USER MOD reduce.3.24.130724 H: found=0, std=0, add=1438, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1440 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: A 19 ASN : amide:sc= 0.281 K(o=-0.073,f=-11!) USER MOD Set 1.2: B 37 ASN : amide:sc= -0.354 K(o=-0.073,f=-5.3!) USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 CYS SG : rot -15:sc= -4.25! USER MOD Set 2.3: B 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: B 28 CYS SG : rot -163:sc= -5.09! USER MOD Set 3.1: A 37 ASN : amide:sc= 0.285 K(o=-0.42,f=-6!) USER MOD Set 3.2: B 19 ASN : amide:sc= 0.36 K(o=-0.42,f=-11!) USER MOD Set 3.3: B 24 MET CE :methyl -156:sc= -1.06 (180deg=-1.7) USER MOD Set 4.1: B 16 THR OG1 : rot 88:sc= 0.00707 USER MOD Set 4.2: B 53 HIS : no HE2:sc= -0.481 K(o=-0.4,f=-2.3!) USER MOD Set 4.3: B 81 GLN : amide:sc= 0.0711 X(o=-0.4,f=-0.49) USER MOD Set 5.1: A 16 THR OG1 : rot 83:sc= -0.0134 USER MOD Set 5.2: A 53 HIS : no HE2:sc= -0.707 K(o=-0.65,f=-2.2!) USER MOD Set 5.3: A 81 GLN : amide:sc= 0.074 X(o=-0.65,f=-0.73) USER MOD Single : A 8 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.015) USER MOD Single : A 10 ASN : amide:sc= -2.29! C(o=-2.3!,f=-2.8!) USER MOD Single : A 20 HIS : no HD1:sc= -2.88! K(o=-2.9!,f=-0.96) USER MOD Single : A 24 MET CE :methyl -142:sc= -1.48 (180deg=-2.2!) USER MOD Single : A 26 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-1.4) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.61 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 49 SER OG : rot 66:sc= 0.142 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0122) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.209 X(o=0.21,f=-0.12) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc=-0.00745 X(o=-0.0074,f=-0.0074) USER MOD Single : A 67 MET CE :methyl -136:sc=-0.00188 (180deg=-1.06) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.32! K(o=-3.3!,f=-1) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0.463 (180deg=0.416) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= -0.0303 (180deg=-0.188) USER MOD Single : A 83 ASN : amide:sc=-0.00439 K(o=-0.0044,f=-2.7!) USER MOD Single : A 84 GLN : amide:sc= -0.804 K(o=-0.8,f=-0.0022) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 88 THR OG1 : rot -79:sc= 0.777 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.753 K(o=-0.75,f=-3!) USER MOD Single : A 92 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00188) USER MOD Single : B 10 ASN : amide:sc= -2.37! C(o=-2.4!,f=-2.8!) USER MOD Single : B 20 HIS : no HD1:sc= -2.8! K(o=-2.8!,f=-0.99) USER MOD Single : B 26 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-1.4) USER MOD Single : B 43 CYS SG : rot 180:sc= -1.53 USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 49 SER OG : rot 65:sc= 0.212 USER MOD Single : B 51 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0034) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 59 ASN : amide:sc= 0.176 X(o=0.18,f=-0.15) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.016) USER MOD Single : B 67 MET CE :methyl -137:sc=-0.00446 (180deg=-1.01) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -3.31! K(o=-3.3!,f=-1.3) USER MOD Single : B 73 LYS NZ :NH3+ -167:sc= 0.545 (180deg=0.451) USER MOD Single : B 79 LYS NZ :NH3+ -169:sc=-0.00866 (180deg=-0.172) USER MOD Single : B 83 ASN : amide:sc=-0.000252 K(o=-0.00025,f=-2.4) USER MOD Single : B 84 GLN : amide:sc= -0.703 K(o=-0.7,f=0) USER MOD Single : B 85 SER OG : rot 180:sc= -0.0228 USER MOD Single : B 88 THR OG1 : rot -81:sc= 0.708 USER MOD Single : B 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 91 ASN : amide:sc= -0.625 K(o=-0.63,f=-3!) USER MOD Single : B 92 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00731) USER MOD ----------------------------------------------------------------- ATOM 97 N HIS A 8 14.737 -2.459 -14.170 1.00 32.10 N ATOM 98 CA HIS A 8 15.333 -1.127 -13.899 1.00 61.12 C ATOM 99 C HIS A 8 14.343 0.006 -14.265 1.00 71.22 C ATOM 100 O HIS A 8 14.576 1.166 -13.928 1.00 61.34 O ATOM 101 CB HIS A 8 16.706 -0.951 -14.621 1.00 62.33 C ATOM 102 CG HIS A 8 16.675 -0.897 -16.133 1.00 40.01 C ATOM 103 ND1 HIS A 8 17.169 -1.906 -16.935 1.00 1.34 N ATOM 104 CD2 HIS A 8 16.269 0.077 -16.987 1.00 13.23 C ATOM 105 CE1 HIS A 8 17.071 -1.553 -18.202 1.00 24.44 C ATOM 106 NE2 HIS A 8 16.528 -0.359 -18.261 1.00 72.20 N ATOM 0 HA HIS A 8 15.529 -1.063 -12.829 1.00 61.12 H new ATOM 0 HB2 HIS A 8 17.167 -0.033 -14.257 1.00 62.33 H new ATOM 0 HB3 HIS A 8 17.356 -1.774 -14.323 1.00 62.33 H new ATOM 0 HD2 HIS A 8 15.824 1.022 -16.713 1.00 13.23 H new ATOM 0 HE1 HIS A 8 17.385 -2.146 -19.048 1.00 24.44 H new ATOM 0 HE2 HIS A 8 16.331 0.160 -19.116 1.00 72.20 H new ATOM 115 N ASP A 9 13.240 -0.342 -14.957 1.00 43.10 N ATOM 116 CA ASP A 9 12.212 0.636 -15.401 1.00 33.53 C ATOM 117 C ASP A 9 11.415 1.183 -14.199 1.00 71.42 C ATOM 118 O ASP A 9 11.038 2.359 -14.175 1.00 32.03 O ATOM 119 CB ASP A 9 11.274 -0.023 -16.447 1.00 20.30 C ATOM 120 CG ASP A 9 10.230 0.926 -17.065 1.00 32.41 C ATOM 121 OD1 ASP A 9 10.626 1.851 -17.798 1.00 65.00 O ATOM 122 OD2 ASP A 9 9.014 0.752 -16.833 1.00 21.24 O ATOM 0 H ASP A 9 13.032 -1.304 -15.226 1.00 43.10 H new ATOM 0 HA ASP A 9 12.712 1.483 -15.871 1.00 33.53 H new ATOM 0 HB2 ASP A 9 11.883 -0.442 -17.248 1.00 20.30 H new ATOM 0 HB3 ASP A 9 10.753 -0.855 -15.974 1.00 20.30 H new ATOM 127 N ASN A 10 11.176 0.319 -13.200 1.00 50.12 N ATOM 128 CA ASN A 10 10.508 0.708 -11.941 1.00 72.10 C ATOM 129 C ASN A 10 11.522 1.334 -10.960 1.00 64.32 C ATOM 130 O ASN A 10 12.739 1.241 -11.158 1.00 44.32 O ATOM 131 CB ASN A 10 9.778 -0.508 -11.291 1.00 24.34 C ATOM 132 CG ASN A 10 10.708 -1.630 -10.801 1.00 11.21 C ATOM 133 OD1 ASN A 10 11.782 -1.867 -11.355 1.00 22.41 O ATOM 134 ND2 ASN A 10 10.282 -2.354 -9.777 1.00 30.22 N ATOM 0 H ASN A 10 11.438 -0.666 -13.238 1.00 50.12 H new ATOM 0 HA ASN A 10 9.753 1.458 -12.176 1.00 72.10 H new ATOM 0 HB2 ASN A 10 9.187 -0.151 -10.448 1.00 24.34 H new ATOM 0 HB3 ASN A 10 9.079 -0.925 -12.016 1.00 24.34 H new ATOM 0 HD21 ASN A 10 10.848 -3.129 -9.430 1.00 30.22 H new ATOM 0 HD22 ASN A 10 9.388 -2.137 -9.336 1.00 30.22 H new ATOM 141 N VAL A 11 11.004 1.988 -9.905 1.00 55.23 N ATOM 142 CA VAL A 11 11.822 2.604 -8.841 1.00 22.35 C ATOM 143 C VAL A 11 11.312 2.137 -7.485 1.00 64.45 C ATOM 144 O VAL A 11 10.132 1.820 -7.332 1.00 53.22 O ATOM 145 CB VAL A 11 11.842 4.188 -8.870 1.00 60.41 C ATOM 146 CG1 VAL A 11 12.409 4.712 -10.200 1.00 54.41 C ATOM 147 CG2 VAL A 11 10.453 4.805 -8.554 1.00 32.13 C ATOM 0 H VAL A 11 10.001 2.105 -9.764 1.00 55.23 H new ATOM 0 HA VAL A 11 12.848 2.281 -9.019 1.00 22.35 H new ATOM 0 HB VAL A 11 12.510 4.512 -8.072 1.00 60.41 H new ATOM 0 HG11 VAL A 11 12.410 5.802 -10.191 1.00 54.41 H new ATOM 0 HG12 VAL A 11 13.429 4.349 -10.329 1.00 54.41 H new ATOM 0 HG13 VAL A 11 11.790 4.357 -11.024 1.00 54.41 H new ATOM 0 HG21 VAL A 11 10.522 5.892 -8.587 1.00 32.13 H new ATOM 0 HG22 VAL A 11 9.727 4.465 -9.293 1.00 32.13 H new ATOM 0 HG23 VAL A 11 10.133 4.492 -7.560 1.00 32.13 H new ATOM 157 N ILE A 12 12.231 2.092 -6.528 1.00 24.44 N ATOM 158 CA ILE A 12 11.964 1.759 -5.136 1.00 11.41 C ATOM 159 C ILE A 12 11.823 3.079 -4.346 1.00 34.11 C ATOM 160 O ILE A 12 12.819 3.669 -3.904 1.00 64.11 O ATOM 161 CB ILE A 12 13.140 0.890 -4.549 1.00 32.14 C ATOM 162 CG1 ILE A 12 13.486 -0.325 -5.481 1.00 74.22 C ATOM 163 CG2 ILE A 12 12.811 0.417 -3.126 1.00 20.52 C ATOM 164 CD1 ILE A 12 12.411 -1.388 -5.607 1.00 11.42 C ATOM 0 H ILE A 12 13.215 2.293 -6.707 1.00 24.44 H new ATOM 0 HA ILE A 12 11.046 1.177 -5.057 1.00 11.41 H new ATOM 0 HB ILE A 12 14.025 1.524 -4.502 1.00 32.14 H new ATOM 0 HG12 ILE A 12 13.710 0.058 -6.477 1.00 74.22 H new ATOM 0 HG13 ILE A 12 14.395 -0.797 -5.108 1.00 74.22 H new ATOM 0 HG21 ILE A 12 13.637 -0.181 -2.741 1.00 20.52 H new ATOM 0 HG22 ILE A 12 12.658 1.282 -2.481 1.00 20.52 H new ATOM 0 HG23 ILE A 12 11.904 -0.187 -3.144 1.00 20.52 H new ATOM 0 HD11 ILE A 12 12.757 -2.178 -6.274 1.00 11.42 H new ATOM 0 HD12 ILE A 12 12.199 -1.809 -4.624 1.00 11.42 H new ATOM 0 HD13 ILE A 12 11.504 -0.941 -6.014 1.00 11.42 H new ATOM 176 N LEU A 13 10.585 3.575 -4.244 1.00 23.03 N ATOM 177 CA LEU A 13 10.293 4.853 -3.578 1.00 41.24 C ATOM 178 C LEU A 13 10.016 4.582 -2.083 1.00 20.52 C ATOM 179 O LEU A 13 8.889 4.270 -1.706 1.00 64.31 O ATOM 180 CB LEU A 13 9.090 5.565 -4.290 1.00 35.34 C ATOM 181 CG LEU A 13 8.967 7.125 -4.109 1.00 51.33 C ATOM 182 CD1 LEU A 13 8.642 7.553 -2.659 1.00 43.34 C ATOM 183 CD2 LEU A 13 10.231 7.839 -4.626 1.00 0.31 C ATOM 0 H LEU A 13 9.760 3.106 -4.618 1.00 23.03 H new ATOM 0 HA LEU A 13 11.146 5.527 -3.648 1.00 41.24 H new ATOM 0 HB2 LEU A 13 9.156 5.353 -5.357 1.00 35.34 H new ATOM 0 HB3 LEU A 13 8.167 5.109 -3.931 1.00 35.34 H new ATOM 0 HG LEU A 13 8.114 7.435 -4.713 1.00 51.33 H new ATOM 0 HD11 LEU A 13 8.572 8.640 -2.607 1.00 43.34 H new ATOM 0 HD12 LEU A 13 7.692 7.113 -2.354 1.00 43.34 H new ATOM 0 HD13 LEU A 13 9.432 7.208 -1.992 1.00 43.34 H new ATOM 0 HD21 LEU A 13 10.122 8.915 -4.490 1.00 0.31 H new ATOM 0 HD22 LEU A 13 11.100 7.489 -4.069 1.00 0.31 H new ATOM 0 HD23 LEU A 13 10.366 7.619 -5.685 1.00 0.31 H new ATOM 195 N GLU A 14 11.062 4.684 -1.249 1.00 2.42 N ATOM 196 CA GLU A 14 10.958 4.448 0.201 1.00 22.40 C ATOM 197 C GLU A 14 10.633 5.763 0.935 1.00 22.40 C ATOM 198 O GLU A 14 11.514 6.586 1.186 1.00 74.10 O ATOM 199 CB GLU A 14 12.282 3.839 0.739 1.00 1.34 C ATOM 200 CG GLU A 14 12.276 3.501 2.252 1.00 44.35 C ATOM 201 CD GLU A 14 13.641 3.030 2.798 1.00 71.22 C ATOM 202 OE1 GLU A 14 14.393 2.345 2.068 1.00 41.04 O ATOM 203 OE2 GLU A 14 13.955 3.311 3.974 1.00 0.31 O ATOM 0 H GLU A 14 12.002 4.932 -1.559 1.00 2.42 H new ATOM 0 HA GLU A 14 10.149 3.741 0.385 1.00 22.40 H new ATOM 0 HB2 GLU A 14 12.501 2.930 0.179 1.00 1.34 H new ATOM 0 HB3 GLU A 14 13.094 4.539 0.541 1.00 1.34 H new ATOM 0 HG2 GLU A 14 11.959 4.383 2.809 1.00 44.35 H new ATOM 0 HG3 GLU A 14 11.535 2.723 2.437 1.00 44.35 H new ATOM 210 N LEU A 15 9.354 5.985 1.252 1.00 41.34 N ATOM 211 CA LEU A 15 8.948 7.131 2.078 1.00 33.23 C ATOM 212 C LEU A 15 8.725 6.661 3.526 1.00 71.32 C ATOM 213 O LEU A 15 7.946 5.742 3.797 1.00 53.23 O ATOM 214 CB LEU A 15 7.728 7.884 1.443 1.00 61.45 C ATOM 215 CG LEU A 15 6.600 7.015 0.783 1.00 61.12 C ATOM 216 CD1 LEU A 15 5.607 6.437 1.802 1.00 51.20 C ATOM 217 CD2 LEU A 15 5.859 7.799 -0.316 1.00 22.22 C ATOM 0 H LEU A 15 8.582 5.390 0.951 1.00 41.34 H new ATOM 0 HA LEU A 15 9.744 7.875 2.110 1.00 33.23 H new ATOM 0 HB2 LEU A 15 7.269 8.495 2.220 1.00 61.45 H new ATOM 0 HB3 LEU A 15 8.112 8.567 0.685 1.00 61.45 H new ATOM 0 HG LEU A 15 7.106 6.165 0.325 1.00 61.12 H new ATOM 0 HD11 LEU A 15 4.853 5.847 1.281 1.00 51.20 H new ATOM 0 HD12 LEU A 15 6.140 5.802 2.509 1.00 51.20 H new ATOM 0 HD13 LEU A 15 5.122 7.252 2.340 1.00 51.20 H new ATOM 0 HD21 LEU A 15 5.084 7.169 -0.753 1.00 22.22 H new ATOM 0 HD22 LEU A 15 5.402 8.689 0.117 1.00 22.22 H new ATOM 0 HD23 LEU A 15 6.566 8.095 -1.091 1.00 22.22 H new ATOM 229 N THR A 16 9.489 7.264 4.437 1.00 70.51 N ATOM 230 CA THR A 16 9.415 7.009 5.867 1.00 10.23 C ATOM 231 C THR A 16 8.359 7.940 6.471 1.00 62.34 C ATOM 232 O THR A 16 8.589 9.137 6.625 1.00 4.14 O ATOM 233 CB THR A 16 10.793 7.270 6.539 1.00 51.44 C ATOM 234 OG1 THR A 16 11.804 6.469 5.905 1.00 24.32 O ATOM 235 CG2 THR A 16 10.754 6.981 8.045 1.00 14.11 C ATOM 0 H THR A 16 10.193 7.960 4.190 1.00 70.51 H new ATOM 0 HA THR A 16 9.144 5.967 6.039 1.00 10.23 H new ATOM 0 HB THR A 16 11.033 8.326 6.414 1.00 51.44 H new ATOM 0 HG1 THR A 16 12.124 6.924 5.098 1.00 24.32 H new ATOM 0 HG21 THR A 16 11.735 7.175 8.478 1.00 14.11 H new ATOM 0 HG22 THR A 16 10.014 7.625 8.520 1.00 14.11 H new ATOM 0 HG23 THR A 16 10.485 5.937 8.208 1.00 14.11 H new ATOM 243 N VAL A 17 7.188 7.383 6.756 1.00 62.00 N ATOM 244 CA VAL A 17 6.054 8.131 7.305 1.00 45.12 C ATOM 245 C VAL A 17 5.739 7.640 8.716 1.00 15.13 C ATOM 246 O VAL A 17 6.020 6.491 9.051 1.00 42.41 O ATOM 247 CB VAL A 17 4.782 7.988 6.402 1.00 72.11 C ATOM 248 CG1 VAL A 17 5.123 8.240 4.918 1.00 62.52 C ATOM 249 CG2 VAL A 17 4.053 6.630 6.596 1.00 43.41 C ATOM 0 H VAL A 17 6.993 6.392 6.613 1.00 62.00 H new ATOM 0 HA VAL A 17 6.333 9.184 7.336 1.00 45.12 H new ATOM 0 HB VAL A 17 4.082 8.758 6.725 1.00 72.11 H new ATOM 0 HG11 VAL A 17 4.222 8.134 4.314 1.00 62.52 H new ATOM 0 HG12 VAL A 17 5.521 9.248 4.802 1.00 62.52 H new ATOM 0 HG13 VAL A 17 5.868 7.516 4.588 1.00 62.52 H new ATOM 0 HG21 VAL A 17 3.180 6.589 5.944 1.00 43.41 H new ATOM 0 HG22 VAL A 17 4.731 5.814 6.346 1.00 43.41 H new ATOM 0 HG23 VAL A 17 3.736 6.533 7.634 1.00 43.41 H new ATOM 259 N ARG A 18 5.185 8.517 9.549 1.00 50.04 N ATOM 260 CA ARG A 18 4.579 8.101 10.823 1.00 33.34 C ATOM 261 C ARG A 18 3.053 8.049 10.654 1.00 23.41 C ATOM 262 O ARG A 18 2.498 8.785 9.821 1.00 32.32 O ATOM 263 CB ARG A 18 5.025 9.008 11.994 1.00 1.30 C ATOM 264 CG ARG A 18 4.740 10.507 11.847 1.00 45.41 C ATOM 265 CD ARG A 18 5.115 11.294 13.120 1.00 24.42 C ATOM 266 NE ARG A 18 4.451 10.743 14.322 1.00 33.31 N ATOM 267 CZ ARG A 18 4.018 11.450 15.377 1.00 15.35 C ATOM 268 NH1 ARG A 18 4.155 12.772 15.432 1.00 42.13 N ATOM 269 NH2 ARG A 18 3.474 10.810 16.401 1.00 3.53 N ATOM 0 H ARG A 18 5.140 9.520 9.370 1.00 50.04 H new ATOM 0 HA ARG A 18 4.929 7.103 11.085 1.00 33.34 H new ATOM 0 HB2 ARG A 18 4.537 8.656 12.903 1.00 1.30 H new ATOM 0 HB3 ARG A 18 6.098 8.877 12.137 1.00 1.30 H new ATOM 0 HG2 ARG A 18 5.300 10.901 10.999 1.00 45.41 H new ATOM 0 HG3 ARG A 18 3.683 10.655 11.627 1.00 45.41 H new ATOM 0 HD2 ARG A 18 6.196 11.268 13.258 1.00 24.42 H new ATOM 0 HD3 ARG A 18 4.834 12.340 12.997 1.00 24.42 H new ATOM 0 HE ARG A 18 4.309 9.733 14.351 1.00 33.31 H new ATOM 0 HH11 ARG A 18 4.598 13.271 14.661 1.00 42.13 H new ATOM 0 HH12 ARG A 18 3.817 13.286 16.246 1.00 42.13 H new ATOM 0 HH21 ARG A 18 3.389 9.794 16.380 1.00 3.53 H new ATOM 0 HH22 ARG A 18 3.140 11.333 17.210 1.00 3.53 H new ATOM 283 N ASN A 19 2.393 7.169 11.441 1.00 30.53 N ATOM 284 CA ASN A 19 0.979 6.790 11.240 1.00 41.04 C ATOM 285 C ASN A 19 0.042 7.981 11.563 1.00 33.43 C ATOM 286 O ASN A 19 -0.333 8.222 12.713 1.00 54.40 O ATOM 287 CB ASN A 19 0.634 5.499 12.065 1.00 40.23 C ATOM 288 CG ASN A 19 -0.700 4.821 11.656 1.00 63.31 C ATOM 289 OD1 ASN A 19 -1.685 5.481 11.337 1.00 64.52 O ATOM 290 ND2 ASN A 19 -0.728 3.490 11.626 1.00 24.53 N ATOM 0 H ASN A 19 2.829 6.701 12.236 1.00 30.53 H new ATOM 0 HA ASN A 19 0.819 6.545 10.190 1.00 41.04 H new ATOM 0 HB2 ASN A 19 1.445 4.780 11.949 1.00 40.23 H new ATOM 0 HB3 ASN A 19 0.587 5.759 13.123 1.00 40.23 H new ATOM 0 HD21 ASN A 19 -1.576 3.004 11.335 1.00 24.53 H new ATOM 0 HD22 ASN A 19 0.099 2.956 11.894 1.00 24.53 H new ATOM 297 N HIS A 20 -0.208 8.768 10.506 1.00 25.51 N ATOM 298 CA HIS A 20 -1.171 9.896 10.471 1.00 20.32 C ATOM 299 C HIS A 20 -2.475 9.473 9.750 1.00 14.44 C ATOM 300 O HIS A 20 -2.475 8.462 9.036 1.00 21.01 O ATOM 301 CB HIS A 20 -0.528 11.116 9.740 1.00 43.53 C ATOM 302 CG HIS A 20 0.371 11.945 10.599 1.00 73.34 C ATOM 303 ND1 HIS A 20 -0.069 13.043 11.298 1.00 35.01 N ATOM 304 CD2 HIS A 20 1.688 11.843 