USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 6 LYS NZ :NH3+ -168:sc= 0.0154 (180deg=0) USER MOD Set 1.2: B 68 HIS : no HE2:sc= 0.017 X(o=0.032,f=0) USER MOD Set 2.1: A 33 SER OG : rot -154:sc= 0.0842 USER MOD Set 2.2: B 55 THR OG1 : rot 115:sc= 0.77 USER MOD Set 2.3: B 57 SER OG : rot -170:sc= 0.623 USER MOD Set 3.1: B 1 MET CE :methyl -171:sc= -0.259 (180deg=-0.426) USER MOD Set 3.2: B 19 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 7 THR OG1 : rot 110:sc= 1.05 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.894 USER MOD Set 5.1: A 16 CYS SG : rot -127:sc= 0.132 USER MOD Set 5.2: A 18 THR OG1 : rot -170:sc= 1.08 USER MOD Set 5.3: A 20 CYS SG : rot -106:sc= 0.384 USER MOD Set 5.4: A 32 CYS SG : rot -125:sc= 0.26 USER MOD Set 5.5: A 35 CYS SG : rot 89:sc= 0.0369 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.099 K(o=-0.099,f=-0.73) USER MOD Single : A 28 THR OG1 : rot -21:sc= 1.01 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 31 MET CE :methyl 152:sc= -0.0591 (180deg=-0.128) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -1.85 F(o=-4.2,f=-1.8) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.9!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.463 K(o=-0.46,f=-1.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 179:sc= 1.59 (180deg=1.59) USER MOD Single : B 2 GLN :FLIP amide:sc= 0.0275 F(o=-2.1,f=0.027) USER MOD Single : B 11 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000646) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -81:sc= 0.0841 USER MOD Single : B 20 SER OG : rot 180:sc= 0.00291 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.23 USER MOD Single : B 25 ASN :FLIP amide:sc= -0.138 F(o=-4!,f=-0.14) USER MOD Single : B 27 LYS NZ :NH3+ -147:sc= 0.0883 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.703 X(o=-0.7,f=-1) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0602 F(o=-1.7!,f=-0.06) USER MOD Single : B 41 GLN : amide:sc= -2.14! K(o=-2.1!,f=-3.9) USER MOD Single : B 48 LYS NZ :NH3+ -157:sc= 0.221 (180deg=0.0325) USER MOD Single : B 49 GLN : amide:sc= -0.0074 X(o=-0.0074,f=-0.42) USER MOD Single : B 59 TYR OH : rot -39:sc= 0.0219 USER MOD Single : B 60 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.5!) USER MOD Single : B 62 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 89:sc= 0.599 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 13 7.921 -11.284 -3.020 1.00 10.00 N ATOM 9 CA PRO A 13 8.193 -10.168 -3.932 1.00 10.00 C ATOM 10 C PRO A 13 6.979 -9.255 -4.102 1.00 10.00 C ATOM 11 O PRO A 13 6.270 -9.327 -5.110 1.00 10.00 O ATOM 12 CB PRO A 13 8.572 -10.853 -5.253 1.00 10.00 C ATOM 13 CG PRO A 13 7.956 -12.214 -5.187 1.00 10.00 C ATOM 14 CD PRO A 13 7.870 -12.584 -3.723 1.00 10.00 C ATOM 0 HA PRO A 13 8.980 -9.514 -3.557 1.00 10.00 H new ATOM 0 HB2 PRO A 13 8.195 -10.292 -6.108 1.00 10.00 H new ATOM 0 HB3 PRO A 13 9.654 -10.917 -5.366 1.00 10.00 H new ATOM 0 HG2 PRO A 13 6.967 -12.213 -5.644 1.00 10.00 H new ATOM 0 HG3 PRO A 13 8.559 -12.938 -5.734 1.00 10.00 H new ATOM 0 HD2 PRO A 13 6.948 -13.122 -3.501 1.00 10.00 H new ATOM 0 HD3 PRO A 13 8.696 -13.231 -3.426 1.00 10.00 H new ATOM 22 N MET A 14 6.754 -8.391 -3.108 1.00 10.00 N ATOM 23 CA MET A 14 5.626 -7.461 -3.139 1.00 10.00 C ATOM 24 C MET A 14 5.949 -6.265 -4.038 1.00 10.00 C ATOM 25 O MET A 14 6.500 -5.260 -3.583 1.00 10.00 O ATOM 26 CB MET A 14 5.289 -6.989 -1.717 1.00 10.00 C ATOM 27 CG MET A 14 4.643 -8.137 -0.936 1.00 10.00 C ATOM 28 SD MET A 14 3.199 -8.748 -1.844 1.00 10.00 S ATOM 29 CE MET A 14 2.843 -10.175 -0.791 1.00 10.00 C ATOM 0 H MET A 14 7.338 -8.318 -2.275 1.00 10.00 H new ATOM 0 HA MET A 14 4.757 -7.976 -3.549 1.00 10.00 H new ATOM 0 HB2 MET A 14 6.194 -6.654 -1.210 1.00 10.00 H new ATOM 0 HB3 MET A 14 4.612 -6.136 -1.757 1.00 10.00 H new ATOM 0 HG2 MET A 14 5.363 -8.943 -0.791 1.00 10.00 H new ATOM 0 HG3 MET A 14 4.345 -7.794 0.055 1.00 10.00 H new ATOM 0 HE1 MET A 14 1.972 -10.704 -1.178 1.00 10.00 H new ATOM 0 HE2 MET A 14 3.702 -10.846 -0.785 1.00 10.00 H new ATOM 0 HE3 MET A 14 2.640 -9.836 0.225 1.00 10.00 H new ATOM 39 N LEU A 15 5.607 -6.394 -5.324 1.00 10.00 N ATOM 40 CA LEU A 15 5.865 -5.332 -6.297 1.00 10.00 C ATOM 41 C LEU A 15 4.872 -4.184 -6.105 1.00 10.00 C ATOM 42 O LEU A 15 3.717 -4.412 -5.749 1.00 10.00 O ATOM 43 CB LEU A 15 5.760 -5.907 -7.728 1.00 10.00 C ATOM 44 CG LEU A 15 7.063 -5.668 -8.512 1.00 10.00 C ATOM 45 CD1 LEU A 15 8.215 -6.450 -7.870 1.00 10.00 C ATOM 46 CD2 LEU A 15 6.874 -6.142 -9.954 1.00 10.00 C ATOM 0 H LEU A 15 5.153 -7.220 -5.713 1.00 10.00 H new ATOM 0 HA LEU A 15 6.871 -4.941 -6.145 1.00 10.00 H new ATOM 0 HB2 LEU A 15 5.550 -6.976 -7.681 1.00 10.00 H new ATOM 0 HB3 LEU A 15 4.925 -5.441 -8.251 1.00 10.00 H new ATOM 0 HG LEU A 15 7.301 -4.605 -8.496 1.00 10.00 H new ATOM 0 HD11 LEU A 15 9.132 -6.274 -8.432 1.00 10.00 H new ATOM 0 HD12 LEU A 15 8.351 -6.118 -6.841 1.00 10.00 H new ATOM 0 HD13 LEU A 15 7.982 -7.515 -7.880 1.00 10.00 H new ATOM 0 HD21 LEU A 15 7.793 -5.976 -10.515 1.00 10.00 H new ATOM 0 HD22 LEU A 15 6.633 -7.205 -9.959 1.00 10.00 H new ATOM 0 HD23 LEU A 15 6.060 -5.584 -10.417 1.00 10.00 H new ATOM 58 N CYS A 16 5.342 -2.947 -6.323 1.00 10.00 N ATOM 59 CA CYS A 16 4.509 -1.741 -6.154 1.00 10.00 C ATOM 60 C CYS A 16 3.096 -1.874 -6.749 1.00 10.00 C ATOM 61 O CYS A 16 2.921 -2.322 -7.882 1.00 10.00 O ATOM 62 CB CYS A 16 5.207 -0.537 -6.790 1.00 10.00 C ATOM 63 SG CYS A 16 4.503 0.988 -6.116 1.00 10.00 S ATOM 0 H CYS A 16 6.299 -2.752 -6.618 1.00 10.00 H new ATOM 0 HA CYS A 16 4.389 -1.604 -5.079 1.00 10.00 H new ATOM 0 HB2 CYS A 16 6.278 -0.576 -6.591 1.00 10.00 H new ATOM 0 HB3 CYS A 16 5.083 -0.561 -7.873 1.00 10.00 H new ATOM 0 HG CYS A 16 4.123 1.759 -7.092 1.00 10.00 H new ATOM 68 N SER A 17 2.104 -1.481 -5.947 1.00 10.00 N ATOM 69 CA SER A 17 0.701 -1.551 -6.357 1.00 10.00 C ATOM 70 C SER A 17 0.412 -0.603 -7.524 1.00 10.00 C ATOM 71 O SER A 17 -0.433 -0.901 -8.371 1.00 10.00 O ATOM 72 CB SER A 17 -0.207 -1.202 -5.177 1.00 10.00 C ATOM 73 OG SER A 17 0.063 -2.089 -4.101 1.00 10.00 O ATOM 0 H SER A 17 2.248 -1.110 -5.008 1.00 10.00 H new ATOM 0 HA SER A 17 0.500 -2.570 -6.687 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.038 -0.171 -4.865 1.00 10.00 H new ATOM 0 HB3 SER A 17 -1.253 -1.278 -5.473 1.00 10.00 H new ATOM 0 HG SER A 17 -0.516 -1.868 -3.342 1.00 10.00 H new ATOM 79 N THR A 18 1.109 0.536 -7.560 1.00 10.00 N ATOM 80 CA THR A 18 0.902 1.517 -8.629 1.00 10.00 C ATOM 81 C THR A 18 1.483 1.046 -9.975 1.00 10.00 C ATOM 82 O THR A 18 1.166 1.628 -11.013 1.00 10.00 O ATOM 83 CB THR A 18 1.524 2.862 -8.241 1.00 10.00 C ATOM 84 OG1 THR A 18 2.906 2.688 -7.982 1.00 10.00 O ATOM 85 CG2 THR A 18 0.831 3.409 -6.988 1.00 10.00 C ATOM 0 H THR A 18 1.813 0.800 -6.871 1.00 10.00 H new ATOM 0 HA THR A 18 -0.175 1.630 -8.755 1.00 10.00 H new ATOM 0 HB THR A 18 1.395 3.569 -9.061 1.00 10.00 H new ATOM 0 HG1 THR A 18 3.270 3.506 -7.584 1.00 10.00 H new ATOM 0 HG21 THR A 18 1.276 4.366 -6.715 1.00 10.00 H new ATOM 0 HG22 THR A 18 -0.231 3.547 -7.191 1.00 10.00 H new ATOM 0 HG23 THR A 18 0.955 2.703 -6.166 1.00 10.00 H new ATOM 93 N GLY A 19 2.316 -0.009 -9.964 1.00 10.00 N ATOM 94 CA GLY A 19 2.898 -0.529 -11.204 1.00 10.00 C ATOM 95 C GLY A 19 4.016 0.368 -11.723 1.00 10.00 C ATOM 96 O GLY A 19 4.085 0.641 -12.924 1.00 10.00 O ATOM 0 H GLY A 19 2.596 -0.510 -9.120 1.00 10.00 H new ATOM 0 HA2 GLY A 19 3.288 -1.532 -11.030 1.00 10.00 H new ATOM 0 HA3 GLY A 19 2.120 -0.616 -11.962 1.00 10.00 H new ATOM 100 N CYS A 20 4.891 0.822 -10.828 1.00 10.00 N ATOM 101 CA CYS A 20 5.994 1.697 -11.221 1.00 10.00 C ATOM 102 C CYS A 20 7.205 0.898 -11.749 1.00 10.00 C ATOM 103 O CYS A 20 8.075 1.463 -12.410 1.00 10.00 O ATOM 104 CB CYS A 20 6.404 2.595 -10.040 1.00 10.00 C ATOM 105 SG CYS A 20 7.192 1.692 -8.695 1.00 10.00 S ATOM 0 H CYS A 20 4.859 0.601 -9.833 1.00 10.00 H new ATOM 0 HA CYS A 20 5.645 2.326 -12.040 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.086 3.366 -10.399 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.520 3.105 -9.657 1.00 10.00 H new ATOM 0 HG CYS A 20 6.365 1.591 -7.697 1.00 10.00 H new ATOM 110 N GLY A 21 7.256 -0.417 -11.461 1.00 10.00 N ATOM 111 CA GLY A 21 8.363 -1.258 -11.942 1.00 10.00 C ATOM 112 C GLY A 21 9.484 -1.435 -10.907 1.00 10.00 C ATOM 113 O GLY A 21 10.509 -2.044 -11.215 1.00 10.00 O ATOM 0 H GLY A 21 6.556 -0.911 -10.907 1.00 10.00 H new ATOM 0 HA2 GLY A 21 7.973 -2.238 -12.217 1.00 10.00 H new ATOM 0 HA3 GLY A 21 8.780 -0.816 -12.847 1.00 10.00 H new ATOM 117 N PHE A 22 9.293 -0.909 -9.693 1.00 10.00 N ATOM 118 CA PHE A 22 10.302 -1.018 -8.640 1.00 10.00 C ATOM 119 C PHE A 22 9.791 -1.850 -7.475 1.00 10.00 C ATOM 120 O PHE A 22 8.709 -2.427 -7.553 1.00 10.00 O ATOM 121 CB PHE A 22 10.711 0.382 -8.183 1.00 10.00 C ATOM 122 CG PHE A 22 11.477 1.092 -9.265 1.00 10.00 C ATOM 123 CD1 PHE A 22 12.845 0.887 -9.398 1.00 10.00 C ATOM 124 CD2 PHE A 22 10.832 1.925 -10.171 1.00 10.00 C ATOM 125 CE1 PHE A 22 13.560 1.501 -10.412 1.00 10.00 C ATOM 126 CE2 PHE A 22 11.544 2.547 -11.187 1.00 10.00 C ATOM 127 CZ PHE A 22 12.910 2.334 -11.308 1.00 10.00 C ATOM 0 H PHE A 22 8.450 -0.405 -9.418 1.00 10.00 H new ATOM 0 HA PHE A 22 11.178 -1.530 -9.039 1.00 10.00 H new ATOM 0 HB2 PHE A 22 9.824 0.958 -7.921 1.00 10.00 H new ATOM 0 HB3 PHE A 22 11.323 0.312 -7.284 1.00 10.00 H new ATOM 0 HD1 PHE A 22 13.357 0.240 -8.701 1.00 10.00 H new ATOM 0 HD2 PHE A 22 9.768 2.090 -10.084 1.00 10.00 H new ATOM 0 HE1 PHE A 22 14.623 1.331 -10.504 1.00 10.00 H new ATOM 0 HE2 PHE A 22 11.035 3.197 -11.883 1.00 10.00 H new ATOM 0 HZ PHE A 22 13.465 2.817 -12.099 1.00 10.00 H new ATOM 137 N TYR A 23 10.575 -1.910 -6.402 1.00 10.00 N ATOM 138 CA TYR A 23 10.201 -2.682 -5.226 1.00 10.00 C ATOM 139 C TYR A 23 9.465 -1.818 -4.202 1.00 10.00 C ATOM 140 O TYR A 23 9.849 -0.680 -3.957 1.00 10.00 O ATOM 141 CB TYR A 23 11.438 -3.308 -4.582 1.00 10.00 C ATOM 142 CG TYR A 23 11.697 -4.707 -5.081 1.00 10.00 C ATOM 143 CD1 TYR A 23 12.423 -4.905 -6.247 1.00 10.00 C ATOM 144 CD2 TYR A 23 11.204 -5.821 -4.408 1.00 10.00 C ATOM 145 CE1 TYR A 23 12.658 -6.176 -6.737 1.00 10.00 C ATOM 146 CE2 TYR A 23 11.432 -7.099 -4.891 1.00 10.00 C ATOM 147 CZ TYR A 23 12.161 -7.271 -6.057 1.00 10.00 C ATOM 148 OH TYR A 23 12.395 -8.545 -6.537 1.00 10.00 O ATOM 0 H TYR A 23 11.473 -1.432 -6.325 1.00 10.00 H new ATOM 0 HA TYR A 23 9.527 -3.473 -5.553 1.00 10.00 H new ATOM 0 HB2 TYR A 23 12.308 -2.684 -4.789 1.00 10.00 H new ATOM 0 HB3 TYR A 23 11.310 -3.328 -3.500 1.00 10.00 H new ATOM 0 HD1 TYR A 23 12.811 -4.051 -6.781 1.00 10.00 H new ATOM 0 HD2 TYR A 23 10.637 -5.687 -3.499 1.00 10.00 H new ATOM 0 HE1 TYR A 23 13.226 -6.312 -7.645 1.00 10.00 H new ATOM 0 HE2 TYR A 23 11.044 -7.957 -4.362 1.00 10.00 H new ATOM 0 HH TYR A 23 11.978 -9.201 -5.940 1.00 10.00 H new ATOM 158 N GLY A 24 8.404 -2.375 -3.612 1.00 10.00 N ATOM 159 CA GLY A 24 7.624 -1.655 -2.614 1.00 10.00 C ATOM 160 C GLY A 24 7.956 -2.112 -1.204 1.00 10.00 C ATOM 161 O GLY A 24 8.164 -3.303 -0.968 1.00 10.00 O ATOM 0 H GLY A 24 8.070 -3.318 -3.810 1.00 10.00 H new ATOM 0 HA2 GLY A 24 7.816 -0.586 -2.704 1.00 10.00 H new ATOM 0 HA3 GLY A 24 6.561 -1.806 -2.805 1.00 10.00 H new ATOM 165 N ASN A 25 8.010 -1.169 -0.265 1.00 10.00 N ATOM 166 CA ASN A 25 8.322 -1.492 1.122 1.00 10.00 C ATOM 167 C ASN A 25 7.042 -1.721 1.927 1.00 10.00 C ATOM 168 O ASN A 25 6.169 -0.868 1.958 1.00 10.00 O ATOM 169 CB ASN A 25 9.108 -0.355 1.773 1.00 10.00 C ATOM 170 CG ASN A 25 10.517 -0.794 2.161 1.00 10.00 C ATOM 171 OD1 ASN A 25 11.130 -1.601 1.476 1.00 10.00 O ATOM 172 ND2 ASN A 25 11.053 -0.265 3.256 1.00 10.00 N ATOM 0 H ASN A 25 7.842 -0.178 -0.441 1.00 10.00 H new ATOM 0 HA ASN A 25 8.921 -2.403 1.121 1.00 10.00 H new ATOM 0 HB2 ASN A 25 9.166 0.488 1.085 1.00 10.00 H new ATOM 0 HB3 ASN A 25 8.578 -0.007 2.660 1.00 10.00 H new ATOM 0 HD21 ASN A 25 11.996 -0.530 3.542 1.00 10.00 H new ATOM 0 HD22 ASN A 25 10.522 0.406 3.811 1.00 10.00 H new ATOM 179 N PRO A 26 6.883 -2.875 2.601 1.00 10.00 N ATOM 180 CA PRO A 26 5.657 -3.149 3.418 1.00 10.00 C ATOM 181 C PRO A 26 5.559 -2.230 4.640 1.00 10.00 C ATOM 182 O PRO A 26 4.471 -2.044 5.188 1.00 10.00 O ATOM 183 CB PRO A 26 5.801 -4.610 3.824 1.00 10.00 C ATOM 184 CG PRO A 26 7.266 -4.879 3.786 1.00 10.00 C ATOM 185 CD PRO A 26 7.822 -4.018 2.657 1.00 10.00 C ATOM 0 HA PRO A 26 4.741 -2.959 2.858 1.00 10.00 H new ATOM 0 HB2 PRO A 26 5.393 -4.785 4.820 1.00 10.00 H new ATOM 0 HB3 PRO A 26 5.262 -5.265 3.139 1.00 10.00 H new ATOM 0 HG2 PRO A 26 7.734 -4.625 4.737 1.00 10.00 H new ATOM 0 HG3 PRO A 26 7.464 -5.935 3.605 1.00 10.00 H new ATOM 0 HD2 PRO A 26 8.841 -3.691 2.866 1.00 10.00 H new ATOM 0 HD3 PRO A 26 7.849 -4.562 1.713 1.00 10.00 H new ATOM 193 N ARG A 27 6.685 -1.622 5.041 1.00 10.00 N ATOM 194 CA ARG A 27 6.689 -0.687 6.170 1.00 10.00 C ATOM 195 C ARG A 27 5.947 0.599 5.780 1.00 10.00 C ATOM 196 O ARG A 27 5.198 1.161 6.580 1.00 10.00 O ATOM 197 CB ARG A 27 8.126 -0.334 6.562 1.00 10.00 C ATOM 198 CG ARG A 27 8.892 -1.609 6.924 1.00 10.00 C ATOM 199 CD ARG A 27 10.282 -1.240 7.458 1.00 10.00 C ATOM 200 NE ARG A 27 10.173 -0.600 8.777 1.00 10.00 N ATOM 201 CZ ARG A 27 11.244 -0.328 9.548 1.00 10.00 C ATOM 202 NH1 ARG A 27 12.466 -0.654 9.184 1.00 10.00 N ATOM 203 NH2 ARG A 27 11.067 0.272 10.694 1.00 10.00 N ATOM 0 H ARG A 27 7.596 -1.761 4.603 1.00 10.00 H new ATOM 0 HA ARG A 27 6.191 -1.161 7.016 1.00 10.00 H new ATOM 0 HB2 ARG A 27 8.622 0.178 5.738 1.00 10.00 H new ATOM 0 HB3 ARG A 27 8.124 0.353 7.408 1.00 10.00 H new ATOM 0 HG2 ARG A 27 8.341 -2.175 7.675 1.00 10.00 H new ATOM 0 HG3 ARG A 27 8.986 -2.250 6.047 1.00 10.00 H new ATOM 0 HD2 ARG A 27 10.899 -2.135 7.531 1.00 10.00 H new ATOM 0 HD3 ARG A 27 10.779 -0.566 6.760 1.00 10.00 H new ATOM 0 HE ARG A 27 9.247 -0.351 9.123 1.00 10.00 H new ATOM 0 HH11 ARG A 27 12.624 -1.127 8.294 1.00 10.00 H new ATOM 0 HH12 ARG A 27 13.255 -0.433 9.792 1.00 10.00 H new ATOM 0 HH21 ARG A 27 10.127 0.529 10.995 1.00 10.00 H new ATOM 0 HH22 ARG A 27 11.869 0.484 11.288 1.00 10.00 H new ATOM 217 N THR A 28 6.147 1.033 4.526 1.00 10.00 N ATOM 218 CA THR A 28 5.479 2.222 4.012 1.00 10.00 C ATOM 219 C THR A 28 4.034 1.837 3.631 1.00 10.00 C ATOM 220 O THR A 28 3.486 0.893 4.203 1.00 10.00 O ATOM 221 CB THR A 28 6.264 2.787 2.807 1.00 10.00 C ATOM 222 OG1 THR A 28 6.249 1.837 1.750 1.00 10.00 O ATOM 223 CG2 THR A 28 7.716 3.085 3.206 1.00 10.00 C ATOM 0 H THR A 28 6.765 0.575 3.857 1.00 10.00 H new ATOM 0 HA THR A 28 5.445 3.007 4.768 1.00 10.00 H new ATOM 0 HB THR A 28 5.792 3.714 2.480 1.00 10.00 H new ATOM 0 HG1 THR A 28 6.060 0.947 2.113 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.255 3.482 2.346 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.729 3.818 4.013 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.197 2.167 3.543 1.00 10.00 H new ATOM 231 N ASN A 29 3.418 2.553 2.681 1.00 10.00 N ATOM 232 CA ASN A 29 2.046 2.255 2.263 1.00 10.00 C ATOM 233 C ASN A 29 2.003 1.245 1.103 1.00 10.00 C ATOM 234 O ASN A 29 1.058 1.253 0.311 1.00 10.00 O ATOM 235 CB ASN A 29 1.361 3.560 1.841 1.00 10.00 C ATOM 236 CG ASN A 29 0.864 4.304 3.074 1.00 10.00 C ATOM 237 OD1 ASN A 29 1.623 4.511 4.020 1.00 10.00 O ATOM 238 ND2 ASN A 29 -0.368 4.719 3.125 1.00 10.00 N ATOM 0 H ASN A 29 3.847 3.338 2.191 1.00 10.00 H new ATOM 0 HA ASN A 29 1.523 1.804 3.106 1.00 10.00 H new ATOM 0 HB2 ASN A 29 2.060 4.185 1.285 1.00 10.00 H new ATOM 0 HB3 ASN A 29 0.526 3.344 1.174 1.00 10.00 H new ATOM 0 HD21 ASN A 29 -0.705 5.216 3.949 1.00 10.00 H new ATOM 0 HD22 ASN A 29 -0.997 4.547 2.341 1.00 10.00 H new ATOM 245 N GLY A 30 3.030 0.389 0.990 1.00 10.00 N ATOM 246 CA GLY A 30 3.087 -0.591 -0.095 1.00 10.00 C ATOM 247 C GLY A 30 3.697 0.020 -1.366 1.00 10.00 C ATOM 248 O GLY A 30 3.626 -0.586 -2.437 1.00 10.00 O ATOM 0 H GLY A 30 3.823 0.358 1.631 1.00 10.00 H new ATOM 0 HA2 GLY A 30 3.680 -1.450 0.219 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.083 -0.957 -0.310 1.00 10.00 H new ATOM 252 N MET A 31 4.275 1.231 -1.250 1.00 10.00 N ATOM 253 CA MET A 31 4.862 1.913 -2.398 1.00 10.00 C ATOM 254 C MET A 31 6.342 2.217 -2.163 1.00 10.00 C ATOM 255 O MET A 31 6.819 2.207 -1.026 1.00 10.00 O ATOM 256 CB MET A 31 4.113 3.226 -2.637 1.00 10.00 C ATOM 257 CG MET A 31 2.876 2.978 -3.500 1.00 10.00 C ATOM 258 SD MET A 31 1.578 2.193 -2.514 1.00 10.00 S ATOM 259 CE MET A 31 0.196 3.216 -3.088 1.00 10.00 C ATOM 0 H MET A 31 4.343 1.748 -0.373 1.00 10.00 H new ATOM 0 HA MET A 31 4.778 1.260 -3.267 1.00 10.00 H new ATOM 0 HB2 MET A 31 3.818 3.664 -1.683 1.00 10.00 H new ATOM 0 HB3 MET A 31 4.770 3.944 -3.128 1.00 10.00 H new ATOM 0 HG2 MET A 31 2.513 3.921 -3.909 1.00 10.00 H new ATOM 0 HG3 MET A 31 3.135 2.342 -4.347 1.00 10.00 H new ATOM 0 HE1 MET A 31 -0.730 2.645 -3.025 1.00 10.00 H new ATOM 0 HE2 MET A 31 0.117 4.105 -2.463 1.00 10.00 H new ATOM 0 HE3 MET A 31 0.369 3.514 -4.122 1.00 10.00 H new ATOM 269 N CYS A 32 7.056 2.482 -3.253 1.00 10.00 N ATOM 270 CA CYS A 32 8.477 2.797 -3.187 1.00 10.00 C ATOM 271 C CYS A 32 8.679 4.165 -2.517 1.00 10.00 C ATOM 272 O CYS A 32 7.730 4.743 -1.998 1.00 10.00 O ATOM 273 CB CYS A 32 9.076 2.750 -4.604 1.00 10.00 C ATOM 274 SG CYS A 32 8.324 3.933 -5.735 1.00 10.00 S ATOM 0 H CYS A 32 6.670 2.484 -4.197 1.00 10.00 H new ATOM 0 HA CYS A 32 8.999 2.058 -2.579 1.00 10.00 H new ATOM 0 HB2 CYS A 32 10.147 2.945 -4.545 1.00 10.00 H new ATOM 0 HB3 CYS A 32 8.957 1.745 -5.008 1.00 10.00 H new ATOM 0 HG CYS A 32 7.894 3.310 -6.792 1.00 10.00 H new ATOM 279 N SER A 33 9.902 4.684 -2.518 1.00 10.00 N ATOM 280 CA SER A 33 10.190 5.976 -1.872 1.00 10.00 C ATOM 281 C SER A 33 9.739 7.178 -2.707 1.00 10.00 C ATOM 282 O SER A 33 9.529 8.267 -2.175 1.00 10.00 O ATOM 283 CB SER A 33 11.690 6.094 -1.590 1.00 10.00 C ATOM 284 OG SER A 33 12.421 5.983 -2.779 1.00 10.00 O ATOM 0 H SER A 33 10.710 4.240 -2.954 1.00 10.00 H new ATOM 0 HA SER A 33 9.621 5.994 -0.943 1.00 10.00 H new ATOM 0 HB2 SER A 33 11.903 7.051 -1.113 1.00 10.00 H new ATOM 0 HB3 SER A 33 11.998 5.315 -0.893 1.00 10.00 H new ATOM 0 HG SER A 33 13.320 5.646 -2.580 1.00 10.00 H new ATOM 290 N VAL A 34 9.583 6.969 -4.011 1.00 10.00 N ATOM 291 CA VAL A 34 9.191 8.040 -4.927 1.00 10.00 C ATOM 292 C VAL A 34 7.678 8.302 -4.919 1.00 10.00 C ATOM 293 O VAL A 34 7.244 9.453 -4.864 1.00 10.00 O ATOM 294 CB VAL A 34 9.649 7.723 -6.367 1.00 10.00 C ATOM 295 CG1 VAL A 34 9.498 8.956 -7.253 1.00 10.00 C ATOM 296 CG2 VAL A 34 11.100 7.240 -6.378 1.00 10.00 C ATOM 0 H VAL A 34 9.722 6.064 -4.460 1.00 10.00 H new ATOM 0 HA VAL A 34 9.687 8.944 -4.572 1.00 10.00 H new ATOM 0 HB VAL A 34 9.017 6.927 -6.761 1.00 10.00 H new ATOM 0 HG11 VAL A 34 9.824 8.719 -8.266 1.00 10.00 H new ATOM 0 HG12 VAL A 34 8.453 9.265 -7.272 1.00 10.00 H new ATOM 0 HG13 VAL A 34 10.109 9.767 -6.856 1.00 10.00 H new ATOM 0 HG21 VAL A 34 11.403 7.022 -7.402 1.00 10.00 H new ATOM 0 HG22 VAL A 34 11.745 8.016 -5.966 1.00 10.00 H new ATOM 0 HG23 VAL A 34 11.187 6.337 -5.774 1.00 10.00 H new ATOM 306 N CYS A 35 6.890 7.236 -4.962 1.00 10.00 N ATOM 307 CA CYS A 35 5.429 7.344 -4.976 1.00 10.00 C ATOM 308 C CYS A 35 4.844 7.576 -3.583 1.00 10.00 C ATOM 309 O CYS A 35 3.730 8.085 -3.457 1.00 10.00 O ATOM 310 CB CYS A 35 4.840 6.078 -5.587 1.00 10.00 C ATOM 311 SG CYS A 35 5.378 5.830 -7.288 1.00 10.00 S ATOM 0 H CYS A 35 7.237 6.277 -4.988 1.00 10.00 H new ATOM 0 HA CYS A 35 5.165 8.214 -5.577 1.00 10.00 H new ATOM 0 HB2 CYS A 35 5.132 5.217 -4.986 1.00 10.00 H new ATOM 0 HB3 CYS A 35 3.752 6.134 -5.556 1.00 10.00 H new ATOM 0 HG CYS A 35 6.485 5.149 -7.298 1.00 10.00 H new ATOM 316 N TYR A 36 5.609 7.225 -2.550 1.00 10.00 N ATOM 317 CA TYR A 36 5.158 7.386 -1.161 1.00 10.00 C ATOM 318 C TYR A 36 4.839 8.850 -0.818 1.00 10.00 C ATOM 319 O TYR A 36 3.781 9.133 -0.253 1.00 10.00 O ATOM 320 CB TYR A 36 6.228 6.818 -0.199 1.00 10.00 C ATOM 321 CG TYR A 36 5.827 6.956 1.268 1.00 10.00 C ATOM 322 CD1 TYR A 36 4.514 6.685 1.690 1.00 10.00 C ATOM 323 CD2 TYR A 36 6.789 7.347 2.206 1.00 10.00 C ATOM 324 CE1 TYR A 36 4.171 6.805 3.042 1.00 10.00 C ATOM 325 CE2 TYR A 36 6.445 7.469 3.558 1.00 10.00 C ATOM 326 CZ TYR A 36 5.138 7.199 3.977 1.00 10.00 C ATOM 327 OH TYR A 36 4.802 7.314 5.309 1.00 10.00 O ATOM 0 H TYR A 36 6.544 6.827 -2.645 1.00 10.00 H new ATOM 0 HA TYR A 36 4.229 6.828 -1.043 1.00 10.00 H new ATOM 0 HB2 TYR A 36 6.397 5.766 -0.429 1.00 10.00 H new ATOM 0 HB3 TYR A 36 7.173 7.336 -0.365 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.768 6.383 0.970 1.00 10.00 H new ATOM 0 HD2 TYR A 36 7.799 7.555 1.886 1.00 10.00 H new ATOM 0 HE1 TYR A 36 3.162 6.594 3.364 1.00 10.00 H new ATOM 0 HE2 TYR A 36 7.190 7.772 4.279 1.00 10.00 H new ATOM 0 HH TYR A 36 5.588 7.595 5.822 1.00 10.00 H new ATOM 337 N LYS A 37 5.748 9.764 -1.157 1.00 10.00 N ATOM 338 CA LYS A 37 5.532 11.181 -0.860 1.00 10.00 C ATOM 339 C LYS A 37 4.460 11.752 -1.782 1.00 10.00 C ATOM 340 O LYS A 37 3.585 12.500 -1.344 1.00 10.00 O ATOM 341 CB LYS A 37 6.843 11.983 -0.980 1.00 10.00 C ATOM 342 CG LYS A 37 7.421 11.896 -2.397 1.00 10.00 C ATOM 343 CD LYS A 37 8.732 12.676 -2.464 1.00 10.00 C ATOM 344 CE LYS A 37 9.151 12.840 -3.925 1.00 10.00 C ATOM 345 NZ LYS A 37 10.564 13.311 -3.985 1.00 10.00 N ATOM 0 H LYS A 37 6.627 9.555 -1.630 1.00 10.00 H new ATOM 0 HA LYS A 37 5.188 11.266 0.171 1.00 10.00 H new ATOM 0 HB2 LYS A 37 6.658 13.026 -0.724 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.571 11.603 -0.264 1.00 10.00 H new ATOM 0 HG2 LYS A 37 7.592 10.854 -2.668 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.709 12.300 -3.117 1.00 10.00 H new ATOM 0 HD2 LYS A 37 8.611 13.653 -1.997 1.00 10.00 H new ATOM 0 HD3 LYS A 37 9.509 12.151 -1.908 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.050 11.892 -4.453 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.496 13.554 -4.425 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.851 13.423 -4.978 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 10.646 14.225 -3.496 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 11.182 12.614 -3.523 1.00 10.00 H new ATOM 359 N GLU A 38 4.552 11.405 -3.069 1.00 10.00 N ATOM 360 CA GLU A 38 3.604 11.891 -4.075 1.00 10.00 C ATOM 361 C GLU A 38 2.153 11.591 -3.693 1.00 10.00 C ATOM 362 O GLU A 38 1.270 12.424 -3.918 1.00 10.00 O ATOM 363 CB GLU A 38 3.914 11.250 -5.432 1.00 10.00 C ATOM 364 CG GLU A 38 5.084 11.983 -6.091 1.00 10.00 C ATOM 365 CD GLU A 38 4.598 13.292 -6.701 1.00 10.00 C ATOM 366 OE1 GLU A 38 3.590 13.266 -7.384 1.00 10.00 O ATOM 367 OE2 GLU A 38 5.244 14.301 -6.473 1.00 10.00 O ATOM 0 H GLU A 38 5.275 10.788 -3.439 1.00 10.00 H new ATOM 0 HA GLU A 38 3.717 12.974 -4.133 1.00 10.00 H new ATOM 0 HB2 GLU A 38 4.160 10.196 -5.300 1.00 10.00 H new ATOM 0 HB3 GLU A 38 3.035 11.294 -6.076 1.00 10.00 H new ATOM 0 HG2 GLU A 38 5.862 12.182 -5.354 1.00 10.00 H new ATOM 0 HG3 GLU A 38 5.530 11.355 -6.863 1.00 10.00 H new ATOM 374 N HIS A 39 1.904 10.399 -3.129 1.00 10.00 N ATOM 375 CA HIS A 39 0.536 10.030 -2.746 1.00 10.00 C ATOM 376 C HIS A 39 0.174 10.555 -1.348 1.00 10.00 C ATOM 377 O HIS A 39 -0.980 10.899 -1.088 1.00 10.00 O ATOM 378 CB HIS A 39 0.312 8.498 -2.888 1.00 10.00 C ATOM 379 CG HIS A 39 0.859 7.682 -1.730 1.00 10.00 C ATOM 380 ND1 HIS A 39 0.655 7.737 -0.369 1.00 10.00 N flip ATOM 381 CD2 HIS A 39 1.674 6.580 -1.937 1.00 10.00 C flip ATOM 382 CE1 HIS A 39 1.323 6.689 0.250 1.00 10.00 C flip ATOM 383 NE2 HIS A 39 1.917 6.020 -0.739 1.00 10.00 N flip ATOM 0 H HIS A 39 2.612 9.692 -2.933 1.00 10.00 H new ATOM 0 HA HIS A 39 -0.150 10.517 -3.439 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -0.757 8.305 -2.982 1.00 10.00 H new ATOM 0 HB3 HIS A 39 0.780 8.157 -3.812 1.00 10.00 H new ATOM 0 HD2 HIS A 39 2.047 6.233 -2.890 1.00 10.00 H new ATOM 0 HE1 HIS A 39 