111 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.489 3.419 -5.766 1.00 0.28 H new ATOM 0 HD3 LYS C 43 11.099 1.791 -5.993 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.633 4.376 -5.829 1.00 0.34 H new ATOM 0 HE3 LYS C 43 12.830 2.919 -4.874 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 14.612 2.951 -6.366 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.538 1.812 -7.024 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 13.637 3.370 -7.691 1.00 0.89 H new ATOM 1535 N THR C 44 9.093 6.207 -7.709 1.00 0.23 N ATOM 1536 CA THR C 44 9.158 7.521 -8.335 1.00 0.26 C ATOM 1537 C THR C 44 10.371 8.323 -7.848 1.00 0.34 C ATOM 1538 O THR C 44 11.380 7.744 -7.441 1.00 0.37 O ATOM 1539 CB THR C 44 7.871 8.314 -8.043 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.808 8.653 -6.648 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.629 7.521 -8.415 1.00 0.26 C ATOM 0 H THR C 44 9.157 6.220 -6.691 1.00 0.23 H new ATOM 0 HA THR C 44 9.261 7.365 -9.409 1.00 0.26 H new ATOM 0 HB THR C 44 7.899 9.219 -8.649 1.00 0.30 H new ATOM 0 HG1 THR C 44 6.987 9.159 -6.471 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.740 8.112 -8.195 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.653 7.285 -9.479 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.601 6.596 -7.838 1.00 0.26 H new ATOM 1549 N LYS C 45 10.273 9.653 -7.913 1.00 0.40 N ATOM 1550 CA LYS C 45 11.328 10.535 -7.425 1.00 0.49 C ATOM 1551 C LYS C 45 11.407 10.470 -5.904 1.00 0.50 C ATOM 1552 O LYS C 45 12.495 10.374 -5.334 1.00 0.57 O ATOM 1553 CB LYS C 45 11.076 11.972 -7.885 1.00 0.59 C ATOM 1554 CG LYS C 45 12.207 12.930 -7.544 1.00 1.53 C ATOM 1555 CD LYS C 45 11.917 14.340 -8.034 1.00 2.10 C ATOM 1556 CE LYS C 45 11.752 14.395 -9.546 1.00 2.43 C ATOM 1557 NZ LYS C 45 12.976 13.943 -10.260 1.00 3.18 N ATOM 0 H LYS C 45 9.467 10.142 -8.302 1.00 0.40 H new ATOM 0 HA LYS C 45 12.280 10.202 -7.838 1.00 0.49 H new ATOM 0 HB2 LYS C 45 10.920 11.977 -8.964 1.00 0.59 H new ATOM 0 HB3 LYS C 45 10.155 12.334 -7.428 1.00 0.59 H new ATOM 0 HG2 LYS C 45 12.359 12.944 -6.465 1.00 1.53 H new ATOM 0 HG3 LYS C 45 13.134 12.573 -7.992 1.00 1.53 H new ATOM 0 HD2 LYS C 45 11.010 14.710 -7.557 1.00 2.10 H new ATOM 0 HD3 LYS C 45 12.729 15.002 -7.733 1.00 2.10 H new ATOM 0 HE2 LYS C 45 10.909 13.770 -9.841 1.00 2.43 H new ATOM 0 HE3 LYS C 45 11.513 15.415 -9.847 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 12.884 14.154 -11.274 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 13.805 14.440 -9.876 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 13.096 12.918 -10.129 1.00 3.18 H new ATOM 1571 N GLU C 46 10.249 10.502 -5.246 1.00 0.47 N ATOM 1572 CA GLU C 46 10.195 10.250 -3.811 1.00 0.51 C ATOM 1573 C GLU C 46 10.513 8.784 -3.606 1.00 0.48 C ATOM 1574 O GLU C 46 11.159 8.384 -2.640 1.00 0.55 O ATOM 1575 CB GLU C 46 8.809 10.567 -3.249 1.00 0.51 C ATOM 1576 CG GLU C 46 8.379 12.008 -3.450 1.00 0.63 C ATOM 1577 CD GLU C 46 6.997 12.278 -2.899 1.00 0.73 C ATOM 1578 OE1 GLU C 46 6.877 12.546 -1.684 1.00 0.88 O ATOM 1579 OE2 GLU C 46 6.020 12.221 -3.677 1.00 0.72 O ATOM 0 H GLU C 46 9.347 10.698 -5.679 1.00 0.47 H new ATOM 0 HA GLU C 46 10.909 10.887 -3.290 1.00 0.51 H new ATOM 0 HB2 GLU C 46 8.078 9.911 -3.721 1.00 0.51 H new ATOM 0 HB3 GLU C 46 8.800 10.341 -2.183 1.00 0.51 H new ATOM 0 HG2 GLU C 46 9.097 12.670 -2.965 1.00 0.63 H new ATOM 0 HG3 GLU C 46 8.396 12.245 -4.514 1.00 0.63 H new ATOM 1586 N GLY C 47 10.022 8.003 -4.548 1.00 0.38 N ATOM 1587 CA GLY C 47 10.491 6.661 -4.766 1.00 0.40 C ATOM 1588 C GLY C 47 9.510 5.600 -4.357 1.00 0.31 C ATOM 1589 O GLY C 47 9.554 4.509 -4.886 1.00 0.38 O ATOM 0 H GLY C 47 9.280 8.291 -5.186 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.727 6.536 -5.823 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.419 6.517 -4.213 1.00 0.40 