10.863 1.00 43.55 C ATOM 305 CE1 HIS A 20 0.938 13.580 11.948 1.00 54.14 C ATOM 306 NE2 HIS A 20 2.018 12.871 11.701 1.00 3.42 N ATOM 0 H HIS A 20 0.270 8.637 9.614 1.00 25.51 H new ATOM 0 HA HIS A 20 -1.417 10.179 11.494 1.00 20.32 H new ATOM 0 HB2 HIS A 20 0.041 10.753 8.884 1.00 43.53 H new ATOM 0 HB3 HIS A 20 -1.323 11.750 9.349 1.00 43.53 H new ATOM 0 HD2 HIS A 20 2.360 11.088 10.482 1.00 43.55 H new ATOM 0 HE1 HIS A 20 0.888 14.455 12.578 1.00 54.14 H new ATOM 0 HE2 HIS A 20 2.949 13.058 12.074 1.00 3.42 H new ATOM 315 N PRO A 21 -3.613 10.230 9.949 1.00 34.15 N ATOM 316 CA PRO A 21 -4.889 9.982 9.229 1.00 2.22 C ATOM 317 C PRO A 21 -4.732 9.920 7.686 1.00 13.11 C ATOM 318 O PRO A 21 -4.529 10.949 7.026 1.00 2.10 O ATOM 319 CB PRO A 21 -5.793 11.159 9.672 1.00 45.44 C ATOM 320 CG PRO A 21 -5.262 11.557 11.016 1.00 61.24 C ATOM 321 CD PRO A 21 -3.766 11.344 10.937 1.00 53.10 C ATOM 0 HA PRO A 21 -5.304 9.004 9.475 1.00 2.22 H new ATOM 0 HB2 PRO A 21 -5.742 11.987 8.964 1.00 45.44 H new ATOM 0 HB3 PRO A 21 -6.838 10.855 9.732 1.00 45.44 H new ATOM 0 HG2 PRO A 21 -5.499 12.597 11.240 1.00 61.24 H new ATOM 0 HG3 PRO A 21 -5.704 10.952 11.808 1.00 61.24 H new ATOM 0 HD2 PRO A 21 -3.251 12.246 10.605 1.00 53.10 H new ATOM 0 HD3 PRO A 21 -3.349 11.077 11.908 1.00 53.10 H new ATOM 329 N GLY A 22 -4.754 8.685 7.154 1.00 14.33 N ATOM 330 CA GLY A 22 -4.843 8.431 5.717 1.00 11.11 C ATOM 331 C GLY A 22 -3.558 8.700 4.943 1.00 33.22 C ATOM 332 O GLY A 22 -3.617 9.222 3.831 1.00 75.24 O ATOM 0 H GLY A 22 -4.710 7.836 7.717 1.00 14.33 H new ATOM 0 HA2 GLY A 22 -5.134 7.392 5.563 1.00 11.11 H new ATOM 0 HA3 GLY A 22 -5.638 9.049 5.301 1.00 11.11 H new ATOM 336 N VAL A 23 -2.390 8.318 5.512 1.00 44.11 N ATOM 337 CA VAL A 23 -1.085 8.507 4.826 1.00 33.51 C ATOM 338 C VAL A 23 -1.020 7.670 3.534 1.00 74.20 C ATOM 339 O VAL A 23 -0.567 8.146 2.495 1.00 44.22 O ATOM 340 CB VAL A 23 0.158 8.112 5.698 1.00 43.13 C ATOM 341 CG1 VAL A 23 1.452 8.584 5.012 1.00 71.20 C ATOM 342 CG2 VAL A 23 0.074 8.665 7.126 1.00 42.03 C ATOM 0 H VAL A 23 -2.322 7.883 6.432 1.00 44.11 H new ATOM 0 HA VAL A 23 -1.035 9.576 4.619 1.00 33.51 H new ATOM 0 HB VAL A 23 0.165 7.025 5.781 1.00 43.13 H new ATOM 0 HG11 VAL A 23 2.310 8.306 5.624 1.00 71.20 H new ATOM 0 HG12 VAL A 23 1.537 8.114 4.032 1.00 71.20 H new ATOM 0 HG13 VAL A 23 1.427 9.667 4.893 1.00 71.20 H new ATOM 0 HG21 VAL A 23 0.959 8.362 7.686 1.00 42.03 H new ATOM 0 HG22 VAL A 23 0.021 9.753 7.092 1.00 42.03 H new ATOM 0 HG23 VAL A 23 -0.817 8.273 7.616 1.00 42.03 H new ATOM 352 N MET A 24 -1.481 6.417 3.635 1.00 72.12 N ATOM 353 CA MET A 24 -1.560 5.490 2.495 1.00 20.43 C ATOM 354 C MET A 24 -2.460 6.063 1.369 1.00 14.32 C ATOM 355 O MET A 24 -2.233 5.791 0.183 1.00 13.21 O ATOM 356 CB MET A 24 -2.045 4.088 2.967 1.00 73.33 C ATOM 357 CG MET A 24 -3.439 4.045 3.621 1.00 61.35 C ATOM 358 SD MET A 24 -3.560 4.935 5.190 1.00 63.43 S ATOM 359 CE MET A 24 -5.289 4.679 5.612 1.00 34.21 C ATOM 0 H MET A 24 -1.811 6.015 4.512 1.00 72.12 H new ATOM 0 HA MET A 24 -0.561 5.372 2.075 1.00 20.43 H new ATOM 0 HB2 MET A 24 -2.047 3.417 2.108 1.00 73.33 H new ATOM 0 HB3 MET A 24 -1.319 3.694 3.678 1.00 73.33 H new ATOM 0 HG2 MET A 24 -4.166 4.462 2.924 1.00 61.35 H new ATOM 0 HG3 MET A 24 -3.717 3.004 3.786 1.00 61.35 H new ATOM 0 HE1 MET A 24 -5.691 5.586 6.064 1.00 34.21 H new ATOM 0 HE2 MET A 24 -5.853 4.443 4.709 1.00 34.21 H new ATOM 0 HE3 MET A 24 -5.373 3.853 6.319 1.00 34.21 H new ATOM 369 N THR A 25 -3.453 6.890 1.761 1.00 13.43 N ATOM 370 CA THR A 25 -4.348 7.592 0.823 1.00 14.41 C ATOM 371 C THR A 25 -3.611 8.781 0.140 1.00 4.04 C ATOM 372 O THR A 25 -3.862 9.090 -1.036 1.00 51.35 O ATOM 373 CB THR A 25 -5.647 8.077 1.561 1.00 64.20 C ATOM 374 OG1 THR A 25 -6.095 7.046 2.470 1.00 75.44 O ATOM 375 CG2 THR A 25 -6.791 8.408 0.577 1.00 21.25 C ATOM 0 H THR A 25 -3.655 7.088 2.741 1.00 13.43 H new ATOM 0 HA THR A 25 -4.645 6.893 0.041 1.00 14.41 H new ATOM 0 HB THR A 25 -5.395 8.990 2.101 1.00 64.20 H new ATOM 0 HG1 THR A 25 -6.905 7.347 2.933 1.00 75.44 H new ATOM 0 HG21 THR A 25 -7.667 8.739 1.135 1.00 21.25 H new ATOM 0 HG22 THR A 25 -6.471 9.201 -0.099 1.00 21.25 H new ATOM 0 HG23 THR A 25 -7.043 7.518 -0.000 1.00 21.25 H new ATOM 383 N HIS A 26 -2.672 9.416 0.884 1.00 1.32 N ATOM 384 CA HIS A 26 -1.826 10.513 0.354 1.00 21.53 C ATOM 385 C HIS A 26 -0.889 9.977 -0.739 1.00 35.43 C ATOM 386 O HIS A 26 -0.897 10.465 -1.873 1.00 31.44 O ATOM 387 CB HIS A 26 -0.962 11.171 1.473 1.00 62.12 C ATOM 388 CG HIS A 26 -1.720 11.866 2.571 1.00 40.20 C ATOM 389 ND1 HIS A 26 -1.091 12.559 3.578 1.00 34.12 N ATOM 390 CD2 HIS A 26 -3.044 11.970 2.830 1.00 1.52 C ATOM 391 CE1 HIS A 26 -1.990 13.051 4.402 1.00 50.14 C ATOM 392 NE2 HIS A 26 -3.176 12.706 3.973 1.00 10.24 N ATOM 0 H HIS A 26 -2.481 9.185 1.859 1.00 1.32 H new ATOM 0 HA HIS A 26 -2.497 11.267 -0.057 1.00 21.53 H new ATOM 0 HB2 HIS A 26 -0.337 10.399 1.923 1.00 62.12 H new ATOM 0 HB3 HIS A 26 -0.291 11.894 1.008 1.00 62.12 H new ATOM 0 HD2 HIS A 26 -3.847 11.549 2.242 1.00 1.52 H new ATOM 0 HE1 HIS A 26 -1.784 13.640 5.283 1.00 50.14 H new ATOM 0 HE2 HIS A 26 -4.060 12.948 4.421 1.00 10.24 H new ATOM 401 N VAL A 27 -0.114 8.935 -0.374 1.00 54.31 N ATOM 402 CA VAL A 27 0.956 8.391 -1.223 1.00 31.15 C ATOM 403 C VAL A 27 0.379 7.823 -2.539 1.00 24.21 C ATOM 404 O VAL A 27 0.896 8.109 -3.627 1.00 73.01 O ATOM 405 CB VAL A 27 1.837 7.319 -0.454 1.00 12.45 C ATOM 406 CG1 VAL A 27 2.334 7.888 0.896 1.00 51.01 C ATOM 407 CG2 VAL A 27 1.111 5.967 -0.242 1.00 63.44 C ATOM 0 H VAL A 27 -0.215 8.450 0.518 1.00 54.31 H new ATOM 0 HA VAL A 27 1.623 9.214 -1.480 1.00 31.15 H new ATOM 0 HB VAL A 27 2.694 7.111 -1.094 1.00 12.45 H new ATOM 0 HG11 VAL A 27 2.936 7.137 1.408 1.00 51.01 H new ATOM 0 HG12 VAL A 27 2.939 8.777 0.716 1.00 51.01 H new ATOM 0 HG13 VAL A 27 1.478 8.151 1.517 1.00 51.01 H new ATOM 0 HG21 VAL A 27 1.769 5.280 0.290 1.00 63.44 H new ATOM 0 HG22 VAL A 27 0.206 6.128 0.343 1.00 63.44 H new ATOM 0 HG23 VAL A 27 0.846 5.540 -1.210 1.00 63.44 H new ATOM 417 N CYS A 28 -0.762 7.104 -2.437 1.00 13.42 N ATOM 418 CA CYS A 28 -1.423 6.507 -3.605 1.00 30.14 C ATOM 419 C CYS A 28 -1.959 7.605 -4.535 1.00 31.14 C ATOM 420 O CYS A 28 -1.896 7.464 -5.755 1.00 20.13 O ATOM 421 CB CYS A 28 -2.561 5.583 -3.155 1.00 30.44 C ATOM 422 SG CYS A 28 -3.891 6.425 -2.295 1.00 0.54 S ATOM 0 H CYS A 28 -1.240 6.927 -1.553 1.00 13.42 H new ATOM 0 HA CYS A 28 -0.692 5.915 -4.156 1.00 30.14 H new ATOM 0 HB2 CYS A 28 -2.971 5.077 -4.029 1.00 30.44 H new ATOM 0 HB3 CYS A 28 -2.152 4.812 -2.503 1.00 30.44 H new ATOM 0 HG CYS A 28 -3.496 7.611 -1.940 1.00 0.54 H new ATOM 428 N GLY A 29 -2.443 8.714 -3.927 1.00 72.24 N ATOM 429 CA GLY A 29 -2.883 9.896 -4.675 1.00 53.21 C ATOM 430 C GLY A 29 -1.749 10.578 -5.449 1.00 11.45 C ATOM 431 O GLY A 29 -1.978 11.113 -6.531 1.00 55.12 O ATOM 0 H GLY A 29 -2.535 8.806 -2.915 1.00 72.24 H new ATOM 0 HA2 GLY A 29 -3.667 9.605 -5.374 1.00 53.21 H new ATOM 0 HA3 GLY A 29 -3.324 10.613 -3.982 1.00 53.21 H new ATOM 435 N LEU A 30 -0.520 10.531 -4.889 1.00 20.24 N ATOM 436 CA LEU A 30 0.685 11.142 -5.507 1.00 44.00 C ATOM 437 C LEU A 30 1.097 10.423 -6.811 1.00 24.13 C ATOM 438 O LEU A 30 1.449 11.075 -7.801 1.00 14.30 O ATOM 439 CB LEU A 30 1.876 11.184 -4.492 1.00 73.12 C ATOM 440 CG LEU A 30 2.097 12.544 -3.754 1.00 53.53 C ATOM 441 CD1 LEU A 30 2.425 13.671 -4.750 1.00 4.42 C ATOM 442 CD2 LEU A 30 0.902 12.932 -2.854 1.00 54.35 C ATOM 0 H LEU A 30 -0.332 10.071 -3.998 1.00 20.24 H new ATOM 0 HA LEU A 30 0.424 12.166 -5.773 1.00 44.00 H new ATOM 0 HB2 LEU A 30 1.717 10.408 -3.743 1.00 73.12 H new ATOM 0 HB3 LEU A 30 2.792 10.929 -5.026 1.00 73.12 H new ATOM 0 HG LEU A 30 2.956 12.406 -3.097 1.00 53.53 H new ATOM 0 HD11 LEU A 30 2.573 14.605 -4.207 1.00 4.42 H new ATOM 0 HD12 LEU A 30 3.334 13.420 -5.296 1.00 4.42 H new ATOM 0 HD13 LEU A 30 1.600 13.787 -5.453 1.00 4.42 H new ATOM 0 HD21 LEU A 30 1.109 13.884 -2.366 1.00 54.35 H new ATOM 0 HD22 LEU A 30 0.003 13.024 -3.463 1.00 54.35 H new ATOM 0 HD23 LEU A 30 0.751 12.162 -2.098 1.00 54.35 H new ATOM 454 N PHE A 31 1.068 9.082 -6.796 1.00 31.45 N ATOM 455 CA PHE A 31 1.448 8.273 -7.984 1.00 41.24 C ATOM 456 C PHE A 31 0.296 8.195 -9.007 1.00 54.04 C ATOM 457 O PHE A 31 0.534 8.203 -10.223 1.00 25.13 O ATOM 458 CB PHE A 31 1.923 6.864 -7.540 1.00 50.34 C ATOM 459 CG PHE A 31 3.139 6.935 -6.607 1.00 74.01 C ATOM 460 CD1 PHE A 31 4.413 7.197 -7.110 1.00 33.12 C ATOM 461 CD2 PHE A 31 3.000 6.804 -5.231 1.00 11.44 C ATOM 462 CE1 PHE A 31 5.504 7.311 -6.265 1.00 74.34 C ATOM 463 CE2 PHE A 31 4.087 6.928 -4.387 1.00 75.20 C ATOM 464 CZ PHE A 31 5.337 7.180 -4.904 1.00 43.53 C ATOM 0 H PHE A 31 0.789 8.530 -5.985 1.00 31.45 H new ATOM 0 HA PHE A 31 2.279 8.767 -8.488 1.00 41.24 H new ATOM 0 HB2 PHE A 31 1.107 6.349 -7.033 1.00 50.34 H new ATOM 0 HB3 PHE A 31 2.175 6.272 -8.420 1.00 50.34 H new ATOM 0 HD1 PHE A 31 4.551 7.313 -8.175 1.00 33.12 H new ATOM 0 HD2 PHE A 31 2.025 6.602 -4.813 1.00 11.44 H new ATOM 0 HE1 PHE A 31 6.486 7.503 -6.673 1.00 74.34 H new ATOM 0 HE2 PHE A 31 3.955 6.827 -3.320 1.00 75.20 H new ATOM 0 HZ PHE A 31 6.186 7.275 -4.243 1.00 43.53 H new ATOM 474 N ALA A 32 -0.950 8.181 -8.496 1.00 61.43 N ATOM 475 CA ALA A 32 -2.171 8.078 -9.327 1.00 40.44 C ATOM 476 C ALA A 32 -2.416 9.353 -10.160 1.00 25.51 C ATOM 477 O ALA A 32 -2.898 9.272 -11.296 1.00 62.23 O ATOM 478 CB ALA A 32 -3.393 7.788 -8.436 1.00 34.43 C ATOM 0 H ALA A 32 -1.141 8.241 -7.496 1.00 61.43 H new ATOM 0 HA ALA A 32 -2.022 7.254 -10.025 1.00 40.44 H new ATOM 0 HB1 ALA A 32 -4.286 7.714 -9.056 1.00 34.43 H new ATOM 0 HB2 ALA A 32 -3.241 6.848 -7.905 1.00 34.43 H new ATOM 0 HB3 ALA A 32 -3.518 8.596 -7.715 1.00 34.43 H new ATOM 484 N ARG A 33 -2.059 10.524 -9.587 1.00 35.31 N ATOM 485 CA ARG A 33 -2.332 11.851 -10.201 1.00 35.22 C ATOM 486 C ARG A 33 -1.449 12.109 -11.431 1.00 45.35 C ATOM 487 O ARG A 33 -1.726 13.029 -12.211 1.00 1.23 O ATOM 488 CB ARG A 33 -2.133 12.981 -9.155 1.00 64.25 C ATOM 489 CG ARG A 33 -0.657 13.289 -8.800 1.00 24.52 C ATOM 490 CD ARG A 33 -0.508 14.061 -7.483 1.00 4.00 C ATOM 491 NE ARG A 33 -1.307 15.295 -7.460 1.00 72.52 N ATOM 492 CZ ARG A 33 -2.088 15.692 -6.437 1.00 10.44 C ATOM 493 NH1 ARG A 33 -2.186 14.950 -5.330 1.00 62.21 N ATOM 494 NH2 ARG A 33 -2.765 16.827 -6.533 1.00 53.40 N ATOM 0 H ARG A 33 -1.576 10.580 -8.690 1.00 35.31 H new ATOM 0 HA ARG A 33 -3.369 11.847 -10.535 1.00 35.22 H new ATOM 0 HB2 ARG A 33 -2.598 13.892 -9.533 1.00 64.25 H new ATOM 0 HB3 ARG A 33 -2.662 12.708 -8.242 1.00 64.25 H new ATOM 0 HG2 ARG A 33 -0.102 12.353 -8.731 1.00 24.52 H new ATOM 0 HG3 ARG A 33 -0.208 13.867 -9.607 1.00 24.52 H new ATOM 0 HD2 ARG A 33 -0.810 13.421 -6.654 1.00 4.00 H new ATOM 0 HD3 ARG A 33 0.542 14.309 -7.328 1.00 4.00 H new ATOM 0 HE ARG A 33 -1.267 15.897 -8.282 1.00 72.52 H new ATOM 0 HH11 ARG A 33 -1.667 14.075 -5.255 1.00 62.21 H new ATOM 0 HH12 ARG A 33 -2.780 15.258 -4.560 1.00 62.21 H new ATOM 0 HH21 ARG A 33 -2.693 17.394 -7.378 1.00 53.40 H new ATOM 0 HH22 ARG A 33 -3.358 17.134 -5.762 1.00 53.40 H new ATOM 508 N ARG A 34 -0.372 11.312 -11.578 1.00 1.11 N ATOM 509 CA ARG A 34 0.516 11.397 -12.735 1.00 43.15 C ATOM 510 C ARG A 34 -0.200 10.844 -13.981 1.00 64.13 C ATOM 511 O ARG A 34 -0.584 11.614 -14.867 1.00 11.02 O ATOM 512 CB ARG A 34 1.867 10.648 -12.473 1.00 54.24 C ATOM 513 CG ARG A 34 2.782 10.532 -13.722 1.00 3.03 C ATOM 514 CD ARG A 34 3.097 11.897 -14.382 1.00 73.12 C ATOM 515 NE ARG A 34 3.549 11.729 -15.774 1.00 54.11 N ATOM 516 CZ ARG A 34 3.113 12.442 -16.830 1.00 42.13 C ATOM 517 NH1 ARG A 34 2.193 13.389 -16.682 1.00 42.25 N ATOM 518 NH2 ARG A 34 3.632 12.220 -18.028 1.00 62.44 N ATOM 0 H ARG A 34 -0.102 10.600 -10.900 1.00 1.11 H new ATOM 0 HA ARG A 34 0.762 12.444 -12.910 1.00 43.15 H new ATOM 0 HB2 ARG A 34 2.411 11.168 -11.685 1.00 54.24 H new ATOM 0 HB3 ARG A 34 1.649 9.647 -12.102 1.00 54.24 H new ATOM 0 HG2 ARG A 34 3.717 10.051 -13.435 1.00 3.03 H new ATOM 0 HG3 ARG A 34 2.303 9.884 -14.456 1.00 3.03 H new ATOM 0 HD2 ARG A 34 2.208 12.527 -14.360 1.00 73.12 H new ATOM 0 HD3 ARG A 34 3.867 12.412 -13.807 1.00 73.12 H new ATOM 0 HE ARG A 34 4.252 11.012 -15.953 1.00 54.11 H new ATOM 0 HH11 ARG A 34 1.807 13.585 -15.759 1.00 42.25 H new ATOM 0 HH12 ARG A 34 1.873 13.920 -17.492 1.00 42.25 H new ATOM 0 HH21 ARG A 34 4.357 11.513 -18.146 1.00 62.44 H new ATOM 0 HH22 ARG A 34 3.306 12.756 -18.832 1.00 62.44 H new ATOM 532 N ALA A 35 -0.405 9.518 -14.007 1.00 21.44 N ATOM 533 CA ALA A 35 -0.920 8.805 -15.191 1.00 24.13 C ATOM 534 C ALA A 35 -1.053 7.312 -14.887 1.00 65.00 C ATOM 535 O ALA A 35 -2.142 6.735 -14.996 1.00 53.22 O ATOM 536 CB ALA A 35 0.004 9.009 -16.417 1.00 20.05 C ATOM 0 H ALA A 35 -0.219 8.909 -13.210 1.00 21.44 H new ATOM 0 HA ALA A 35 -1.900 9.217 -15.431 1.00 24.13 H new ATOM 0 HB1 ALA A 35 -0.403 8.471 -17.273 1.00 20.05 H new ATOM 0 HB2 ALA A 35 0.067 10.071 -16.653 1.00 20.05 H new ATOM 0 HB3 ALA A 35 1.000 8.628 -16.189 1.00 20.05 H new ATOM 542 N PHE A 36 0.078 6.694 -14.501 1.00 34.00 N ATOM 543 CA PHE A 36 0.164 5.240 -14.272 1.00 33.40 C ATOM 544 C PHE A 36 0.011 4.925 -12.766 1.00 30.44 C ATOM 545 O PHE A 36 0.207 5.795 -11.910 1.00 41.43 O ATOM 546 CB PHE A 36 1.511 4.685 -14.839 1.00 31.42 C ATOM 547 CG PHE A 36 1.558 3.153 -14.950 1.00 42.13 C ATOM 548 CD1 PHE A 36 0.835 2.490 -15.943 1.00 63.24 C ATOM 549 CD2 PHE A 36 2.286 2.375 -14.047 1.00 24.44 C ATOM 550 CE1 PHE A 36 0.841 1.107 -16.031 1.00 34.52 C ATOM 551 CE2 PHE A 36 2.285 0.992 -14.131 1.00 53.31 C ATOM 552 CZ PHE A 36 1.565 0.360 -15.125 1.00 24.04 C ATOM 0 H PHE A 36 0.956 7.187 -14.339 1.00 34.00 H new ATOM 0 HA PHE A 36 -0.651 4.745 -14.800 1.00 33.40 H new ATOM 0 HB2 PHE A 36 1.683 5.116 -15.825 1.00 31.42 H new ATOM 0 HB3 PHE A 36 2.328 5.018 -14.198 1.00 31.42 H new ATOM 0 HD1 PHE A 36 0.261 3.065 -16.655 1.00 63.24 H new ATOM 0 HD2 PHE A 36 2.859 2.859 -13.270 1.00 24.44 H new ATOM 0 HE1 PHE A 36 0.278 0.614 -16.810 1.00 34.52 H new ATOM 0 HE2 PHE A 36 2.848 0.408 -13.418 1.00 53.31 H new ATOM 0 HZ PHE A 36 1.569 -0.718 -15.193 1.00 24.04 H new ATOM 562 N ASN A 37 -0.339 3.662 -12.476 1.00 34.35 N ATOM 563 CA ASN A 37 -0.602 3.151 -11.117 1.00 3.21 C ATOM 564 C ASN A 37 0.686 2.577 -10.501 1.00 4.14 C ATOM 565 O ASN A 37 1.772 2.720 -11.068 1.00 22.31 O ATOM 566 CB ASN A 37 -1.703 2.060 -11.220 1.00 11.12 C ATOM 567 CG ASN A 37 -2.959 2.574 -11.925 1.00 63.50 C ATOM 568 OD1 ASN A 37 -3.416 3.689 -11.667 1.00 10.42 O ATOM 569 ND2 ASN A 37 -3.487 1.801 -12.864 1.00 52.54 N ATOM 0 H ASN A 37 -0.450 2.948 -13.196 1.00 34.35 H new ATOM 0 HA ASN A 37 -0.941 3.958 -10.467 1.00 3.21 H new ATOM 0 HB2 ASN A 37 -1.310 1.200 -11.762 1.00 11.12 H new ATOM 0 HB3 ASN A 37 -1.965 1.715 -10.220 1.00 11.12 H new ATOM 0 HD21 ASN A 37 -4.295 2.125 -13.396 1.00 52.54 H new ATOM 0 HD22 ASN A 37 -3.086 0.883 -13.054 1.00 52.54 H new ATOM 576 N VAL A 38 0.566 1.927 -9.334 1.00 71.34 N ATOM 577 CA VAL A 38 1.707 1.279 -8.663 1.00 41.32 C ATOM 578 C VAL A 38 1.758 -0.218 -9.038 1.00 14.13 C ATOM 579 O VAL A 38 0.716 -0.856 -9.229 1.00 