1.355 6.464 1.306 1.00 10.00 H new ATOM 0 HE2 HIS A 39 2.487 5.185 -0.603 1.00 10.00 H new ATOM 392 N LEU A 40 1.169 10.609 -0.458 1.00 10.00 N ATOM 393 CA LEU A 40 0.957 11.089 0.916 1.00 10.00 C ATOM 394 C LEU A 40 0.505 12.555 0.935 1.00 10.00 C ATOM 395 O LEU A 40 -0.228 12.970 1.837 1.00 10.00 O ATOM 396 CB LEU A 40 2.255 10.945 1.721 1.00 10.00 C ATOM 397 CG LEU A 40 1.965 11.109 3.214 1.00 10.00 C ATOM 398 CD1 LEU A 40 1.286 9.841 3.744 1.00 10.00 C ATOM 399 CD2 LEU A 40 3.282 11.339 3.968 1.00 10.00 C ATOM 0 H LEU A 40 2.128 10.328 -0.661 1.00 10.00 H new ATOM 0 HA LEU A 40 0.170 10.483 1.365 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.702 9.969 1.534 1.00 10.00 H new ATOM 0 HB3 LEU A 40 2.978 11.694 1.398 1.00 10.00 H new ATOM 0 HG LEU A 40 1.306 11.964 3.365 1.00 10.00 H new ATOM 0 HD11 LEU A 40 1.079 9.957 4.808 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.351 9.678 3.208 1.00 10.00 H new ATOM 0 HD13 LEU A 40 1.945 8.986 3.594 1.00 10.00 H new ATOM 0 HD21 LEU A 40 3.076 11.456 5.032 1.00 10.00 H new ATOM 0 HD22 LEU A 40 3.941 10.484 3.818 1.00 10.00 H new ATOM 0 HD23 LEU A 40 3.765 12.240 3.590 1.00 10.00 H new ATOM 411 N GLN A 41 0.950 13.325 -0.055 1.00 10.00 N ATOM 412 CA GLN A 41 0.598 14.746 -0.143 1.00 10.00 C ATOM 413 C GLN A 41 -0.902 14.934 -0.400 1.00 10.00 C ATOM 414 O GLN A 41 -1.522 15.840 0.162 1.00 10.00 O ATOM 415 CB GLN A 41 1.410 15.401 -1.271 1.00 10.00 C ATOM 416 CG GLN A 41 2.739 15.925 -0.715 1.00 10.00 C ATOM 417 CD GLN A 41 3.592 16.485 -1.845 1.00 10.00 C ATOM 418 OE1 GLN A 41 4.336 15.743 -2.489 1.00 10.00 O ATOM 419 NE2 GLN A 41 3.533 17.758 -2.124 1.00 10.00 N ATOM 0 H GLN A 41 1.554 12.993 -0.807 1.00 10.00 H new ATOM 0 HA GLN A 41 0.835 15.221 0.809 1.00 10.00 H new ATOM 0 HB2 GLN A 41 1.597 14.678 -2.065 1.00 10.00 H new ATOM 0 HB3 GLN A 41 0.842 16.219 -1.713 1.00 10.00 H new ATOM 0 HG2 GLN A 41 2.551 16.700 0.028 1.00 10.00 H new ATOM 0 HG3 GLN A 41 3.273 15.121 -0.209 1.00 10.00 H new ATOM 0 HE21 GLN A 41 2.916 18.369 -1.589 1.00 10.00 H new ATOM 0 HE22 GLN A 41 4.104 18.142 -2.877 1.00 10.00 H new ATOM 428 N ARG A 42 -1.475 14.077 -1.247 1.00 10.00 N ATOM 429 CA ARG A 42 -2.904 14.158 -1.569 1.00 10.00 C ATOM 430 C ARG A 42 -3.758 13.541 -0.462 1.00 10.00 C ATOM 431 O ARG A 42 -4.889 13.973 -0.231 1.00 10.00 O ATOM 432 CB ARG A 42 -3.183 13.435 -2.885 1.00 10.00 C ATOM 433 CG ARG A 42 -2.607 14.253 -4.040 1.00 10.00 C ATOM 434 CD ARG A 42 -2.563 13.390 -5.302 1.00 10.00 C ATOM 435 NE ARG A 42 -1.796 14.069 -6.352 1.00 10.00 N ATOM 436 CZ ARG A 42 -2.254 15.157 -7.002 1.00 10.00 C ATOM 437 NH1 ARG A 42 -3.440 15.666 -6.758 1.00 10.00 N ATOM 438 NH2 ARG A 42 -1.502 15.714 -7.911 1.00 10.00 N ATOM 0 H ARG A 42 -0.977 13.323 -1.720 1.00 10.00 H new ATOM 0 HA ARG A 42 -3.167 15.212 -1.662 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -2.736 12.441 -2.869 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -4.256 13.300 -3.019 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -3.218 15.139 -4.213 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -1.605 14.601 -3.789 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -2.109 12.425 -5.076 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -3.576 13.192 -5.652 1.00 10.00 H new ATOM 0 HE ARG A 42 -0.877 13.702 -6.601 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -4.045 15.237 -6.058 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -3.756 16.491 -7.268 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -0.582 15.325 -8.120 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -1.834 16.538 -8.412 1.00 10.00 H new ATOM 452 N GLN A 43 -3.207 12.535 0.220 1.00 10.00 N ATOM 453 CA GLN A 43 -3.917 11.869 1.305 1.00 10.00 C ATOM 454 C GLN A 43 -3.916 12.753 2.554 1.00 10.00 C ATOM 455 O GLN A 43 -4.904 12.808 3.287 1.00 10.00 O ATOM 456 CB GLN A 43 -3.244 10.529 1.613 1.00 10.00 C ATOM 457 CG GLN A 43 -4.245 9.577 2.273 1.00 10.00 C ATOM 458 CD GLN A 43 -5.037 8.813 1.213 1.00 10.00 C ATOM 459 OE1 GLN A 43 -4.535 8.555 0.118 1.00 10.00 O ATOM 460 NE2 GLN A 43 -6.257 8.433 1.478 1.00 10.00 N ATOM 0 H GLN A 43 -2.273 12.167 0.038 1.00 10.00 H new ATOM 0 HA GLN A 43 -4.949 11.692 1.001 1.00 10.00 H new ATOM 0 HB2 GLN A 43 -2.861 10.086 0.694 1.00 10.00 H new ATOM 0 HB3 GLN A 43 -2.390 10.685 2.272 1.00 10.00 H new ATOM 0 HG2 GLN A 43 -3.717 8.874 2.917 1.00 10.00 H new ATOM 0 HG3 GLN A 43 -4.927 10.141 2.909 1.00 10.00 H new ATOM 0 HE21 GLN A 43 -6.672 8.647 2.385 1.00 10.00 H new ATOM 0 HE22 GLN A 43 -6.795 7.922 0.778 1.00 10.00 H new ATOM 469 N GLN A 44 -2.795 13.442 2.783 1.00 10.00 N ATOM 470 CA GLN A 44 -2.657 14.323 3.942 1.00 10.00 C ATOM 471 C GLN A 44 -3.471 15.605 3.756 1.00 10.00 C ATOM 472 O GLN A 44 -4.099 16.090 4.699 1.00 10.00 O ATOM 473 CB GLN A 44 -1.187 14.685 4.155 1.00 10.00 C ATOM 474 CG GLN A 44 -0.985 15.158 5.595 1.00 10.00 C ATOM 475 CD GLN A 44 0.501 15.254 5.910 1.00 10.00 C ATOM 476 OE1 GLN A 44 0.996 14.559 6.798 1.00 10.00 O ATOM 477 NE2 GLN A 44 1.248 16.082 5.233 1.00 10.00 N ATOM 0 H GLN A 44 -1.972 13.406 2.181 1.00 10.00 H new ATOM 0 HA GLN A 44 -3.035 13.791 4.815 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -0.555 13.820 3.952 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -0.889 15.468 3.458 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -1.458 16.130 5.737 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -1.467 14.465 6.285 1.00 10.00 H new ATOM 0 HE21 GLN A 44 0.836 16.657 4.498 1.00 10.00 H new ATOM 0 HE22 GLN A 44 2.244 16.155 5.439 1.00 10.00 H new ATOM 486 N ASN A 45 -3.447 16.148 2.535 1.00 10.00 N ATOM 487 CA ASN A 45 -4.182 17.381 2.234 1.00 10.00 C ATOM 488 C ASN A 45 -5.691 17.150 2.325 1.00 10.00 C ATOM 489 O ASN A 45 -6.422 17.986 2.858 1.00 10.00 O ATOM 490 CB ASN A 45 -3.822 17.875 0.826 1.00 10.00 C ATOM 491 CG ASN A 45 -2.516 18.668 0.864 1.00 10.00 C ATOM 492 OD1 ASN A 45 -2.242 19.368 1.838 1.00 10.00 O ATOM 493 ND2 ASN A 45 -1.691 18.597 -0.147 1.00 10.00 N ATOM 0 H ASN A 45 -2.932 15.758 1.746 1.00 10.00 H new ATOM 0 HA ASN A 45 -3.899 18.135 2.969 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -3.721 17.026 0.149 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -4.625 18.500 0.436 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -0.817 19.123 -0.130 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -1.921 18.016 -0.953 1.00 10.00 H new ATOM 500 N SER A 46 -6.146 16.011 1.795 1.00 10.00 N ATOM 501 CA SER A 46 -7.570 15.676 1.814 1.00 10.00 C ATOM 502 C SER A 46 -8.008 15.250 3.213 1.00 10.00 C ATOM 503 O SER A 46 -8.841 15.914 3.837 1.00 10.00 O ATOM 504 CB SER A 46 -7.854 14.548 0.823 1.00 10.00 C ATOM 505 OG SER A 46 -9.226 14.588 0.448 1.00 10.00 O ATOM 0 H SER A 46 -5.552 15.311 1.351 1.00 10.00 H new ATOM 0 HA SER A 46 -8.134 16.564 1.527 1.00 10.00 H new ATOM 0 HB2 SER A 46 -7.221 14.654 -0.058 1.00 10.00 H new ATOM 0 HB3 SER A 46 -7.616 13.584 1.273 1.00 10.00 H new ATOM 0 HG SER A 46 -9.412 13.867 -0.189 1.00 10.00 H new ATOM 512 N MET B 1 22.776 0.798 9.117 1.00 10.00 N ATOM 513 CA MET B 1 23.050 -0.602 8.746 1.00 10.00 C ATOM 514 C MET B 1 24.340 -0.685 7.907 1.00 10.00 C ATOM 515 O MET B 1 24.671 0.217 7.146 1.00 10.00 O ATOM 516 CB MET B 1 21.861 -1.171 7.953 1.00 10.00 C ATOM 517 CG MET B 1 21.673 -0.531 6.570 1.00 10.00 C ATOM 518 SD MET B 1 20.267 -1.199 5.614 1.00 10.00 S ATOM 519 CE MET B 1 20.662 -0.532 4.011 1.00 10.00 C ATOM 0 H1 MET B 1 21.895 0.845 9.668 1.00 10.00 H new ATOM 0 H2 MET B 1 23.563 1.166 9.689 1.00 10.00 H new ATOM 0 H3 MET B 1 22.677 1.372 8.256 1.00 10.00 H new ATOM 0 HA MET B 1 23.187 -1.192 9.652 1.00 10.00 H new ATOM 0 HB2 MET B 1 22.000 -2.245 7.830 1.00 10.00 H new ATOM 0 HB3 MET B 1 20.949 -1.032 8.534 1.00 10.00 H new ATOM 0 HG2 MET B 1 21.534 0.543 6.696 1.00 10.00 H new ATOM 0 HG3 MET B 1 22.587 -0.668 5.992 1.00 10.00 H new ATOM 0 HE1 MET B 1 19.828 -0.703 3.330 1.00 10.00 H new ATOM 0 HE2 MET B 1 20.846 0.539 4.098 1.00 10.00 H new ATOM 0 HE3 MET B 1 21.554 -1.023 3.622 1.00 10.00 H new ATOM 531 N GLN B 2 25.059 -1.798 8.075 1.00 10.00 N ATOM 532 CA GLN B 2 26.245 -2.015 7.251 1.00 10.00 C ATOM 533 C GLN B 2 25.888 -2.900 6.054 1.00 10.00 C ATOM 534 O GLN B 2 25.023 -3.764 6.123 1.00 10.00 O ATOM 535 CB GLN B 2 27.370 -2.635 8.077 1.00 10.00 C ATOM 536 CG GLN B 2 27.221 -4.146 8.307 1.00 10.00 C ATOM 537 CD GLN B 2 28.392 -4.759 9.077 1.00 10.00 C ATOM 538 OE1 GLN B 2 29.529 -4.102 9.062 1.00 10.00 O flip ATOM 539 NE2 GLN B 2 28.291 -5.830 9.648 1.00 10.00 N flip ATOM 0 H GLN B 2 24.850 -2.536 8.748 1.00 10.00 H new ATOM 0 HA GLN B 2 26.600 -1.054 6.879 1.00 10.00 H new ATOM 0 HB2 GLN B 2 28.320 -2.447 7.576 1.00 10.00 H new ATOM 0 HB3 GLN B 2 27.415 -2.134 9.044 1.00 10.00 H new ATOM 0 HG2 GLN B 2 26.297 -4.334 8.854 1.00 10.00 H new ATOM 0 HG3 GLN B 2 27.128 -4.646 7.343 1.00 10.00 H new ATOM 0 HE21 GLN B 2 27.399 -6.325 9.649 1.00 10.00 H new ATOM 0 HE22 GLN B 2 29.098 -6.231 10.126 1.00 10.00 H new ATOM 548 N ILE B 3 26.572 -2.595 4.953 1.00 10.00 N ATOM 549 CA ILE B 3 26.504 -3.436 3.752 1.00 10.00 C ATOM 550 C ILE B 3 27.947 -3.583 3.234 1.00 10.00 C ATOM 551 O ILE B 3 28.806 -2.753 3.516 1.00 10.00 O ATOM 552 CB ILE B 3 25.518 -2.918 2.672 1.00 10.00 C ATOM 553 CG1 ILE B 3 26.065 -1.825 1.738 1.00 10.00 C ATOM 554 CG2 ILE B 3 24.139 -2.554 3.253 1.00 10.00 C ATOM 555 CD1 ILE B 3 26.424 -0.494 2.392 1.00 10.00 C ATOM 0 H ILE B 3 27.177 -1.778 4.864 1.00 10.00 H new ATOM 0 HA ILE B 3 26.087 -4.410 4.009 1.00 10.00 H new ATOM 0 HB ILE B 3 25.384 -3.779 2.017 1.00 10.00 H new ATOM 0 HG12 ILE B 3 26.954 -2.213 1.241 1.00 10.00 H new ATOM 0 HG13 ILE B 3 25.324 -1.636 0.962 1.00 10.00 H new ATOM 0 HG21 ILE B 3 23.490 -2.198 2.453 1.00 10.00 H new ATOM 0 HG22 ILE B 3 23.695 -3.435 3.715 1.00 10.00 H new ATOM 0 HG23 ILE B 3 24.255 -1.771 4.002 1.00 10.00 H new ATOM 0 HD11 ILE B 3 26.798 0.195 1.634 1.00 10.00 H new ATOM 0 HD12 ILE B 3 25.538 -0.069 2.863 1.00 10.00 H new ATOM 0 HD13 ILE B 3 27.194 -0.655 3.147 1.00 10.00 H new ATOM 567 N PHE B 4 28.141 -4.621 2.431 1.00 10.00 N ATOM 568 CA PHE B 4 29.481 -4.936 1.912 1.00 10.00 C ATOM 569 C PHE B 4 29.524 -4.704 0.401 1.00 10.00 C ATOM 570 O PHE B 4 28.540 -4.904 -0.298 1.00 10.00 O ATOM 571 CB PHE B 4 29.817 -6.392 2.242 1.00 10.00 C ATOM 572 CG PHE B 4 29.563 -6.702 3.720 1.00 10.00 C ATOM 573 CD1 PHE B 4 30.449 -6.256 4.694 1.00 10.00 C ATOM 574 CD2 PHE B 4 28.405 -7.377 4.084 1.00 10.00 C ATOM 575 CE1 PHE B 4 30.175 -6.497 6.033 1.00 10.00 C ATOM 576 CE2 PHE B 4 28.137 -7.622 5.423 1.00 10.00 C ATOM 577 CZ PHE B 4 29.022 -7.184 6.398 1.00 10.00 C ATOM 0 H PHE B 4 27.404 -5.256 2.124 1.00 10.00 H new ATOM 0 HA PHE B 4 30.219 -4.284 2.379 1.00 10.00 H new ATOM 0 HB2 PHE B 4 29.216 -7.056 1.621 1.00 10.00 H new ATOM 0 HB3 PHE B 4 30.862 -6.590 2.001 1.00 10.00 H new ATOM 0 HD1 PHE B 4 31.346 -5.725 4.410 1.00 10.00 H new ATOM 0 HD2 PHE B 4 27.713 -7.711 3.325 1.00 10.00 H new ATOM 0 HE1 PHE B 4 30.859 -6.150 6.794 1.00 10.00 H new ATOM 0 HE2 PHE B 4 27.240 -8.153 5.706 1.00 10.00 H new ATOM 0 HZ PHE B 4 28.815 -7.377 7.440 1.00 10.00 H new ATOM 587 N VAL B 5 30.637 -4.133 -0.041 1.00 10.00 N ATOM 588 CA VAL B 5 30.892 -3.873 -1.468 1.00 10.00 C ATOM 589 C VAL B 5 32.183 -4.605 -1.845 1.00 10.00 C ATOM 590 O VAL B 5 33.275 -4.217 -1.463 1.00 10.00 O ATOM 591 CB VAL B 5 30.998 -2.362 -1.766 1.00 10.00 C ATOM 592 CG1 VAL B 5 31.287 -2.096 -3.247 1.00 10.00 C ATOM 593 CG2 VAL B 5 29.712 -1.624 -1.386 1.00 10.00 C ATOM 0 H VAL B 5 31.394 -3.834 0.573 1.00 10.00 H new ATOM 0 HA VAL B 5 30.058 -4.239 -2.066 1.00 10.00 H new ATOM 0 HB VAL B 5 31.826 -1.991 -1.162 1.00 10.00 H new ATOM 0 HG11 VAL B 5 31.354 -1.021 -3.417 1.00 10.00 H new ATOM 0 HG12 VAL B 5 32.230 -2.567 -3.524 1.00 10.00 H new ATOM 0 HG13 VAL B 5 30.482 -2.510 -3.855 1.00 10.00 H new ATOM 0 HG21 VAL B 5 29.822 -0.563 -1.609 1.00 10.00 