H new ATOM 1593 N VAL C 48 8.570 5.921 -3.494 1.00 0.21 N ATOM 1594 CA VAL C 48 7.533 4.965 -3.140 1.00 0.15 C ATOM 1595 C VAL C 48 6.261 5.686 -2.735 1.00 0.10 C ATOM 1596 O VAL C 48 6.268 6.521 -1.832 1.00 0.12 O ATOM 1597 CB VAL C 48 7.983 3.980 -2.018 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.812 3.216 -1.441 1.00 0.15 C ATOM 1599 CG2 VAL C 48 9.009 2.992 -2.539 1.00 0.20 C ATOM 0 H VAL C 48 8.499 6.825 -3.027 1.00 0.21 H new ATOM 0 HA VAL C 48 7.338 4.366 -4.029 1.00 0.15 H new ATOM 0 HB VAL C 48 8.429 4.587 -1.230 1.00 0.15 H new ATOM 0 HG11 VAL C 48 7.166 2.540 -0.663 1.00 0.15 H new ATOM 0 HG12 VAL C 48 6.095 3.917 -1.014 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.330 2.639 -2.230 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.305 2.317 -1.736 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.576 2.415 -3.356 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.884 3.532 -2.900 1.00 0.20 H new ATOM 1609 N VAL C 49 5.183 5.388 -3.435 1.00 0.09 N ATOM 1610 CA VAL C 49 3.873 5.855 -3.037 1.00 0.07 C ATOM 1611 C VAL C 49 2.980 4.665 -2.749 1.00 0.08 C ATOM 1612 O VAL C 49 3.035 3.657 -3.447 1.00 0.12 O ATOM 1613 CB VAL C 49 3.209 6.760 -4.100 1.00 0.07 C ATOM 1614 CG1 VAL C 49 3.056 6.029 -5.429 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.862 7.252 -3.591 1.00 0.09 C ATOM 0 H VAL C 49 5.191 4.823 -4.284 1.00 0.09 H new ATOM 0 HA VAL C 49 4.004 6.461 -2.141 1.00 0.07 H new ATOM 0 HB VAL C 49 3.854 7.621 -4.275 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.586 6.691 -6.156 1.00 0.07 H new ATOM 0 HG12 VAL C 49 4.038 5.728 -5.794 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.434 5.145 -5.288 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.399 7.889 -4.344 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.215 6.398 -3.391 1.00 0.09 H new ATOM 0 HG23 VAL C 49 2.006 7.822 -2.673 1.00 0.09 H new ATOM 1625 N HIS C 50 2.180 4.780 -1.714 1.00 0.08 N ATOM 1626 CA HIS C 50 1.313 3.697 -1.297 1.00 0.09 C ATOM 1627 C HIS C 50 -0.051 3.878 -1.929 1.00 0.07 C ATOM 1628 O HIS C 50 -0.781 4.820 -1.610 1.00 0.09 O ATOM 1629 CB HIS C 50 1.186 3.673 0.228 1.00 0.13 C ATOM 1630 CG HIS C 50 2.338 4.327 0.925 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.585 3.759 0.955 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.384 5.530 1.537 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.359 4.625 1.579 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.676 5.718 1.952 1.00 0.26 N ATOM 0 H HIS C 50 2.110 5.620 -1.139 1.00 0.08 H new ATOM 0 HA HIS C 50 1.742 2.749 -1.621 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.262 4.174 0.517 1.00 0.13 H new ATOM 0 HB3 HIS C 50 1.106 2.639 0.563 1.00 0.13 H new ATOM 0 HD1 HIS C 50 3.858 2.853 0.573 1.00 0.23 H new ATOM 0 HD2 HIS C 50 1.559 6.214 1.673 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.412 4.473 1.767 1.00 0.28 H new ATOM 1642 N GLY C 51 -0.374 3.004 -2.850 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.651 3.059 -3.498 1.00 0.05 C ATOM 1644 C GLY C 51 -2.368 1.745 -3.409 1.00 0.06 C ATOM 1645 O GLY C 51 -1.907 0.819 -2.738 1.00 0.07 O ATOM 0 H GLY C 51 0.233 2.247 -3.165 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.260 3.839 -3.040 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.518 3.332 -4.545 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.486 1.645 -4.090 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.285 0.448 -4.019 1.00 0.08 C ATOM 1651 C VAL C 52 -4.859 0.094 -5.368 1.00 0.09 C ATOM 1652 O VAL C 52 -5.413 0.936 -6.064 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.410 0.549 -2.937 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.670 1.988 -2.510 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.710 -0.062 -3.416 1.00 0.08 C ATOM 0 H VAL C 52 -3.860 2.375 -4.696 