4.12 O ATOM 580 CB VAL A 38 1.647 1.463 -7.094 1.00 10.12 C ATOM 581 CG1 VAL A 38 2.919 0.915 -6.416 1.00 64.33 C ATOM 582 CG2 VAL A 38 1.427 2.946 -6.715 1.00 40.10 C ATOM 0 H VAL A 38 -0.316 1.835 -8.831 1.00 71.34 H new ATOM 0 HA VAL A 38 2.620 1.764 -9.008 1.00 41.32 H new ATOM 0 HB VAL A 38 0.796 0.887 -6.730 1.00 10.12 H new ATOM 0 HG11 VAL A 38 2.846 1.057 -5.338 1.00 64.33 H new ATOM 0 HG12 VAL A 38 3.020 -0.148 -6.636 1.00 64.33 H new ATOM 0 HG13 VAL A 38 3.791 1.448 -6.794 1.00 64.33 H new ATOM 0 HG21 VAL A 38 1.390 3.043 -5.630 1.00 40.10 H new ATOM 0 HG22 VAL A 38 2.249 3.547 -7.105 1.00 40.10 H new ATOM 0 HG23 VAL A 38 0.487 3.295 -7.143 1.00 40.10 H new ATOM 592 N GLU A 39 2.985 -0.741 -9.174 1.00 72.14 N ATOM 593 CA GLU A 39 3.275 -2.148 -9.500 1.00 73.55 C ATOM 594 C GLU A 39 3.248 -3.001 -8.210 1.00 42.22 C ATOM 595 O GLU A 39 2.532 -4.008 -8.124 1.00 51.11 O ATOM 596 CB GLU A 39 4.675 -2.195 -10.177 1.00 11.34 C ATOM 597 CG GLU A 39 5.239 -3.593 -10.500 1.00 24.35 C ATOM 598 CD GLU A 39 6.717 -3.538 -10.925 1.00 53.42 C ATOM 599 OE1 GLU A 39 7.597 -3.538 -10.033 1.00 43.44 O ATOM 600 OE2 GLU A 39 7.003 -3.463 -12.144 1.00 43.43 O ATOM 0 H GLU A 39 3.830 -0.181 -9.057 1.00 72.14 H new ATOM 0 HA GLU A 39 2.526 -2.556 -10.178 1.00 73.55 H new ATOM 0 HB2 GLU A 39 4.624 -1.626 -11.105 1.00 11.34 H new ATOM 0 HB3 GLU A 39 5.385 -1.683 -9.527 1.00 11.34 H new ATOM 0 HG2 GLU A 39 5.138 -4.235 -9.625 1.00 24.35 H new ATOM 0 HG3 GLU A 39 4.650 -4.046 -11.297 1.00 24.35 H new ATOM 607 N GLY A 40 4.017 -2.552 -7.201 1.00 4.22 N ATOM 608 CA GLY A 40 4.148 -3.265 -5.921 1.00 31.11 C ATOM 609 C GLY A 40 4.297 -2.299 -4.753 1.00 4.15 C ATOM 610 O GLY A 40 4.819 -1.204 -4.921 1.00 32.35 O ATOM 0 H GLY A 40 4.561 -1.691 -7.251 1.00 4.22 H new ATOM 0 HA2 GLY A 40 3.272 -3.895 -5.764 1.00 31.11 H new ATOM 0 HA3 GLY A 40 5.014 -3.926 -5.959 1.00 31.11 H new ATOM 614 N ILE A 41 3.828 -2.704 -3.563 1.00 63.11 N ATOM 615 CA ILE A 41 3.845 -1.862 -2.337 1.00 73.14 C ATOM 616 C ILE A 41 4.328 -2.722 -1.158 1.00 54.32 C ATOM 617 O ILE A 41 4.089 -3.933 -1.133 1.00 0.12 O ATOM 618 CB ILE A 41 2.406 -1.266 -1.997 1.00 21.42 C ATOM 619 CG1 ILE A 41 1.834 -0.453 -3.200 1.00 1.14 C ATOM 620 CG2 ILE A 41 2.421 -0.394 -0.711 1.00 4.33 C ATOM 621 CD1 ILE A 41 0.432 0.110 -3.003 1.00 12.45 C ATOM 0 H ILE A 41 3.422 -3.628 -3.414 1.00 63.11 H new ATOM 0 HA ILE A 41 4.516 -1.021 -2.512 1.00 73.14 H new ATOM 0 HB ILE A 41 1.751 -2.116 -1.809 1.00 21.42 H new ATOM 0 HG12 ILE A 41 2.512 0.373 -3.413 1.00 1.14 H new ATOM 0 HG13 ILE A 41 1.828 -1.095 -4.080 1.00 1.14 H new ATOM 0 HG21 ILE A 41 1.419 -0.010 -0.520 1.00 4.33 H new ATOM 0 HG22 ILE A 41 2.745 -1.000 0.135 1.00 4.33 H new ATOM 0 HG23 ILE A 41 3.110 0.440 -0.845 1.00 4.33 H new ATOM 0 HD11 ILE A 41 0.130 0.657 -3.897 1.00 12.45 H new ATOM 0 HD12 ILE A 41 -0.267 -0.707 -2.825 1.00 12.45 H new ATOM 0 HD13 ILE A 41 0.428 0.784 -2.147 1.00 12.45 H new ATOM 633 N LEU A 42 5.020 -2.092 -0.197 1.00 1.04 N ATOM 634 CA LEU A 42 5.368 -2.727 1.081 1.00 34.25 C ATOM 635 C LEU A 42 5.424 -1.667 2.195 1.00 71.23 C ATOM 636 O LEU A 42 6.356 -0.887 2.248 1.00 32.21 O ATOM 637 CB LEU A 42 6.722 -3.483 0.968 1.00 31.34 C ATOM 638 CG LEU A 42 7.277 -4.109 2.291 1.00 31.33 C ATOM 639 CD1 LEU A 42 6.287 -5.097 2.932 1.00 53.41 C ATOM 640 CD2 LEU A 42 8.639 -4.764 2.045 1.00 23.00 C ATOM 0 H LEU A 42 5.353 -1.132 -0.284 1.00 1.04 H new ATOM 0 HA LEU A 42 4.598 -3.456 1.332 1.00 34.25 H new ATOM 0 HB2 LEU A 42 6.609 -4.280 0.233 1.00 31.34 H new ATOM 0 HB3 LEU A 42 7.469 -2.792 0.577 1.00 31.34 H new ATOM 0 HG LEU A 42 7.409 -3.296 3.006 1.00 31.33 H new ATOM 0 HD11 LEU A 42 6.719 -5.503 3.846 1.00 53.41 H new ATOM 0 HD12 LEU A 42 5.358 -4.579 3.169 1.00 53.41 H new ATOM 0 HD13 LEU A 42 6.082 -5.910 2.235 1.00 53.41 H new ATOM 0 HD21 LEU A 42 9.009 -5.194 2.976 1.00 23.00 H new ATOM 0 HD22 LEU A 42 8.535 -5.551 1.298 1.00 23.00 H new ATOM 0 HD23 LEU A 42 9.344 -4.014 1.686 1.00 23.00 H new ATOM 652 N CYS A 43 4.394 -1.624 3.053 1.00 60.33 N ATOM 653 CA CYS A 43 4.412 -0.825 4.292 1.00 43.02 C ATOM 654 C CYS A 43 4.891 -1.714 5.441 1.00 31.52 C ATOM 655 O CYS A 43 4.168 -2.622 5.871 1.00 44.44 O ATOM 656 CB CYS A 43 3.012 -0.247 4.601 1.00 55.11 C ATOM 657 SG CYS A 43 2.917 0.736 6.114 1.00 22.21 S ATOM 0 H CYS A 43 3.526 -2.140 2.910 1.00 60.33 H new ATOM 0 HA CYS A 43 5.092 0.018 4.168 1.00 43.02 H new ATOM 0 HB2 CYS A 43 2.696 0.372 3.761 1.00 55.11 H new ATOM 0 HB3 CYS A 43 2.302 -1.071 4.674 1.00 55.11 H new ATOM 0 HG CYS A 43 1.702 1.171 6.273 1.00 22.21 H new ATOM 663 N LEU A 44 6.137 -1.485 5.878 1.00 61.12 N ATOM 664 CA LEU A 44 6.758 -2.213 6.988 1.00 44.52 C ATOM 665 C LEU A 44 6.603 -1.365 8.269 1.00 24.13 C ATOM 666 O LEU A 44 7.246 -0.300 8.376 1.00 23.03 O ATOM 667 CB LEU A 44 8.261 -2.469 6.676 1.00 72.41 C ATOM 668 CG LEU A 44 8.953 -3.619 7.459 1.00 63.11 C ATOM 669 CD1 LEU A 44 8.345 -4.977 7.076 1.00 73.44 C ATOM 670 CD2 LEU A 44 10.479 -3.616 7.224 1.00 74.23 C ATOM 0 H LEU A 44 6.747 -0.780 5.464 1.00 61.12 H new ATOM 0 HA LEU A 44 6.274 -3.179 7.129 1.00 44.52 H new ATOM 0 HB2 LEU A 44 8.356 -2.678 5.611 1.00 72.41 H new ATOM 0 HB3 LEU A 44 8.810 -1.548 6.870 1.00 72.41 H new ATOM 0 HG LEU A 44 8.780 -3.452 8.522 1.00 63.11 H new ATOM 0 HD11 LEU A 44 8.843 -5.769 7.635 1.00 73.44 H new ATOM 0 HD12 LEU A 44 7.281 -4.979 7.313 1.00 73.44 H new ATOM 0 HD13 LEU A 44 8.479 -5.147 6.008 1.00 73.44 H new ATOM 0 HD21 LEU A 44 10.935 -4.432 7.785 1.00 74.23 H new ATOM 0 HD22 LEU A 44 10.684 -3.747 6.161 1.00 74.23 H new ATOM 0 HD23 LEU A 44 10.897 -2.667 7.560 1.00 74.23 H new ATOM 682 N PRO A 45 5.717 -1.781 9.235 1.00 5.11 N ATOM 683 CA PRO A 45 5.507 -1.034 10.493 1.00 74.24 C ATOM 684 C PRO A 45 6.680 -1.208 11.489 1.00 60.31 C ATOM 685 O PRO A 45 7.316 -2.269 11.558 1.00 24.43 O ATOM 686 CB PRO A 45 4.186 -1.631 11.038 1.00 72.03 C ATOM 687 CG PRO A 45 4.153 -3.035 10.518 1.00 45.25 C ATOM 688 CD PRO A 45 4.837 -2.992 9.165 1.00 34.44 C ATOM 0 HA PRO A 45 5.457 0.044 10.338 1.00 74.24 H new ATOM 0 HB2 PRO A 45 4.164 -1.613 12.128 1.00 72.03 H new ATOM 0 HB3 PRO A 45 3.323 -1.062 10.693 1.00 72.03 H new ATOM 0 HG2 PRO A 45 4.669 -3.715 11.196 1.00 45.25 H new ATOM 0 HG3 PRO A 45 3.128 -3.394 10.426 1.00 45.25 H new ATOM 0 HD2 PRO A 45 5.418 -3.896 8.984 1.00 34.44 H new ATOM 0 HD3 PRO A 45 4.112 -2.911 8.355 1.00 34.44 H new ATOM 696 N ILE A 46 6.968 -0.134 12.233 1.00 73.14 N ATOM 697 CA ILE A 46 7.999 -0.100 13.272 1.00 13.41 C ATOM 698 C ILE A 46 7.303 -0.292 14.631 1.00 33.35 C ATOM 699 O ILE A 46 6.272 0.331 14.896 1.00 52.35 O ATOM 700 CB ILE A 46 8.837 1.249 13.226 1.00 15.20 C ATOM 701 CG1 ILE A 46 9.793 1.313 11.969 1.00 63.14 C ATOM 702 CG2 ILE A 46 9.654 1.474 14.528 1.00 74.02 C ATOM 703 CD1 ILE A 46 9.112 1.440 10.616 1.00 43.24 C ATOM 0 H ILE A 46 6.479 0.755 12.126 1.00 73.14 H new ATOM 0 HA ILE A 46 8.718 -0.902 13.107 1.00 13.41 H new ATOM 0 HB ILE A 46 8.106 2.053 13.139 1.00 15.20 H new ATOM 0 HG12 ILE A 46 10.468 2.160 12.094 1.00 63.14 H new ATOM 0 HG13 ILE A 46 10.409 0.413 11.960 1.00 63.14 H new ATOM 0 HG21 ILE A 46 10.211 2.408 14.451 1.00 74.02 H new ATOM 0 HG22 ILE A 46 8.975 1.525 15.379 1.00 74.02 H new ATOM 0 HG23 ILE A 46 10.350 0.647 14.668 1.00 74.02 H new ATOM 0 HD11 ILE A 46 9.867 1.475 9.831 1.00 43.24 H new ATOM 0 HD12 ILE A 46 8.460 0.582 10.455 1.00 43.24 H new ATOM 0 HD13 ILE A 46 8.520 2.355 10.591 1.00 43.24 H new ATOM 715 N GLN A 47 7.854 -1.194 15.451 1.00 62.21 N ATOM 716 CA GLN A 47 7.328 -1.516 16.789 1.00 10.43 C ATOM 717 C GLN A 47 7.606 -0.378 17.797 1.00 72.10 C ATOM 718 O GLN A 47 6.702 0.069 18.518 1.00 3.21 O ATOM 719 CB GLN A 47 7.977 -2.852 17.267 1.00 72.52 C ATOM 720 CG GLN A 47 7.802 -3.170 18.768 1.00 4.45 C ATOM 721 CD GLN A 47 6.335 -3.328 19.213 1.00 30.34 C ATOM 722 OE1 GLN A 47 5.469 -3.759 18.444 1.00 63.24 O ATOM 723 NE2 GLN A 47 6.044 -2.983 20.459 1.00 70.30 N ATOM 0 H GLN A 47 8.687 -1.729 15.205 1.00 62.21 H new ATOM 0 HA GLN A 47 6.245 -1.628 16.732 1.00 10.43 H new ATOM 0 HB2 GLN A 47 7.552 -3.671 16.687 1.00 72.52 H new ATOM 0 HB3 GLN A 47 9.043 -2.820 17.041 1.00 72.52 H new ATOM 0 HG2 GLN A 47 8.341 -4.089 18.999 1.00 4.45 H new ATOM 0 HG3 GLN A 47 8.264 -2.374 19.353 1.00 4.45 H new ATOM 0 HE21 GLN A 47 6.777 -2.630 21.075 1.00 70.30 H new ATOM 0 HE22 GLN A 47 5.088 -3.071 20.802 1.00 70.30 H new ATOM 732 N ASP A 48 8.867 0.071 17.812 1.00 3.01 N ATOM 733 CA ASP A 48 9.409 1.015 18.813 1.00 20.11 C ATOM 734 C ASP A 48 8.624 2.346 18.862 1.00 23.24 C ATOM 735 O ASP A 48 8.424 2.923 19.935 1.00 4.22 O ATOM 736 CB ASP A 48 10.903 1.265 18.489 1.00 52.31 C ATOM 737 CG ASP A 48 11.588 2.297 19.403 1.00 32.15 C ATOM 738 OD1 ASP A 48 12.024 1.928 20.515 1.00 50.33 O ATOM 739 OD2 ASP A 48 11.689 3.483 19.018 1.00 73.34 O ATOM 0 H ASP A 48 9.558 -0.214 17.117 1.00 3.01 H new ATOM 0 HA ASP A 48 9.305 0.570 19.803 1.00 20.11 H new ATOM 0 HB2 ASP A 48 11.441 0.320 18.562 1.00 52.31 H new ATOM 0 HB3 ASP A 48 10.987 1.601 17.455 1.00 52.31 H new ATOM 744 N SER A 49 8.182 2.810 17.684 1.00 35.51 N ATOM 745 CA SER A 49 7.448 4.090 17.520 1.00 44.51 C ATOM 746 C SER A 49 6.378 3.943 16.422 1.00 32.42 C ATOM 747 O SER A 49 6.466 3.017 15.606 1.00 45.32 O ATOM 748 CB SER A 49 8.431 5.231 17.152 1.00 11.31 C ATOM 749 OG SER A 49 9.429 5.410 18.151 1.00 14.02 O ATOM 0 H SER A 49 8.321 2.309 16.806 1.00 35.51 H new ATOM 0 HA SER A 49 6.961 4.339 18.463 1.00 44.51 H new ATOM 0 HB2 SER A 49 8.908 5.007 16.198 1.00 11.31 H new ATOM 0 HB3 SER A 49 7.877 6.160 17.021 1.00 11.31 H new ATOM 0 HG SER A 49 10.001 4.615 18.189 1.00 14.02 H new ATOM 755 N ASP A 50 5.373 4.861 16.395 1.00 24.53 N ATOM 756 CA ASP A 50 4.328 4.866 15.344 1.00 54.25 C ATOM 757 C ASP A 50 4.932 5.325 13.999 1.00 51.00 C ATOM 758 O ASP A 50 4.771 6.452 13.573 1.00 3.41 O ATOM 759 CB ASP A 50 3.073 5.727 15.757 1.00 12.20 C ATOM 760 CG ASP A 50 3.384 7.143 16.321 1.00 50.54 C ATOM 761 OD1 ASP A 50 3.842 8.031 15.570 1.00 60.45 O ATOM 762 OD2 ASP A 50 3.127 7.391 17.519 1.00 40.11 O ATOM 0 H ASP A 50 5.268 5.602 17.088 1.00 24.53 H new ATOM 0 HA ASP A 50 3.963 3.846 15.223 1.00 54.25 H new ATOM 0 HB2 ASP A 50 2.428 5.837 14.885 1.00 12.20 H new ATOM 0 HB3 ASP A 50 2.506 5.174 16.506 1.00 12.20 H new ATOM 767 N LYS A 51 5.636 4.409 13.335 1.00 42.32 N ATOM 768 CA LYS A 51 6.406 4.703 12.118 1.00 61.32 C ATOM 769 C LYS A 51 6.200 3.553 11.127 1.00 74.23 C ATOM 770 O LYS A 51 5.872 2.434 11.525 1.00 52.13 O ATOM 771 CB LYS A 51 7.913 4.888 12.488 1.00 2.13 C ATOM 772 CG LYS A 51 8.807 5.491 11.375 1.00 64.35 C ATOM 773 CD LYS A 51 8.478 6.972 11.063 1.00 33.02 C ATOM 774 CE LYS A 51 8.700 7.919 12.258 1.00 0.43 C ATOM 775 NZ LYS A 51 10.125 7.983 12.652 1.00 14.50 N ATOM 0 H LYS A 51 5.691 3.433 13.626 1.00 42.32 H new ATOM 0 HA LYS A 51 6.066 5.628 11.653 1.00 61.32 H new ATOM 0 HB2 LYS A 51 7.977 5.529 13.367 1.00 2.13 H new ATOM 0 HB3 LYS A 51 8.321 3.918 12.771 1.00 2.13 H new ATOM 0 HG2 LYS A 51 9.852 5.413 11.675 1.00 64.35 H new ATOM 0 HG3 LYS A 51 8.692 4.901 10.466 1.00 64.35 H new ATOM 0 HD2 LYS A 51 9.095 7.304 10.228 1.00 33.02 H new ATOM 0 HD3 LYS A 51 7.439 7.045 10.741 1.00 33.02 H new ATOM 0 HE2 LYS A 51 8.349 8.918 12.000 1.00 0.43 H new ATOM 0 HE3 LYS A 51 8.104 7.581 13.105 1.00 0.43 H new ATOM 0 HZ1 LYS A 51 10.241 8.668 13.426 1.00 14.50 H new ATOM 0 HZ2 LYS A 51 10.439 7.044 12.971 1.00 14.50 H new ATOM 0 HZ3 LYS A 51 10.698 8.281 11.837 1.00 14.50 H new ATOM 789 N SER A 52 6.391 3.851 9.842 1.00 21.45 N ATOM 790 CA SER A 52 6.182 2.913 8.737 1.00 3.35 C ATOM 791 C SER A 52 7.009 3.388 7.529 1.00 34.12 C ATOM 792 O SER A 52 6.842 4.518 7.076 1.00 64.41 O ATOM 793 CB SER A 52 4.676 2.834 8.347 1.00 15.32 C ATOM 794 OG SER A 52 3.867 2.362 9.417 1.00 3.10 O ATOM 0 H SER A 52 6.702 4.772 9.532 1.00 21.45 H new ATOM 0 HA SER A 52 6.500 1.918 9.048 1.00 3.35 H new ATOM 0 HB2 SER A 52 4.330 3.821 8.040 1.00 15.32 H new ATOM 0 HB3 SER A 52 4.559 2.174 7.487 1.00 15.32 H new ATOM 0 HG SER A 52 2.931 2.330 9.130 1.00 3.10 H new ATOM 800 N HIS A 53 7.940 2.550 7.045 1.00 74.34 N ATOM 801 CA HIS A 53 8.617 2.804 5.745 1.00 42.33 C ATOM 802 C HIS A 53 7.815 2.078 4.659 1.00 21.13 C ATOM 803 O HIS A 53 7.502 0.903 4.829 1.00 12.31 O ATOM 804 CB HIS A 53 10.083 2.293 5.740 1.00 11.20 C ATOM 805 CG HIS A 53 11.013 2.980 6.703 1.00 11.24 C ATOM 806 ND1 HIS A 53 12.208 3.538 6.320 1.00 10.04 N ATOM 807 CD2 HIS A 53 10.954 3.130 8.044 1.00 4.35 C ATOM 808 CE1 HIS A 53 12.840 3.995 7.376 1.00 43.42 C ATOM 809 NE2 HIS A 53 12.102 3.760 8.439 1.00 31.41 N ATOM 0 H HIS A 53 8.244 1.700 7.520 1.00 74.34 H new ATOM 0 HA HIS A 53 8.655 3.879 5.566 1.00 42.33 H new ATOM 0 HB2 HIS A 53 10.078 1.227 5.965 1.00 11.20 H new ATOM 0 HB3 HIS A 53 10.484 2.404 4.733 1.00 11.20 H new ATOM 0 HD1 HIS A 53 12.552 3.590 5.361 1.00 10.04 H new ATOM 0 HD2 HIS A 53 10.147 2.811 8.687 1.00 4.35 H new ATOM 0 HE1 HIS A 53 13.804 4.482 7.372 1.00 43.42 H new ATOM 818 N ILE A 54 7.447 2.777 3.566 1.00 54.02 N ATOM 819 CA ILE A 54 6.683 2.168 2.462 1.00 51.40 C ATOM 820 C ILE A 54 7.523 2.245 1.176 1.00 1.41 C ATOM 821 O ILE A 54 7.931 3.334 0.776 1.00 45.04 O ATOM 822 CB ILE A 54 5.261 2.829 2.205 1.00 44.25 C ATOM 823 CG1 ILE A 54 4.366 2.905 3.494 1.00 1.41 C ATOM 824 CG2 ILE A 54 4.506 2.046 1.103 1.00 45.22 C ATOM 825 CD1 ILE A 54 4.754 3.968 4.500 1.00 41.32 C ATOM 0 H ILE A 54 7.667 3.763 3.426 1.00 54.02 H new ATOM 0 HA ILE A 54 6.484 1.137 2.754 1.00 51.40 H new ATOM 0 HB ILE A 54 5.452 3.854 1.887 1.00 44.25 H new ATOM 0 HG12 ILE A 54 3.334 3.079 3.188 1.00 1.41 H new ATOM 0 HG13 ILE A 54 4.392 1.935 3.990 1.00 1.41 H new ATOM 0 HG21 ILE A 54 3.532 2.505 0.933 1.00 45.22 H new ATOM 0 HG22 ILE A 54 5.084 2.069 0.179 1.00 45.22 H new ATOM 0 HG23 ILE A 54 4.369 1.012 1.420 1.00 45.22 H new ATOM 0 HD11 ILE A 54 4.071 3.932 5.349 1.00 41.32 H new ATOM 0 HD12 ILE A 54 5.772 3.788 4.845 1.00 41.32 H new ATOM 0 HD13 ILE A 54 4.698 4.950 4.031 1.00 41.32 H new ATOM 837 N TRP A 55 7.785 1.076 0.556 1.00 43.21 N ATOM 838 CA TRP A 55 8.503 0.972 -0.726 1.00 12.41 C ATOM 839 C TRP A 55 7.467 0.849 -1.856 1.00 23.32 C ATOM 840 O TRP A 55 6.769 -0.172 -1.963 1.00 74.53 O ATOM 841 CB TRP A 55 9.468 -0.252 -0.710 1.00 61.30 C ATOM 842 CG TRP A 55 10.561 -0.162 0.348 1.00 73.03 C ATOM 843 CD1 TRP A 55 11.847 0.249 0.182 1.00 4.24 C ATOM 844 CD2 TRP A 55 10.438 -0.469 1.739 1.00 3.22 C ATOM 845 NE1 TRP A 55 12.522 0.211 1.369 1.00 72.21 N ATOM 846 CE2 TRP A 55 11.679 -0.217 2.343 1.00 43.11 C ATOM 847 CE3 TRP A 55 9.403 -0.926 2.519 1.00 34.51 C ATOM 848 CZ2 TRP A 55 11.903 -0.413 3.700 1.00 63.00 C ATOM 849 CZ3 TRP A 55 9.612 -1.112 3.855 1.00 41.53 C ATOM 850 CH2 TRP A 55 10.856 -0.856 4.444 1.00 62.25 C ATOM 0 H TRP A 55 7.501 0.173 0.936 1.00 43.21 H new ATOM 0 HA TRP A 55 9.110 1.862 -0.889 1.00 12.41 H new ATOM 0 HB2 TRP A 55 8.887 -1.159 -0.542 1.00 61.30 H new ATOM 0 HB3 TRP A 55 9.933 -0.349 -1.691 1.00 61.30 H new ATOM 0 HD1 TRP A 55 12.275 0.562 -0.759 1.00 4.24 H new ATOM 0 HE1 TRP A 55 13.501 0.463 1.502 1.00 72.21 H new ATOM 0 HE3 TRP A 55 8.438 -1.135 2.081 1.00 34.51 H new ATOM 0 HZ2 TRP A 55 12.868 -0.221 4.145 1.00 63.00 H new ATOM 0 HZ3 TRP A 55 8.799 -1.465 4.472 1.00 41.53 H new ATOM 0 HH2 TRP A 55 10.985 -1.013 5.505 1.00 62.25 H new ATOM 861 N LEU A 56 7.329 1.932 -2.642 1.00 61.43 N ATOM 862 CA LEU A 56 6.441 1.989 -3.813 1.00 35.21 C ATOM 863 C LEU A 56 7.247 1.670 -5.079 1.00 74.35 C ATOM 864 O LEU A 56 8.100 2.456 -5.498 1.00 22.32 O ATOM 865 CB LEU A 56 5.765 3.390 -3.960 1.00 22.34 C ATOM 866 CG LEU A 56 4.783 3.847 -2.826 1.00 64.43 C ATOM 867 CD1 LEU A 56 3.699 2.789 -2.544 1.00 23.25 C ATOM 868 CD2 LEU A 56 5.536 4.282 -1.547 1.00 41.30 C ATOM 0 H LEU A 56 7.837 2.801 -2.478 1.00 61.43 H new ATOM 0 HA LEU A 56 5.651 1.251 -3.673 1.00 35.21 H new ATOM 0 HB2 LEU A 56 6.555 4.137 -4.041 1.00 22.34 H new ATOM 0 HB3 LEU A 56 5.218 3.401 -4.903 1.00 22.34 H new ATOM 0 HG LEU A 56 4.263 4.733 -3.191 1.00 64.43 H new ATOM 0 HD11 LEU A 56 3.040 3.145 -1.752 1.00 23.25 H new ATOM 0 HD12 LEU A 56 3.117 2.614 -3.449 1.00 23.25 H new ATOM 0 HD13 LEU A 56 4.172 1.858 -2.231 1.00 23.25 H new ATOM 0 HD21 LEU A 56 4.817 4.590 -0.788 1.00 41.30 H new ATOM 0 HD22 LEU A 56 6.125 3.446 -1.170 1.00 41.30 H new ATOM 0 HD23 LEU A 56 6.197 5.116 -1.780 1.00 41.30 H new ATOM 880 N LEU A 57 6.959 0.510 -5.665 1.00 3.11 N ATOM 881 CA LEU A 57 7.549 0.060 -6.927 1.00 11.32 C ATOM 882 C LEU A 57 6.684 0.607 -8.059 1.00 42.14 C ATOM 883 O LEU A 57 5.546 0.175 -8.226 1.00 4.20 O ATOM 884 CB LEU A 57 7.616 -1.497 -6.986 1.00 74.11 C ATOM 885 CG LEU A 57 8.784 -2.191 -6.213 1.00 72.50 C ATOM 886 CD1 LEU A 57 8.818 -1.811 -4.714 1.00 53.32 C ATOM 887 CD2 LEU A 57 8.723 -3.722 -6.414 1.00 60.00 C ATOM 0 H LEU A 57 6.297 -0.157 -5.270 1.00 3.11 H new ATOM 0 HA LEU A 57 8.571 0.427 -7.018 1.00 11.32 H new ATOM 0 HB2 LEU A 57 6.675 -1.891 -6.601 1.00 74.11 H new ATOM 0 HB3 LEU A 57 7.681 -1.793 -8.033 1.00 74.11 H new ATOM 0 HG LEU A 57 9.719 -1.823 -6.634 1.00 72.50 H new ATOM 0 HD11 LEU A 57 9.649 -2.322 -4.228 1.00 53.32 H new ATOM 0 HD12 LEU A 57 8.947 -0.733 -4.615 1.00 53.32 H new ATOM 0 HD13 LEU A 57 7.882 -2.110 -4.242 1.00 53.32 H new ATOM 0 HD21 LEU A 57 9.542 -4.193 -5.870 1.00 60.00 H new ATOM 0 HD22 LEU A 57 7.773 -4.101 -6.038 1.00 60.00 H new ATOM 0 HD23 LEU A 57 8.811 -3.953 -7.475 1.00 60.00 H new ATOM 899 N VAL A 58 7.211 1.601 -8.782 1.00 75.32 N ATOM 900 CA VAL A 58 6.491 2.269 -9.884 1.00 43.10 C ATOM 901 C VAL A 58 7.498 2.785 -10.919 1.00 1.25 C ATOM 902 O VAL A 58 8.598 3.192 -10.557 1.00 21.43 O ATOM 903 CB VAL A 58 5.610 3.470 -9.342 1.00 15.31 C ATOM 904 CG1 VAL A 58 6.477 4.579 -8.696 1.00 74.44 C ATOM 905 CG2 VAL A 58 4.679 4.041 -10.444 1.00 61.44 C ATOM 0 H VAL A 58 8.149 1.969 -8.624 1.00 75.32 H new ATOM 0 HA VAL A 58 5.825 1.543 -10.352 1.00 43.10 H new ATOM 0 HB VAL A 58 4.972 3.066 -8.556 1.00 15.31 H new ATOM 0 HG11 VAL A 58 5.833 5.382 -8.338 1.00 74.44 H new ATOM 0 HG12 VAL A 58 7.036 4.162 -7.858 1.00 74.44 H new ATOM 0 HG13 VAL A 58 7.173 4.974 -9.436 1.00 74.44 H new ATOM 0 HG21 VAL A 58 4.091 4.862 -10.034 1.00 61.44 H new ATOM 0 HG22 VAL A 58 5.281 4.406 -11.276 1.00 61.44 H new ATOM 0 HG23 VAL A 58 4.010 3.257 -10.797 1.00 61.44 H new ATOM 915 N ASN A 59 7.139 2.751 -12.205 1.00 2.15 N ATOM 916 CA ASN A 59 7.942 3.414 -13.243 1.00 61.01 C ATOM 917 C ASN A 59 7.746 4.939 -13.120 1.00 32.54 C ATOM 918 O ASN A 59 6.646 5.456 -13.350 1.00 65.11 O ATOM 919 CB ASN A 59 7.614 2.866 -14.656 1.00 74.12 C ATOM 920 CG ASN A 59 6.118 2.820 -15.001 1.00 23.31 C ATOM 921 OD1 ASN A 59 5.537 3.796 -15.476 1.00 64.54 O ATOM 922 ND2 ASN A 59 5.496 1.672 -14.795 1.00 73.00 N ATOM 0 H ASN A 59 6.306 2.277 -12.553 1.00 2.15 H new ATOM 0 HA ASN A 59 8.999 3.194 -13.093 1.00 61.01 H new ATOM 0 HB2 ASN A 59 8.124 3.483 -15.396 1.00 74.12 H new ATOM 0 HB3 ASN A 59 8.023 1.859 -14.743 1.00 74.12 H new ATOM 0 HD21 ASN A 59 4.508 1.578 -15.031 1.00 73.00 H new ATOM 0 HD22 ASN A 59 6.004 0.881 -14.400 1.00 73.00 H new ATOM 929 N ASP A 60 8.816 5.639 -12.687 1.00 35.51 N ATOM 930 CA ASP A 60 8.768 7.070 -12.330 1.00 34.30 C ATOM 931 C ASP A 60 8.629 7.963 -13.571 1.00 65.52 C ATOM 932 O ASP A 60 8.604 7.478 -14.708 1.00 74.50 O ATOM 933 CB ASP A 60 10.026 7.462 -11.493 1.00 40.23 C ATOM 934 CG ASP A 60 11.330 7.570 -12.307 1.00 54.10 C ATOM 935 OD1 ASP A 60 11.723 6.577 -12.945 1.00 42.45 O ATOM 936 OD2 ASP A 60 11.979 8.636 -12.292 1.00 34.52 O ATOM 0 H ASP A 60 9.741 5.224 -12.575 1.00 35.51 H new ATOM 0 HA ASP A 60 7.880 7.233 -11.719 1.00 34.30 H new ATOM 0 HB2 ASP A 60 9.838 8.418 -11.005 1.00 40.23 H new ATOM 0 HB3 ASP A 60 10.166 6.723 -10.704 1.00 40.23 H new ATOM 941 N ASP A 61 8.529 9.274 -13.333 1.00 63.24 N ATOM 942 CA ASP A 61 8.380 10.278 -14.392 1.00 11.44 C ATOM 943 C ASP A 61 9.171 11.539 -14.009 1.00 1.13 C ATOM 944 O ASP A 61 9.529 11.720 -12.837 1.00 1.13 O ATOM 945 CB ASP A 61 6.873 10.588 -14.621 1.00 3.33 C ATOM 946 CG ASP A 61 6.592 11.333 -15.938 1.00 2.24 C ATOM 947 OD1 ASP A 61 6.362 10.666 -16.972 1.00 72.44 O ATOM 948 OD2 ASP A 61 6.577 12.578 -15.943 1.00 54.23 O ATOM 0 H ASP A 61 8.549 9.672 -12.394 1.00 63.24 H new ATOM 0 HA ASP A 61 8.782 9.896 -15.331 1.00 11.44 H new ATOM 0 HB2 ASP A 61 6.313 9.653 -14.615 1.00 3.33 H new ATOM 0 HB3 ASP A 61 6.503 11.186 -13.788 1.00 3.33 H new ATOM 953 N GLN A 62 9.422 12.398 -15.009 1.00 75.35 N ATOM 954 CA GLN A 62 10.082 13.707 -14.823 1.00 25.24 C ATOM 955 C GLN A 62 9.266 14.594 -13.858 1.00 35.13 C ATOM 956 O GLN A 62 9.814 15.283 -12.990 1.00 13.41 O ATOM 957 CB GLN A 62 10.237 14.408 -16.197 1.00 22.42 C ATOM 958 CG GLN A 62 10.972 13.570 -17.259 1.00 41.13 C ATOM 959 CD GLN A 62 11.088 14.279 -18.610 1.00 2.41 C ATOM 960 OE1 GLN A 62 12.057 14.993 -18.871 1.00 53.50 O ATOM 961 NE2 GLN A 62 10.097 14.103 -19.475 1.00 43.31 N ATOM 0 H GLN A 62 9.172 12.205 -15.979 1.00 75.35 H new ATOM 0 HA GLN A 62 11.068 13.548 -14.387 1.00 25.24 H new ATOM 0 HB2 GLN A 62 9.247 14.663 -16.575 1.00 22.42 H new ATOM 0 HB3 GLN A 62 10.775 15.345 -16.055 1.00 22.42 H new ATOM 0 HG2 GLN A 62 11.971 13.329 -16.895 1.00 41.13 H new ATOM 0 HG3 GLN A 62 10.446 12.625 -17.395 1.00 41.13 H new ATOM 0 HE21 GLN A 62 9.307 13.506 -19.231 1.00 43.31 H new ATOM 0 HE22 GLN A 62 10.125 14.565 -20.384 1.00 43.31 H new ATOM 970 N ARG A 63 7.938 14.518 -14.020 1.00 51.44 N ATOM 971 CA ARG A 63 6.960 15.249 -13.207 1.00 22.21 C ATOM 972 C ARG A 63 6.765 14.570 -11.845 1.00 31.42 C ATOM 973 O ARG A 63 6.441 15.237 -10.860 1.00 3.34 O ATOM 974 CB ARG A 63 5.609 15.310 -13.956 1.00 14.33 C ATOM 975 CG ARG A 63 5.679 15.983 -15.340 1.00 12.41 C ATOM 976 CD ARG A 63 4.320 15.999 -16.049 1.00 71.41 C ATOM 977 NE ARG A 63 4.386 16.684 -17.341 1.00 12.42 N ATOM 978 CZ ARG A 63 3.324 17.080 -18.053 1.00 12.44 C ATOM 979 NH1 ARG A 63 2.082 16.862 -17.614 1.00 11.21 N ATOM 980 NH2 ARG A 63 3.514 17.689 -19.212 1.00 53.32 N ATOM 0 H ARG A 63 7.506 13.934 -14.736 1.00 51.44 H new ATOM 0 HA ARG A 63 7.334 16.259 -13.038 1.00 22.21 H new ATOM 0 HB2 ARG A 63 5.229 14.296 -14.077 1.00 14.33 H new ATOM 0 HB3 ARG A 63 4.889 15.849 -13.339 1.00 14.33 H new ATOM 0 HG2 ARG A 63 6.039 17.006 -15.226 1.00 12.41 H new ATOM 0 HG3 ARG A 63 6.404 15.457 -15.961 1.00 12.41 H new ATOM 0 HD2 ARG A 63 3.976 14.975 -16.198 1.00 71.41 H new ATOM 0 HD3 ARG A 63 3.585 16.493 -15.414 1.00 71.41 H new ATOM 0 HE ARG A 63 5.311 16.874 -17.728 1.00 12.42 H new ATOM 0 HH11 ARG A 63 1.932 16.387 -16.724 1.00 11.21 H new ATOM 0 HH12 ARG A 63 1.284 17.170 -18.169 1.00 11.21 H new ATOM 0 HH21 ARG A 63 4.461 17.852 -19.553 1.00 53.32 H new ATOM 0 HH22 ARG A 63 2.713 17.996 -19.764 1.00 53.32 H new ATOM 994 N LEU A 64 6.955 13.230 -11.812 1.00 3.33 N ATOM 995 CA LEU A 64 6.818 12.438 -10.575 1.00 44.34 C ATOM 996 C LEU A 64 7.879 12.864 -9.549 1.00 45.31 C ATOM 997 O LEU A 64 7.614 12.854 -8.360 1.00 24.03 O ATOM 998 CB LEU A 64 6.944 10.913 -10.835 1.00 33.33 C ATOM 999 CG LEU A 64 6.429 9.977 -9.665 1.00 40.22 C ATOM 1000 CD1 LEU A 64 5.025 9.407 -9.966 1.00 14.22 C ATOM 1001 CD2 LEU A 64 7.434 8.853 -9.318 1.00 42.02 C ATOM 0 H LEU A 64 7.204 12.677 -12.632 1.00 3.33 H new ATOM 0 HA LEU A 64 5.819 12.632 -10.184 1.00 44.34 H new ATOM 0 HB2 LEU A 64 6.390 10.670 -11.742 1.00 33.33 H new ATOM 0 HB3 LEU A 64 7.991 10.680 -11.029 1.00 33.33 H new ATOM 0 HG LEU A 64 6.347 10.607 -8.780 1.00 40.22 H new ATOM 0 HD11 LEU A 64 4.706 8.770 -9.141 1.00 14.22 H new ATOM 0 HD12 LEU A 64 4.317 10.227 -10.086 1.00 14.22 H new ATOM 0 HD13 LEU A 64 5.060 8.821 -10.884 1.00 14.22 H new ATOM 0 HD21 LEU A 64 7.031 8.241 -8.510 1.00 42.02 H new ATOM 0 HD22 LEU A 64 7.601 8.230 -10.197 1.00 42.02 H new ATOM 0 HD23 LEU A 64 8.379 9.295 -9.002 1.00 42.02 H new ATOM 1013 N GLU A 65 9.074 13.253 -10.045 1.00 21.30 N ATOM 1014 CA GLU A 65 10.175 13.782 -9.210 1.00 52.01 C ATOM 1015 C GLU A 65 9.730 15.041 -8.434 1.00 72.34 C ATOM 1016 O GLU A 65 10.062 15.215 -7.257 1.00 64.41 O ATOM 1017 CB GLU A 65 11.399 14.101 -10.101 1.00 30.34 C ATOM 1018 CG GLU A 65 11.959 12.890 -10.866 1.00 15.10 C ATOM 1019 CD GLU A 65 13.100 13.268 -11.823 1.00 23.41 C ATOM 1020 OE1 GLU A 65 14.266 13.324 -11.390 1.00 74.21 O ATOM 1021 OE2 GLU A 65 12.836 13.520 -13.011 1.00 70.22 O ATOM 0 H GLU A 65 9.303 13.209 -11.038 1.00 21.30 H new ATOM 0 HA GLU A 65 10.451 13.022 -8.479 1.00 52.01 H new ATOM 0 HB2 GLU A 65 11.120 14.872 -10.819 1.00 30.34 H new ATOM 0 HB3 GLU A 65 12.189 14.518 -9.477 1.00 30.34 H new ATOM 0 HG2 GLU A 65 12.320 12.150 -10.152 1.00 15.10 H new ATOM 0 HG3 GLU A 65 11.155 12.421 -11.433 1.00 15.10 H new ATOM 1028 N GLN A 66 8.943 15.889 -9.113 1.00 44.23 N ATOM 1029 CA GLN A 66 8.367 17.117 -8.520 1.00 24.33 C ATOM 1030 C GLN A 66 7.256 16.769 -7.504 1.00 4.33 C ATOM 1031 O GLN A 66 7.053 17.482 -6.515 1.00 30.14 O ATOM 1032 CB GLN A 66 7.816 18.033 -9.646 1.00 4.23 C ATOM 1033 CG GLN A 66 8.851 18.415 -10.722 1.00 74.23 C ATOM 1034 CD GLN A 66 10.082 19.135 -10.161 1.00 25.31 C ATOM 1035 OE1 GLN A 66 11.075 18.506 -9.801 1.00 3.13 O ATOM 1036 NE2 GLN A 66 10.020 20.455 -10.073 1.00 12.02 N ATOM 0 H GLN A 66 8.685 15.747 -10.090 1.00 44.23 H new ATOM 0 HA GLN A 66 9.152 17.650 -7.983 1.00 24.33 H new ATOM 0 HB2 GLN A 66 6.978 17.530 -10.128 1.00 4.23 H new ATOM 0 HB3 GLN A 66 7.425 18.945 -9.196 1.00 4.23 H new ATOM 0 HG2 GLN A 66 9.174 17.512 -11.241 1.00 74.23 H new ATOM 0 HG3 GLN A 66 8.373 19.055 -11.463 1.00 74.23 H new ATOM 0 HE21 GLN A 66 9.181 20.948 -10.380 1.00 12.02 H new ATOM 0 HE22 GLN A 66 10.811 20.979 -9.698 1.00 12.02 H new ATOM 1045 N MET A 67 6.560 15.647 -7.764 1.00 63.05 N ATOM 1046 CA MET A 67 5.523 15.097 -6.867 1.00 55.11 C ATOM 1047 C MET A 67 6.161 14.490 -5.593 1.00 14.02 C ATOM 1048 O MET A 67 5.576 14.548 -4.509 1.00 25.25 O ATOM 1049 CB MET A 67 4.666 14.043 -7.634 1.00 15.50 C ATOM 1050 CG MET A 67 3.903 14.614 -8.837 1.00 73.41 C ATOM 1051 SD MET A 67 3.045 13.351 -9.804 1.00 32.15 S ATOM 1052 CE MET A 67 2.380 14.347 -11.140 1.00 41.05 C ATOM 0 H MET A 67 6.701 15.092 -8.608 1.00 63.05 H new ATOM 0 HA MET A 67 4.866 15.906 -6.546 1.00 55.11 H new ATOM 0 HB2 MET A 67 5.318 13.241 -7.978 1.00 15.50 H new ATOM 0 HB3 MET A 67 3.951 13.598 -6.942 1.00 15.50 H new ATOM 0 HG2 MET A 67 3.177 15.347 -8.484 1.00 73.41 H new ATOM 0 HG3 MET A 67 4.602 15.144 -9.484 1.00 73.41 H new ATOM 0 HE1 MET A 67 1.346 14.058 -11.329 1.00 41.05 H new ATOM 0 HE2 MET A 67 2.417 15.400 -10.862 1.00 41.05 H new ATOM 0 HE3 MET A 67 2.972 14.188 -12.041 1.00 41.05 H new ATOM 1062 N ILE A 68 7.384 13.943 -5.748 1.00 1.24 N ATOM 1063 CA ILE A 68 8.211 13.422 -4.633 1.00 23.50 C ATOM 1064 C ILE A 68 8.699 14.602 -3.758 1.00 75.22 C ATOM 1065 O ILE A 68 8.711 14.518 -2.524 1.00 32.43 O ATOM 1066 CB ILE A 68 9.443 12.591 -5.183 1.00 41.13 C ATOM 1067 CG1 ILE A 68 8.958 11.354 -6.012 1.00 41.52 C ATOM 1068 CG2 ILE A 68 10.404 12.152 -4.048 1.00 14.32 C ATOM 1069 CD1 ILE A 68 10.045 10.680 -6.842 1.00 3.44 C ATOM 0 H ILE A 68 7.833 13.848 -6.659 1.00 1.24 H new ATOM 0 HA ILE A 68 7.602 12.752 -4.026 1.00 23.50 H new ATOM 0 HB ILE A 68 10.005 13.251 -5.844 1.00 41.13 H new ATOM 0 HG12 ILE A 68 8.533 10.619 -5.328 1.00 41.52 H new ATOM 0 HG13 ILE A 68 8.155 11.671 -6.678 1.00 41.52 H new ATOM 0 HG21 ILE A 68 11.233 11.586 -4.472 1.00 14.32 H new ATOM 0 HG22 ILE A 68 10.791 13.034 -3.537 1.00 14.32 H new ATOM 0 HG23 ILE A 68 9.865 11.528 -3.336 1.00 14.32 H new ATOM 0 HD11 ILE A 68 9.619 9.835 -7.382 1.00 3.44 H new ATOM 0 HD12 ILE A 68 10.455 11.396 -7.554 1.00 3.44 H new ATOM 0 HD13 ILE A 68 10.839 10.327 -6.184 1.00 3.44 H new ATOM 1081 N SER A 69 9.057 15.710 -4.434 1.00 74.21 N ATOM 1082 CA SER A 69 9.470 16.964 -3.777 1.00 21.01 C ATOM 1083 C SER A 69 8.292 17.591 -2.995 1.00 44.42 C ATOM 1084 O SER A 69 8.497 18.222 -1.957 1.00 24.34 O ATOM 1085 CB SER A 69 10.011 17.959 -4.840 1.00 71.30 C ATOM 1086 OG SER A 69 10.450 19.180 -4.257 1.00 1.10 O ATOM 0 H SER A 69 9.068 15.761 -5.453 1.00 74.21 H new ATOM 0 HA SER A 69 10.263 16.740 -3.063 1.00 21.01 H new ATOM 0 HB2 SER A 69 10.838 17.498 -5.380 1.00 71.30 H new ATOM 0 HB3 SER A 69 9.230 18.167 -5.571 1.00 71.30 H new ATOM 0 HG SER A 69 10.784 19.776 -4.959 1.00 1.10 H new ATOM 1092 N GLN A 70 7.054 17.386 -3.503 1.00 23.24 N ATOM 1093 CA GLN A 70 5.830 17.948 -2.906 1.00 15.42 C ATOM 1094 C GLN A 70 5.424 17.133 -1.667 1.00 31.22 C ATOM 1095 O GLN A 70 5.144 17.706 -0.605 1.00 23.14 O ATOM 1096 CB GLN A 70 4.694 17.977 -3.977 1.00 62.22 C ATOM 1097 CG GLN A 70 3.362 18.666 -3.559 1.00 3.53 C ATOM 1098 CD GLN A 70 2.411 17.822 -2.691 1.00 61.52 C ATOM 1099 OE1 GLN A 70 1.686 18.353 -1.854 1.00 35.10 O ATOM 1100 NE2 GLN A 70 2.366 16.514 -2.911 1.00 25.12 N ATOM 0 H GLN A 70 6.881 16.826 -4.338 1.00 23.24 H new ATOM 0 HA GLN A 70 6.014 18.971 -2.579 1.00 15.42 H new ATOM 0 HB2 GLN A 70 5.075 18.482 -4.865 1.00 62.22 H new ATOM 0 HB3 GLN A 70 4.471 16.950 -4.265 1.00 62.22 H new ATOM 0 HG2 GLN A 70 3.603 19.580 -3.016 1.00 3.53 H new ATOM 0 HG3 GLN A 70 2.830 18.963 -4.463 1.00 3.53 H new ATOM 0 HE21 GLN A 70 2.977 16.093 -3.611 1.00 25.12 H new ATOM 0 HE22 GLN A 70 1.720 15.929 -2.380 1.00 25.12 H new ATOM 1109 N ILE A 71 5.397 15.787 -1.822 1.00 74.12 N ATOM 1110 CA ILE A 71 4.951 14.854 -0.760 1.00 72.52 C ATOM 1111 C ILE A 71 5.911 14.885 0.449 1.00 50.32 C ATOM 1112 O ILE A 71 5.499 14.669 1.592 1.00 71.14 O ATOM 1113 CB ILE A 71 4.778 13.375 -1.290 1.00 14.44 C ATOM 1114 CG1 ILE A 71 3.973 12.510 -0.263 1.00 20.43 C ATOM 1115 CG2 ILE A 71 6.136 12.719 -1.641 1.00 50.33 C ATOM 1116 CD1 ILE A 71 3.861 11.033 -0.602 1.00 54.33 C ATOM 0 H ILE A 71 5.682 15.320 -2.683 1.00 74.12 H new ATOM 0 HA ILE A 71 3.969 15.200 -0.436 1.00 72.52 H new ATOM 0 HB ILE A 71 4.206 13.424 -2.216 1.00 14.44 H new ATOM 0 HG12 ILE A 71 4.444 12.606 0.715 1.00 20.43 H new ATOM 0 HG13 ILE A 71 2.968 12.923 -0.175 1.00 20.43 H new ATOM 0 HG21 ILE A 71 5.968 11.704 -2.001 1.00 50.33 H new ATOM 0 HG22 ILE A 71 6.632 13.302 -2.418 1.00 50.33 H new ATOM 0 HG23 ILE A 71 6.766 12.689 -0.752 1.00 50.33 H new ATOM 0 HD11 ILE A 71 3.285 10.525 0.172 1.00 54.33 H new ATOM 0 HD12 ILE A 71 3.359 10.917 -1.563 1.00 54.33 H new ATOM 0 HD13 ILE A 71 