H new ATOM 0 HG22 VAL B 5 28.877 -2.030 -1.957 1.00 10.00 H new ATOM 0 HG23 VAL B 5 29.520 -1.753 -0.321 1.00 10.00 H new ATOM 603 N LYS B 6 31.979 -5.753 -2.489 1.00 10.00 N ATOM 604 CA LYS B 6 33.095 -6.566 -2.977 1.00 10.00 C ATOM 605 C LYS B 6 33.664 -5.967 -4.263 1.00 10.00 C ATOM 606 O LYS B 6 32.953 -5.620 -5.198 1.00 10.00 O ATOM 607 CB LYS B 6 32.580 -7.961 -3.300 1.00 10.00 C ATOM 608 CG LYS B 6 32.130 -8.750 -2.068 1.00 10.00 C ATOM 609 CD LYS B 6 31.537 -10.094 -2.501 1.00 10.00 C ATOM 610 CE LYS B 6 32.556 -10.935 -3.282 1.00 10.00 C ATOM 611 NZ LYS B 6 31.911 -12.074 -3.945 1.00 10.00 N ATOM 0 H LYS B 6 31.056 -6.141 -2.685 1.00 10.00 H new ATOM 0 HA LYS B 6 33.870 -6.598 -2.211 1.00 10.00 H new ATOM 0 HB2 LYS B 6 31.743 -7.878 -3.994 1.00 10.00 H new ATOM 0 HB3 LYS B 6 33.364 -8.519 -3.812 1.00 10.00 H new ATOM 0 HG2 LYS B 6 32.976 -8.914 -1.401 1.00 10.00 H new ATOM 0 HG3 LYS B 6 31.389 -8.178 -1.509 1.00 10.00 H new ATOM 0 HD2 LYS B 6 31.206 -10.647 -1.622 1.00 10.00 H new ATOM 0 HD3 LYS B 6 30.656 -9.922 -3.120 1.00 10.00 H new ATOM 0 HE2 LYS B 6 33.051 -10.311 -4.026 1.00 10.00 H new ATOM 0 HE3 LYS B 6 33.329 -11.296 -2.603 1.00 10.00 H new ATOM 0 HZ1 LYS B 6 32.638 -12.732 -4.291 1.00 10.00 H new ATOM 0 HZ2 LYS B 6 31.294 -12.566 -3.268 1.00 10.00 H new ATOM 0 HZ3 LYS B 6 31.343 -11.733 -4.747 1.00 10.00 H new ATOM 625 N THR B 7 34.998 -5.896 -4.276 1.00 10.00 N ATOM 626 CA THR B 7 35.722 -5.494 -5.488 1.00 10.00 C ATOM 627 C THR B 7 36.313 -6.764 -6.109 1.00 10.00 C ATOM 628 O THR B 7 36.438 -7.808 -5.470 1.00 10.00 O ATOM 629 CB THR B 7 36.829 -4.469 -5.184 1.00 10.00 C ATOM 630 OG1 THR B 7 37.861 -5.119 -4.454 1.00 10.00 O ATOM 631 CG2 THR B 7 36.322 -3.262 -4.388 1.00 10.00 C ATOM 0 H THR B 7 35.592 -6.108 -3.475 1.00 10.00 H new ATOM 0 HA THR B 7 35.037 -5.005 -6.180 1.00 10.00 H new ATOM 0 HB THR B 7 37.198 -4.087 -6.136 1.00 10.00 H new ATOM 0 HG1 THR B 7 38.658 -5.203 -5.018 1.00 10.00 H new ATOM 0 HG21 THR B 7 37.148 -2.575 -4.204 1.00 10.00 H new ATOM 0 HG22 THR B 7 35.545 -2.752 -4.957 1.00 10.00 H new ATOM 0 HG23 THR B 7 35.913 -3.600 -3.436 1.00 10.00 H new ATOM 639 N LEU B 8 36.748 -6.633 -7.358 1.00 10.00 N ATOM 640 CA LEU B 8 37.224 -7.789 -8.141 1.00 10.00 C ATOM 641 C LEU B 8 38.644 -8.254 -7.786 1.00 10.00 C ATOM 642 O LEU B 8 39.055 -9.355 -8.143 1.00 10.00 O ATOM 643 CB LEU B 8 37.037 -7.507 -9.634 1.00 10.00 C ATOM 644 CG LEU B 8 35.583 -7.110 -9.949 1.00 10.00 C ATOM 645 CD1 LEU B 8 35.424 -6.859 -11.446 1.00 10.00 C ATOM 646 CD2 LEU B 8 34.550 -8.138 -9.462 1.00 10.00 C ATOM 0 H LEU B 8 36.784 -5.744 -7.857 1.00 10.00 H new ATOM 0 HA LEU B 8 36.607 -8.645 -7.867 1.00 10.00 H new ATOM 0 HB2 LEU B 8 37.710 -6.707 -9.943 1.00 10.00 H new ATOM 0 HB3 LEU B 8 37.308 -8.392 -10.210 1.00 10.00 H new ATOM 0 HG LEU B 8 35.381 -6.193 -9.396 1.00 10.00 H new ATOM 0 HD11 LEU B 8 34.393 -6.579 -11.660 1.00 10.00 H new ATOM 0 HD12 LEU B 8 36.090 -6.053 -11.753 1.00 10.00 H new ATOM 0 HD13 LEU B 8 35.675 -7.766 -11.996 1.00 10.00 H new ATOM 0 HD21 LEU B 8 33.547 -7.795 -9.717 1.00 10.00 H new ATOM 0 HD22 LEU B 8 34.738 -9.098 -9.942 1.00 10.00 H new ATOM 0 HD23 LEU B 8 34.631 -8.251 -8.381 1.00 10.00 H new ATOM 658 N THR B 9 39.366 -7.379 -7.093 1.00 10.00 N ATOM 659 CA THR B 9 40.640 -7.741 -6.434 1.00 10.00 C ATOM 660 C THR B 9 40.408 -8.822 -5.367 1.00 10.00 C ATOM 661 O THR B 9 41.255 -9.698 -5.181 1.00 10.00 O ATOM 662 CB THR B 9 41.310 -6.522 -5.787 1.00 10.00 C ATOM 663 OG1 THR B 9 40.383 -5.823 -4.950 1.00 10.00 O ATOM 664 CG2 THR B 9 41.900 -5.581 -6.839 1.00 10.00 C ATOM 0 H THR B 9 39.097 -6.403 -6.966 1.00 10.00 H new ATOM 0 HA THR B 9 41.303 -8.128 -7.207 1.00 10.00 H new ATOM 0 HB THR B 9 42.132 -6.885 -5.170 1.00 10.00 H new ATOM 0 HG1 THR B 9 40.827 -5.049 -4.545 1.00 10.00 H new ATOM 0 HG21 THR B 9 42.366 -4.729 -6.344 1.00 10.00 H new ATOM 0 HG22 THR B 9 42.648 -6.114 -7.425 1.00 10.00 H new ATOM 0 HG23 THR B 9 41.106 -5.228 -7.498 1.00 10.00 H new ATOM 672 N GLY B 10 39.238 -8.752 -4.723 1.00 10.00 N ATOM 673 CA GLY B 10 38.843 -9.693 -3.662 1.00 10.00 C ATOM 674 C GLY B 10 38.535 -8.965 -2.347 1.00 10.00 C ATOM 675 O GLY B 10 37.811 -9.494 -1.502 1.00 10.00 O ATOM 0 H GLY B 10 38.535 -8.040 -4.921 1.00 10.00 H new ATOM 0 HA2 GLY B 10 37.965 -10.255 -3.982 1.00 10.00 H new ATOM 0 HA3 GLY B 10 39.643 -10.416 -3.500 1.00 10.00 H new ATOM 679 N LYS B 11 39.117 -7.783 -2.180 1.00 10.00 N ATOM 680 CA LYS B 11 38.878 -6.937 -0.992 1.00 10.00 C ATOM 681 C LYS B 11 37.380 -6.586 -0.905 1.00 10.00 C ATOM 682 O LYS B 11 36.686 -6.443 -1.910 1.00 10.00 O ATOM 683 CB LYS B 11 39.713 -5.658 -1.077 1.00 10.00 C ATOM 684 CG LYS B 11 39.845 -4.998 0.304 1.00 10.00 C ATOM 685 CD LYS B 11 39.587 -3.488 0.269 1.00 10.00 C ATOM 686 CE LYS B 11 40.664 -2.683 -0.465 1.00 10.00 C ATOM 687 NZ LYS B 11 41.923 -2.630 0.295 1.00 10.00 N ATOM 0 H LYS B 11 39.766 -7.376 -2.854 1.00 10.00 H new ATOM 0 HA LYS B 11 39.173 -7.485 -0.097 1.00 10.00 H new ATOM 0 HB2 LYS B 11 40.703 -5.890 -1.470 1.00 10.00 H new ATOM 0 HB3 LYS B 11 39.249 -4.961 -1.775 1.00 10.00 H new ATOM 0 HG2 LYS B 11 39.142 -5.466 0.994 1.00 10.00 H new ATOM 0 HG3 LYS B 11 40.846 -5.182 0.695 1.00 10.00 H new ATOM 0 HD2 LYS B 11 38.625 -3.306 -0.209 1.00 10.00 H new ATOM 0 HD3 LYS B 11 39.509 -3.120 1.292 1.00 10.00 H new ATOM 0 HE2 LYS B 11 40.848 -3.130 -1.442 1.00 10.00 H new ATOM 0 HE3 LYS B 11 40.303 -1.670 -0.641 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 42.620 -2.062 -0.228 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 41.750 -2.196 1.224 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 42.290 -3.594 0.426 1.00 10.00 H new ATOM 701 N THR B 12 36.928 -6.433 0.338 1.00 10.00 N ATOM 702 CA THR B 12 35.531 -6.070 0.637 1.00 10.00 C ATOM 703 C THR B 12 35.524 -4.767 1.440 1.00 10.00 C ATOM 704 O THR B 12 36.133 -4.661 2.493 1.00 10.00 O ATOM 705 CB THR B 12 34.850 -7.199 1.430 1.00 10.00 C ATOM 706 OG1 THR B 12 34.833 -8.379 0.628 1.00 10.00 O ATOM 707 CG2 THR B 12 33.415 -6.862 1.855 1.00 10.00 C ATOM 0 H THR B 12 37.510 -6.555 1.167 1.00 10.00 H new ATOM 0 HA THR B 12 34.976 -5.927 -0.290 1.00 10.00 H new ATOM 0 HB THR B 12 35.426 -7.343 2.344 1.00 10.00 H new ATOM 0 HG1 THR B 12 34.402 -9.106 1.125 1.00 10.00 H new ATOM 0 HG21 THR B 12 32.993 -7.700 2.410 1.00 10.00 H new ATOM 0 HG22 THR B 12 33.422 -5.975 2.488 1.00 10.00 H new ATOM 0 HG23 THR B 12 32.809 -6.671 0.970 1.00 10.00 H new ATOM 715 N ILE B 13 34.705 -3.838 0.944 1.00 10.00 N ATOM 716 CA ILE B 13 34.489 -2.547 1.617 1.00 10.00 C ATOM 717 C ILE B 13 33.243 -2.713 2.501 1.00 10.00 C ATOM 718 O ILE B 13 32.212 -3.189 2.044 1.00 10.00 O ATOM 719 CB ILE B 13 34.212 -1.412 0.604 1.00 10.00 C ATOM 720 CG1 ILE B 13 34.948 -1.545 -0.742 1.00 10.00 C ATOM 721 CG2 ILE B 13 34.490 -0.046 1.248 1.00 10.00 C ATOM 722 CD1 ILE B 13 36.471 -1.709 -0.665 1.00 10.00 C ATOM 0 H ILE B 13 34.178 -3.952 0.078 1.00 10.00 H new ATOM 0 HA ILE B 13 35.381 -2.281 2.185 1.00 10.00 H new ATOM 0 HB ILE B 13 33.155 -1.499 0.351 1.00 10.00 H new ATOM 0 HG12 ILE B 13 34.537 -2.403 -1.274 1.00 10.00 H new ATOM 0 HG13 ILE B 13 34.728 -0.662 -1.342 1.00 10.00 H new ATOM 0 HG21 ILE B 13 34.291 0.745 0.524 1.00 10.00 H new ATOM 0 HG22 ILE B 13 33.844 0.085 2.116 1.00 10.00 H new ATOM 0 HG23 ILE B 13 35.533 0.003 1.562 1.00 10.00 H new ATOM 0 HD11 ILE B 13 36.879 -1.793 -1.672 1.00 10.00 H new ATOM 0 HD12 ILE B 13 36.906 -0.842 -0.168 1.00 10.00 H new ATOM 0 HD13 ILE B 13 36.712 -2.609 -0.100 1.00 10.00 H new ATOM 734 N THR B 14 33.376 -2.286 3.754 1.00 10.00 N ATOM 735 CA THR B 14 32.217 -2.214 4.660 1.00 10.00 C ATOM 736 C THR B 14 31.795 -0.746 4.751 1.00 10.00 C ATOM 737 O THR B 14 32.609 0.134 5.016 1.00 10.00 O ATOM 738 CB THR B 14 32.566 -2.760 6.054 1.00 10.00 C ATOM 739 OG1 THR B 14 32.973 -4.124 5.937 1.00 10.00 O ATOM 740 CG2 THR B 14 31.381 -2.669 7.017 1.00 10.00 C ATOM 0 H THR B 14 34.259 -1.987 4.168 1.00 10.00 H new ATOM 0 HA THR B 14 31.403 -2.827 4.273 1.00 10.00 H new ATOM 0 HB THR B 14 33.374 -2.151 6.459 1.00 10.00 H new ATOM 0 HG1 THR B 14 32.181 -4.698 5.874 1.00 10.00 H new ATOM 0 HG21 THR B 14 31.672 -3.065 7.990 1.00 10.00 H new ATOM 0 HG22 THR B 14 31.079 -1.627 7.125 1.00 10.00 H new ATOM 0 HG23 THR B 14 30.547 -3.249 6.623 1.00 10.00 H new ATOM 748 N LEU B 15 30.495 -0.541 4.565 1.00 10.00 N ATOM 749 CA LEU B 15 29.902 0.804 4.658 1.00 10.00 C ATOM 750 C LEU B 15 28.763 0.844 5.679 1.00 10.00 C ATOM 751 O LEU B 15 28.013 -0.114 5.819 1.00 10.00 O ATOM 752 CB LEU B 15 29.372 1.235 3.288 1.00 10.00 C ATOM 753 CG LEU B 15 30.448 1.296 2.200 1.00 10.00 C ATOM 754 CD1 LEU B 15 29.779 1.524 0.846 1.00 10.00 C ATOM 755 CD2 LEU B 15 31.454 2.419 2.474 1.00 10.00 C ATOM 0 H LEU B 15 29.827 -1.281 4.349 1.00 10.00 H new ATOM 0 HA LEU B 15 30.682 1.490 4.988 1.00 10.00 H new ATOM 0 HB2 LEU B 15 28.592 0.541 2.976 1.00 10.00 H new ATOM 0 HB3 LEU B 15 28.907 2.216 3.381 1.00 10.00 H new ATOM 0 HG LEU B 15 30.991 0.351 2.197 1.00 10.00 H new ATOM 0 HD11 LEU B 15 30.540 1.568 0.067 1.00 10.00 H new ATOM 0 HD12 LEU B 15 29.093 0.703 0.636 1.00 10.00 H new ATOM 0 HD13 LEU B 15 29.226 2.463 0.867 1.00 10.00 H new ATOM 0 HD21 LEU B 15 32.205 2.436 1.684 1.00 10.00 H new ATOM 0 HD22 LEU B 15 30.933 3.376 2.500 1.00 10.00 H new ATOM 0 HD23 LEU B 15 31.941 2.245 3.433 1.00 10.00 H new ATOM 767 N GLU B 16 28.689 1.982 6.367 1.00 10.00 N ATOM 768 CA GLU B 16 27.566 2.320 7.261 1.00 10.00 C ATOM 769 C GLU B 16 26.631 3.265 6.502 1.00 10.00 C ATOM 770 O GLU B 16 26.984 4.391 6.179 1.00 10.00 O ATOM 771 CB GLU B 16 28.101 3.001 8.527 1.00 10.00 C ATOM 772 CG GLU B 16 26.985 3.433 9.489 1.00 10.00 C ATOM 773 CD GLU B 16 26.122 2.263 9.974 1.00 10.00 C ATOM 774 OE1 GLU B 16 26.692 1.189 10.264 1.00 10.00 O ATOM 775 OE2 GLU B 16 24.895 2.476 10.056 1.00 10.00 O ATOM 0 H GLU B 16 29.408 2.705 6.324 1.00 10.00 H new ATOM 0 HA GLU B 16 27.026 1.421 7.560 1.00 10.00 H new ATOM 0 HB2 GLU B 16 28.775 2.318 9.044 1.00 10.00 H new ATOM 0 HB3 GLU B 16 28.688 3.875 8.243 1.00 10.00 H new ATOM 0 HG2 GLU B 16 27.429 3.931 10.351 1.00 10.00 H new ATOM 0 HG3 GLU B 16 26.348 4.165 8.992 1.00 10.00 H new ATOM 782 N VAL B 17 25.457 2.722 6.168 1.00 10.00 N ATOM 783 CA VAL B 17 24.479 3.433 5.335 1.00 10.00 C ATOM 784 C VAL B 17 23.066 3.397 5.950 1.00 10.00 C ATOM 785 O VAL B 17 22.791 2.741 6.944 1.00 10.00 O ATOM 786 CB VAL B 17 24.459 2.849 3.907 1.00 10.00 C ATOM 787 CG1 VAL B 17 25.819 2.963 3.211 1.00 10.00 C ATOM 788 CG2 VAL B 17 23.943 1.407 3.892 1.00 10.00 C ATOM 0 H VAL B 17 25.159 1.792 6.461 1.00 10.00 H new ATOM 0 HA VAL B 17 24.789 4.477 5.287 1.00 10.00 H new ATOM 0 HB VAL B 17 23.758 3.456 3.334 1.00 10.00 H new ATOM 0 HG11 VAL B 17 25.752 2.538 2.210 1.00 10.00 H new ATOM 0 HG12 VAL B 17 26.105 4.012 3.141 1.00 10.00 H new ATOM 0 HG13 VAL B 17 26.569 2.420 3.786 1.00 10.00 H new ATOM 0 HG21 VAL B 17 23.944 1.031 2.869 1.00 10.00 H new ATOM 0 HG22 VAL B 17 24.590 0.783 4.509 1.00 10.00 H new ATOM 0 HG23 VAL B 17 22.928 1.380 4.288 1.00 10.00 H new ATOM 798 N GLU B 18 22.176 4.090 5.258 1.00 10.00 N ATOM 799 CA GLU B 18 20.723 4.047 5.481 1.00 10.00 C ATOM 800 C GLU B 18 20.055 3.609 4.175 1.00 10.00 C ATOM 801 O GLU B 18 20.525 3.959 3.098 1.00 10.00 O ATOM 802 CB GLU B 18 20.232 5.443 5.885 1.00 10.00 C ATOM 803 CG GLU B 18 20.832 5.920 7.216 1.00 10.00 C ATOM 804 CD GLU B 18 20.561 4.986 8.406 1.00 10.00 C ATOM 805 OE1 GLU B 18 19.556 4.241 8.352 1.00 10.00 O ATOM 806 OE2 GLU B 18 21.366 5.049 9.359 1.00 10.00 O ATOM 0 H GLU B 18 22.443 4.719 4.501 1.00 10.00 H new ATOM 0 HA GLU B 18 20.474 3.345 6.277 1.00 10.00 H new ATOM 0 HB2 GLU B 18 20.488 6.155 5.100 1.00 10.00 H new ATOM 0 HB3 GLU B 18 19.145 5.433 5.964 1.00 10.00 H new ATOM 0 HG2 GLU B 18 21.910 6.031 7.095 1.00 10.00 H new ATOM 0 HG3 GLU B 18 20.433 6.908 7.447 1.00 10.00 H new ATOM 813 N SER B 19 18.878 2.981 4.296 