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.619 -0.358 -3.711 1.00 0.08 H new ATOM 0 HB VAL C 52 -5.044 -0.013 -2.078 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.459 2.007 -1.758 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.758 2.414 -2.091 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -5.979 2.574 -3.375 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.465 0.029 -2.635 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -7.049 0.460 -4.311 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.553 -1.115 -3.648 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.713 -1.164 -5.722 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.251 -1.671 -6.951 1.00 0.10 C ATOM 1667 C ALA C 53 -6.493 -2.465 -6.632 1.00 0.09 C ATOM 1668 O ALA C 53 -6.417 -3.562 -6.088 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.228 -2.544 -7.659 1.00 0.11 C ATOM 0 H ALA C 53 -4.218 -1.858 -5.162 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.499 -0.845 -7.617 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.653 -2.920 -8.590 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.337 -1.955 -7.879 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -3.959 -3.383 -7.017 1.00 0.11 H new ATOM 1675 N THR C 54 -7.634 -1.913 -6.954 1.00 0.09 N ATOM 1676 CA THR C 54 -8.884 -2.544 -6.571 1.00 0.12 C ATOM 1677 C THR C 54 -9.284 -3.568 -7.613 1.00 0.19 C ATOM 1678 O THR C 54 -9.587 -3.228 -8.749 1.00 0.45 O ATOM 1679 CB THR C 54 -10.005 -1.508 -6.349 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.296 -2.132 -6.383 1.00 0.23 O ATOM 1681 CG2 THR C 54 -9.929 -0.406 -7.383 1.00 0.14 C ATOM 0 H THR C 54 -7.731 -1.040 -7.473 1.00 0.09 H new ATOM 0 HA THR C 54 -8.731 -3.051 -5.618 1.00 0.12 H new ATOM 0 HB THR C 54 -9.862 -1.069 -5.362 1.00 0.14 H new ATOM 0 HG1 THR C 54 -11.990 -1.456 -6.238 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.729 0.313 -7.207 1.00 0.14 H new ATOM 0 HG22 THR C 54 -8.965 0.097 -7.308 1.00 0.14 H new ATOM 0 HG23 THR C 54 -10.038 -0.834 -8.380 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.280 -4.820 -7.205 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.460 -5.932 -8.118 1.00 0.29 C ATOM 1691 C VAL C 55 -10.899 -6.435 -8.096 1.00 0.36 C ATOM 1692 O VAL C 55 -11.488 -6.633 -7.030 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.471 -7.074 -7.780 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -8.396 -7.307 -6.274 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -8.836 -8.363 -8.505 1.00 0.39 C ATOM 0 H VAL C 55 -9.152 -5.097 -6.232 1.00 0.23 H new ATOM 0 HA VAL C 55 -9.248 -5.580 -9.128 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.486 -6.764 -8.128 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.694 -8.114 -6.065 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -8.058 -6.396 -5.781 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -9.383 -7.578 -5.898 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -8.120 -9.142 -8.244 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -9.837 -8.676 -8.209 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -8.812 -8.194 -9.582 1.00 0.39 H new ATOM 1705 N ALA C 56 -11.460 -6.619 -9.283 1.00 0.49 N ATOM 1706 CA ALA C 56 -12.822 -7.087 -9.432 1.00 0.64 C ATOM 1707 C ALA C 56 -12.876 -8.604 -9.355 1.00 0.75 C ATOM 1708 O ALA C 56 -12.412 -9.264 -10.308 1.00 1.43 O ATOM 1709 CB ALA C 56 -13.391 -6.604 -10.752 1.00 0.86 C ATOM 1710 OXT ALA C 56 -13.379 -9.132 -8.345 1.00 1.16 O ATOM 0 H ALA C 56 -10.980 -6.447 -10.167 1.00 0.49 H new ATOM 0 HA ALA C 56 -13.424 -6.682 -8.618 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -14.416 -6.959 -10.858 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -13.380 -5.514 -10.776 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -12.786 -6.991 -11.572 1.00 0.86 H new TER 1716 ALA C 56