4.858 10.596 -0.658 1.00 54.33 H new ATOM 1128 N ASP A 72 7.190 15.197 0.160 1.00 22.15 N ATOM 1129 CA ASP A 72 8.254 15.347 1.168 1.00 50.14 C ATOM 1130 C ASP A 72 7.893 16.413 2.229 1.00 65.32 C ATOM 1131 O ASP A 72 8.308 16.321 3.385 1.00 74.53 O ATOM 1132 CB ASP A 72 9.576 15.725 0.450 1.00 32.41 C ATOM 1133 CG ASP A 72 10.756 15.981 1.412 1.00 63.35 C ATOM 1134 OD1 ASP A 72 11.331 15.007 1.938 1.00 34.31 O ATOM 1135 OD2 ASP A 72 11.121 17.157 1.639 1.00 51.53 O ATOM 0 H ASP A 72 7.516 15.354 -0.794 1.00 22.15 H new ATOM 0 HA ASP A 72 8.372 14.399 1.694 1.00 50.14 H new ATOM 0 HB2 ASP A 72 9.847 14.924 -0.238 1.00 32.41 H new ATOM 0 HB3 ASP A 72 9.409 16.619 -0.152 1.00 32.41 H new ATOM 1140 N LYS A 73 7.101 17.417 1.810 1.00 13.13 N ATOM 1141 CA LYS A 73 6.745 18.577 2.653 1.00 54.41 C ATOM 1142 C LYS A 73 5.498 18.305 3.520 1.00 70.20 C ATOM 1143 O LYS A 73 5.137 19.135 4.359 1.00 11.13 O ATOM 1144 CB LYS A 73 6.536 19.833 1.762 1.00 41.35 C ATOM 1145 CG LYS A 73 7.654 20.064 0.719 1.00 20.15 C ATOM 1146 CD LYS A 73 9.078 20.089 1.329 1.00 64.21 C ATOM 1147 CE LYS A 73 10.176 20.150 0.257 1.00 4.31 C ATOM 1148 NZ LYS A 73 11.528 20.034 0.864 1.00 34.42 N ATOM 0 H LYS A 73 6.689 17.448 0.877 1.00 13.13 H new ATOM 0 HA LYS A 73 7.572 18.758 3.339 1.00 54.41 H new ATOM 0 HB2 LYS A 73 5.583 19.741 1.242 1.00 41.35 H new ATOM 0 HB3 LYS A 73 6.466 20.712 2.403 1.00 41.35 H new ATOM 0 HG2 LYS A 73 7.604 19.278 -0.034 1.00 20.15 H new ATOM 0 HG3 LYS A 73 7.471 21.008 0.206 1.00 20.15 H new ATOM 0 HD2 LYS A 73 9.172 20.951 1.990 1.00 64.21 H new ATOM 0 HD3 LYS A 73 9.223 19.200 1.942 1.00 64.21 H new ATOM 0 HE2 LYS A 73 10.028 19.346 -0.464 1.00 4.31 H new ATOM 0 HE3 LYS A 73 10.100 21.089 -0.292 1.00 4.31 H new ATOM 0 HZ1 LYS A 73 12.251 20.230 0.142 1.00 34.42 H new ATOM 0 HZ2 LYS A 73 11.620 20.719 1.641 1.00 34.42 H new ATOM 0 HZ3 LYS A 73 11.661 19.071 1.234 1.00 34.42 H new ATOM 1162 N LEU A 74 4.852 17.144 3.315 1.00 5.12 N ATOM 1163 CA LEU A 74 3.716 16.684 4.144 1.00 32.43 C ATOM 1164 C LEU A 74 4.236 16.164 5.503 1.00 61.00 C ATOM 1165 O LEU A 74 5.274 15.500 5.560 1.00 21.34 O ATOM 1166 CB LEU A 74 2.884 15.594 3.388 1.00 54.05 C ATOM 1167 CG LEU A 74 1.802 16.105 2.365 1.00 31.21 C ATOM 1168 CD1 LEU A 74 0.693 16.913 3.077 1.00 43.35 C ATOM 1169 CD2 LEU A 74 2.428 16.927 1.212 1.00 22.22 C ATOM 0 H LEU A 74 5.101 16.494 2.569 1.00 5.12 H new ATOM 0 HA LEU A 74 3.049 17.525 4.335 1.00 32.43 H new ATOM 0 HB2 LEU A 74 3.579 14.948 2.852 1.00 54.05 H new ATOM 0 HB3 LEU A 74 2.382 14.975 4.131 1.00 54.05 H new ATOM 0 HG LEU A 74 1.347 15.219 1.921 1.00 31.21 H new ATOM 0 HD11 LEU A 74 -0.038 17.252 2.343 1.00 43.35 H new ATOM 0 HD12 LEU A 74 0.200 16.281 3.816 1.00 43.35 H new ATOM 0 HD13 LEU A 74 1.134 17.777 3.575 1.00 43.35 H new ATOM 0 HD21 LEU A 74 1.642 17.257 0.533 1.00 22.22 H new ATOM 0 HD22 LEU A 74 2.942 17.796 1.622 1.00 22.22 H new ATOM 0 HD23 LEU A 74 3.141 16.307 0.668 1.00 22.22 H new ATOM 1181 N GLU A 75 3.490 16.474 6.581 1.00 22.43 N ATOM 1182 CA GLU A 75 3.893 16.190 7.984 1.00 70.11 C ATOM 1183 C GLU A 75 3.755 14.700 8.338 1.00 71.44 C ATOM 1184 O GLU A 75 4.220 14.265 9.393 1.00 10.31 O ATOM 1185 CB GLU A 75 3.055 17.052 8.961 1.00 62.22 C ATOM 1186 CG GLU A 75 3.183 18.571 8.735 1.00 42.34 C ATOM 1187 CD GLU A 75 2.362 19.401 9.735 1.00 13.34 C ATOM 1188 OE1 GLU A 75 1.127 19.478 9.584 1.00 51.24 O ATOM 1189 OE2 GLU A 75 2.949 19.978 10.677 1.00 65.10 O ATOM 0 H GLU A 75 2.582 16.933 6.508 1.00 22.43 H new ATOM 0 HA GLU A 75 4.947 16.449 8.081 1.00 70.11 H new ATOM 0 HB2 GLU A 75 2.006 16.770 8.868 1.00 62.22 H new ATOM 0 HB3 GLU A 75 3.358 16.821 9.982 1.00 62.22 H new ATOM 0 HG2 GLU A 75 4.232 18.856 8.810 1.00 42.34 H new ATOM 0 HG3 GLU A 75 2.860 18.810 7.722 1.00 42.34 H new ATOM 1196 N ASP A 76 3.073 13.942 7.477 1.00 2.13 N ATOM 1197 CA ASP A 76 3.027 12.478 7.575 1.00 62.20 C ATOM 1198 C ASP A 76 4.355 11.885 7.092 1.00 20.42 C ATOM 1199 O ASP A 76 4.969 11.086 7.808 1.00 4.14 O ATOM 1200 CB ASP A 76 1.813 11.895 6.803 1.00 51.22 C ATOM 1201 CG ASP A 76 1.611 12.500 5.408 1.00 3.45 C ATOM 1202 OD1 ASP A 76 1.047 13.610 5.330 1.00 22.42 O ATOM 1203 OD2 ASP A 76 1.997 11.889 4.395 1.00 3.24 O ATOM 0 H ASP A 76 2.539 14.321 6.695 1.00 2.13 H new ATOM 0 HA ASP A 76 2.889 12.199 8.620 1.00 62.20 H new ATOM 0 HB2 ASP A 76 1.942 10.817 6.705 1.00 51.22 H new ATOM 0 HB3 ASP A 76 0.910 12.056 7.392 1.00 51.22 H new ATOM 1208 N VAL A 77 4.803 12.309 5.897 1.00 12.25 N ATOM 1209 CA VAL A 77 6.111 11.926 5.348 1.00 73.22 C ATOM 1210 C VAL A 77 7.235 12.606 6.150 1.00 61.33 C ATOM 1211 O VAL A 77 7.503 13.805 5.998 1.00 3.52 O ATOM 1212 CB VAL A 77 6.211 12.265 3.812 1.00 75.33 C ATOM 1213 CG1 VAL A 77 7.631 12.056 3.245 1.00 14.12 C ATOM 1214 CG2 VAL A 77 5.198 11.427 3.013 1.00 1.30 C ATOM 0 H VAL A 77 4.267 12.926 5.287 1.00 12.25 H new ATOM 0 HA VAL A 77 6.225 10.846 5.442 1.00 73.22 H new ATOM 0 HB VAL A 77 5.976 13.324 3.708 1.00 75.33 H new ATOM 0 HG11 VAL A 77 7.639 12.305 2.184 1.00 14.12 H new ATOM 0 HG12 VAL A 77 8.333 12.701 3.774 1.00 14.12 H new ATOM 0 HG13 VAL A 77 7.925 11.015 3.376 1.00 14.12 H new ATOM 0 HG21 VAL A 77 5.278 11.672 1.954 1.00 1.30 H new ATOM 0 HG22 VAL A 77 5.408 10.367 3.158 1.00 1.30 H new ATOM 0 HG23 VAL A 77 4.189 11.648 3.361 1.00 1.30 H new ATOM 1224 N VAL A 78 7.845 11.822 7.047 1.00 43.22 N ATOM 1225 CA VAL A 78 8.970 12.264 7.888 1.00 44.34 C ATOM 1226 C VAL A 78 10.237 12.391 7.023 1.00 54.44 C ATOM 1227 O VAL A 78 11.024 13.334 7.173 1.00 71.43 O ATOM 1228 CB VAL A 78 9.239 11.260 9.079 1.00 10.33 C ATOM 1229 CG1 VAL A 78 10.181 11.875 10.137 1.00 24.02 C ATOM 1230 CG2 VAL A 78 7.917 10.775 9.716 1.00 11.22 C ATOM 0 H VAL A 78 7.571 10.854 7.213 1.00 43.22 H new ATOM 0 HA VAL A 78 8.710 13.231 8.318 1.00 44.34 H new ATOM 0 HB VAL A 78 9.743 10.388 8.662 1.00 10.33 H new ATOM 0 HG11 VAL A 78 10.344 11.157 10.941 1.00 24.02 H new ATOM 0 HG12 VAL A 78 11.136 12.123 9.674 1.00 24.02 H new ATOM 0 HG13 VAL A 78 9.729 12.779 10.544 1.00 24.02 H new ATOM 0 HG21 VAL A 78 8.137 10.086 10.532 1.00 11.22 H new ATOM 0 HG22 VAL A 78 7.364 11.631 10.103 1.00 11.22 H new ATOM 0 HG23 VAL A 78 7.316 10.265 8.963 1.00 11.22 H new ATOM 1240 N LYS A 79 10.401 11.408 6.119 1.00 3.21 N ATOM 1241 CA LYS A 79 11.509 11.326 5.144 1.00 4.51 C ATOM 1242 C LYS A 79 10.977 10.717 3.838 1.00 23.41 C ATOM 1243 O LYS A 79 10.027 9.935 3.864 1.00 12.04 O ATOM 1244 CB LYS A 79 12.679 10.446 5.682 1.00 24.50 C ATOM 1245 CG LYS A 79 13.342 10.964 6.977 1.00 53.33 C ATOM 1246 CD LYS A 79 14.390 9.987 7.562 1.00 24.10 C ATOM 1247 CE LYS A 79 15.071 10.546 8.824 1.00 3.05 C ATOM 1248 NZ LYS A 79 15.774 11.832 8.556 1.00 40.03 N ATOM 0 H LYS A 79 9.750 10.627 6.043 1.00 3.21 H new ATOM 0 HA LYS A 79 11.893 12.332 4.973 1.00 4.51 H new ATOM 0 HB2 LYS A 79 12.303 9.439 5.862 1.00 24.50 H new ATOM 0 HB3 LYS A 79 13.442 10.368 4.907 1.00 24.50 H new ATOM 0 HG2 LYS A 79 13.822 11.921 6.773 1.00 53.33 H new ATOM 0 HG3 LYS A 79 12.570 11.147 7.724 1.00 53.33 H new ATOM 0 HD2 LYS A 79 13.906 9.040 7.802 1.00 24.10 H new ATOM 0 HD3 LYS A 79 15.147 9.775 6.807 1.00 24.10 H new ATOM 0 HE2 LYS A 79 14.323 10.697 9.603 1.00 3.05 H new ATOM 0 HE3 LYS A 79 15.785 9.815 9.205 1.00 3.05 H new ATOM 0 HZ1 LYS A 79 16.383 12.070 9.365 1.00 40.03 H new ATOM 0 HZ2 LYS A 79 16.357 11.737 7.700 1.00 40.03 H new ATOM 0 HZ3 LYS A 79 15.074 12.588 8.415 1.00 40.03 H new ATOM 1262 N VAL A 80 11.588 11.084 2.701 1.00 24.14 N ATOM 1263 CA VAL A 80 11.306 10.438 1.397 1.00 55.02 C ATOM 1264 C VAL A 80 12.642 10.040 0.741 1.00 1.14 C ATOM 1265 O VAL A 80 13.653 10.747 0.884 1.00 21.15 O ATOM 1266 CB VAL A 80 10.449 11.358 0.432 1.00 21.13 C ATOM 1267 CG1 VAL A 80 11.268 12.513 -0.183 1.00 41.22 C ATOM 1268 CG2 VAL A 80 9.738 10.520 -0.661 1.00 71.23 C ATOM 0 H VAL A 80 12.285 11.828 2.652 1.00 24.14 H new ATOM 0 HA VAL A 80 10.701 9.550 1.579 1.00 55.02 H new ATOM 0 HB VAL A 80 9.683 11.825 1.051 1.00 21.13 H new ATOM 0 HG11 VAL A 80 10.627 13.107 -0.834 1.00 41.22 H new ATOM 0 HG12 VAL A 80 11.661 13.144 0.614 1.00 41.22 H new ATOM 0 HG13 VAL A 80 12.095 12.104 -0.763 1.00 41.22 H new ATOM 0 HG21 VAL A 80 9.159 11.180 -1.306 1.00 71.23 H new ATOM 0 HG22 VAL A 80 10.483 9.992 -1.257 1.00 71.23 H new ATOM 0 HG23 VAL A 80 9.072 9.797 -0.190 1.00 71.23 H new ATOM 1278 N GLN A 81 12.648 8.889 0.056 1.00 2.50 N ATOM 1279 CA GLN A 81 13.842 8.334 -0.611 1.00 54.41 C ATOM 1280 C GLN A 81 13.441 7.824 -1.999 1.00 41.43 C ATOM 1281 O GLN A 81 12.515 7.021 -2.131 1.00 44.03 O ATOM 1282 CB GLN A 81 14.446 7.177 0.238 1.00 41.34 C ATOM 1283 CG GLN A 81 14.966 7.595 1.640 1.00 52.45 C ATOM 1284 CD GLN A 81 14.740 6.532 2.713 1.00 15.13 C ATOM 1285 OE1 GLN A 81 13.720 6.541 3.413 1.00 33.22 O ATOM 1286 NE2 GLN A 81 15.666 5.594 2.831 1.00 5.13 N ATOM 0 H GLN A 81 11.817 8.308 -0.054 1.00 2.50 H new ATOM 0 HA GLN A 81 14.600 9.111 -0.712 1.00 54.41 H new ATOM 0 HB2 GLN A 81 13.687 6.404 0.364 1.00 41.34 H new ATOM 0 HB3 GLN A 81 15.268 6.729 -0.319 1.00 41.34 H new ATOM 0 HG2 GLN A 81 16.032 7.813 1.574 1.00 52.45 H new ATOM 0 HG3 GLN A 81 14.470 8.517 1.943 1.00 52.45 H new ATOM 0 HE21 GLN A 81 16.495 5.618 2.237 1.00 5.13 H new ATOM 0 HE22 GLN A 81 15.551 4.847 3.516 1.00 5.13 H new ATOM 1295 N ARG A 82 14.125 8.331 -3.024 1.00 65.24 N ATOM 1296 CA ARG A 82 13.933 7.918 -4.416 1.00 63.35 C ATOM 1297 C ARG A 82 15.146 7.077 -4.825 1.00 13.11 C ATOM 1298 O ARG A 82 16.215 7.612 -5.121 1.00 73.13 O ATOM 1299 CB ARG A 82 13.725 9.195 -5.294 1.00 13.45 C ATOM 1300 CG ARG A 82 13.553 8.982 -6.830 1.00 40.43 C ATOM 1301 CD ARG A 82 14.875 9.113 -7.623 1.00 61.32 C ATOM 1302 NE ARG A 82 14.655 9.186 -9.079 1.00 21.33 N ATOM 1303 CZ ARG A 82 14.682 10.316 -9.803 1.00 4.40 C ATOM 1304 NH1 ARG A 82 14.911 11.495 -9.226 1.00 13.13 N ATOM 1305 NH2 ARG A 82 14.489 10.262 -11.112 1.00 72.53 N ATOM 0 H ARG A 82 14.839 9.051 -2.910 1.00 65.24 H new ATOM 0 HA ARG A 82 13.045 7.300 -4.553 1.00 63.35 H new ATOM 0 HB2 ARG A 82 12.844 9.719 -4.925 1.00 13.45 H new ATOM 0 HB3 ARG A 82 14.578 9.855 -5.138 1.00 13.45 H new ATOM 0 HG2 ARG A 82 13.129 7.993 -7.006 1.00 40.43 H new ATOM 0 HG3 ARG A 82 12.836 9.709 -7.212 1.00 40.43 H new ATOM 0 HD2 ARG A 82 15.405 10.006 -7.294 1.00 61.32 H new ATOM 0 HD3 ARG A 82 15.516 8.261 -7.398 1.00 61.32 H new ATOM 0 HE ARG A 82 14.468 8.313 -9.573 1.00 21.33 H new ATOM 0 HH11 ARG A 82 15.069 11.548 -8.220 1.00 13.13 H new ATOM 0 HH12 ARG A 82 14.928 12.344 -9.791 1.00 13.13 H new ATOM 0 HH21 ARG A 82 14.321 9.364 -11.566 1.00 72.53 H new ATOM 0 HH22 ARG A 82 14.509 11.118 -11.666 1.00 72.53 H new ATOM 1319 N ASN A 83 14.986 5.749 -4.754 1.00 45.05 N ATOM 1320 CA ASN A 83 16.063 4.786 -5.042 1.00 24.34 C ATOM 1321 C ASN A 83 15.707 4.015 -6.315 1.00 22.41 C ATOM 1322 O ASN A 83 14.734 3.278 -6.327 1.00 1.12 O ATOM 1323 CB ASN A 83 16.244 3.793 -3.847 1.00 32.45 C ATOM 1324 CG ASN A 83 16.768 4.430 -2.548 1.00 64.01 C ATOM 1325 OD1 ASN A 83 16.529 5.603 -2.261 1.00 35.42 O ATOM 1326 ND2 ASN A 83 17.476 3.647 -1.740 1.00 54.02 N ATOM 0 H ASN A 83 14.103 5.308 -4.494 1.00 45.05 H new ATOM 0 HA ASN A 83 17.001 5.323 -5.183 1.00 24.34 H new ATOM 0 HB2 ASN A 83 15.285 3.318 -3.640 1.00 32.45 H new ATOM 0 HB3 ASN A 83 16.932 3.004 -4.151 1.00 32.45 H new ATOM 0 HD21 ASN A 83 17.835 4.015 -0.859 1.00 54.02 H new ATOM 0 HD22 ASN A 83 17.660 2.678 -2.001 1.00 54.02 H new ATOM 1333 N GLN A 84 16.483 4.199 -7.392 1.00 43.30 N ATOM 1334 CA GLN A 84 16.320 3.401 -8.622 1.00 44.41 C ATOM 1335 C GLN A 84 17.175 2.122 -8.471 1.00 61.11 C ATOM 1336 O GLN A 84 18.408 2.155 -8.562 1.00 51.54 O ATOM 1337 CB GLN A 84 16.700 4.231 -9.894 1.00 41.11 C ATOM 1338 CG GLN A 84 18.105 4.881 -9.882 1.00 11.12 C ATOM 1339 CD GLN A 84 18.500 5.571 -11.196 1.00 73.34 C ATOM 1340 OE1 GLN A 84 19.251 6.549 -11.200 1.00 21.20 O ATOM 1341 NE2 GLN A 84 18.034 5.049 -12.320 1.00 73.40 N ATOM 0 H GLN A 84 17.230 4.892 -7.440 1.00 43.30 H new ATOM 0 HA GLN A 84 15.276 3.120 -8.759 1.00 44.41 H new ATOM 0 HB2 GLN A 84 16.630 3.578 -10.764 1.00 41.11 H new ATOM 0 HB3 GLN A 84 15.958 5.018 -10.026 1.00 41.11 H new ATOM 0 HG2 GLN A 84 18.146 5.613 -9.076 1.00 11.12 H new ATOM 0 HG3 GLN A 84 18.844 4.113 -9.653 1.00 11.12 H new ATOM 0 HE21 GLN A 84 17.414 4.240 -12.288 1.00 73.40 H new ATOM 0 HE22 GLN A 84 18.295 5.456 -13.218 1.00 73.40 H new ATOM 1350 N SER A 85 16.504 1.001 -8.163 1.00 0.25 N ATOM 1351 CA SER A 85 17.182 -0.253 -7.811 1.00 45.33 C ATOM 1352 C SER A 85 16.345 -1.462 -8.248 1.00 50.52 C ATOM 1353 O SER A 85 15.219 -1.312 -8.750 1.00 61.32 O ATOM 1354 CB SER A 85 17.457 -0.274 -6.283 1.00 51.22 C ATOM 1355 OG SER A 85 18.295 -1.357 -5.907 1.00 5.51 O ATOM 0 H SER A 85 15.486 0.940 -8.151 1.00 0.25 H new ATOM 0 HA SER A 85 18.134 -0.313 -8.338 1.00 45.33 H new ATOM 0 HB2 SER A 85 17.924 0.665 -5.986 1.00 51.22 H new ATOM 0 HB3 SER A 85 16.511 -0.344 -5.746 1.00 51.22 H new ATOM 0 HG SER A 85 18.445 -1.334 -4.939 1.00 5.51 H new ATOM 1361 N ASP A 86 16.926 -2.656 -8.053 1.00 75.21 N ATOM 1362 CA ASP A 86 16.304 -3.936 -8.411 1.00 31.35 C ATOM 1363 C ASP A 86 15.075 -4.212 -7.494 1.00 24.21 C ATOM 1364 O ASP A 86 15.170 -3.995 -6.279 1.00 25.44 O ATOM 1365 CB ASP A 86 17.355 -5.078 -8.297 1.00 24.12 C ATOM 1366 CG ASP A 86 16.863 -6.401 -8.907 1.00 52.23 C ATOM 1367 OD1 ASP A 86 16.165 -7.166 -8.215 1.00 62.15 O ATOM 1368 OD2 ASP A 86 17.151 -6.673 -10.090 1.00 64.34 O ATOM 0 H ASP A 86 17.852 -2.759 -7.637 1.00 75.21 H new ATOM 0 HA ASP A 86 15.951 -3.892 -9.441 1.00 31.35 H new ATOM 0 HB2 ASP A 86 18.274 -4.772 -8.797 1.00 24.12 H new ATOM 0 HB3 ASP A 86 17.601 -5.236 -7.247 1.00 24.12 H new ATOM 1373 N PRO A 87 13.913 -4.693 -8.070 1.00 70.41 N ATOM 1374 CA PRO A 87 12.660 -4.989 -7.318 1.00 72.14 C ATOM 1375 C PRO A 87 12.854 -5.770 -5.995 1.00 32.13 C ATOM 1376 O PRO A 87 12.186 -5.470 -5.010 1.00 21.12 O ATOM 1377 CB PRO A 87 11.839 -5.824 -8.325 1.00 44.20 C ATOM 1378 CG PRO A 87 12.245 -5.292 -9.658 1.00 13.15 C ATOM 1379 CD PRO A 87 13.713 -4.938 -9.523 1.00 31.23 C ATOM 0 HA PRO A 87 12.186 -4.065 -6.988 1.00 72.14 H new ATOM 0 HB2 PRO A 87 12.062 -6.887 -8.236 1.00 44.20 H new ATOM 0 HB3 PRO A 87 10.768 -5.708 -8.159 1.00 44.20 H new ATOM 0 HG2 PRO A 87 12.091 -6.035 -10.441 1.00 13.15 H new ATOM 0 HG3 PRO A 87 11.654 -4.417 -9.928 1.00 13.15 H new ATOM 0 HD2 PRO A 87 14.350 -5.748 -9.879 1.00 31.23 H new ATOM 0 HD3 PRO A 87 13.963 -4.055 -10.111 1.00 31.23 H new ATOM 1387 N THR A 88 13.829 -6.719 -5.969 1.00 65.25 N ATOM 1388 CA THR A 88 14.065 -7.639 -4.816 1.00 0.24 C ATOM 1389 C THR A 88 14.426 -6.914 -3.495 1.00 22.31 C ATOM 1390 O THR A 88 14.540 -7.568 -2.449 1.00 34.34 O ATOM 1391 CB THR A 88 15.180 -8.686 -5.146 1.00 12.04 C ATOM 1392 OG1 THR A 88 16.409 -8.011 -5.463 1.00 64.21 O ATOM 1393 CG2 THR A 88 14.792 -9.603 -6.316 1.00 34.04 C ATOM 0 H THR A 88 14.474 -6.870 -6.745 1.00 65.25 H new ATOM 0 HA THR A 88 13.111 -8.141 -4.658 1.00 0.24 H new ATOM 0 HB THR A 88 15.307 -9.308 -4.260 1.00 12.04 H new ATOM 0 HG1 THR A 88 16.369 -7.674 -6.382 1.00 64.21 H new ATOM 0 HG21 THR A 88 15.598 -10.311 -6.506 1.00 34.04 H new ATOM 0 HG22 THR A 88 13.882 -10.148 -6.065 1.00 34.04 H new ATOM 0 HG23 THR A 88 14.620 -9.001 -7.208 1.00 34.04 H new ATOM 1401 N MET A 89 14.595 -5.581 -3.558 1.00 31.44 N ATOM 1402 CA MET A 89 14.707 -4.715 -2.376 1.00 75.35 C ATOM 1403 C MET A 89 13.533 -4.951 -1.390 1.00 75.32 C ATOM 1404 O MET A 89 13.769 -5.083 -0.181 1.00 42.53 O ATOM 1405 CB MET A 89 14.757 -3.226 -2.813 1.00 50.24 C ATOM 1406 CG MET A 89 14.787 -2.218 -1.650 1.00 12.30 C ATOM 1407 SD MET A 89 16.211 -2.413 -0.562 1.00 32.35 S ATOM 1408 CE MET A 89 15.904 -1.120 0.652 1.00 31.55 C ATOM 0 H MET A 89 14.658 -5.072 -4.440 1.00 31.44 H new ATOM 0 HA MET A 89 15.632 -4.966 -1.856 1.00 75.35 H new ATOM 0 HB2 MET A 89 15.640 -3.072 -3.433 1.00 50.24 H new ATOM 0 HB3 MET A 89 13.889 -3.015 -3.437 1.00 50.24 H new ATOM 0 HG2 MET A 89 14.787 -1.207 -2.057 1.00 12.30 H new ATOM 0 HG3 MET A 89 13.875 -2.326 -1.063 1.00 12.30 H new ATOM 0 HE1 MET A 89 16.704 -1.118 1.392 1.00 31.55 H new ATOM 0 HE2 MET A 89 15.870 -0.152 0.152 1.00 31.55 H new ATOM 0 HE3 MET A 89 14.951 -1.305 1.148 1.00 31.55 H new ATOM 1418 N PHE A 90 12.276 -5.060 -1.931 1.00 63.24 N ATOM 1419 CA PHE A 90 11.064 -5.246 -1.092 1.00 31.22 C ATOM 1420 C PHE A 90 11.161 -6.584 -0.315 1.00 2.50 C ATOM 1421 O PHE A 90 10.883 -6.630 0.878 1.00 72.31 O ATOM 1422 CB PHE A 90 9.715 -5.144 -1.910 1.00 44.45 C ATOM 1423 CG PHE A 90 9.261 -6.414 -2.665 1.00 50.44 C ATOM 1424 CD1 PHE A 90 8.455 -7.383 -2.041 1.00 22.24 C ATOM 1425 CD2 PHE A 90 9.648 -6.649 -3.981 1.00 3.43 C ATOM 1426 CE1 PHE A 90 8.071 -8.531 -2.711 1.00 64.42 C ATOM 1427 CE2 PHE A 90 9.258 -7.797 -4.651 1.00 5.30 C ATOM 1428 CZ PHE A 90 8.475 -8.735 -4.013 1.00 23.52 C ATOM 0 H PHE A 90 12.087 -5.022 -2.933 1.00 63.24 H new ATOM 0 HA PHE A 90 11.033 -4.421 -0.380 1.00 31.22 H new ATOM 0 HB2 PHE A 90 8.921 -4.856 -1.221 1.00 44.45 H new ATOM 0 HB3 PHE A 90 9.817 -4.336 -2.635 1.00 44.45 H new ATOM 0 HD1 PHE A 90 8.131 -7.229 -1.023 1.00 22.24 H new ATOM 0 HD2 PHE A 90 10.264 -5.922 -4.490 1.00 3.43 H new ATOM 0 HE1 PHE A 90 7.455 -9.266 -2.214 1.00 64.42 H new ATOM 0 HE2 PHE A 90 9.567 -7.957 -5.673 1.00 5.30 H new ATOM 0 HZ PHE A 90 8.177 -9.632 -4.535 1.00 23.52 H new ATOM 1438 N ASN A 91 11.619 -7.646 -1.011 1.00 53.34 N ATOM 1439 CA ASN A 91 11.785 -8.997 -0.427 1.00 2.10 C ATOM 1440 C ASN A 91 12.872 -8.963 0.675 1.00 22.11 C ATOM 1441 O ASN A 91 12.723 -9.601 1.736 1.00 45.32 O ATOM 1442 CB ASN A 91 12.167 -10.008 -1.556 1.00 31.23 C ATOM 1443 CG ASN A 91 12.160 -11.491 -1.136 1.00 30.14 C ATOM 1444 OD1 ASN A 91 12.344 -11.851 0.023 1.00 21.35 O ATOM 1445 ND2 ASN A 91 11.978 -12.371 -2.099 1.00 24.42 N ATOM 0 H ASN A 91 11.885 -7.592 -1.994 1.00 53.34 H new ATOM 0 HA ASN A 91 10.848 -9.319 0.028 1.00 2.10 H new ATOM 0 HB2 ASN A 91 11.474 -9.879 -2.388 1.00 31.23 H new ATOM 0 HB3 ASN A 91 13.161 -9.756 -1.927 1.00 31.23 H new ATOM 0 HD21 ASN A 91 11.989 -13.369 -1.887 1.00 24.42 H new ATOM 0 HD22 ASN A 91 11.826 -12.055 -3.057 1.00 24.42 H new ATOM 1452 N LYS A 92 13.938 -8.171 0.399 1.00 41.02 N ATOM 1453 CA LYS A 92 15.121 -8.033 1.276 1.00 43.31 C ATOM 1454 C LYS A 92 14.703 -7.635 2.701 1.00 34.32 C ATOM 1455 O LYS A 92 14.998 -8.360 3.648 1.00 2.33 O ATOM 1456 CB LYS A 92 16.152 -7.013 0.656 1.00 64.24 C ATOM 1457 CG LYS A 92 17.524 -6.865 1.401 1.00 32.30 C ATOM 1458 CD LYS A 92 17.488 -5.888 2.610 1.00 31.45 C ATOM 1459 CE LYS A 92 18.814 -5.832 3.388 1.00 61.35 C ATOM 1460 NZ LYS A 92 19.936 -5.332 2.555 1.00 64.54 N ATOM 0 H LYS A 92 13.998 -7.606 -0.448 1.00 41.02 H new ATOM 0 HA LYS A 92 15.619 -9.000 1.346 1.00 43.31 H new ATOM 0 HB2 LYS A 92 16.353 -7.314 -0.372 1.00 64.24 H new ATOM 0 HB3 LYS A 92 15.679 -6.032 0.615 1.00 64.24 H new ATOM 0 HG2 LYS A 92 17.843 -7.847 1.751 1.00 32.30 H new ATOM 0 HG3 LYS A 92 18.275 -6.520 0.691 1.00 32.30 H new ATOM 0 HD2 LYS A 92 17.242 -4.888 2.253 1.00 31.45 H new ATOM 0 HD3 LYS A 92 16.690 -6.190 3.288 1.00 31.45 H new ATOM 0 HE2 LYS A 92 18.695 -5.186 4.258 1.00 61.35 H new ATOM 0 HE3 LYS A 92 19.056 -6.827 3.760 1.00 61.35 H new ATOM 0 HZ1 LYS A 92 20.804 -5.296 3.127 1.00 64.54 H new ATOM 0 HZ2 LYS A 92 20.080 -5.971 1.747 1.00 64.54 H new ATOM 0 HZ3 LYS A 92 19.711 -4.378 2.206 1.00 64.54 H new ATOM 1474 N ILE A 93 14.011 -6.490 2.854 1.00 21.44 N ATOM 1475 CA ILE A 93 13.630 -5.996 4.203 1.00 3.04 C ATOM 1476 C ILE A 93 12.419 -6.760 4.782 1.00 4.21 C ATOM 1477 O ILE A 93 12.271 -6.847 6.005 1.00 11.24 O ATOM 1478 CB ILE A 93 13.352 -4.448 4.267 1.00 75.54 C ATOM 1479 CG1 ILE A 93 12.040 -4.037 3.528 1.00 51.23 C ATOM 1480 CG2 ILE A 93 14.565 -3.639 3.749 1.00 10.12 C ATOM 1481 CD1 ILE A 93 12.159 -3.813 2.037 1.00 74.52 C ATOM 0 H ILE A 93 13.707 -5.896 2.082 1.00 21.44 H new ATOM 0 HA ILE A 93 14.509 -6.191 4.817 1.00 3.04 H new ATOM 0 HB ILE A 93 13.203 -4.204 5.319 1.00 75.54 H new ATOM 0 HG12 ILE A 93 11.292 -4.811 3.700 1.00 51.23 H new ATOM 0 HG13 ILE A 93 11.662 -3.122 3.983 1.00 51.23 H new ATOM 0 HG21 ILE A 93 14.343 -2.573 3.806 1.00 10.12 H new ATOM 0 HG22 ILE A 93 15.439 -3.860 4.362 1.00 10.12 H new ATOM 0 HG23 ILE A 93 14.769 -3.912 2.714 1.00 10.12 H new ATOM 0 HD11 ILE A 93 11.187 -3.532 1.632 1.00 74.52 H new ATOM 0 HD12 ILE A 93 12.876 -3.015 1.845 1.00 74.52 H new ATOM 0 HD13 ILE A 93 12.500 -4.730 1.557 1.00 74.52 H new ATOM 1493 N ALA A 94 11.551 -7.289 3.889 1.00 61.53 N ATOM 1494 CA ALA A 94 10.307 -7.993 4.283 1.00 71.34 C ATOM 1495 C ALA A 94 10.592 -9.230 5.154 1.00 60.33 C ATOM 1496 O ALA A 94 9.857 -9.494 6.113 1.00 61.31 O ATOM 1497 CB ALA A 94 9.507 -8.391 3.038 1.00 22.44 C ATOM 0 H ALA A 94 11.691 -7.241 2.880 1.00 61.53 H new ATOM 0 HA ALA A 94 9.717 -7.302 4.885 1.00 71.34 H new ATOM 0 HB1 ALA A 94 8.596 -8.907 3.341 1.00 22.44 H new ATOM 0 HB2 ALA A 94 9.246 -7.497 2.472 1.00 22.44 H new ATOM 0 HB3 ALA A 94 10.109 -9.053 2.415 1.00 22.44 H new ATOM 1503 N VAL A 95 11.677 -9.966 4.818 1.00 15.23 N ATOM 1504 CA VAL A 95 12.108 -11.150 5.598 1.00 74.32 C ATOM 1505 C VAL A 95 12.635 -10.732 6.997 1.00 12.44 C ATOM 1506 O VAL A 95 12.442 -11.451 7.981 1.00 22.25 O ATOM 1507 CB VAL A 95 13.182 -12.023 4.829 1.00 34.54 C ATOM 1508 CG1 VAL A 95 14.521 -11.277 4.674 1.00 22.12 C ATOM 1509 CG2 VAL A 95 13.381 -13.407 5.504 1.00 5.31 C ATOM 0 H VAL A 95 12.269 -9.761 4.013 1.00 15.23 H new ATOM 0 HA VAL A 95 11.226 -11.777 5.732 1.00 74.32 H new ATOM 0 HB VAL A 95 12.792 -12.199 3.827 1.00 34.54 H new ATOM 0 HG11 VAL A 95 15.231 -11.910 4.141 1.00 22.12 H new ATOM 0 HG12 VAL A 95 14.362 -10.357 4.111 1.00 22.12 H new ATOM 0 HG13 VAL A 95 14.919 -11.035 5.660 1.00 22.12 H new ATOM 0 HG21 VAL A 95 14.125 -13.979 4.949 1.00 5.31 H new ATOM 0 HG22 VAL A 95 13.722 -13.266 6.529 1.00 5.31 H new ATOM 0 HG23 VAL A 95 12.435 -13.949 5.508 1.00 5.31 H new ATOM 1519 N PHE A 96 13.272 -9.538 7.081 1.00 54.21 N ATOM 1520 CA PHE A 96 13.756 -8.976 8.363 1.00 50.32 C ATOM 1521 C PHE A 96 12.588 -8.407 9.195 1.00 60.32 C ATOM 1522 O PHE A 96 12.736 -8.198 10.407 1.00 51.12 O ATOM 1523 CB PHE A 96 14.837 -7.890 8.120 1.00 14.33 C ATOM 1524 CG PHE A 96 16.134 -8.431 7.515 1.00 63.14 C ATOM 1525 CD1 PHE A 96 16.939 -9.311 8.234 1.00 60.01 C ATOM 1526 CD2 PHE A 96 16.538 -8.072 6.230 1.00 23.22 C ATOM 1527 CE1 PHE A 96 18.106 -9.813 7.688 1.00 52.52 C ATOM 1528 CE2 PHE A 96 17.708 -8.577 5.683 1.00 31.23 C ATOM 1529 CZ PHE A 96 18.490 -9.446 6.413 1.00 11.24 C ATOM 0 H PHE A 96 13.462 -8.946 6.273 1.00 54.21 H new ATOM 0 HA PHE A 96 14.211 -9.787 8.931 1.00 50.32 H new ATOM 0 HB2 PHE A 96 14.429 -7.127 7.457 1.00 14.33 H new ATOM 0 HB3 PHE A 96 15.066 -7.401 9.067 1.00 14.33 H new ATOM 0 HD1 PHE A 96 16.648 -9.605 9.232 1.00 60.01 H new ATOM 0 HD2 PHE A 96 15.931 -7.391 5.652 1.00 23.22 H new ATOM 0 HE1 PHE A 96 18.719 -10.494 8.260 1.00 52.52 H new ATOM 0 HE2 PHE A 96 18.006 -8.290 4.686 1.00 31.23 H new ATOM 0 HZ PHE A 96 19.402 -9.839 5.989 1.00 11.24 H new ATOM 1692 N ASP B 9 -5.551 -8.918 16.946 1.00 43.05 N ATOM 1693 CA ASP B 9 -6.178 -7.581 16.980 1.00 44.32 C ATOM 1694 C ASP B 9 -6.326 -7.046 15.553 1.00 21.11 C ATOM 1695 O ASP B 9 -7.407 -6.589 15.145 1.00 73.13 O ATOM 1696 CB ASP B 9 -5.324 -6.611 17.836 1.00 53.55 C ATOM 1697 CG ASP B 9 -5.960 -5.224 18.020 1.00 75.33 C ATOM 1698 OD1 ASP B 9 -6.795 -5.065 18.934 1.00 65.13 O ATOM 1699 OD2 ASP B 9 -5.639 -4.292 17.254 1.00 15.11 O ATOM 0 HA ASP B 9 -7.166 -7.660 17.433 1.00 44.32 H new ATOM 0 HB2 ASP B 9 -5.157 -7.057 18.816 1.00 53.55 H new ATOM 0 HB3 ASP B 9 -4.346 -6.493 17.369 1.00 53.55 H new ATOM 1704 N ASN B 10 -5.211 -7.122 14.810 1.00 13.21 N ATOM 1705 CA ASN B 10 -5.166 -6.777 13.386 1.00 64.01 C ATOM 1706 C ASN B 10 -5.680 -7.959 12.543 1.00 32.32 C ATOM 1707 O ASN B 10 -5.782 -9.097 13.027 1.00 64.35 O ATOM 1708 CB ASN B 10 -3.726 -6.362 12.950 1.00 34.25 C ATOM 1709 CG ASN B 10 -2.672 -7.484 13.029 1.00 13.45 C ATOM 1710 OD1 ASN B 10 -2.738 -8.375 13.880 1.00 34.42 O ATOM 1711 ND2 ASN B 10 -1.675 -7.432 12.154 1.00 4.43 N ATOM 0 H ASN B 10 -4.312 -7.426 15.185 1.00 13.21 H new ATOM 0 HA ASN B 10 -5.816 -5.919 13.217 1.00 64.01 H new ATOM 0 HB2 ASN B 10 -3.765 -5.993 11.925 1.00 34.25 H new ATOM 0 HB3 ASN B 10 -3.398 -5.532 13.576 1.00 34.25 H new ATOM 0 HD21 ASN B 10 -0.940 -8.139 12.175 1.00 4.43 H new ATOM 0 HD22 ASN B 10 -1.644 -6.685 11.460 1.00 4.43 H new ATOM 1718 N VAL B 11 -6.006 -7.676 11.275 1.00 51.12 N ATOM 1719 CA VAL B 11 -6.488 -8.683 10.313 1.00 63.22 C ATOM 1720 C VAL B 11 -5.643 -8.608 9.049 1.00 20.31 C ATOM 1721 O VAL B 11 -5.108 -7.556 8.711 1.00 74.12 O ATOM 1722 CB VAL B 11 -8.018 -8.530 9.935 1.00 11.11 C ATOM 1723 CG1 VAL B 11 -8.909 -8.658 11.184 1.00 61.31 C ATOM 1724 CG2 VAL B 11 -8.306 -7.217 9.155 1.00 4.04 C ATOM 0 H VAL B 11 -5.943 -6.737 10.883 1.00 51.12 H new ATOM 0 HA VAL B 11 -6.390 -9.653 10.800 1.00 63.22 H new ATOM 0 HB VAL B 11 -8.267 -9.349 9.260 1.00 11.11 H new ATOM 0 HG11 VAL B 11 -9.955 -8.549 10.897 1.00 61.31 H new ATOM 0 HG12 VAL B 11 -8.758 -9.636 11.640 1.00 61.31 H new ATOM 0 HG13 VAL B 11 -8.646 -7.879 11.900 1.00 61.31 H new ATOM 0 HG21 VAL B 11 -9.369 -7.159 8.919 1.00 4.04 H new ATOM 0 HG22 VAL B 11 -8.023 -6.361 9.767 1.00 4.04 H new ATOM 0 HG23 VAL B 11 -7.728 -7.209 8.231 1.00 4.04 H new ATOM 1734 N ILE B 12 -5.526 -9.746 8.388 1.00 31.24 N ATOM 1735 CA ILE B 12 -4.841 -9.892 7.112 1.00 71.22 C ATOM 1736 C ILE B 12 -5.901 -9.832 5.992 1.00 73.53 C ATOM 1737 O ILE B 12 -6.527 -10.846 5.650 1.00 22.32 O ATOM 1738 CB ILE B 12 -4.063 -11.259 7.073 1.00 4.02 C ATOM 1739 CG1 ILE B 12 -3.165 -11.458 8.347 1.00 64.42 C ATOM 1740 CG2 ILE B 12 -3.229 -11.372 5.792 1.00 34.42 C ATOM 1741 CD1 ILE B 12 -1.997 -10.497 8.490 1.00 44.33 C ATOM 0 H ILE B 12 -5.917 -10.622 8.734 1.00 31.24 H new ATOM 0 HA ILE B 12 -4.114 -9.092 6.974 1.00 71.22 H new ATOM 0 HB ILE B 12 -4.805 -12.057 7.073 1.00 4.02 H new ATOM 0 HG12 ILE B 12 -3.796 -11.367 9.231 1.00 64.42 H new ATOM 0 HG13 ILE B 12 -2.775 -12.476 8.338 1.00 64.42 H new ATOM 0 HG21 ILE B 12 -2.699 -12.325 5.786 1.00 34.42 H new ATOM 0 HG22 ILE B 12 -3.886 -11.316 4.924 1.00 34.42 H new ATOM 0 HG23 ILE B 12 -2.508 -10.556 5.754 1.00 34.42 H new ATOM 0 HD11 ILE B 12 -1.447 -10.726 9.403 1.00 44.33 H new ATOM 0 HD12 ILE B 12 -1.334 -10.600 7.631 1.00 44.33 H new ATOM 0 HD13 ILE B 12 -2.371 -9.474 8.539 1.00 44.33 H new ATOM 1753 N LEU B 13 -6.154 -8.622 5.480 1.00 45.05 N ATOM 1754 CA LEU B 13 -7.181 -8.393 4.453 1.00 74.11 C ATOM 1755 C LEU B 13 -6.534 -8.551 3.062 1.00 51.42 C ATOM 1756 O LEU B 13 -5.963 -7.604 2.529 1.00 0.32 O ATOM 1757 CB LEU B 13 -7.833 -6.981 4.653 1.00 52.32 C ATOM 1758 CG LEU B 13 -9.267 -6.758 4.041 1.00 4.43 C ATOM 1759 CD1 LEU B 13 -9.291 -6.790 2.496 1.00 75.25 C ATOM 1760 CD2 LEU B 13 -10.275 -7.764 4.629 1.00 62.03 C ATOM 0 H LEU B 13 -5.657 -7.778 5.763 1.00 45.05 H new ATOM 0 HA LEU B 13 -7.983 -9.126 4.540 1.00 74.11 H new ATOM 0 HB2 LEU B 13 -7.888 -6.783 5.723 1.00 52.32 H new ATOM 0 HB3 LEU B 13 -7.163 -6.236 4.225 1.00 52.32 H new ATOM 0 HG LEU B 13 -9.565 -5.749 4.325 1.00 4.43 H new ATOM 0 HD11 LEU B 13 -10.310 -6.630 2.145 1.00 75.25 H new ATOM 0 HD12 LEU B 13 -8.645 -6.004 2.106 1.00 75.25 H new ATOM 0 HD13 LEU B 13 -8.935 -7.759 2.147 1.00 75.25 H new ATOM 0 HD21 LEU B 13 -11.258 -7.591 4.192 1.00 62.03 H new ATOM 0 HD22 LEU B 13 -9.950 -8.779 4.402 1.00 62.03 H new ATOM 0 HD23 LEU B 13 -10.330 -7.634 5.710 1.00 62.03 H new ATOM 1772 N GLU B 14 -6.613 -9.765 2.501 1.00 11.22 N ATOM 1773 CA GLU B 14 -6.038 -10.074 1.183 1.00 34.01 C ATOM 1774 C GLU B 14 -7.077 -9.835 0.074 1.00 32.22 C ATOM 1775 O GLU B 14 -7.955 -10.662 -0.161 1.00 13.20 O ATOM 1776 CB GLU B 14 -5.546 -11.544 1.151 1.00 74.31 C ATOM 1777 CG GLU B 14 -4.876 -11.969 -0.176 1.00 72.11 C ATOM 1778 CD GLU B 14 -4.519 -13.463 -0.236 1.00 64.42 C ATOM 1779 OE1 GLU B 14 -4.146 -14.046 0.804 1.00 64.11 O ATOM 1780 OE2 GLU B 14 -4.586 -14.063 -1.327 1.00 45.44 O ATOM 0 H GLU B 14 -7.075 -10.558 2.945 1.00 11.22 H new ATOM 0 HA GLU B 14 -5.189 -9.413 1.008 1.00 34.01 H new ATOM 0 HB2 GLU B 14 -4.837 -11.694 1.965 1.00 74.31 H new ATOM 0 HB3 GLU B 14 -6.394 -12.202 1.342 1.00 74.31 H new ATOM 0 HG2 GLU B 14 -5.545 -11.731 -1.003 1.00 72.11 H new ATOM 0 HG3 GLU B 14 -3.969 -11.382 -0.320 1.00 72.11 H new ATOM 1787 N LEU B 15 -7.001 -8.683 -0.593 1.00 44.34 N ATOM 1788 CA LEU B 15 -7.848 -8.408 -1.764 1.00 12.42 C ATOM 1789 C LEU B 15 -7.032 -8.629 -3.049 1.00 3.14 C ATOM 1790 O LEU B 15 -5.962 -8.045 -3.245 1.00 71.23 O ATOM 1791 CB LEU B 15 -8.519 -6.994 -1.658 1.00 72.34 C ATOM 1792 CG LEU B 15 -7.653 -5.823 -1.072 1.00 11.54 C ATOM 1793 CD1 LEU B 15 -6.700 -5.203 -2.103 1.00 50.34 C ATOM 1794 CD2 LEU B 15 -8.535 -4.739 -0.424 1.00 44.14 C ATOM 0 H LEU B 15 -6.365 -7.925 -0.347 1.00 44.34 H new ATOM 0 HA LEU B 15 -8.682 -9.109 -1.799 1.00 12.42 H new ATOM 0 HB2 LEU B 15 -8.848 -6.702 -2.655 1.00 72.34 H new ATOM 0 HB3 LEU B 15 -9.413 -7.091 -1.043 1.00 72.34 H new ATOM 0 HG LEU B 15 -7.029 -6.271 -0.298 1.00 11.54 H new ATOM 0 HD11 LEU B 15 -6.130 -4.400 -1.635 1.00 50.34 H new ATOM 0 HD12 LEU B 15 -6.015 -5.967 -2.471 1.00 50.34 H new ATOM 0 HD13 LEU B 15 -7.277 -4.801 -2.936 1.00 50.34 H new ATOM 0 HD21 LEU B 15 -7.903 -3.944 -0.029 1.00 44.14 H new ATOM 0 HD22 LEU B 15 -9.212 -4.326 -1.172 1.00 44.14 H new ATOM 0 HD23 LEU B 15 -9.115 -5.179 0.388 1.00 44.14 H new ATOM 1806 N THR B 16 -7.529 -9.544 -3.881 1.00 25.30 N ATOM 1807 CA THR B 16 -6.943 -9.882 -5.171 1.00 63.44 C ATOM 1808 C THR B 16 -7.524 -8.946 -6.231 1.00 41.33 C ATOM 1809 O THR B 16 -8.673 -9.097 -6.645 1.00 20.43 O ATOM 1810 CB THR B 16 -7.259 -11.359 -5.541 1.00 32.20 C ATOM 1811 OG1 THR B 16 -6.782 -12.221 -4.500 1.00 43.34 O ATOM 1812 CG2 THR B 16 -6.636 -11.763 -6.886 1.00 5.34 C ATOM 0 H THR B 16 -8.370 -10.081 -3.669 1.00 25.30 H new ATOM 0 HA THR B 16 -5.860 -9.766 -5.121 1.00 63.44 H new ATOM 0 HB THR B 16 -8.340 -11.457 -5.643 1.00 32.20 H new ATOM 0 HG1 THR B 16 -7.474 -12.319 -3.813 1.00 43.34 H new ATOM 0 HG21 THR B 16 -6.883 -12.802 -7.104 1.00 5.34 H new ATOM 0 HG22 THR B 16 -7.030 -11.123 -7.676 1.00 5.34 H new ATOM 0 HG23 THR B 16 -5.553 -11.650 -6.834 