1.00 10.00 N ATOM 814 CA SER B 19 18.076 2.584 3.115 1.00 10.00 C ATOM 815 C SER B 19 17.680 3.782 2.241 1.00 10.00 C ATOM 816 O SER B 19 17.585 3.678 1.018 1.00 10.00 O ATOM 817 CB SER B 19 16.793 1.862 3.531 1.00 10.00 C ATOM 818 OG SER B 19 17.119 0.693 4.283 1.00 10.00 O ATOM 0 H SER B 19 18.456 2.735 5.191 1.00 10.00 H new ATOM 0 HA SER B 19 18.718 1.918 2.538 1.00 10.00 H new ATOM 0 HB2 SER B 19 16.168 2.527 4.127 1.00 10.00 H new ATOM 0 HB3 SER B 19 16.216 1.588 2.648 1.00 10.00 H new ATOM 0 HG SER B 19 16.295 0.235 4.549 1.00 10.00 H new ATOM 824 N SER B 20 17.526 4.930 2.900 1.00 10.00 N ATOM 825 CA SER B 20 17.218 6.222 2.258 1.00 10.00 C ATOM 826 C SER B 20 18.375 6.843 1.459 1.00 10.00 C ATOM 827 O SER B 20 18.152 7.772 0.685 1.00 10.00 O ATOM 828 CB SER B 20 16.704 7.224 3.297 1.00 10.00 C ATOM 829 OG SER B 20 17.616 7.312 4.400 1.00 10.00 O ATOM 0 H SER B 20 17.612 4.997 3.914 1.00 10.00 H new ATOM 0 HA SER B 20 16.444 5.997 1.524 1.00 10.00 H new ATOM 0 HB2 SER B 20 16.584 8.205 2.837 1.00 10.00 H new ATOM 0 HB3 SER B 20 15.721 6.916 3.653 1.00 10.00 H new ATOM 0 HG SER B 20 17.276 7.957 5.055 1.00 10.00 H new ATOM 835 N ASP B 21 19.584 6.307 1.612 1.00 10.00 N ATOM 836 CA ASP B 21 20.754 6.812 0.864 1.00 10.00 C ATOM 837 C ASP B 21 20.591 6.584 -0.636 1.00 10.00 C ATOM 838 O ASP B 21 20.235 5.502 -1.087 1.00 10.00 O ATOM 839 CB ASP B 21 22.049 6.147 1.336 1.00 10.00 C ATOM 840 CG ASP B 21 22.449 6.580 2.751 1.00 10.00 C ATOM 841 OD1 ASP B 21 22.003 7.658 3.200 1.00 10.00 O ATOM 842 OD2 ASP B 21 23.279 5.855 3.332 1.00 10.00 O ATOM 0 H ASP B 21 19.788 5.529 2.240 1.00 10.00 H new ATOM 0 HA ASP B 21 20.815 7.883 1.059 1.00 10.00 H new ATOM 0 HB2 ASP B 21 21.927 5.064 1.312 1.00 10.00 H new ATOM 0 HB3 ASP B 21 22.854 6.393 0.643 1.00 10.00 H new ATOM 847 N THR B 22 20.849 7.670 -1.371 1.00 10.00 N ATOM 848 CA THR B 22 20.885 7.622 -2.841 1.00 10.00 C ATOM 849 C THR B 22 22.129 6.825 -3.262 1.00 10.00 C ATOM 850 O THR B 22 23.128 6.782 -2.556 1.00 10.00 O ATOM 851 CB THR B 22 20.933 9.030 -3.463 1.00 10.00 C ATOM 852 OG1 THR B 22 22.175 9.666 -3.141 1.00 10.00 O ATOM 853 CG2 THR B 22 19.742 9.889 -3.025 1.00 10.00 C ATOM 0 H THR B 22 21.036 8.592 -0.976 1.00 10.00 H new ATOM 0 HA THR B 22 19.973 7.144 -3.200 1.00 10.00 H new ATOM 0 HB THR B 22 20.863 8.923 -4.545 1.00 10.00 H new ATOM 0 HG1 THR B 22 22.198 10.560 -3.542 1.00 10.00 H new ATOM 0 HG21 THR B 22 19.815 10.874 -3.486 1.00 10.00 H new ATOM 0 HG22 THR B 22 18.814 9.410 -3.337 1.00 10.00 H new ATOM 0 HG23 THR B 22 19.749 9.995 -1.940 1.00 10.00 H new ATOM 861 N ILE B 23 22.052 6.221 -4.451 1.00 10.00 N ATOM 862 CA ILE B 23 23.198 5.479 -5.021 1.00 10.00 C ATOM 863 C ILE B 23 24.425 6.387 -5.190 1.00 10.00 C ATOM 864 O ILE B 23 25.538 6.017 -4.812 1.00 10.00 O ATOM 865 CB ILE B 23 22.789 4.821 -6.354 1.00 10.00 C ATOM 866 CG1 ILE B 23 21.639 3.822 -6.149 1.00 10.00 C ATOM 867 CG2 ILE B 23 23.964 4.179 -7.109 1.00 10.00 C ATOM 868 CD1 ILE B 23 21.910 2.701 -5.134 1.00 10.00 C ATOM 0 H ILE B 23 21.219 6.226 -5.039 1.00 10.00 H new ATOM 0 HA ILE B 23 23.483 4.691 -4.324 1.00 10.00 H new ATOM 0 HB ILE B 23 22.434 5.629 -6.993 1.00 10.00 H new ATOM 0 HG12 ILE B 23 20.755 4.373 -5.828 1.00 10.00 H new ATOM 0 HG13 ILE B 23 21.400 3.368 -7.111 1.00 10.00 H new ATOM 0 HG21 ILE B 23 23.602 3.736 -8.037 1.00 10.00 H new ATOM 0 HG22 ILE B 23 24.709 4.941 -7.338 1.00 10.00 H new ATOM 0 HG23 ILE B 23 24.415 3.404 -6.489 1.00 10.00 H new ATOM 0 HD11 ILE B 23 21.036 2.053 -5.065 1.00 10.00 H new ATOM 0 HD12 ILE B 23 22.771 2.116 -5.459 1.00 10.00 H new ATOM 0 HD13 ILE B 23 22.116 3.137 -4.157 1.00 10.00 H new ATOM 880 N ASP B 24 24.156 7.617 -5.619 1.00 10.00 N ATOM 881 CA ASP B 24 25.197 8.655 -5.751 1.00 10.00 C ATOM 882 C ASP B 24 25.900 8.915 -4.406 1.00 10.00 C ATOM 883 O ASP B 24 27.123 9.021 -4.351 1.00 10.00 O ATOM 884 CB ASP B 24 24.559 9.943 -6.284 1.00 10.00 C ATOM 885 CG ASP B 24 25.597 11.059 -6.436 1.00 10.00 C ATOM 886 OD1 ASP B 24 26.526 10.864 -7.244 1.00 10.00 O ATOM 887 OD2 ASP B 24 25.429 12.062 -5.712 1.00 10.00 O ATOM 0 H ASP B 24 23.222 7.929 -5.885 1.00 10.00 H new ATOM 0 HA ASP B 24 25.955 8.306 -6.452 1.00 10.00 H new ATOM 0 HB2 ASP B 24 24.090 9.747 -7.248 1.00 10.00 H new ATOM 0 HB3 ASP B 24 23.770 10.268 -5.606 1.00 10.00 H new ATOM 892 N ASN B 25 25.101 8.939 -3.340 1.00 10.00 N ATOM 893 CA ASN B 25 25.592 9.118 -1.965 1.00 10.00 C ATOM 894 C ASN B 25 26.492 7.953 -1.517 1.00 10.00 C ATOM 895 O ASN B 25 27.531 8.171 -0.900 1.00 10.00 O ATOM 896 CB ASN B 25 24.387 9.260 -1.033 1.00 10.00 C ATOM 897 CG ASN B 25 24.783 9.372 0.431 1.00 10.00 C ATOM 898 OD1 ASN B 25 24.219 8.498 1.219 1.00 10.00 O flip ATOM 899 ND2 ASN B 25 25.586 10.195 0.849 1.00 10.00 N flip ATOM 0 H ASN B 25 24.088 8.835 -3.401 1.00 10.00 H new ATOM 0 HA ASN B 25 26.206 10.018 -1.926 1.00 10.00 H new ATOM 0 HB2 ASN B 25 23.815 10.143 -1.318 1.00 10.00 H new ATOM 0 HB3 ASN B 25 23.730 8.400 -1.162 1.00 10.00 H new ATOM 0 HD21 ASN B 25 26.010 10.865 0.208 1.00 10.00 H new ATOM 0 HD22 ASN B 25 25.832 10.211 1.839 1.00 10.00 H new ATOM 906 N VAL B 26 26.114 6.735 -1.907 1.00 10.00 N ATOM 907 CA VAL B 26 26.916 5.519 -1.643 1.00 10.00 C ATOM 908 C VAL B 26 28.273 5.600 -2.357 1.00 10.00 C ATOM 909 O VAL B 26 29.313 5.377 -1.748 1.00 10.00 O ATOM 910 CB VAL B 26 26.141 4.252 -2.061 1.00 10.00 C ATOM 911 CG1 VAL B 26 26.991 2.973 -1.991 1.00 10.00 C ATOM 912 CG2 VAL B 26 24.927 4.057 -1.153 1.00 10.00 C ATOM 0 H VAL B 26 25.248 6.554 -2.414 1.00 10.00 H new ATOM 0 HA VAL B 26 27.104 5.457 -0.571 1.00 10.00 H new ATOM 0 HB VAL B 26 25.844 4.410 -3.098 1.00 10.00 H new ATOM 0 HG11 VAL B 26 26.388 2.118 -2.297 1.00 10.00 H new ATOM 0 HG12 VAL B 26 27.849 3.069 -2.657 1.00 10.00 H new ATOM 0 HG13 VAL B 26 27.340 2.824 -0.969 1.00 10.00 H new ATOM 0 HG21 VAL B 26 24.386 3.160 -1.456 1.00 10.00 H new ATOM 0 HG22 VAL B 26 25.259 3.949 -0.120 1.00 10.00 H new ATOM 0 HG23 VAL B 26 24.269 4.922 -1.234 1.00 10.00 H new ATOM 922 N LYS B 27 28.238 5.933 -3.646 1.00 10.00 N ATOM 923 CA LYS B 27 29.453 6.051 -4.471 1.00 10.00 C ATOM 924 C LYS B 27 30.436 7.094 -3.909 1.00 10.00 C ATOM 925 O LYS B 27 31.645 6.859 -3.867 1.00 10.00 O ATOM 926 CB LYS B 27 29.088 6.413 -5.911 1.00 10.00 C ATOM 927 CG LYS B 27 28.339 5.265 -6.590 1.00 10.00 C ATOM 928 CD LYS B 27 27.990 5.626 -8.030 1.00 10.00 C ATOM 929 CE LYS B 27 27.299 4.444 -8.711 1.00 10.00 C ATOM 930 NZ LYS B 27 26.913 4.786 -10.085 1.00 10.00 N ATOM 0 H LYS B 27 27.374 6.129 -4.152 1.00 10.00 H new ATOM 0 HA LYS B 27 29.948 5.080 -4.451 1.00 10.00 H new ATOM 0 HB2 LYS B 27 28.470 7.311 -5.919 1.00 10.00 H new ATOM 0 HB3 LYS B 27 29.993 6.644 -6.473 1.00 10.00 H new ATOM 0 HG2 LYS B 27 28.953 4.364 -6.574 1.00 10.00 H new ATOM 0 HG3 LYS B 27 27.428 5.040 -6.035 1.00 10.00 H new ATOM 0 HD2 LYS B 27 27.337 6.499 -8.047 1.00 10.00 H new ATOM 0 HD3 LYS B 27 28.894 5.893 -8.576 1.00 10.00 H new ATOM 0 HE2 LYS B 27 27.967 3.583 -8.720 1.00 10.00 H new ATOM 0 HE3 LYS B 27 26.415 4.156 -8.141 1.00 10.00 H new ATOM 0 HZ1 LYS B 27 26.034 4.289 -10.333 1.00 10.00 H new ATOM 0 HZ2 LYS B 27 26.763 5.812 -10.158 1.00 10.00 H new ATOM 0 HZ3 LYS B 27 27.669 4.499 -10.739 1.00 10.00 H new ATOM 944 N SER B 28 29.868 8.169 -3.359 1.00 10.00 N ATOM 945 CA SER B 28 30.627 9.197 -2.620 1.00 10.00 C ATOM 946 C SER B 28 31.274 8.636 -1.339 1.00 10.00 C ATOM 947 O SER B 28 32.459 8.842 -1.087 1.00 10.00 O ATOM 948 CB SER B 28 29.715 10.372 -2.262 1.00 10.00 C ATOM 949 OG SER B 28 30.500 11.396 -1.651 1.00 10.00 O ATOM 0 H SER B 28 28.867 8.358 -3.410 1.00 10.00 H new ATOM 0 HA SER B 28 31.429 9.537 -3.276 1.00 10.00 H new ATOM 0 HB2 SER B 28 29.225 10.756 -3.157 1.00 10.00 H new ATOM 0 HB3 SER B 28 28.927 10.045 -1.583 1.00 10.00 H new ATOM 0 HG SER B 28 29.925 12.155 -1.419 1.00 10.00 H new ATOM 955 N LYS B 29 30.541 7.753 -0.655 1.00 10.00 N ATOM 956 CA LYS B 29 31.056 7.010 0.518 1.00 10.00 C ATOM 957 C LYS B 29 32.213 6.063 0.142 1.00 10.00 C ATOM 958 O LYS B 29 33.169 5.914 0.897 1.00 10.00 O ATOM 959 CB LYS B 29 29.957 6.185 1.196 1.00 10.00 C ATOM 960 CG LYS B 29 28.866 7.041 1.839 1.00 10.00 C ATOM 961 CD LYS B 29 27.813 6.127 2.471 1.00 10.00 C ATOM 962 CE LYS B 29 26.641 6.898 3.083 1.00 10.00 C ATOM 963 NZ LYS B 29 27.028 7.654 4.285 1.00 10.00 N ATOM 0 H LYS B 29 29.575 7.527 -0.891 1.00 10.00 H new ATOM 0 HA LYS B 29 31.422 7.769 1.210 1.00 10.00 H new ATOM 0 HB2 LYS B 29 29.502 5.523 0.459 1.00 10.00 H new ATOM 0 HB3 LYS B 29 30.408 5.550 1.959 1.00 10.00 H new ATOM 0 HG2 LYS B 29 29.299 7.694 2.597 1.00 10.00 H new ATOM 0 HG3 LYS B 29 28.404 7.684 1.090 1.00 10.00 H new ATOM 0 HD2 LYS B 29 27.433 5.441 1.713 1.00 10.00 H new ATOM 0 HD3 LYS B 29 28.284 5.519 3.244 1.00 10.00 H new ATOM 0 HE2 LYS B 29 26.236 7.585 2.341 1.00 10.00 H new ATOM 0 HE3 LYS B 29 25.845 6.199 3.338 1.00 10.00 H new ATOM 0 HZ1 LYS B 29 26.199 8.158 4.660 1.00 10.00 H new ATOM 0 HZ2 LYS B 29 27.390 6.998 5.006 1.00 10.00 H new ATOM 0 HZ3 LYS B 29 27.769 8.341 4.039 1.00 10.00 H new ATOM 977 N ILE B 30 32.147 5.504 -1.069 1.00 10.00 N ATOM 978 CA ILE B 30 33.220 4.659 -1.642 1.00 10.00 C ATOM 979 C ILE B 30 34.467 5.509 -1.928 1.00 10.00 C ATOM 980 O ILE B 30 35.589 5.101 -1.642 1.00 10.00 O ATOM 981 CB ILE B 30 32.733 3.908 -2.899 1.00 10.00 C ATOM 982 CG1 ILE B 30 31.680 2.868 -2.488 1.00 10.00 C ATOM 983 CG2 ILE B 30 33.890 3.263 -3.694 1.00 10.00 C ATOM 984 CD1 ILE B 30 30.987 2.143 -3.651 1.00 10.00 C ATOM 0 H ILE B 30 31.346 5.620 -1.690 1.00 10.00 H new ATOM 0 HA ILE B 30 33.492 3.899 -0.910 1.00 10.00 H new ATOM 0 HB ILE B 30 32.281 4.633 -3.576 1.00 10.00 H new ATOM 0 HG12 ILE B 30 32.157 2.124 -1.850 1.00 10.00 H new ATOM 0 HG13 ILE B 30 30.919 3.364 -1.885 1.00 10.00 H new ATOM 0 HG21 ILE B 30 33.489 2.749 -4.567 1.00 10.00 H new ATOM 0 HG22 ILE B 30 34.586 4.037 -4.017 1.00 10.00 H new ATOM 0 HG23 ILE B 30 34.413 2.547 -3.060 1.00 10.00 H new ATOM 0 HD11 ILE B 30 30.263 1.431 -3.256 1.00 10.00 H new ATOM 0 HD12 ILE B 30 30.474 2.871 -4.280 1.00 10.00 H new ATOM 0 HD13 ILE B 30 31.732 1.612 -4.244 1.00 10.00 H new ATOM 996 N GLN B 31 34.242 6.679 -2.523 1.00 10.00 N ATOM 997 CA GLN B 31 35.317 7.653 -2.777 1.00 10.00 C ATOM 998 C GLN B 31 35.998 8.070 -1.465 1.00 10.00 C ATOM 999 O GLN B 31 37.223 8.125 -1.403 1.00 10.00 O ATOM 1000 CB GLN B 31 34.719 8.874 -3.474 1.00 10.00 C ATOM 1001 CG GLN B 31 35.800 9.888 -3.852 1.00 10.00 C ATOM 1002 CD GLN B 31 35.214 11.120 -4.534 1.00 10.00 C ATOM 1003 OE1 GLN B 31 34.088 11.550 -4.313 1.00 10.00 O ATOM 1004 NE2 GLN B 31 35.985 11.685 -5.430 1.00 10.00 N ATOM 0 H GLN B 31 33.322 6.982 -2.842 1.00 10.00 H new ATOM 0 HA GLN B 31 36.074 7.196 -3.414 1.00 10.00 H new ATOM 0 HB2 GLN B 31 34.186 8.558 -4.370 1.00 10.00 H new ATOM 0 HB3 GLN B 31 33.988 9.347 -2.818 1.00 10.00 H new ATOM 0 HG2 GLN B 31 36.341 10.192 -2.956 1.00 10.00 H new ATOM 0 HG3 GLN B 31 36.524 9.416 -4.516 1.00 10.00 H new ATOM 0 HE21 GLN B 31 36.920 11.316 -5.604 1.00 10.00 H new ATOM 0 HE22 GLN B 31 35.650 12.494 -5.954 1.00 10.00 H new ATOM 1013 N ASP B 32 35.194 8.172 -0.411 1.00 10.00 N ATOM 1014 CA ASP B 32 35.680 8.496 0.943 1.00 10.00 C ATOM 1015 C ASP B 32 36.552 7.415 1.592 1.00 10.00 C ATOM 1016 O ASP B 32 37.364 7.737 2.461 1.00 10.00 O ATOM 1017 CB ASP B 32 34.511 8.889 1.852 1.00 10.00 C ATOM 1018 CG ASP B 32 33.975 10.286 1.518 1.00 10.00 C ATOM 1019 OD1 ASP B 32 34.792 11.150 1.127 1.00 10.00 O ATOM 1020 OD2 ASP B 32 32.752 10.469 1.703 1.00 10.00 O ATOM 0 H ASP B 32 34.185 8.034 -0.463 1.00 10.00 H new ATOM 0 HA ASP B 32 36.348 9.348 0.817 1.00 10.00 H new ATOM 0 HB2 ASP B 32 33.709 8.158 1.749 1.00 10.00 H new ATOM 0 HB3 ASP B 32 34.835 8.863 2.892 1.00 10.00 H new ATOM 1025 N LYS B 33 36.386 6.166 1.172 1.00 10.00 N ATOM 1026 CA LYS B 33 37.215 5.061 1.691 1.00 10.00 C ATOM 1027 C LYS B 33 38.340 4.615 0.751 1.00 10.00 C ATOM 1028 O LYS