1.00 5.34 H new ATOM 1820 N VAL B 17 -6.735 -7.953 -6.618 1.00 51.21 N ATOM 1821 CA VAL B 17 -7.136 -6.940 -7.595 1.00 14.10 C ATOM 1822 C VAL B 17 -6.288 -7.070 -8.854 1.00 22.32 C ATOM 1823 O VAL B 17 -5.158 -7.553 -8.798 1.00 71.23 O ATOM 1824 CB VAL B 17 -6.996 -5.495 -7.007 1.00 62.44 C ATOM 1825 CG1 VAL B 17 -7.634 -5.398 -5.606 1.00 52.12 C ATOM 1826 CG2 VAL B 17 -5.529 -4.985 -7.002 1.00 23.55 C ATOM 0 H VAL B 17 -5.788 -7.823 -6.261 1.00 51.21 H new ATOM 0 HA VAL B 17 -8.185 -7.105 -7.842 1.00 14.10 H new ATOM 0 HB VAL B 17 -7.546 -4.833 -7.675 1.00 62.44 H new ATOM 0 HG11 VAL B 17 -7.521 -4.383 -5.224 1.00 52.12 H new ATOM 0 HG12 VAL B 17 -8.694 -5.645 -5.671 1.00 52.12 H new ATOM 0 HG13 VAL B 17 -7.139 -6.097 -4.932 1.00 52.12 H new ATOM 0 HG21 VAL B 17 -5.495 -3.979 -6.584 1.00 23.55 H new ATOM 0 HG22 VAL B 17 -4.914 -5.651 -6.396 1.00 23.55 H new ATOM 0 HG23 VAL B 17 -5.147 -4.967 -8.023 1.00 23.55 H new ATOM 1836 N ARG B 18 -6.843 -6.673 -9.996 1.00 4.11 N ATOM 1837 CA ARG B 18 -6.052 -6.475 -11.218 1.00 2.01 C ATOM 1838 C ARG B 18 -5.789 -4.970 -11.404 1.00 15.22 C ATOM 1839 O ARG B 18 -6.591 -4.141 -10.939 1.00 31.11 O ATOM 1840 CB ARG B 18 -6.728 -7.125 -12.449 1.00 73.42 C ATOM 1841 CG ARG B 18 -8.151 -6.657 -12.766 1.00 12.00 C ATOM 1842 CD ARG B 18 -8.677 -7.266 -14.080 1.00 22.44 C ATOM 1843 NE ARG B 18 -7.774 -6.994 -15.219 1.00 75.33 N ATOM 1844 CZ ARG B 18 -8.155 -6.805 -16.491 1.00 65.30 C ATOM 1845 NH1 ARG B 18 -9.438 -6.857 -16.844 1.00 40.21 N ATOM 1846 NH2 ARG B 18 -7.234 -6.577 -17.410 1.00 43.12 N ATOM 0 H ARG B 18 -7.839 -6.481 -10.106 1.00 4.11 H new ATOM 0 HA ARG B 18 -5.091 -6.980 -11.117 1.00 2.01 H new ATOM 0 HB2 ARG B 18 -6.103 -6.937 -13.322 1.00 73.42 H new ATOM 0 HB3 ARG B 18 -6.748 -8.204 -12.298 1.00 73.42 H new ATOM 0 HG2 ARG B 18 -8.815 -6.933 -11.947 1.00 12.00 H new ATOM 0 HG3 ARG B 18 -8.168 -5.569 -12.838 1.00 12.00 H new ATOM 0 HD2 ARG B 18 -8.793 -8.343 -13.959 1.00 22.44 H new ATOM 0 HD3 ARG B 18 -9.666 -6.861 -14.297 1.00 22.44 H new ATOM 0 HE ARG B 18 -6.775 -6.946 -15.020 1.00 75.33 H new ATOM 0 HH11 ARG B 18 -10.153 -7.044 -16.141 1.00 40.21 H new ATOM 0 HH12 ARG B 18 -9.706 -6.710 -17.817 1.00 40.21 H new ATOM 0 HH21 ARG B 18 -6.249 -6.547 -17.148 1.00 43.12 H new ATOM 0 HH22 ARG B 18 -7.508 -6.431 -18.382 1.00 43.12 H new ATOM 1860 N ASN B 19 -4.664 -4.635 -12.072 1.00 53.40 N ATOM 1861 CA ASN B 19 -4.111 -3.263 -12.112 1.00 73.44 C ATOM 1862 C ASN B 19 -5.021 -2.323 -12.947 1.00 41.13 C ATOM 1863 O ASN B 19 -4.902 -2.213 -14.171 1.00 2.24 O ATOM 1864 CB ASN B 19 -2.627 -3.285 -12.616 1.00 33.45 C ATOM 1865 CG ASN B 19 -1.853 -1.965 -12.367 1.00 70.41 C ATOM 1866 OD1 ASN B 19 -2.394 -0.871 -12.486 1.00 41.02 O ATOM 1867 ND2 ASN B 19 -0.582 -2.060 -11.979 1.00 61.44 N ATOM 0 H ASN B 19 -4.112 -5.310 -12.600 1.00 53.40 H new ATOM 0 HA ASN B 19 -4.095 -2.856 -11.101 1.00 73.44 H new ATOM 0 HB2 ASN B 19 -2.099 -4.101 -12.123 1.00 33.45 H new ATOM 0 HB3 ASN B 19 -2.621 -3.501 -13.684 1.00 33.45 H new ATOM 0 HD21 ASN B 19 -0.046 -1.216 -11.777 1.00 61.44 H new ATOM 0 HD22 ASN B 19 -0.145 -2.977 -11.884 1.00 61.44 H new ATOM 1874 N HIS B 20 -5.992 -1.739 -12.226 1.00 70.05 N ATOM 1875 CA HIS B 20 -6.927 -0.693 -12.713 1.00 72.30 C ATOM 1876 C HIS B 20 -6.465 0.709 -12.233 1.00 63.34 C ATOM 1877 O HIS B 20 -5.658 0.801 -11.301 1.00 32.35 O ATOM 1878 CB HIS B 20 -8.377 -0.992 -12.199 1.00 24.22 C ATOM 1879 CG HIS B 20 -9.119 -2.006 -13.015 1.00 22.51 C ATOM 1880 ND1 HIS B 20 -9.935 -1.668 -14.067 1.00 22.40 N ATOM 1881 CD2 HIS B 20 -9.171 -3.349 -12.930 1.00 64.40 C ATOM 1882 CE1 HIS B 20 -10.452 -2.757 -14.589 1.00 0.30 C ATOM 1883 NE2 HIS B 20 -10.006 -3.793 -13.917 1.00 72.22 N ATOM 0 H HIS B 20 -6.160 -1.987 -11.251 1.00 70.05 H new ATOM 0 HA HIS B 20 -6.929 -0.702 -13.803 1.00 72.30 H new ATOM 0 HB2 HIS B 20 -8.320 -1.342 -11.168 1.00 24.22 H new ATOM 0 HB3 HIS B 20 -8.946 -0.062 -12.189 1.00 24.22 H new ATOM 0 HD2 HIS B 20 -8.648 -3.964 -12.212 1.00 64.40 H new ATOM 0 HE1 HIS B 20 -11.130 -2.794 -15.429 1.00 0.30 H new ATOM 0 HE2 HIS B 20 -10.243 -4.768 -14.101 1.00 72.22 H new ATOM 1892 N PRO B 21 -6.945 1.820 -12.892 1.00 23.05 N ATOM 1893 CA PRO B 21 -6.663 3.212 -12.455 1.00 3.24 C ATOM 1894 C PRO B 21 -6.994 3.495 -10.964 1.00 25.50 C ATOM 1895 O PRO B 21 -8.166 3.629 -10.584 1.00 2.14 O ATOM 1896 CB PRO B 21 -7.529 4.072 -13.410 1.00 31.10 C ATOM 1897 CG PRO B 21 -7.672 3.239 -14.647 1.00 32.13 C ATOM 1898 CD PRO B 21 -7.742 1.810 -14.156 1.00 35.34 C ATOM 0 HA PRO B 21 -5.597 3.433 -12.510 1.00 3.24 H new ATOM 0 HB2 PRO B 21 -8.500 4.297 -12.969 1.00 31.10 H new ATOM 0 HB3 PRO B 21 -7.049 5.026 -13.628 1.00 31.10 H new ATOM 0 HG2 PRO B 21 -8.570 3.509 -15.202 1.00 32.13 H new ATOM 0 HG3 PRO B 21 -6.826 3.384 -15.319 1.00 32.13 H new ATOM 0 HD2 PRO B 21 -8.771 1.500 -13.976 1.00 35.34 H new ATOM 0 HD3 PRO B 21 -7.324 1.117 -14.886 1.00 35.34 H new ATOM 1906 N GLY B 22 -5.934 3.515 -10.135 1.00 41.34 N ATOM 1907 CA GLY B 22 -6.013 3.962 -8.744 1.00 14.22 C ATOM 1908 C GLY B 22 -6.657 2.959 -7.793 1.00 71.23 C ATOM 1909 O GLY B 22 -7.403 3.362 -6.903 1.00 32.22 O ATOM 0 H GLY B 22 -4.999 3.220 -10.418 1.00 41.34 H new ATOM 0 HA2 GLY B 22 -5.007 4.185 -8.390 1.00 14.22 H new ATOM 0 HA3 GLY B 22 -6.578 4.893 -8.706 1.00 14.22 H new ATOM 1913 N VAL B 23 -6.348 1.650 -7.952 1.00 62.41 N ATOM 1914 CA VAL B 23 -6.899 0.599 -7.055 1.00 63.23 C ATOM 1915 C VAL B 23 -6.403 0.800 -5.613 1.00 31.13 C ATOM 1916 O VAL B 23 -7.171 0.693 -4.658 1.00 0.34 O ATOM 1917 CB VAL B 23 -6.524 -0.865 -7.475 1.00 63.11 C ATOM 1918 CG1 VAL B 23 -7.344 -1.875 -6.652 1.00 53.04 C ATOM 1919 CG2 VAL B 23 -6.717 -1.113 -8.975 1.00 3.40 C ATOM 0 H VAL B 23 -5.729 1.297 -8.682 1.00 62.41 H new ATOM 0 HA VAL B 23 -7.981 0.711 -7.132 1.00 63.23 H new ATOM 0 HB VAL B 23 -5.463 -1.001 -7.267 1.00 63.11 H new ATOM 0 HG11 VAL B 23 -7.077 -2.889 -6.950 1.00 53.04 H new ATOM 0 HG12 VAL B 23 -7.129 -1.740 -5.592 1.00 53.04 H new ATOM 0 HG13 VAL B 23 -8.407 -1.712 -6.830 1.00 53.04 H new ATOM 0 HG21 VAL B 23 -6.443 -2.141 -9.212 1.00 3.40 H new ATOM 0 HG22 VAL B 23 -7.761 -0.945 -9.240 1.00 3.40 H new ATOM 0 HG23 VAL B 23 -6.084 -0.429 -9.541 1.00 3.40 H new ATOM 1929 N MET B 24 -5.101 1.086 -5.487 1.00 2.15 N ATOM 1930 CA MET B 24 -4.457 1.382 -4.198 1.00 73.43 C ATOM 1931 C MET B 24 -5.112 2.607 -3.512 1.00 12.03 C ATOM 1932 O MET B 24 -5.129 2.700 -2.282 1.00 0.44 O ATOM 1933 CB MET B 24 -2.925 1.580 -4.383 1.00 50.34 C ATOM 1934 CG MET B 24 -2.506 2.735 -5.313 1.00 14.13 C ATOM 1935 SD MET B 24 -2.983 2.517 -7.044 1.00 40.44 S ATOM 1936 CE MET B 24 -2.360 4.037 -7.778 1.00 55.40 C ATOM 0 H MET B 24 -4.460 1.119 -6.280 1.00 2.15 H new ATOM 0 HA MET B 24 -4.605 0.527 -3.539 1.00 73.43 H new ATOM 0 HB2 MET B 24 -2.478 1.747 -3.403 1.00 50.34 H new ATOM 0 HB3 MET B 24 -2.502 0.654 -4.772 1.00 50.34 H new ATOM 0 HG2 MET B 24 -2.946 3.661 -4.942 1.00 14.13 H new ATOM 0 HG3 MET B 24 -1.424 2.853 -5.260 1.00 14.13 H new ATOM 0 HE1 MET B 24 -2.918 4.257 -8.688 1.00 55.40 H new ATOM 0 HE2 MET B 24 -2.481 4.858 -7.072 1.00 55.40 H new ATOM 0 HE3 MET B 24 -1.304 3.918 -8.019 1.00 55.40 H new ATOM 1946 N THR B 25 -5.664 3.526 -4.333 1.00 33.12 N ATOM 1947 CA THR B 25 -6.402 4.708 -3.854 1.00 24.22 C ATOM 1948 C THR B 25 -7.825 4.312 -3.366 1.00 61.33 C ATOM 1949 O THR B 25 -8.358 4.920 -2.428 1.00 12.04 O ATOM 1950 CB THR B 25 -6.467 5.806 -4.974 1.00 51.45 C ATOM 1951 OG1 THR B 25 -5.189 5.878 -5.643 1.00 5.40 O ATOM 1952 CG2 THR B 25 -6.812 7.202 -4.414 1.00 14.14 C ATOM 0 H THR B 25 -5.608 3.466 -5.350 1.00 33.12 H new ATOM 0 HA THR B 25 -5.867 5.128 -3.002 1.00 24.22 H new ATOM 0 HB THR B 25 -7.259 5.519 -5.665 1.00 51.45 H new ATOM 0 HG1 THR B 25 -5.225 6.561 -6.344 1.00 5.40 H new ATOM 0 HG21 THR B 25 -6.844 7.924 -5.230 1.00 14.14 H new ATOM 0 HG22 THR B 25 -7.784 7.167 -3.922 1.00 14.14 H new ATOM 0 HG23 THR B 25 -6.052 7.503 -3.693 1.00 14.14 H new ATOM 1960 N HIS B 26 -8.418 3.267 -3.994 1.00 11.41 N ATOM 1961 CA HIS B 26 -9.735 2.716 -3.582 1.00 33.21 C ATOM 1962 C HIS B 26 -9.619 2.061 -2.195 1.00 12.44 C ATOM 1963 O HIS B 26 -10.339 2.427 -1.261 1.00 61.10 O ATOM 1964 CB HIS B 26 -10.262 1.649 -4.593 1.00 44.21 C ATOM 1965 CG HIS B 26 -10.550 2.142 -5.984 1.00 21.10 C ATOM 1966 ND1 HIS B 26 -11.082 1.334 -6.963 1.00 12.32 N ATOM 1967 CD2 HIS B 26 -10.366 3.345 -6.565 1.00 22.44 C ATOM 1968 CE1 HIS B 26 -11.209 2.022 -8.081 1.00 52.53 C ATOM 1969 NE2 HIS B 26 -10.779 3.239 -7.863 1.00 64.43 N ATOM 0 H HIS B 26 -8.003 2.786 -4.792 1.00 11.41 H new ATOM 0 HA HIS B 26 -10.439 3.548 -3.556 1.00 33.21 H new ATOM 0 HB2 HIS B 26 -9.528 0.846 -4.659 1.00 44.21 H new ATOM 0 HB3 HIS B 26 -11.175 1.213 -4.187 1.00 44.21 H new ATOM 0 HD2 HIS B 26 -9.966 4.229 -6.091 1.00 22.44 H new ATOM 0 HE1 HIS B 26 -11.600 1.646 -9.015 1.00 52.53 H new ATOM 0 HE2 HIS B 26 -10.756 3.990 -8.553 1.00 64.43 H new ATOM 1978 N VAL B 27 -8.662 1.114 -2.084 1.00 44.11 N ATOM 1979 CA VAL B 27 -8.511 0.256 -0.897 1.00 75.24 C ATOM 1980 C VAL B 27 -8.172 1.097 0.351 1.00 53.33 C ATOM 1981 O VAL B 27 -8.768 0.902 1.409 1.00 10.51 O ATOM 1982 CB VAL B 27 -7.449 -0.899 -1.127 1.00 71.21 C ATOM 1983 CG1 VAL B 27 -7.764 -1.683 -2.424 1.00 22.13 C ATOM 1984 CG2 VAL B 27 -5.985 -0.392 -1.138 1.00 72.41 C ATOM 0 H VAL B 27 -7.976 0.926 -2.815 1.00 44.11 H new ATOM 0 HA VAL B 27 -9.471 -0.231 -0.724 1.00 75.24 H new ATOM 0 HB VAL B 27 -7.537 -1.570 -0.272 1.00 71.21 H new ATOM 0 HG11 VAL B 27 -7.023 -2.470 -2.562 1.00 22.13 H new ATOM 0 HG12 VAL B 27 -8.756 -2.128 -2.348 1.00 22.13 H new ATOM 0 HG13 VAL B 27 -7.735 -1.004 -3.276 1.00 22.13 H new ATOM 0 HG21 VAL B 27 -5.310 -1.233 -1.300 1.00 72.41 H new ATOM 0 HG22 VAL B 27 -5.858 0.335 -1.940 1.00 72.41 H new ATOM 0 HG23 VAL B 27 -5.756 0.079 -0.182 1.00 72.41 H new ATOM 1994 N CYS B 28 -7.283 2.097 0.184 1.00 62.34 N ATOM 1995 CA CYS B 28 -6.860 2.977 1.285 1.00 2.54 C ATOM 1996 C CYS B 28 -8.036 3.842 1.759 1.00 2.14 C ATOM 1997 O CYS B 28 -8.181 4.088 2.954 1.00 62.30 O ATOM 1998 CB CYS B 28 -5.692 3.862 0.833 1.00 1.22 C ATOM 1999 SG CYS B 28 -6.099 4.985 -0.506 1.00 64.31 S ATOM 0 H CYS B 28 -6.843 2.314 -0.710 1.00 62.34 H new ATOM 0 HA CYS B 28 -6.528 2.360 2.120 1.00 2.54 H new ATOM 0 HB2 CYS B 28 -5.339 4.443 1.685 1.00 1.22 H new ATOM 0 HB3 CYS B 28 -4.867 3.223 0.519 1.00 1.22 H new ATOM 0 HG CYS B 28 -5.004 5.419 -1.056 1.00 64.31 H new ATOM 2005 N GLY B 29 -8.890 4.247 0.793 1.00 71.01 N ATOM 2006 CA GLY B 29 -10.112 4.998 1.079 1.00 71.51 C ATOM 2007 C GLY B 29 -11.134 4.195 1.883 1.00 64.45 C ATOM 2008 O GLY B 29 -11.856 4.761 2.701 1.00 51.45 O ATOM 0 H GLY B 29 -8.744 4.059 -0.199 1.00 71.01 H new ATOM 0 HA2 GLY B 29 -9.855 5.903 1.630 1.00 71.51 H new ATOM 0 HA3 GLY B 29 -10.565 5.315 0.140 1.00 71.51 H new ATOM 2012 N LEU B 30 -11.168 2.863 1.655 1.00 65.34 N ATOM 2013 CA LEU B 30 -12.095 1.936 2.350 1.00 43.13 C ATOM 2014 C LEU B 30 -11.777 1.815 3.859 1.00 51.45 C ATOM 2015 O LEU B 30 -12.691 1.797 4.693 1.00 32.23 O ATOM 2016 CB LEU B 30 -12.098 0.528 1.664 1.00 71.31 C ATOM 2017 CG LEU B 30 -13.266 0.259 0.659 1.00 52.20 C ATOM 2018 CD1 LEU B 30 -14.634 0.328 1.363 1.00 14.42 C ATOM 2019 CD2 LEU B 30 -13.229 1.200 -0.565 1.00 12.23 C ATOM 0 H LEU B 30 -10.555 2.399 0.985 1.00 65.34 H new ATOM 0 HA LEU B 30 -13.095 2.361 2.267 1.00 43.13 H new ATOM 0 HB2 LEU B 30 -11.153 0.401 1.135 1.00 71.31 H new ATOM 0 HB3 LEU B 30 -12.132 -0.234 2.443 1.00 71.31 H new ATOM 0 HG LEU B 30 -13.122 -0.754 0.283 1.00 52.20 H new ATOM 0 HD11 LEU B 30 -15.426 0.137 0.639 1.00 14.42 H new ATOM 0 HD12 LEU B 30 -14.675 -0.423 2.152 1.00 14.42 H new ATOM 0 HD13 LEU B 30 -14.770 1.319 1.797 1.00 14.42 H new ATOM 0 HD21 LEU B 30 -14.062 0.968 -1.228 1.00 12.23 H new ATOM 0 HD22 LEU B 30 -13.308 2.235 -0.231 1.00 12.23 H new ATOM 0 HD23 LEU B 30 -12.290 1.063 -1.101 1.00 12.23 H new ATOM 2031 N PHE B 31 -10.485 1.717 4.199 1.00 23.42 N ATOM 2032 CA PHE B 31 -10.037 1.587 5.607 1.00 2.23 C ATOM 2033 C PHE B 31 -10.009 2.958 6.310 1.00 64.52 C ATOM 2034 O PHE B 31 -10.349 3.067 7.496 1.00 52.54 O ATOM 2035 CB PHE B 31 -8.660 0.875 5.667 1.00 30.02 C ATOM 2036 CG PHE B 31 -8.711 -0.532 5.058 1.00 55.34 C ATOM 2037 CD1 PHE B 31 -9.285 -1.593 5.756 1.00 2.53 C ATOM 2038 CD2 PHE B 31 -8.243 -0.779 3.774 1.00 2.32 C ATOM 2039 CE1 PHE B 31 -9.376 -2.854 5.189 1.00 5.44 C ATOM 2040 CE2 PHE B 31 -8.343 -2.034 3.205 1.00 33.52 C ATOM 2041 CZ PHE B 31 -8.907 -3.070 3.913 1.00 21.34 C ATOM 0 H PHE B 31 -9.723 1.725 3.521 1.00 23.42 H new ATOM 0 HA PHE B 31 -10.755 0.970 6.147 1.00 2.23 H new ATOM 0 HB2 PHE B 31 -7.920 1.473 5.136 1.00 30.02 H new ATOM 0 HB3 PHE B 31 -8.331 0.809 6.704 1.00 30.02 H new ATOM 0 HD1 PHE B 31 -9.665 -1.430 6.754 1.00 2.53 H new ATOM 0 HD2 PHE B 31 -7.793 0.025 3.210 1.00 2.32 H new ATOM 0 HE1 PHE B 31 -9.815 -3.667 5.748 1.00 5.44 H new ATOM 0 HE2 PHE B 31 -7.978 -2.202 2.203 1.00 33.52 H new ATOM 0 HZ PHE B 31 -8.982 -4.051 3.468 1.00 21.34 H new ATOM 2051 N ALA B 32 -9.658 4.005 5.538 1.00 4.35 N ATOM 2052 CA ALA B 32 -9.542 5.388 6.045 1.00 65.03 C ATOM 2053 C ALA B 32 -10.911 5.983 6.425 1.00 22.15 C ATOM 2054 O ALA B 32 -11.003 6.751 7.383 1.00 31.34 O ATOM 2055 CB ALA B 32 -8.864 6.283 4.994 1.00 1.31 C ATOM 0 H ALA B 32 -9.447 3.916 4.544 1.00 4.35 H new ATOM 0 HA ALA B 32 -8.932 5.351 6.948 1.00 65.03 H new ATOM 0 HB1 ALA B 32 -8.784 7.300 5.379 1.00 1.31 H new ATOM 0 HB2 ALA B 32 -7.868 5.898 4.776 1.00 1.31 H new ATOM 0 HB3 ALA B 32 -9.459 6.287 4.081 1.00 1.31 H new ATOM 2061 N ARG B 33 -11.968 5.603 5.669 1.00 12.44 N ATOM 2062 CA ARG B 33 -13.332 6.166 5.830 1.00 60.22 C ATOM 2063 C ARG B 33 -13.998 5.688 7.126 1.00 15.03 C ATOM 2064 O ARG B 33 -14.992 6.278 7.565 1.00 1.34 O ATOM 2065 CB ARG B 33 -14.219 5.799 4.610 1.00 33.14 C ATOM 2066 CG ARG B 33 -14.675 4.318 4.555 1.00 20.31 C ATOM 2067 CD ARG B 33 -15.160 3.887 3.165 1.00 42.42 C ATOM 2068 NE ARG B 33 -16.210 4.774 2.645 1.00 4.23 N ATOM 2069 CZ ARG B 33 -16.240 5.296 1.411 1.00 42.34 C ATOM 2070 NH1 ARG B 33 -15.274 5.024 0.540 1.00 2.54 N ATOM 2071 NH2 ARG B 33 -17.230 6.102 1.066 1.00 2.14 N ATOM 0 H ARG B 33 -11.901 4.900 4.933 1.00 12.44 H new ATOM 0 HA ARG B 33 -13.231 7.250 5.888 1.00 60.22 H new ATOM 0 HB2 ARG B 33 -15.103 6.436 4.618 1.00 33.14 H new ATOM 0 HB3 ARG B 33 -13.669 6.029 3.697 1.00 33.14 H new ATOM 0 HG2 ARG B 33 -13.847 3.678 4.858 1.00 20.31 H new ATOM 0 HG3 ARG B 33 -15.477 4.164 5.277 1.00 20.31 H new ATOM 0 HD2 ARG B 33 -14.317 3.880 2.474 1.00 42.42 H new ATOM 0 HD3 ARG B 33 -15.540 2.867 3.215 1.00 42.42 H new ATOM 0 HE ARG B 33 -16.977 5.011 3.274 1.00 4.23 H new ATOM 0 HH11 ARG B 33 -14.502 4.414 0.809 1.00 2.54 H new ATOM 0 HH12 ARG B 33 -15.304 5.425 -0.397 1.00 2.54 H new ATOM 0 HH21 ARG B 33 -17.965 6.323 1.738 1.00 2.14 H new ATOM 0 HH22 ARG B 33 -17.258 6.502 0.128 1.00 2.14 H new ATOM 2085 N ARG B 34 -13.450 4.607 7.721 1.00 43.04 N ATOM 2086 CA ARG B 34 -13.942 4.077 8.989 1.00 72.05 C ATOM 2087 C ARG B 34 -13.593 5.051 10.132 1.00 31.11 C ATOM 2088 O ARG B 34 -14.475 5.745 10.649 1.00 54.43 O ATOM 2089 CB ARG B 34 -13.385 2.639 