B 33 39.456 4.360 1.188 1.00 10.00 O ATOM 1029 CB LYS B 33 36.366 3.841 2.055 1.00 10.00 C ATOM 1030 CG LYS B 33 35.559 4.057 3.340 1.00 10.00 C ATOM 1031 CD LYS B 33 35.156 2.723 3.981 1.00 10.00 C ATOM 1032 CE LYS B 33 36.381 1.968 4.511 1.00 10.00 C ATOM 1033 NZ LYS B 33 36.021 0.697 5.150 1.00 10.00 N ATOM 0 H LYS B 33 35.693 5.885 0.479 1.00 10.00 H new ATOM 0 HA LYS B 33 37.684 5.477 2.583 1.00 10.00 H new ATOM 0 HB2 LYS B 33 35.685 3.617 1.234 1.00 10.00 H new ATOM 0 HB3 LYS B 33 37.014 2.973 2.177 1.00 10.00 H new ATOM 0 HG2 LYS B 33 36.149 4.639 4.048 1.00 10.00 H new ATOM 0 HG3 LYS B 33 34.665 4.639 3.116 1.00 10.00 H new ATOM 0 HD2 LYS B 33 34.457 2.906 4.797 1.00 10.00 H new ATOM 0 HD3 LYS B 33 34.636 2.107 3.248 1.00 10.00 H new ATOM 0 HE2 LYS B 33 37.070 1.776 3.688 1.00 10.00 H new ATOM 0 HE3 LYS B 33 36.909 2.596 5.229 1.00 10.00 H new ATOM 0 HZ1 LYS B 33 36.882 0.224 5.492 1.00 10.00 H new ATOM 0 HZ2 LYS B 33 35.385 0.880 5.952 1.00 10.00 H new ATOM 0 HZ3 LYS B 33 35.541 0.085 4.460 1.00 10.00 H new ATOM 1047 N GLU B 34 38.048 4.587 -0.545 1.00 10.00 N ATOM 1048 CA GLU B 34 38.980 4.039 -1.549 1.00 10.00 C ATOM 1049 C GLU B 34 39.712 5.094 -2.381 1.00 10.00 C ATOM 1050 O GLU B 34 40.814 4.837 -2.868 1.00 10.00 O ATOM 1051 CB GLU B 34 38.225 3.065 -2.456 1.00 10.00 C ATOM 1052 CG GLU B 34 37.804 1.798 -1.704 1.00 10.00 C ATOM 1053 CD GLU B 34 38.993 1.000 -1.147 1.00 10.00 C ATOM 1054 OE1 GLU B 34 40.024 0.917 -1.853 1.00 10.00 O ATOM 1055 OE2 GLU B 34 38.812 0.421 -0.055 1.00 10.00 O ATOM 0 H GLU B 34 37.173 4.936 -0.935 1.00 10.00 H new ATOM 0 HA GLU B 34 39.765 3.524 -0.995 1.00 10.00 H new ATOM 0 HB2 GLU B 34 37.341 3.557 -2.862 1.00 10.00 H new ATOM 0 HB3 GLU B 34 38.856 2.793 -3.302 1.00 10.00 H new ATOM 0 HG2 GLU B 34 37.143 2.074 -0.882 1.00 10.00 H new ATOM 0 HG3 GLU B 34 37.229 1.160 -2.375 1.00 10.00 H new ATOM 1062 N GLY B 35 39.045 6.230 -2.597 1.00 10.00 N ATOM 1063 CA GLY B 35 39.573 7.317 -3.442 1.00 10.00 C ATOM 1064 C GLY B 35 39.084 7.222 -4.896 1.00 10.00 C ATOM 1065 O GLY B 35 39.431 8.051 -5.729 1.00 10.00 O ATOM 0 H GLY B 35 38.128 6.427 -2.196 1.00 10.00 H new ATOM 0 HA2 GLY B 35 39.273 8.277 -3.023 1.00 10.00 H new ATOM 0 HA3 GLY B 35 40.663 7.289 -3.426 1.00 10.00 H new ATOM 1069 N ILE B 36 38.237 6.227 -5.155 1.00 10.00 N ATOM 1070 CA ILE B 36 37.652 5.979 -6.490 1.00 10.00 C ATOM 1071 C ILE B 36 36.641 7.092 -6.819 1.00 10.00 C ATOM 1072 O ILE B 36 35.653 7.258 -6.105 1.00 10.00 O ATOM 1073 CB ILE B 36 37.003 4.584 -6.590 1.00 10.00 C ATOM 1074 CG1 ILE B 36 38.020 3.493 -6.213 1.00 10.00 C ATOM 1075 CG2 ILE B 36 36.470 4.344 -8.016 1.00 10.00 C ATOM 1076 CD1 ILE B 36 37.418 2.087 -6.068 1.00 10.00 C ATOM 0 H ILE B 36 37.930 5.561 -4.446 1.00 10.00 H new ATOM 0 HA ILE B 36 38.456 5.995 -7.226 1.00 10.00 H new ATOM 0 HB ILE B 36 36.167 4.539 -5.892 1.00 10.00 H new ATOM 0 HG12 ILE B 36 38.801 3.464 -6.972 1.00 10.00 H new ATOM 0 HG13 ILE B 36 38.499 3.769 -5.273 1.00 10.00 H new ATOM 0 HG21 ILE B 36 36.014 3.355 -8.073 1.00 10.00 H new ATOM 0 HG22 ILE B 36 35.725 5.102 -8.258 1.00 10.00 H new ATOM 0 HG23 ILE B 36 37.294 4.405 -8.727 1.00 10.00 H new ATOM 0 HD11 ILE B 36 38.204 1.380 -5.801 1.00 10.00 H new ATOM 0 HD12 ILE B 36 36.657 2.096 -5.287 1.00 10.00 H new ATOM 0 HD13 ILE B 36 36.965 1.786 -7.013 1.00 10.00 H new ATOM 1088 N PRO B 37 36.837 7.747 -7.976 1.00 10.00 N ATOM 1089 CA PRO B 37 35.890 8.742 -8.506 1.00 10.00 C ATOM 1090 C PRO B 37 34.509 8.098 -8.729 1.00 10.00 C ATOM 1091 O PRO B 37 34.414 7.055 -9.377 1.00 10.00 O ATOM 1092 CB PRO B 37 36.501 9.191 -9.834 1.00 10.00 C ATOM 1093 CG PRO B 37 37.999 9.017 -9.597 1.00 10.00 C ATOM 1094 CD PRO B 37 38.073 7.727 -8.783 1.00 10.00 C ATOM 0 HA PRO B 37 35.737 9.578 -7.824 1.00 10.00 H new ATOM 0 HB2 PRO B 37 36.150 8.581 -10.667 1.00 10.00 H new ATOM 0 HB3 PRO B 37 36.246 10.225 -10.067 1.00 10.00 H new ATOM 0 HG2 PRO B 37 38.549 8.934 -10.535 1.00 10.00 H new ATOM 0 HG3 PRO B 37 38.422 9.862 -9.053 1.00 10.00 H new ATOM 0 HD2 PRO B 37 38.115 6.849 -9.428 1.00 10.00 H new ATOM 0 HD3 PRO B 37 38.962 7.702 -8.153 1.00 10.00 H new ATOM 1102 N PRO B 38 33.447 8.723 -8.191 1.00 10.00 N ATOM 1103 CA PRO B 38 32.053 8.236 -8.288 1.00 10.00 C ATOM 1104 C PRO B 38 31.562 8.022 -9.724 1.00 10.00 C ATOM 1105 O PRO B 38 30.962 7.015 -10.042 1.00 10.00 O ATOM 1106 CB PRO B 38 31.211 9.320 -7.614 1.00 10.00 C ATOM 1107 CG PRO B 38 32.170 9.905 -6.583 1.00 10.00 C ATOM 1108 CD PRO B 38 33.507 9.909 -7.322 1.00 10.00 C ATOM 0 HA PRO B 38 31.975 7.256 -7.818 1.00 10.00 H new ATOM 0 HB2 PRO B 38 30.876 10.073 -8.327 1.00 10.00 H new ATOM 0 HB3 PRO B 38 30.318 8.905 -7.146 1.00 10.00 H new ATOM 0 HG2 PRO B 38 31.873 10.909 -6.280 1.00 10.00 H new ATOM 0 HG3 PRO B 38 32.210 9.298 -5.679 1.00 10.00 H new ATOM 0 HD2 PRO B 38 33.637 10.822 -7.903 1.00 10.00 H new ATOM 0 HD3 PRO B 38 34.345 9.851 -6.628 1.00 10.00 H new ATOM 1116 N ASP B 39 32.006 8.926 -10.616 1.00 10.00 N ATOM 1117 CA ASP B 39 31.670 8.889 -12.049 1.00 10.00 C ATOM 1118 C ASP B 39 32.464 7.847 -12.861 1.00 10.00 C ATOM 1119 O ASP B 39 32.561 7.934 -14.081 1.00 10.00 O ATOM 1120 CB ASP B 39 31.837 10.306 -12.633 1.00 10.00 C ATOM 1121 CG ASP B 39 33.244 10.913 -12.492 1.00 10.00 C ATOM 1122 OD1 ASP B 39 33.931 10.593 -11.494 1.00 10.00 O ATOM 1123 OD2 ASP B 39 33.572 11.770 -13.338 1.00 10.00 O ATOM 0 H ASP B 39 32.611 9.706 -10.360 1.00 10.00 H new ATOM 0 HA ASP B 39 30.633 8.563 -12.131 1.00 10.00 H new ATOM 0 HB2 ASP B 39 31.575 10.278 -13.691 1.00 10.00 H new ATOM 0 HB3 ASP B 39 31.123 10.969 -12.145 1.00 10.00 H new ATOM 1128 N GLN B 40 33.094 6.914 -12.148 1.00 10.00 N ATOM 1129 CA GLN B 40 33.780 5.761 -12.757 1.00 10.00 C ATOM 1130 C GLN B 40 33.342 4.430 -12.105 1.00 10.00 C ATOM 1131 O GLN B 40 33.878 3.359 -12.379 1.00 10.00 O ATOM 1132 CB GLN B 40 35.286 5.982 -12.605 1.00 10.00 C ATOM 1133 CG GLN B 40 36.086 5.019 -13.492 1.00 10.00 C ATOM 1134 CD GLN B 40 37.549 4.879 -13.064 1.00 10.00 C ATOM 1135 OE1 GLN B 40 37.821 5.032 -11.785 1.00 10.00 O flip ATOM 1136 NE2 GLN B 40 38.435 4.617 -13.867 1.00 10.00 N flip ATOM 0 H GLN B 40 33.147 6.931 -11.129 1.00 10.00 H new ATOM 0 HA GLN B 40 33.514 5.687 -13.812 1.00 10.00 H new ATOM 0 HB2 GLN B 40 35.533 7.011 -12.868 1.00 10.00 H new ATOM 0 HB3 GLN B 40 35.572 5.842 -11.563 1.00 10.00 H new ATOM 0 HG2 GLN B 40 35.612 4.037 -13.471 1.00 10.00 H new ATOM 0 HG3 GLN B 40 36.048 5.369 -14.524 1.00 10.00 H new ATOM 0 HE21 GLN B 40 38.210 4.501 -14.855 1.00 10.00 H new ATOM 0 HE22 GLN B 40 39.398 4.515 -13.548 1.00 10.00 H new ATOM 1145 N GLN B 41 32.347 4.523 -11.228 1.00 10.00 N ATOM 1146 CA GLN B 41 31.819 3.364 -10.496 1.00 10.00 C ATOM 1147 C GLN B 41 30.506 2.911 -11.141 1.00 10.00 C ATOM 1148 O GLN B 41 29.639 3.717 -11.462 1.00 10.00 O ATOM 1149 CB GLN B 41 31.510 3.786 -9.060 1.00 10.00 C ATOM 1150 CG GLN B 41 32.726 4.327 -8.304 1.00 10.00 C ATOM 1151 CD GLN B 41 32.335 4.744 -6.887 1.00 10.00 C ATOM 1152 OE1 GLN B 41 31.573 4.095 -6.183 1.00 10.00 O ATOM 1153 NE2 GLN B 41 32.902 5.833 -6.425 1.00 10.00 N ATOM 0 H GLN B 41 31.881 5.401 -11.001 1.00 10.00 H new ATOM 0 HA GLN B 41 32.553 2.558 -10.517 1.00 10.00 H new ATOM 0 HB2 GLN B 41 30.732 4.550 -9.074 1.00 10.00 H new ATOM 0 HB3 GLN B 41 31.107 2.931 -8.518 1.00 10.00 H new ATOM 0 HG2 GLN B 41 33.504 3.565 -8.263 1.00 10.00 H new ATOM 0 HG3 GLN B 41 33.143 5.181 -8.838 1.00 10.00 H new ATOM 0 HE21 GLN B 41 33.536 6.369 -7.018 1.00 10.00 H new ATOM 0 HE22 GLN B 41 32.709 6.144 -5.473 1.00 10.00 H new ATOM 1162 N ARG B 42 30.421 1.594 -11.333 1.00 10.00 N ATOM 1163 CA ARG B 42 29.185 0.924 -11.768 1.00 10.00 C ATOM 1164 C ARG B 42 28.827 -0.145 -10.730 1.00 10.00 C ATOM 1165 O ARG B 42 29.567 -1.105 -10.539 1.00 10.00 O ATOM 1166 CB ARG B 42 29.368 0.273 -13.144 1.00 10.00 C ATOM 1167 CG ARG B 42 29.579 1.319 -14.240 1.00 10.00 C ATOM 1168 CD ARG B 42 29.971 0.679 -15.573 1.00 10.00 C ATOM 1169 NE ARG B 42 28.862 -0.056 -16.207 1.00 10.00 N ATOM 1170 CZ ARG B 42 28.973 -0.755 -17.349 1.00 10.00 C ATOM 1171 NH1 ARG B 42 30.130 -0.851 -17.981 1.00 10.00 N ATOM 1172 NH2 ARG B 42 27.910 -1.317 -17.885 1.00 10.00 N ATOM 0 H ARG B 42 31.205 0.957 -11.192 1.00 10.00 H new ATOM 0 HA ARG B 42 28.385 1.659 -11.851 1.00 10.00 H new ATOM 0 HB2 ARG B 42 30.223 -0.403 -13.116 1.00 10.00 H new ATOM 0 HB3 ARG B 42 28.492 -0.331 -13.381 1.00 10.00 H new ATOM 0 HG2 ARG B 42 28.664 1.898 -14.370 1.00 10.00 H new ATOM 0 HG3 ARG B 42 30.356 2.017 -13.930 1.00 10.00 H new ATOM 0 HD2 ARG B 42 30.321 1.455 -16.253 1.00 10.00 H new ATOM 0 HD3 ARG B 42 30.806 -0.003 -15.411 1.00 10.00 H new ATOM 0 HE ARG B 42 27.951 -0.032 -15.749 1.00 10.00 H new ATOM 0 HH11 ARG B 42 30.958 -0.390 -17.603 1.00 10.00 H new ATOM 0 HH12 ARG B 42 30.195 -1.386 -18.847 1.00 10.00 H new ATOM 0 HH21 ARG B 42 27.000 -1.222 -17.433 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.996 -1.847 -18.752 1.00 10.00 H new ATOM 1186 N LEU B 43 27.767 0.141 -9.976 1.00 10.00 N ATOM 1187 CA LEU B 43 27.325 -0.744 -8.883 1.00 10.00 C ATOM 1188 C LEU B 43 26.204 -1.685 -9.335 1.00 10.00 C ATOM 1189 O LEU B 43 25.271 -1.275 -10.011 1.00 10.00 O ATOM 1190 CB LEU B 43 26.836 0.058 -7.675 1.00 10.00 C ATOM 1191 CG LEU B 43 27.912 0.932 -7.023 1.00 10.00 C ATOM 1192 CD1 LEU B 43 27.302 1.667 -5.831 1.00 10.00 C ATOM 1193 CD2 LEU B 43 29.110 0.102 -6.549 1.00 10.00 C ATOM 0 H LEU B 43 27.194 0.976 -10.096 1.00 10.00 H new ATOM 0 HA LEU B 43 28.195 -1.335 -8.597 1.00 10.00 H new ATOM 0 HB2 LEU B 43 26.007 0.694 -7.987 1.00 10.00 H new ATOM 0 HB3 LEU B 43 26.444 -0.633 -6.929 1.00 10.00 H new ATOM 0 HG LEU B 43 28.272 1.641 -7.769 1.00 10.00 H new ATOM 0 HD11 LEU B 43 28.062 2.292 -5.361 1.00 10.00 H new ATOM 0 HD12 LEU B 43 26.478 2.293 -6.173 1.00 10.00 H new ATOM 0 HD13 LEU B 43 26.931 0.941 -5.107 1.00 10.00 H new ATOM 0 HD21 LEU B 43 29.850 0.759 -6.093 1.00 10.00 H new ATOM 0 HD22 LEU B 43 28.776 -0.633 -5.816 1.00 10.00 H new ATOM 0 HD23 LEU B 43 29.557 -0.411 -7.400 1.00 10.00 H new ATOM 1205 N ILE B 44 26.350 -2.941 -8.917 1.00 10.00 N ATOM 1206 CA ILE B 44 25.403 -4.014 -9.270 1.00 10.00 C ATOM 1207 C ILE B 44 24.816 -4.593 -7.979 1.00 10.00 C ATOM 1208 O ILE B 44 25.542 -4.866 -7.023 1.00 10.00 O ATOM 1209 CB ILE B 44 26.089 -5.112 -10.126 1.00 10.00 C ATOM 1210 CG1 ILE B 44 26.448 -4.621 -11.536 1.00 10.00 C ATOM 1211 CG2 ILE B 44 25.247 -6.387 -10.298 1.00 10.00 C ATOM 1212 CD1 ILE B 44 27.641 -3.662 -11.623 1.00 10.00 C ATOM 0 H ILE B 44 27.122 -3.250 -8.326 1.00 10.00 H new ATOM 0 HA ILE B 44 24.598 -3.604 -9.879 1.00 10.00 H new ATOM 0 HB ILE B 44 26.988 -5.348 -9.557 1.00 10.00 H new ATOM 0 HG12 ILE B 44 26.657 -5.489 -12.161 1.00 10.00 H new ATOM 0 HG13 ILE B 44 25.575 -4.125 -11.961 1.00 10.00 H new ATOM 0 HG21 ILE B 44 25.795 -7.105 -10.908 1.00 10.00 H new ATOM 0 HG22 ILE B 44 25.042 -6.823 -9.320 1.00 10.00 H new ATOM 0 HG23 ILE B 44 24.306 -6.138 -10.788 1.00 10.00 H new ATOM 0 HD11 ILE B 44 27.806 -3.379 -12.663 1.00 10.00 H new ATOM 0 HD12 ILE B 44 27.434 -2.769 -11.033 1.00 10.00 H new ATOM 0 HD13 ILE B 44 28.533 -4.155 -11.235 1.00 10.00 H new ATOM 1224 N PHE B 45 23.525 -4.881 -8.069 1.00 10.00 N ATOM 1225 CA PHE B 45 22.803 -5.657 -7.048 1.00 10.00 C ATOM 1226 C PHE B 45 21.640 -6.401 -7.707 1.00 10.00 C ATOM 1227 O PHE B 45 20.806 -5.790 -8.371 1.00 10.00 O ATOM 1228 CB PHE B 45 22.285 -4.729 -5.945 1.00 10.00 C ATOM 1229 CG PHE B 45 21.507 -5.516 -4.890 1.00 10.00 C ATOM 1230 CD1 PHE B 45 22.193 -6.281 -3.956 1.00 10.00 C ATOM 1231 CD2 PHE B 45 20.119 -5.478 -4.886 1.00 10.00 C ATOM 1232 CE1 PHE B 45 21.486 -7.013 -3.013 1.00 10.00 C ATOM 1233 CE2 PHE B 45 19.410 -6.204 -3.936 1.00 10.00 C ATOM 1234 CZ PHE B 45 20.095 -6.971 -3.000 1.00 10.00 C ATOM 0 H PHE B 45 22.940 -4.586 -8.851 1.00 10.00 H new ATOM 0 HA PHE B 45 23.482 -6.380 -6.596 1.00 10.00 H new ATOM 0 HB2 PHE B 45 23.122 -4.213 -5.475 1.00 10.00 H new ATOM 0 HB3 PHE B 45 21.643 -3.963 -6.380 1.00 10.00 H new ATOM 0 HD1 PHE B 45 23.273 -6.306 -3.964 1.00 10.00 H new ATOM 0 HD2 PHE B 45 19.592 -4.886 -5.619 1.00 10.00 H new ATOM 0 HE1 PHE B 45 22.015 -7.615 -2.289 1.00 10.00 H new ATOM 0 HE2 PHE B 45 18.331 -6.172 -3.925 1.00 10.00 H new ATOM 0 HZ PHE B 45 19.546 -7.536 -2.261 1.00 10.00 H new ATOM 1244 N ALA B 46 21.697 -7.728 -7.602 1.00 10.00 N ATOM 1245 CA ALA B 46 20.658 -8.639 -8.150 1.00 10.00 C ATOM 1246 C ALA B 46 20.413 -8.408 -9.655 1.00 10.00 C ATOM 1247 O ALA B 46 19.274 -8.311 -10.140 1.00 10.00 O ATOM 1248 CB ALA B 46 19.384 -8.536 -7.290 1.00 10.00 C ATOM 0 H ALA B 46 22.462 -8.216 -7.136 1.00 10.00 H new ATOM 0 HA ALA B 46 21.014 -9.668 -8.089 1.00 10.00 H new ATOM 0 HB1 ALA B 46 18.620 -9.203 -7.690 1.00 10.00 H new ATOM 0 HB2 ALA B 46 19.614 -8.821 -6.263 1.00 10.00 H new ATOM 0 HB3 ALA B 46 19.015 -7.510 -7.308 1.00 10.00 H new ATOM 1254 N GLY B 47 21.514 -8.296 -10.393 1.00 10.00 N ATOM 1255 CA GLY B 47 21.516 -8.084 -11.860 1.00 10.00 C ATOM 1256 C GLY B 47 20.918 -6.735 -12.293 1.00 10.00 C ATOM 1257 O GLY B 47 20.377 -6.608 -13.391 1.00 10.00 O ATOM 0 H GLY B 47 22.451 -8.349 -9.994 1.00 10.00 H new ATOM 0 HA2 GLY B 47 22.541 -8.151 -12.226 1.00 10.00 H new ATOM 0 HA3 GLY B 47 20.955 -8.889 -12.335 1.00 10.00 H new ATOM 1261 N LYS B 48 21.079 -5.735 -11.436 1.00 10.00 N ATOM 1262 CA LYS B 48 20.571 -4.371 -11.664 1.00 10.00 C ATOM 1263 C LYS B 48 21.707 -3.361 -11.476 1.00 10.00 C ATOM 1264 O LYS B 48 22.485 -3.460 -10.532 1.00 10.00 O ATOM 1265 CB LYS B 48 19.459 -4.065 -10.655 1.00 10.00 C ATOM 1266 CG LYS B 48 18.140 -4.758 -11.012 1.00 10.00 C ATOM 1267 CD LYS B 48 17.049 -4.468 -9.975 1.00 10.00 C ATOM 1268 CE LYS B 48 17.187 -5.302 -8.697 1.00 10.00 C ATOM 1269 NZ LYS B 48 16.806 -6.703 -8.933 1.00 10.00 N ATOM 0 H LYS B 48 21.571 -5.841 -10.549 1.00 10.00 H new ATOM 0 HA LYS B 48 20.180 -4.299 -12.679 1.00 10.00 H new ATOM 0 HB2 LYS B 48 19.776 -4.383 -9.662 1.00 10.00 H new ATOM 0 HB3 LYS B 48 19.300 -2.988 -10.610 1.00 10.00 H new ATOM 0 HG2 LYS B 48 17.807 -4.423 -11.994 1.00 10.00 H new ATOM 0 HG3 LYS B 48 18.301 -5.834 -11.080 1.00 10.00 H new ATOM 0 HD2 LYS B 48 17.078 -3.410 -9.714 1.00 10.00 H new ATOM 0 HD3 LYS B 48 16.073 -4.660 -10.422 1.00 10.00 H new ATOM 0 HE2 LYS B 48 18.216 -5.257 -8.340 1.00 10.00 H new ATOM 0 HE3 LYS B 48 16.559 -4.878 -7.913 1.00 10.00 H new ATOM 0 HZ1 LYS B 48 16.531 -7.145 -8.032 1.00 10.00 H new ATOM 0 HZ2 LYS B 48 16.004 -6.738 -9.594 1.00 10.00 H new ATOM 0 HZ3 LYS B 48 17.613 -7.218 -9.339 1.00 10.00 H new ATOM 1283 N GLN B 49 21.810 -2.449 -12.445 1.00 10.00 N ATOM 1284 CA GLN B 49 22.725 -1.300 -12.332 1.00 10.00 C ATOM 1285 C GLN B 49 22.027 -0.207 -11.517 1.00 10.00 C ATOM 1286 O GLN B 49 20.879 0.147 -11.762 1.00 10.00 O ATOM 1287 CB GLN B 49 23.097 -0.739 -13.705 1.00 10.00 C ATOM 1288 CG GLN B 49 23.719 -1.810 -14.604 1.00 10.00 C ATOM 1289 CD GLN B 49 24.462 -1.196 -15.791 1.00 10.00 C ATOM 1290 OE1 GLN B 49 25.190 -0.217 -15.686 1.00 10.00 O ATOM 1291 NE2 GLN B 49 24.341 -1.832 -16.934 1.00 10.00 N ATOM 0 H GLN B 49 21.277 -2.479 -13.314 1.00 10.00 H new ATOM 0 HA GLN B 49 23.642 -1.631 -11.845 1.00 10.00 H new ATOM 0 HB2 GLN B 49 22.207 -0.333 -14.185 1.00 10.00 H new ATOM 0 HB3 GLN B 49 23.799 0.086 -13.583 1.00 10.00 H new ATOM 0 HG2 GLN B 49 24.409 -2.419 -14.020 1.00 10.00 H new ATOM 0 HG3 GLN B 49 22.937 -2.476 -14.970 1.00 10.00 H new ATOM 0 HE21 GLN B 49 23.730 -2.646 -17.003 1.00 10.00 H new ATOM 0 HE22 GLN B 49 24.858 -1.512 -17.753 1.00 10.00 H new ATOM 1300 N LEU B 50 22.757 0.293 -10.523 1.00 10.00 N ATOM 1301 CA LEU B 50 22.191 1.260 -9.575 1.00 10.00 C ATOM 1302 C LEU B 50 22.206 2.679 -10.152 1.00 10.00 C ATOM 1303 O LEU B 50 23.181 3.140 -10.724 1.00 10.00 O ATOM 1304 CB LEU B 50 22.933 1.151 -8.239 1.00 10.00 C ATOM 1305 CG LEU B 50 22.991 -0.287 -7.702 1.00 10.00 C ATOM 1306 CD1 LEU B 50 23.647 -0.296 -6.326 1.00 10.00 C ATOM 1307 CD2 LEU B 50 21.623 -0.979 -7.637 1.00 10.00 C ATOM 0 H LEU B 50 23.733 0.050 -10.350 1.00 10.00 H new ATOM 0 HA LEU B 50 21.142 1.026 -9.395 1.00 10.00 H new ATOM 0 HB2 LEU B 50 23.948 1.529 -8.361 1.00 10.00 H new ATOM 0 HB3 LEU B 50 22.442 1.788 -7.504 1.00 10.00 H new ATOM 0 HG LEU B 50 23.587 -0.859 -8.413 1.00 10.00 H new ATOM 0 HD11 LEU B 50 23.686 -1.318 -5.948 1.00 10.00 H new ATOM 0 HD12 LEU B 50 24.659 0.102 -6.403 1.00 10.00 H new ATOM 0 HD13 LEU B 50 23.065 0.322 -5.642 1.00 10.00 H new ATOM 0 HD21 LEU B 50 21.745 -1.990 -7.248 1.00 10.00 H new ATOM 0 HD22 LEU B 50 20.961 -0.415 -6.980 1.00 10.00 H new ATOM 0 HD23 LEU B 50 21.190 -1.024 -8.636 1.00 10.00 H new ATOM 1319 N GLU B 51 21.069 3.349 -9.965 1.00 10.00 N ATOM 1320 CA GLU B 51 20.813 4.685 -10.507 1.00 10.00 C ATOM 1321 C GLU B 51 20.967 5.745 -9.424 1.00 10.00 C ATOM 1322 O GLU B 51 20.348 5.645 -8.370 1.00 10.00 O ATOM 1323 CB GLU B 51 19.396 4.713 -11.069 1.00 10.00 C ATOM 1324 CG GLU B 51 19.142 3.695 -12.177 1.00 10.00 C ATOM 1325 CD GLU B 51 19.303 4.294 -13.558 1.00 10.00 C ATOM 1326 OE1 GLU B 51 20.446 4.369 -14.049 1.00 10.00 O ATOM 1327 OE2 GLU B 51 18.278 4.669 -14.165 1.00 10.00 O ATOM 0 H GLU B 51 20.289 2.975 -9.425 1.00 10.00 H new ATOM 0 HA GLU B 51 21.535 4.904 -11.294 1.00 10.00 H new ATOM 0 HB2 GLU B 51 18.692 4.533 -10.257 1.00 10.00 H new ATOM 0 HB3 GLU B 51 19.190 5.712 -11.454 1.00 10.00 H new ATOM 0 HG2 GLU B 51 19.832 2.859 -12.064 1.00 10.00 H new ATOM 0 HG3 GLU B 51 18.134 3.293 -12.073 1.00 10.00 H new ATOM 1334 N ASP B 52 21.719 6.790 -9.741 1.00 10.00 N ATOM 1335 CA ASP B 52 22.083 7.837 -8.757 1.00 10.00 C ATOM 1336 C ASP B 52 20.901 8.440 -7.991 1.00 10.00 C ATOM 1337 O ASP B 52 20.953 8.514 -6.757 1.00 10.00 O ATOM 1338 CB ASP B 52 22.875 8.961 -9.435 1.00 10.00 C ATOM 1339 CG ASP B 52 24.302 8.543 -9.793 1.00 10.00 C ATOM 1340 OD1 ASP B 52 24.918 7.847 -8.957 1.00 10.00 O ATOM 1341 OD2 ASP B 52 24.710 8.885 -10.921 1.00 10.00 O ATOM 0 H ASP B 52 22.098 6.948 -10.675 1.00 10.00 H new ATOM 0 HA ASP B 52 22.695 7.323 -8.016 1.00 10.00 H new ATOM 0 HB2 ASP B 52 22.354 9.272 -10.340 1.00 10.00 H new ATOM 0 HB3 ASP B 52 22.909 9.826 -8.773 1.00 10.00 H new ATOM 1346 N GLY B 53 19.833 8.777 -8.748 1.00 10.00 N ATOM 1347 CA GLY B 53 18.617 9.384 -8.194 1.00 10.00 C ATOM 1348 C GLY B 53 17.642 8.410 -7.527 1.00 10.00 C ATOM 1349 O GLY B 53 16.514 8.796 -7.192 1.00 10.00 O ATOM 0 H GLY B 53 19.796 8.633 -9.757 1.00 10.00 H new ATOM 0 HA2 GLY B 53 18.908 10.138 -7.463 1.00 10.00 H new ATOM 0 HA3 GLY B 53 18.093 9.904 -8.996 1.00 10.00 H new ATOM 1353 N ARG B 54 18.046 7.148 -7.378 1.00 10.00 N ATOM 1354 CA ARG B 54 17.226 6.137 -6.693 1.00 10.00 C ATOM 1355 C ARG B 54 17.893 5.795 -5.363 1.00 10.00 C ATOM 1356 O ARG B 54 19.110 5.936 -5.221 1.00 10.00 O ATOM 1357 CB ARG B 54 17.064 4.864 -7.544 1.00 10.00 C ATOM 1358 CG ARG B 54 16.455 5.073 -8.944 1.00 10.00 C ATOM 1359 CD ARG B 54 15.074 5.738 -8.943 1.00 10.00 C ATOM 1360 NE ARG B 54 14.056 4.914 -8.296 1.00 10.00 N ATOM 1361 CZ ARG B 54 12.749 4.927 -8.579 1.00 10.00 C ATOM 1362 NH1 ARG B 54 12.258 5.618 -9.603 1.00 10.00 N ATOM 1363 NH2 ARG B 54 11.918 4.264 -7.797 1.00 10.00 N ATOM 0 H ARG B 54 18.939 6.796 -7.723 1.00 10.00 H new ATOM 0 HA ARG B 54 16.229 6.545 -6.528 1.00 10.00 H new ATOM 0 HB2 ARG B 54 18.043 4.398 -7.659 1.00 10.00 H new ATOM 0 HB3 ARG B 54 16.438 4.160 -6.996 1.00 10.00 H new ATOM 0 HG2 ARG B 54 17.138 5.683 -9.536 1.00 10.00 H new ATOM 0 HG3 ARG B 54 16.378 4.106 -9.441 1.00 10.00 H new ATOM 0 HD2 ARG B 54 15.138 6.699 -8.432 1.00 10.00 H new ATOM 0 HD3 ARG B 54 14.772 5.942 -9.970 1.00 10.00 H new ATOM 0 HE ARG B 54 14.369 4.274 -7.566 1.00 10.00 H new ATOM 0 HH11 ARG B 54 12.884 6.159 -10.200 1.00 10.00 H new ATOM 0 HH12 ARG B 54 11.256 5.607 -9.792 1.00 10.00 H new ATOM 0 HH21 ARG B 54 12.276 3.752 -6.991 1.00 10.00 H new ATOM 0 HH22 ARG B 54 10.918 4.264 -7.999 1.00 10.00 H new ATOM 1377 N THR B 55 17.103 5.330 -4.404 1.00 10.00 N ATOM 1378 CA THR B 55 17.613 4.996 -3.071 1.00 10.00 C ATOM 1379 C THR B 55 17.750 3.486 -2.890 1.00 10.00 C ATOM 1380 O THR B 55 17.284 2.708 -3.717 1.00 10.00 O ATOM 1381 CB THR B 55 16.679 5.516 -1.957 1.00 10.00 C ATOM 1382 OG1 THR B 55 15.388 4.921 -2.104 1.00 10.00 O ATOM 1383 CG2 THR B 55 16.559 7.045 -1.982 1.00 10.00 C ATOM 0 H THR B 55 16.102 5.173 -4.521 1.00 10.00 H new ATOM 0 HA THR B 55 18.589 5.476 -2.993 1.00 10.00 H new ATOM 0 HB THR B 55 17.110 5.237 -0.995 1.00 10.00 H new ATOM 0 HG1 THR B 55 15.202 4.347 -1.331 1.00 10.00 H new ATOM 0 HG21 THR B 55 15.893 7.371 -1.183 1.00 10.00 H new ATOM 0 HG22 THR B 55 17.544 7.490 -1.838 1.00 10.00 H new ATOM 0 HG23 THR B 55 16.155 7.363 -2.943 1.00 10.00 H new ATOM 1391 N LEU B 56 18.402 3.087 -1.796 1.00 10.00 N ATOM 1392 CA LEU B 56 18.607 1.656 -1.484 1.00 10.00 C ATOM 1393 C LEU B 56 17.292 0.881 -1.312 1.00 10.00 C ATOM 1394 O LEU B 56 17.105 -0.190 -1.887 1.00 10.00 O ATOM 1395 CB LEU B 56 19.450 1.491 -0.216 1.00 10.00 C ATOM 1396 CG LEU B 56 20.875 2.024 -0.374 1.00 10.00 C ATOM 1397 CD1 LEU B 56 21.603 1.871 0.956 1.00 10.00 C ATOM 1398 CD2 LEU B 56 21.663 1.280 -1.454 1.00 10.00 C ATOM 0 H LEU B 56 18.799 3.727 -1.108 1.00 10.00 H new ATOM 0 HA LEU B 56 19.131 1.237 -2.343 1.00 10.00 H new ATOM 0 HB2 LEU B 56 18.962 2.011 0.608 1.00 10.00 H new ATOM 0 HB3 LEU B 56 19.490 0.435 0.053 1.00 10.00 H new ATOM 0 HG LEU B 56 20.807 3.069 -0.676 1.00 10.00 H new ATOM 0 HD11 LEU B 56 22.621 2.247 0.859 1.00 10.00 H new ATOM 0 HD12 LEU B 56 21.079 2.438 1.725 1.00 10.00 H new ATOM 0 HD13 LEU B 56 21.630 0.818 1.237 1.00 10.00 H new ATOM 0 HD21 LEU B 56 22.667 1.698 -1.525 1.00 10.00 H new ATOM 0 HD22 LEU B 56 21.727 0.223 -1.195 1.00 10.00 H new ATOM 0 HD23 LEU B 56 21.157 1.388 -2.413 1.00 10.00 H new ATOM 1410 N SER B 57 16.322 1.563 -0.682 1.00 10.00 N ATOM 1411 CA SER B 57 14.974 1.022 -0.461 1.00 10.00 C ATOM 1412 C SER B 57 14.312 0.611 -1.780 1.00 10.00 C ATOM 1413 O SER B 57 13.564 -0.365 -1.825 1.00 10.00 O ATOM 1414 CB SER B 57 14.094 2.060 0.268 1.00 10.00 C ATOM 1415 OG SER B 57 13.852 3.194 -0.543 1.00 10.00 O ATOM 0 H SER B 57 16.452 2.505 -0.312 1.00 10.00 H new ATOM 0 HA SER B 57 15.072 0.132 0.160 1.00 10.00 H new ATOM 0 HB2 SER B 57 13.145 1.602 0.548 1.00 10.00 H new ATOM 0 HB3 SER B 57 14.583 2.369 1.192 1.00 10.00 H new ATOM 0 HG SER B 57 13.430 3.897 -0.006 1.00 10.00 H new ATOM 1421 N ASP B 58 14.585 1.373 -2.847 1.00 10.00 N ATOM 1422 CA ASP B 58 13.993 1.123 -4.175 1.00 10.00 C ATOM 1423 C ASP B 58 14.472 -0.197 -4.790 1.00 10.00 C ATOM 1424 O ASP B 58 13.789 -0.782 -5.635 1.00 10.00 O ATOM 1425 CB ASP B 58 14.317 2.276 -5.130 1.00 10.00 C ATOM 1426 CG ASP B 58 13.510 3.519 -4.854 1.00 10.00 C ATOM 1427 OD1 ASP B 58 12.268 3.422 -4.683 1.00 10.00 O ATOM 1428 OD2 ASP B 58 14.123 4.601 -4.812 1.00 10.00 O ATOM 0 H ASP B 58 15.216 2.174 -2.819 1.00 10.00 H new ATOM 0 HA ASP B 58 12.915 1.052 -4.030 1.00 10.00 H new ATOM 0 HB2 ASP B 58 15.378 2.515 -5.054 1.00 10.00 H new ATOM 0 HB3 ASP B 58 14.135 1.953 -6.155 1.00 10.00 H new ATOM 1433 N TYR B 59 15.653 -0.651 -4.377 1.00 10.00 N ATOM 1434 CA TYR B 59 16.238 -1.902 -4.873 1.00 10.00 C ATOM 1435 C TYR B 59 16.105 -3.028 -3.840 1.00 10.00 C ATOM 1436 O TYR B 59 16.382 -4.198 -4.136 1.00 10.00 O ATOM 1437 CB TYR B 59 17.712 -1.679 -5.191 1.00 10.00 C ATOM 1438 CG TYR B 59 17.962 -0.842 -6.412 1.00 10.00 C ATOM 1439 CD1 TYR B 59 17.844 -1.390 -7.682 1.00 10.00 C ATOM 1440 CD2 TYR B 59 18.372 0.480 -6.298 1.00 10.00 C ATOM 1441 CE1 TYR B 59 18.131 -0.646 -8.809 1.00 10.00 C ATOM 1442 CE2 TYR B 59 18.651 1.234 -7.419 1.00 10.00 C ATOM 1443 CZ TYR B 59 18.536 0.662 -8.671 1.00 10.00 C ATOM 1444 OH TYR B 59 18.838 1.401 -9.785 1.00 10.00 O ATOM 0 H TYR B 59 16.233 -0.167 -3.692 1.00 10.00 H new ATOM 0 HA TYR B 59 15.698 -2.199 -5.772 1.00 10.00 H new ATOM 0 HB2 TYR B 59 18.188 -1.202 -4.334 1.00 10.00 H new ATOM 0 HB3 TYR B 59 18.193 -2.648 -5.324 1.00 10.00 H new ATOM 0 HD1 TYR B 59 17.522 -2.415 -7.790 1.00 10.00 H new ATOM 0 HD2 TYR B 59 18.474 0.924 -5.319 1.00 10.00 H new ATOM 0 HE1 TYR B 59 18.038 -1.087 -9.791 1.00 10.00 H new ATOM 0 HE2 TYR B 59 18.957 2.265 -7.318 1.00 10.00 H new ATOM 0 HH TYR B 59 19.311 0.838 -10.433 1.00 10.00 H new ATOM 1454 N ASN B 60 15.670 -2.656 -2.633 1.00 10.00 N ATOM 1455 CA ASN B 60 15.486 -3.588 -1.507 1.00 10.00 C ATOM 1456 C ASN B 60 16.833 -4.051 -0.913 1.00 10.00 C ATOM 1457 O ASN B 60 16.968 -5.155 -0.382 1.00 10.00 O ATOM 1458 CB ASN B 60 14.593 -4.763 -1.916 1.00 10.00 C ATOM 1459 CG ASN B 60 13.814 -5.350 -0.749 1.00 10.00 C ATOM 1460 OD1 ASN B 60 13.467 -4.649 0.205 1.00 10.00 O ATOM 1461 ND2 ASN B 60 13.546 -6.639 -0.815 1.00 10.00 N ATOM 0 H ASN B 60 15.432 -1.691 -2.403 1.00 10.00 H new ATOM 0 HA ASN B 60 14.974 -3.051 -0.708 1.00 10.00 H new ATOM 0 HB2 ASN B 60 13.893 -4.431 -2.683 1.00 10.00 H new ATOM 0 HB3 ASN B 60 15.210 -5.543 -2.363 1.00 10.00 H new ATOM 0 HD21 ASN B 60 13.033 -7.093 -0.059 1.00 10.00 H new ATOM 0 HD22 ASN B 60 13.851 -7.183 -1.622 1.00 10.00 H new ATOM 1468 N ILE B 61 17.826 -3.185 -1.043 1.00 10.00 N ATOM 1469 CA ILE B 61 19.165 -3.380 -0.450 1.00 10.00 C ATOM 1470 C ILE B 61 19.036 -3.127 1.054 1.00 10.00 C ATOM 1471 O ILE B 61 18.902 -1.990 1.500 1.00 10.00 O ATOM 1472 CB ILE B 61 20.206 -2.455 -1.112 1.00 10.00 C ATOM 1473 CG1 ILE B 61 20.268 -2.761 -2.617 1.00 10.00 C ATOM 1474 CG2 ILE B 61 21.586 -2.588 -0.443 1.00 10.00 C ATOM 1475 CD1 ILE B 61 21.162 -1.835 -3.449 1.00 10.00 C ATOM 0 H ILE B 61 17.737 -2.314 -1.566 1.00 10.00 H new ATOM 0 HA ILE B 61 19.522 -4.395 -0.622 1.00 10.00 H new ATOM 0 HB ILE B 61 19.899 -1.418 -0.977 1.00 10.00 H new ATOM 0 HG12 ILE B 61 20.618 -3.785 -2.746 1.00 10.00 H new ATOM 0 HG13 ILE B 61 19.256 -2.716 -3.020 1.00 10.00 H new ATOM 0 HG21 ILE B 61 22.295 -1.922 -0.935 1.00 10.00 H new ATOM 0 HG22 ILE B 61 21.507 -2.319 0.610 1.00 10.00 H new ATOM 0 HG23 ILE B 61 21.935 -3.617 -0.530 1.00 10.00 H new ATOM 0 HD11 ILE B 61 21.131 -2.142 -4.494 1.00 10.00 H new ATOM 0 HD12 ILE B 61 20.805 -0.809 -3.361 1.00 10.00 H new ATOM 0 HD13 ILE B 61 22.187 -1.894 -3.084 1.00 10.00 H new ATOM 1487 N GLN B 62 19.090 -4.209 1.816 1.00 10.00 N ATOM 1488 CA GLN B 62 18.955 -4.141 3.262 1.00 10.00 C ATOM 1489 C GLN B 62 20.303 -4.361 3.953 1.00 10.00 C ATOM 1490 O GLN B 62 21.348 -4.381 3.302 1.00 10.00 O ATOM 1491 CB GLN B 62 17.932 -5.190 3.722 1.00 10.00 C ATOM 1492 CG GLN B 62 16.543 -5.015 3.105 1.00 10.00 C ATOM 1493 CD GLN B 62 15.494 -5.934 3.722 1.00 10.00 C ATOM 1494 OE1 GLN B 62 15.931 -7.044 4.299 1.00 10.00 O flip ATOM 1495 NE2 GLN B 62 14.300 -5.637 3.697 1.00 10.00 N flip ATOM 0 H GLN B 62 19.228 -5.152 1.452 1.00 10.00 H new ATOM 0 HA GLN B 62 18.605 -3.147 3.539 1.00 10.00 H new ATOM 0 HB2 GLN B 62 18.307 -6.183 3.472 1.00 10.00 H new ATOM 0 HB3 GLN B 62 17.845 -5.146 4.808 1.00 10.00 H new ATOM 0 HG2 GLN B 62 16.226 -3.979 3.226 1.00 10.00 H new ATOM 0 HG3 GLN B 62 16.601 -5.207 2.034 1.00 10.00 H new ATOM 0 HE21 GLN B 62 13.998 -4.774 3.244 1.00 10.00 H new ATOM 0 HE22 GLN B 62 13.612 -6.254 4.129 1.00 10.00 H new ATOM 1504 N LYS B 63 20.273 -4.503 5.276 1.00 10.00 N ATOM 1505 CA LYS B 63 21.507 -4.726 6.053 1.00 10.00 C ATOM 1506 C LYS B 63 22.131 -6.063 5.630 1.00 10.00 C ATOM 1507 O LYS B 63 21.410 -7.004 5.317 1.00 10.00 O ATOM 1508 CB LYS B 63 21.217 -4.717 7.561 1.00 10.00 C ATOM 1509 CG LYS B 63 20.366 -5.895 8.052 1.00 10.00 C ATOM 1510 CD LYS B 63 20.083 -5.749 9.544 1.00 10.00 C ATOM 1511 CE LYS B 63 19.288 -6.947 10.058 1.00 10.00 C ATOM 1512 NZ LYS B 63 18.851 -6.689 11.436 1.00 10.00 N ATOM 0 H LYS B 63 19.421 -4.469 5.835 1.00 10.00 H new ATOM 0 HA LYS B 63 22.208 -3.917 5.849 1.00 10.00 H new ATOM 0 HB2 LYS B 63 22.164 -4.720 8.100 1.00 10.00 H new ATOM 0 HB3 LYS B 63 20.708 -3.787 7.815 1.00 10.00 H new ATOM 0 HG2 LYS B 63 19.428 -5.933 7.498 1.00 10.00 H new ATOM 0 HG3 LYS B 63 20.886 -6.834 7.862 1.00 10.00 H new ATOM 0 HD2 LYS B 63 21.022 -5.666 10.092 1.00 10.00 H new ATOM 0 HD3 LYS B 63 19.526 -4.830 9.726 1.00 10.00 H new ATOM 0 HE2 LYS B 63 18.424 -7.125 9.418 1.00 10.00 H new ATOM 0 HE3 LYS B 63 19.902 -7.847 10.022 1.00 10.00 H new ATOM 0 HZ1 LYS B 63 18.309 -7.505 11.787 1.00 10.00 H new ATOM 0 HZ2 LYS B 63 19.683 -6.539 12.042 1.00 10.00 H new ATOM 0 HZ3 LYS B 63 18.251 -5.840 11.457 1.00 10.00 H new ATOM 1526 N GLU B 64 23.466 -6.059 5.556 1.00 10.00 N ATOM 1527 CA GLU B 64 24.265 -7.262 5.224 1.00 10.00 C ATOM 1528 C GLU B 64 24.220 -7.656 3.735 1.00 10.00 C ATOM 1529 O GLU B 64 24.781 -8.680 3.353 1.00 10.00 O ATOM 1530 CB GLU B 64 23.811 -8.480 6.048 1.00 10.00 C ATOM 1531 CG GLU B 64 24.861 -8.987 7.034 1.00 10.00 C ATOM 1532 CD GLU B 64 25.368 -7.914 8.003 1.00 10.00 C ATOM 1533 OE1 GLU B 64 24.600 -6.982 8.339 1.00 10.00 O ATOM 1534 OE2 GLU B 64 26.551 -8.055 8.377 1.00 10.00 O ATOM 0 H GLU B 64 24.031 -5.226 5.723 1.00 10.00 H new ATOM 0 HA GLU B 64 25.290 -6.983 5.470 1.00 10.00 H new ATOM 0 HB2 GLU B 64 22.907 -8.218 6.598 1.00 10.00 H new ATOM 0 HB3 GLU B 64 23.546 -9.289 5.367 1.00 10.00 H new ATOM 0 HG2 GLU B 64 24.439 -9.812 7.608 1.00 10.00 H new ATOM 0 HG3 GLU B 64 25.707 -9.388 6.476 1.00 10.00 H new ATOM 1541 N SER B 65 23.615 -6.803 2.912 1.00 10.00 N ATOM 1542 CA SER B 65 23.582 -7.025 1.453 1.00 10.00 C ATOM 1543 C SER B 65 24.976 -6.779 0.882 1.00 10.00 C ATOM 1544 O SER B 65 25.726 -5.940 1.362 1.00 10.00 O ATOM 1545 CB SER B 65 22.628 -6.057 0.759 1.00 10.00 C ATOM 1546 OG SER B 65 21.279 -6.308 1.148 1.00 10.00 O ATOM 0 H SER B 65 23.141 -5.954 3.220 1.00 10.00 H new ATOM 0 HA SER B 65 23.246 -8.048 1.281 1.00 10.00 H new ATOM 0 HB2 SER B 65 22.898 -5.031 1.009 1.00 10.00 H new ATOM 0 HB3 SER B 65 22.724 -6.157 -0.322 1.00 10.00 H new ATOM 0 HG SER B 65 21.068 -5.787 1.951 1.00 10.00 H new ATOM 1552 N THR B 66 25.329 -7.597 -0.110 1.00 10.00 N ATOM 1553 CA THR B 66 26.604 -7.396 -0.813 1.00 10.00 C ATOM 1554 C THR B 66 26.329 -7.129 -2.298 1.00 10.00 C ATOM 1555 O THR B 66 25.471 -7.732 -2.923 1.00 10.00 O ATOM 1556 CB THR B 66 27.655 -8.513 -0.601 1.00 10.00 C ATOM 1557 OG1 THR B 66 27.739 -9.379 -1.731 1.00 10.00 O ATOM 1558 CG2 THR B 66 27.428 -9.373 0.650 1.00 10.00 C ATOM 0 H THR B 66 24.771 -8.384 -0.441 1.00 10.00 H new ATOM 0 HA THR B 66 27.074 -6.522 -0.362 1.00 10.00 H new ATOM 0 HB THR B 66 28.590 -7.970 -0.462 1.00 10.00 H new ATOM 0 HG1 THR B 66 28.413 -10.071 -1.564 1.00 10.00 H new ATOM 0 HG21 THR B 66 28.210 -10.129 0.719 1.00 10.00 H new ATOM 0 HG22 THR B 66 27.456 -8.740 1.537 1.00 10.00 H new ATOM 0 HG23 THR B 66 26.456 -9.862 0.584 1.00 10.00 H new ATOM 1566 N LEU B 67 26.989 -6.068 -2.748 1.00 10.00 N ATOM 1567 CA LEU B 67 26.932 -5.566 -4.124 1.00 10.00 C ATOM 1568 C LEU B 67 28.279 -5.881 -4.786 1.00 10.00 C ATOM 1569 O LEU B 67 29.261 -6.219 -4.135 1.00 10.00 O ATOM 1570 CB LEU B 67 26.718 -4.044 -4.092 1.00 10.00 C ATOM 1571 CG LEU B 67 25.311 -3.553 -3.702 1.00 10.00 C ATOM 1572 CD1 LEU B 67 24.842 -3.982 -2.308 1.00 10.00 C ATOM 1573 CD2 LEU B 67 25.318 -2.026 -3.732 1.00 10.00 C ATOM 0 H LEU B 67 27.600 -5.512 -2.149 1.00 10.00 H new ATOM 0 HA LEU B 67 26.116 -6.030 -4.678 1.00 10.00 H new ATOM 0 HB2 LEU B 67 27.435 -3.614 -3.393 1.00 10.00 H new ATOM 0 HB3 LEU B 67 26.957 -3.646 -5.078 1.00 10.00 H new ATOM 0 HG LEU B 67 24.623 -4.004 -4.418 1.00 10.00 H new ATOM 0 HD11 LEU B 67 23.842 -3.589 -2.124 1.00 10.00 H new ATOM 0 HD12 LEU B 67 24.821 -5.070 -2.250 1.00 10.00 H new ATOM 0 HD13 LEU B 67 25.529 -3.592 -1.557 1.00 10.00 H new ATOM 0 HD21 LEU B 67 24.331 -1.652 -3.459 1.00 10.00 H new ATOM 0 HD22 LEU B 67 26.057 -1.652 -3.023 1.00 10.00 H new ATOM 0 HD23 LEU B 67 25.571 -1.683 -4.735 1.00 10.00 H new ATOM 1585 N HIS B 68 28.271 -5.756 -6.109 1.00 10.00 N ATOM 1586 CA HIS B 68 29.495 -5.906 -6.906 1.00 10.00 C ATOM 1587 C HIS B 68 29.826 -4.598 -7.627 1.00 10.00 C ATOM 1588 O HIS B 68 28.950 -3.807 -7.955 1.00 10.00 O ATOM 1589 CB HIS B 68 29.353 -7.059 -7.897 1.00 10.00 C ATOM 1590 CG HIS B 68 29.488 -8.402 -7.177 1.00 10.00 C ATOM 1591 ND1 HIS B 68 28.514 -9.060 -6.554 1.00 10.00 N ATOM 1592 CD2 HIS B 68 30.596 -9.130 -7.104 1.00 10.00 C ATOM 1593 CE1 HIS B 68 29.026 -10.196 -6.088 1.00 10.00 C ATOM 1594 NE2 HIS B 68 30.310 -10.240 -6.435 1.00 10.00 N ATOM 0 H HIS B 68 27.435 -5.552 -6.656 1.00 10.00 H new ATOM 0 HA HIS B 68 30.321 -6.141 -6.235 1.00 10.00 H new ATOM 0 HB2 HIS B 68 28.385 -7.002 -8.395 1.00 10.00 H new ATOM 0 HB3 HIS B 68 30.115 -6.977 -8.672 1.00 10.00 H new ATOM 0 HD1 HIS B 68 27.548 -8.749 -6.452 1.00 10.00 H new ATOM 0 HD2 HIS B 68 31.559 -8.866 -7.516 1.00 10.00 H new ATOM 0 HE1 HIS B 68 28.493 -10.950 -5.527 1.00 10.00 H new ATOM 1603 N LEU B 69 31.134 -4.414 -7.789 1.00 10.00 N ATOM 1604 CA LEU B 69 31.693 -3.241 -8.469 1.00 10.00 C ATOM 1605 C LEU B 69 32.428 -3.681 -9.739 1.00 10.00 C ATOM 1606 O LEU B 69 33.290 -4.549 -9.716 1.00 10.00 O ATOM 1607 CB LEU B 69 32.661 -2.530 -7.510 1.00 10.00 C ATOM 1608 CG LEU B 69 33.401 -1.346 -8.149 1.00 10.00 C ATOM 1609 CD1 LEU B 69 32.438 -0.228 -8.549 1.00 10.00 C ATOM 1610 CD2 LEU B 69 34.468 -0.818 -7.195 1.00 10.00 C ATOM 0 H LEU B 69 31.838 -5.071 -7.454 1.00 10.00 H new ATOM 0 HA LEU B 69 30.894 -2.556 -8.753 1.00 10.00 H new ATOM 0 HB2 LEU B 69 32.104 -2.174 -6.643 1.00 10.00 H new ATOM 0 HB3 LEU B 69 33.393 -3.251 -7.145 1.00 10.00 H new ATOM 0 HG LEU B 69 33.882 -1.704 -9.059 1.00 10.00 H new ATOM 0 HD11 LEU B 69 32.999 0.592 -8.997 1.00 10.00 H new ATOM 0 HD12 LEU B 69 31.716 -0.611 -9.270 1.00 10.00 H new ATOM 0 HD13 LEU B 69 31.912 0.133 -7.665 1.00 10.00 H new ATOM 0 HD21 LEU B 69 34.987 0.021 -7.658 1.00 10.00 H new ATOM 0 HD22 LEU B 69 33.997 -0.488 -6.269 1.00 10.00 H new ATOM 0 HD23 LEU B 69 35.184 -1.610 -6.975 1.00 10.00 H new ATOM 1622 N VAL B 70 32.081 -2.990 -10.849 1.00 10.00 N ATOM 1623 CA VAL B 70 32.752 -3.161 -12.118 1.00 10.00 C ATOM 1624 C VAL B 70 33.413 -1.804 -12.414 1.00 10.00 C ATOM 1625 O VAL B 70 32.798 -0.742 -12.213 1.00 10.00 O ATOM 1626 CB VAL B 70 31.728 -3.552 -13.248 1.00 10.00 C ATOM 1627 CG1 VAL B 70 32.375 -3.529 -14.641 1.00 10.00 C ATOM 1628 CG2 VAL B 70 31.074 -4.909 -12.953 1.00 10.00 C ATOM 0 H VAL B 70 31.327 -2.304 -10.870 1.00 10.00 H new ATOM 0 HA VAL B 70 33.486 -3.967 -12.083 1.00 10.00 H new ATOM 0 HB VAL B 70 30.942 -2.797 -13.252 1.00 10.00 H new ATOM 0 HG11 VAL B 70 31.634 -3.805 -15.391 1.00 10.00 H new ATOM 0 HG12 VAL B 70 32.749 -2.527 -14.852 1.00 10.00 H new ATOM 0 HG13 VAL B 70 33.202 -4.239 -14.670 1.00 10.00 H new ATOM 0 HG21 VAL B 70 30.371 -5.155 -13.749 1.00 10.00 H new ATOM 0 HG22 VAL B 70 31.843 -5.679 -12.897 1.00 10.00 H new ATOM 0 HG23 VAL B 70 30.542 -4.858 -12.003 1.00 10.00 H new ATOM 1638 N LEU B 71 34.651 -1.840 -12.887 1.00 10.00 N ATOM 1639 CA LEU B 71 35.414 -0.627 -13.119 1.00 10.00 C ATOM 1640 C LEU B 71 35.258 -0.165 -14.572 1.00 10.00 C ATOM 1641 O LEU B 71 35.685 -0.856 -15.496 1.00 10.00 O ATOM 1642 CB LEU B 71 36.897 -0.867 -12.786 1.00 10.00 C ATOM 1643 CG LEU B 71 37.563 0.282 -12.043 1.00 10.00 C ATOM 1644 CD1 LEU B 71 37.358 0.096 -10.528 1.00 10.00 C ATOM 1645 CD2 LEU B 71 39.076 0.470 -12.462 1.00 10.00 C ATOM 0 H LEU B 71 35.148 -2.701 -13.118 1.00 10.00 H new ATOM 0 HA LEU B 71 35.031 0.159 -12.468 1.00 10.00 H new ATOM 0 HB2 LEU B 71 36.981 -1.772 -12.184 1.00 10.00 H new ATOM 0 HB3 LEU B 71 37.441 -1.050 -13.713 1.00 10.00 H new ATOM 0 HG LEU B 71 37.085 1.219 -12.328 1.00 10.00 H new ATOM 0 HD11 LEU B 71 37.834 0.918 -9.993 1.00 10.00 H new ATOM 0 HD12 LEU B 71 36.291 0.086 -10.304 1.00 10.00 H new ATOM 0 HD13 LEU B 71 37.803 -0.848 -10.214 1.00 10.00 H new ATOM 0 HD21 LEU B 71 39.507 1.302 -11.905 1.00 10.00 H new ATOM 0 HD22 LEU B 71 39.631 -0.442 -12.241 1.00 10.00 H new ATOM 0 HD23 LEU B 71 39.134 0.680 -13.530 1.00 10.00 H new