9.265 1.00 61.44 C ATOM 2090 CG ARG B 34 -13.714 2.088 10.679 1.00 72.44 C ATOM 2091 CD ARG B 34 -15.227 2.102 11.009 1.00 61.14 C ATOM 2092 NE ARG B 34 -15.460 2.036 12.460 1.00 24.14 N ATOM 2093 CZ ARG B 34 -16.320 2.795 13.155 1.00 71.41 C ATOM 2094 NH1 ARG B 34 -17.063 3.723 12.554 1.00 2.23 N ATOM 2095 NH2 ARG B 34 -16.468 2.581 14.455 1.00 42.35 N ATOM 0 H ARG B 34 -12.662 4.089 7.332 1.00 43.04 H new ATOM 0 HA ARG B 34 -15.027 3.986 8.931 1.00 72.05 H new ATOM 0 HB2 ARG B 34 -13.789 1.956 8.518 1.00 61.44 H new ATOM 0 HB3 ARG B 34 -12.303 2.650 9.135 1.00 61.44 H new ATOM 0 HG2 ARG B 34 -13.342 1.066 10.758 1.00 72.44 H new ATOM 0 HG3 ARG B 34 -13.182 2.680 11.424 1.00 72.44 H new ATOM 0 HD2 ARG B 34 -15.680 3.008 10.607 1.00 61.14 H new ATOM 0 HD3 ARG B 34 -15.715 1.258 10.522 1.00 61.14 H new ATOM 0 HE ARG B 34 -14.918 1.350 12.986 1.00 24.14 H new ATOM 0 HH11 ARG B 34 -16.984 3.867 11.547 1.00 2.23 H new ATOM 0 HH12 ARG B 34 -17.711 4.290 13.101 1.00 2.23 H new ATOM 0 HH21 ARG B 34 -15.931 1.846 14.915 1.00 42.35 H new ATOM 0 HH22 ARG B 34 -17.119 3.151 14.995 1.00 42.35 H new ATOM 2109 N ALA B 35 -12.296 5.125 10.467 1.00 63.33 N ATOM 2110 CA ALA B 35 -11.800 5.872 11.639 1.00 35.12 C ATOM 2111 C ALA B 35 -10.275 5.759 11.701 1.00 24.31 C ATOM 2112 O ALA B 35 -9.559 6.767 11.660 1.00 13.23 O ATOM 2113 CB ALA B 35 -12.433 5.350 12.954 1.00 61.21 C ATOM 0 H ALA B 35 -11.557 4.668 9.933 1.00 63.33 H new ATOM 0 HA ALA B 35 -12.087 6.918 11.531 1.00 35.12 H new ATOM 0 HB1 ALA B 35 -12.045 5.922 13.797 1.00 61.21 H new ATOM 0 HB2 ALA B 35 -13.516 5.463 12.906 1.00 61.21 H new ATOM 0 HB3 ALA B 35 -12.183 4.297 13.085 1.00 61.21 H new ATOM 2119 N PHE B 36 -9.787 4.503 11.777 1.00 54.33 N ATOM 2120 CA PHE B 36 -8.354 4.205 11.957 1.00 30.02 C ATOM 2121 C PHE B 36 -7.687 3.919 10.594 1.00 52.20 C ATOM 2122 O PHE B 36 -8.360 3.596 9.609 1.00 54.33 O ATOM 2123 CB PHE B 36 -8.162 3.012 12.951 1.00 40.34 C ATOM 2124 CG PHE B 36 -6.721 2.857 13.470 1.00 53.22 C ATOM 2125 CD1 PHE B 36 -6.198 3.761 14.397 1.00 33.02 C ATOM 2126 CD2 PHE B 36 -5.883 1.840 13.009 1.00 73.30 C ATOM 2127 CE1 PHE B 36 -4.890 3.651 14.846 1.00 40.42 C ATOM 2128 CE2 PHE B 36 -4.574 1.735 13.451 1.00 42.32 C ATOM 2129 CZ PHE B 36 -4.081 2.639 14.372 1.00 75.23 C ATOM 0 H PHE B 36 -10.374 3.671 11.715 1.00 54.33 H new ATOM 0 HA PHE B 36 -7.866 5.078 12.390 1.00 30.02 H new ATOM 0 HB2 PHE B 36 -8.831 3.149 13.801 1.00 40.34 H new ATOM 0 HB3 PHE B 36 -8.461 2.088 12.456 1.00 40.34 H new ATOM 0 HD1 PHE B 36 -6.822 4.559 14.771 1.00 33.02 H new ATOM 0 HD2 PHE B 36 -6.261 1.123 12.296 1.00 73.30 H new ATOM 0 HE1 PHE B 36 -4.505 4.357 15.567 1.00 40.42 H new ATOM 0 HE2 PHE B 36 -3.939 0.946 13.075 1.00 42.32 H new ATOM 0 HZ PHE B 36 -3.062 2.554 14.721 1.00 75.23 H new ATOM 2139 N ASN B 37 -6.353 4.046 10.575 1.00 31.13 N ATOM 2140 CA ASN B 37 -5.508 3.892 9.378 1.00 10.34 C ATOM 2141 C ASN B 37 -5.022 2.437 9.255 1.00 64.13 C ATOM 2142 O ASN B 37 -5.468 1.562 10.001 1.00 50.31 O ATOM 2143 CB ASN B 37 -4.312 4.869 9.517 1.00 65.34 C ATOM 2144 CG ASN B 37 -4.773 6.302 9.780 1.00 63.03 C ATOM 2145 OD1 ASN B 37 -5.737 6.781 9.177 1.00 72.03 O ATOM 2146 ND2 ASN B 37 -4.140 6.971 10.728 1.00 25.43 N ATOM 0 H ASN B 37 -5.815 4.265 11.414 1.00 31.13 H new ATOM 0 HA ASN B 37 -6.072 4.124 8.475 1.00 10.34 H new ATOM 0 HB2 ASN B 37 -3.667 4.540 10.332 1.00 65.34 H new ATOM 0 HB3 ASN B 37 -3.713 4.842 8.606 1.00 65.34 H new ATOM 0 HD21 ASN B 37 -4.445 7.911 10.980 1.00 25.43 H new ATOM 0 HD22 ASN B 37 -3.346 6.547 11.208 1.00 25.43 H new ATOM 2153 N VAL B 38 -4.107 2.177 8.311 1.00 74.43 N ATOM 2154 CA VAL B 38 -3.518 0.840 8.121 1.00 44.42 C ATOM 2155 C VAL B 38 -2.174 0.749 8.876 1.00 52.11 C ATOM 2156 O VAL B 38 -1.436 1.735 8.971 1.00 32.34 O ATOM 2157 CB VAL B 38 -3.327 0.494 6.591 1.00 64.22 C ATOM 2158 CG1 VAL B 38 -2.853 -0.963 6.400 1.00 73.31 C ATOM 2159 CG2 VAL B 38 -4.628 0.749 5.795 1.00 2.53 C ATOM 0 H VAL B 38 -3.755 2.880 7.661 1.00 74.43 H new ATOM 0 HA VAL B 38 -4.210 0.104 8.531 1.00 44.42 H new ATOM 0 HB VAL B 38 -2.553 1.155 6.201 1.00 64.22 H new ATOM 0 HG11 VAL B 38 -2.731 -1.170 5.337 1.00 73.31 H new ATOM 0 HG12 VAL B 38 -1.900 -1.105 6.909 1.00 73.31 H new ATOM 0 HG13 VAL B 38 -3.593 -1.644 6.819 1.00 73.31 H new ATOM 0 HG21 VAL B 38 -4.467 0.502 4.746 1.00 2.53 H new ATOM 0 HG22 VAL B 38 -5.428 0.126 6.196 1.00 2.53 H new ATOM 0 HG23 VAL B 38 -4.908 1.799 5.882 1.00 2.53 H new ATOM 2169 N GLU B 39 -1.901 -0.439 9.432 1.00 42.02 N ATOM 2170 CA GLU B 39 -0.673 -0.763 10.180 1.00 54.01 C ATOM 2171 C GLU B 39 0.449 -1.175 9.198 1.00 75.11 C ATOM 2172 O GLU B 39 1.557 -0.620 9.223 1.00 13.21 O ATOM 2173 CB GLU B 39 -1.018 -1.921 11.158 1.00 20.31 C ATOM 2174 CG GLU B 39 0.150 -2.513 11.967 1.00 23.22 C ATOM 2175 CD GLU B 39 -0.258 -3.803 12.693 1.00 30.14 C ATOM 2176 OE1 GLU B 39 -0.176 -4.889 12.077 1.00 13.42 O ATOM 2177 OE2 GLU B 39 -0.683 -3.738 13.871 1.00 61.23 O ATOM 0 H GLU B 39 -2.546 -1.227 9.373 1.00 42.02 H new ATOM 0 HA GLU B 39 -0.313 0.100 10.740 1.00 54.01 H new ATOM 0 HB2 GLU B 39 -1.770 -1.561 11.860 1.00 20.31 H new ATOM 0 HB3 GLU B 39 -1.477 -2.726 10.584 1.00 20.31 H new ATOM 0 HG2 GLU B 39 0.987 -2.720 11.300 1.00 23.22 H new ATOM 0 HG3 GLU B 39 0.497 -1.780 12.695 1.00 23.22 H new ATOM 2184 N GLY B 40 0.124 -2.139 8.313 1.00 65.15 N ATOM 2185 CA GLY B 40 1.080 -2.684 7.338 1.00 71.52 C ATOM 2186 C GLY B 40 0.393 -3.049 6.028 1.00 44.12 C ATOM 2187 O GLY B 40 -0.783 -3.391 6.022 1.00 30.41 O ATOM 0 H GLY B 40 -0.805 -2.557 8.257 1.00 65.15 H new ATOM 0 HA2 GLY B 40 1.864 -1.952 7.147 1.00 71.52 H new ATOM 0 HA3 GLY B 40 1.563 -3.567 7.755 1.00 71.52 H new ATOM 2191 N ILE B 41 1.129 -2.965 4.910 1.00 0.14 N ATOM 2192 CA ILE B 41 0.602 -3.223 3.545 1.00 64.35 C ATOM 2193 C ILE B 41 1.622 -4.089 2.783 1.00 42.31 C ATOM 2194 O ILE B 41 2.826 -4.003 3.040 1.00 63.01 O ATOM 2195 CB ILE B 41 0.346 -1.875 2.732 1.00 23.10 C ATOM 2196 CG1 ILE B 41 -0.618 -0.922 3.508 1.00 3.21 C ATOM 2197 CG2 ILE B 41 -0.199 -2.147 1.303 1.00 72.12 C ATOM 2198 CD1 ILE B 41 -0.884 0.423 2.842 1.00 12.22 C ATOM 0 H ILE B 41 2.118 -2.714 4.919 1.00 0.14 H new ATOM 0 HA ILE B 41 -0.356 -3.734 3.641 1.00 64.35 H new ATOM 0 HB ILE B 41 1.313 -1.384 2.628 1.00 23.10 H new ATOM 0 HG12 ILE B 41 -1.570 -1.433 3.649 1.00 3.21 H new ATOM 0 HG13 ILE B 41 -0.203 -0.742 4.499 1.00 3.21 H new ATOM 0 HG21 ILE B 41 -0.358 -1.200 0.788 1.00 72.12 H new ATOM 0 HG22 ILE B 41 0.522 -2.746 0.747 1.00 72.12 H new ATOM 0 HG23 ILE B 41 -1.144 -2.686 1.370 1.00 72.12 H new ATOM 0 HD11 ILE B 41 -1.564 1.007 3.461 1.00 12.22 H new ATOM 0 HD12 ILE B 41 0.055 0.963 2.725 1.00 12.22 H new ATOM 0 HD13 ILE B 41 -1.334 0.261 1.862 1.00 12.22 H new ATOM 2210 N LEU B 42 1.128 -4.928 1.862 1.00 31.40 N ATOM 2211 CA LEU B 42 1.974 -5.677 0.925 1.00 52.12 C ATOM 2212 C LEU B 42 1.202 -5.929 -0.382 1.00 0.23 C ATOM 2213 O LEU B 42 0.313 -6.760 -0.415 1.00 13.24 O ATOM 2214 CB LEU B 42 2.445 -7.019 1.556 1.00 64.53 C ATOM 2215 CG LEU B 42 3.258 -7.972 0.617 1.00 33.23 C ATOM 2216 CD1 LEU B 42 4.517 -7.297 0.045 1.00 2.12 C ATOM 2217 CD2 LEU B 42 3.607 -9.274 1.343 1.00 51.24 C ATOM 0 H LEU B 42 0.130 -5.106 1.746 1.00 31.40 H new ATOM 0 HA LEU B 42 2.862 -5.086 0.702 1.00 52.12 H new ATOM 0 HB2 LEU B 42 3.058 -6.792 2.428 1.00 64.53 H new ATOM 0 HB3 LEU B 42 1.567 -7.557 1.914 1.00 64.53 H new ATOM 0 HG LEU B 42 2.620 -8.211 -0.234 1.00 33.23 H new ATOM 0 HD11 LEU B 42 5.046 -7.999 -0.599 1.00 2.12 H new ATOM 0 HD12 LEU B 42 4.228 -6.420 -0.534 1.00 2.12 H new ATOM 0 HD13 LEU B 42 5.170 -6.993 0.863 1.00 2.12 H new ATOM 0 HD21 LEU B 42 4.172 -9.923 0.674 1.00 51.24 H new ATOM 0 HD22 LEU B 42 4.208 -9.049 2.224 1.00 51.24 H new ATOM 0 HD23 LEU B 42 2.690 -9.777 1.648 1.00 51.24 H new ATOM 2229 N CYS B 43 1.524 -5.167 -1.436 1.00 73.35 N ATOM 2230 CA CYS B 43 1.038 -5.437 -2.802 1.00 55.34 C ATOM 2231 C CYS B 43 2.075 -6.294 -3.530 1.00 62.30 C ATOM 2232 O CYS B 43 3.165 -5.809 -3.864 1.00 23.32 O ATOM 2233 CB CYS B 43 0.788 -4.120 -3.571 1.00 11.12 C ATOM 2234 SG CYS B 43 0.207 -4.331 -5.269 1.00 32.42 S ATOM 0 H CYS B 43 2.127 -4.347 -1.369 1.00 73.35 H new ATOM 0 HA CYS B 43 0.089 -5.970 -2.749 1.00 55.34 H new ATOM 0 HB2 CYS B 43 0.055 -3.529 -3.022 1.00 11.12 H new ATOM 0 HB3 CYS B 43 1.713 -3.544 -3.588 1.00 11.12 H new ATOM 0 HG CYS B 43 0.030 -3.165 -5.815 1.00 32.42 H new ATOM 2240 N LEU B 44 1.753 -7.584 -3.706 1.00 33.21 N ATOM 2241 CA LEU B 44 2.610 -8.550 -4.401 1.00 62.54 C ATOM 2242 C LEU B 44 2.127 -8.662 -5.865 1.00 23.31 C ATOM 2243 O LEU B 44 1.041 -9.213 -6.103 1.00 11.23 O ATOM 2244 CB LEU B 44 2.536 -9.933 -3.688 1.00 53.51 C ATOM 2245 CG LEU B 44 3.704 -10.922 -3.958 1.00 54.22 C ATOM 2246 CD1 LEU B 44 5.018 -10.370 -3.377 1.00 33.44 C ATOM 2247 CD2 LEU B 44 3.392 -12.333 -3.396 1.00 21.15 C ATOM 0 H LEU B 44 0.881 -7.988 -3.365 1.00 33.21 H new ATOM 0 HA LEU B 44 3.648 -8.218 -4.384 1.00 62.54 H new ATOM 0 HB2 LEU B 44 2.479 -9.759 -2.613 1.00 53.51 H new ATOM 0 HB3 LEU B 44 1.605 -10.418 -3.982 1.00 53.51 H new ATOM 0 HG LEU B 44 3.821 -11.022 -5.037 1.00 54.22 H new ATOM 0 HD11 LEU B 44 5.827 -11.074 -3.574 1.00 33.44 H new ATOM 0 HD12 LEU B 44 5.248 -9.412 -3.844 1.00 33.44 H new ATOM 0 HD13 LEU B 44 4.911 -10.232 -2.301 1.00 33.44 H new ATOM 0 HD21 LEU B 44 4.229 -13.000 -3.602 1.00 21.15 H new ATOM 0 HD22 LEU B 44 3.235 -12.269 -2.319 1.00 21.15 H new ATOM 0 HD23 LEU B 44 2.492 -12.723 -3.871 1.00 21.15 H new ATOM 2259 N PRO B 45 2.888 -8.106 -6.861 1.00 3.21 N ATOM 2260 CA PRO B 45 2.494 -8.167 -8.286 1.00 2.01 C ATOM 2261 C PRO B 45 2.708 -9.574 -8.896 1.00 51.24 C ATOM 2262 O PRO B 45 3.669 -10.280 -8.556 1.00 34.51 O ATOM 2263 CB PRO B 45 3.406 -7.105 -8.948 1.00 74.13 C ATOM 2264 CG PRO B 45 4.639 -7.071 -8.096 1.00 65.43 C ATOM 2265 CD PRO B 45 4.174 -7.360 -6.682 1.00 2.12 C ATOM 0 HA PRO B 45 1.432 -7.973 -8.437 1.00 2.01 H new ATOM 0 HB2 PRO B 45 3.644 -7.375 -9.977 1.00 74.13 H new ATOM 0 HB3 PRO B 45 2.920 -6.130 -8.978 1.00 74.13 H new ATOM 0 HG2 PRO B 45 5.364 -7.814 -8.428 1.00 65.43 H new ATOM 0 HG3 PRO B 45 5.128 -6.099 -8.155 1.00 65.43 H new ATOM 0 HD2 PRO B 45 4.906 -7.955 -6.136 1.00 2.12 H new ATOM 0 HD3 PRO B 45 4.025 -6.440 -6.116 1.00 2.12 H new ATOM 2273 N ILE B 46 1.782 -9.970 -9.777 1.00 44.04 N ATOM 2274 CA ILE B 46 1.826 -11.237 -10.513 1.00 44.24 C ATOM 2275 C ILE B 46 2.429 -10.947 -11.898 1.00 72.55 C ATOM 2276 O ILE B 46 2.055 -9.962 -12.541 1.00 25.23 O ATOM 2277 CB ILE B 46 0.384 -11.895 -10.631 1.00 32.22 C ATOM 2278 CG1 ILE B 46 -0.119 -12.466 -9.248 1.00 52.13 C ATOM 2279 CG2 ILE B 46 0.328 -12.998 -11.725 1.00 60.41 C ATOM 2280 CD1 ILE B 46 -0.443 -11.433 -8.180 1.00 21.55 C ATOM 0 H ILE B 46 0.963 -9.405 -10.002 1.00 44.04 H new ATOM 0 HA ILE B 46 2.443 -11.960 -9.978 1.00 44.24 H new ATOM 0 HB ILE B 46 -0.290 -11.093 -10.932 1.00 32.22 H new ATOM 0 HG12 ILE B 46 -1.011 -13.066 -9.428 1.00 52.13 H new ATOM 0 HG13 ILE B 46 0.644 -13.138 -8.856 1.00 52.13 H new ATOM 0 HG21 ILE B 46 -0.677 -13.417 -11.768 1.00 60.41 H new ATOM 0 HG22 ILE B 46 0.581 -12.564 -12.692 1.00 60.41 H new ATOM 0 HG23 ILE B 46 1.040 -13.787 -11.483 1.00 60.41 H new ATOM 0 HD11 ILE B 46 -0.778 -11.939 -7.274 1.00 21.55 H new ATOM 0 HD12 ILE B 46 0.449 -10.846 -7.959 1.00 21.55 H new ATOM 0 HD13 ILE B 46 -1.232 -10.773 -8.540 1.00 21.55 H new ATOM 2292 N GLN B 47 3.390 -11.779 -12.312 1.00 5.42 N ATOM 2293 CA GLN B 47 4.094 -11.654 -13.602 1.00 41.42 C ATOM 2294 C GLN B 47 3.188 -12.070 -14.787 1.00 25.42 C ATOM 2295 O GLN B 47 3.070 -11.340 -15.784 1.00 64.41 O ATOM 2296 CB GLN B 47 5.379 -12.536 -13.546 1.00 30.14 C ATOM 2297 CG GLN B 47 6.048 -12.814 -14.905 1.00 14.41 C ATOM 2298 CD GLN B 47 6.527 -11.563 -15.654 1.00 30.24 C ATOM 2299 OE1 GLN B 47 6.904 -10.555 -15.052 1.00 13.04 O ATOM 2300 NE2 GLN B 47 6.518 -11.624 -16.975 1.00 44.34 N ATOM 0 H GLN B 47 3.709 -12.572 -11.755 1.00 5.42 H new ATOM 0 HA GLN B 47 4.365 -10.611 -13.767 1.00 41.42 H new ATOM 0 HB2 GLN B 47 6.105 -12.049 -12.895 1.00 30.14 H new ATOM 0 HB3 GLN B 47 5.125 -13.490 -13.083 1.00 30.14 H new ATOM 0 HG2 GLN B 47 6.901 -13.474 -14.746 1.00 14.41 H new ATOM 0 HG3 GLN B 47 5.342 -13.352 -15.538 1.00 14.41 H new ATOM 0 HE21 GLN B 47 6.200 -12.472 -17.444 1.00 44.34 H new ATOM 0 HE22 GLN B 47 6.829 -10.823 -17.525 1.00 44.34 H new ATOM 2309 N ASP B 48 2.554 -13.240 -14.630 1.00 42.33 N ATOM 2310 CA ASP B 48 1.782 -13.933 -15.683 1.00 4.44 C ATOM 2311 C ASP B 48 0.650 -13.062 -16.263 1.00 41.50 C ATOM 2312 O ASP B 48 0.399 -13.079 -17.466 1.00 3.02 O ATOM 2313 CB ASP B 48 1.218 -15.246 -15.085 1.00 44.25 C ATOM 2314 CG ASP B 48 0.308 -16.038 -16.042 1.00 31.43 C ATOM 2315 OD1 ASP B 48 0.832 -16.779 -16.897 1.00 4.32 O ATOM 2316 OD2 ASP B 48 -0.932 -15.928 -15.940 1.00 4.22 O ATOM 0 H ASP B 48 2.561 -13.748 -13.746 1.00 42.33 H new ATOM 0 HA ASP B 48 2.448 -14.148 -16.518 1.00 4.44 H new ATOM 0 HB2 ASP B 48 2.051 -15.882 -14.785 1.00 44.25 H new ATOM 0 HB3 ASP B 48 0.656 -15.008 -14.182 1.00 44.25 H new ATOM 2321 N SER B 49 -0.017 -12.304 -15.384 1.00 41.41 N ATOM 2322 CA SER B 49 -1.160 -11.433 -15.748 1.00 1.01 C ATOM 2323 C SER B 49 -1.105 -10.134 -14.924 1.00 75.42 C ATOM 2324 O SER B 49 -0.437 -10.103 -13.881 1.00 12.31 O ATOM 2325 CB SER B 49 -2.498 -12.174 -15.494 1.00 54.24 C ATOM 2326 OG SER B 49 -2.586 -13.381 -16.242 1.00 65.54 O ATOM 0 H SER B 49 0.217 -12.272 -14.392 1.00 41.41 H new ATOM 0 HA SER B 49 -1.097 -11.185 -16.807 1.00 1.01 H new ATOM 0 HB2 SER B 49 -2.593 -12.398 -14.431 1.00 54.24 H new ATOM 0 HB3 SER B 49 -3.330 -11.522 -15.758 1.00 54.24 H new ATOM 0 HG SER B 49 -1.899 -14.008 -15.933 1.00 65.54 H new ATOM 2332 N ASP B 50 -1.811 -9.062 -15.383 1.00 52.04 N ATOM 2333 CA ASP B 50 -1.874 -7.776 -14.642 1.00 21.23 C ATOM 2334 C ASP B 50 -2.727 -7.946 -13.369 1.00 11.15 C ATOM 2335 O ASP B 50 -3.891 -7.600 -13.326 1.00 10.22 O ATOM 2336 CB ASP B 50 -2.367 -6.573 -15.541 1.00 52.22 C ATOM 2337 CG ASP B 50 -3.638 -6.829 -16.393 1.00 64.25 C ATOM 2338 OD1 ASP B 50 -4.747 -6.990 -15.835 1.00 3.35 O ATOM 2339 OD2 ASP B 50 -3.539 -6.842 -17.636 1.00 23.11 O ATOM 0 H ASP B 50 -2.339 -9.066 -16.256 1.00 52.04 H new ATOM 0 HA ASP B 50 -0.860 -7.511 -14.344 1.00 21.23 H new ATOM 0 HB2 ASP B 50 -2.556 -5.717 -14.894 1.00 52.22 H new ATOM 0 HB3 ASP B 50 -1.556 -6.292 -16.212 1.00 52.22 H new ATOM 2344 N LYS B 51 -2.115 -8.526 -12.339 1.00 4.34 N ATOM 2345 CA LYS B 51 -2.801 -8.907 -11.097 1.00 43.34 C ATOM 2346 C LYS B 51 -1.887 -8.562 -9.915 1.00 2.00 C ATOM 2347 O LYS B 51 -0.667 -8.469 -10.075 1.00 62.33 O ATOM 2348 CB LYS B 51 -3.144 -10.430 -11.137 1.00 51.12 C ATOM 2349 CG LYS B 51 -4.128 -10.926 -10.047 1.00 44.22 C ATOM 2350 CD LYS B 51 -5.570 -10.392 -10.229 1.00 52.34 C ATOM 2351 CE LYS B 51 -6.242 -10.849 -11.538 1.00 41.33 C ATOM 2352 NZ LYS B 51 -6.444 -12.316 -11.579 1.00 40.20 N ATOM 0 H LYS B 51 -1.120 -8.749 -12.339 1.00 4.34 H new ATOM 0 HA LYS B 51 -3.738 -8.362 -10.986 1.00 43.34 H new ATOM 0 HB2 LYS B 51 -3.566 -10.663 -12.115 1.00 51.12 H new ATOM 0 HB3 LYS B 51 -2.216 -10.995 -11.047 1.00 51.12 H new ATOM 0 HG2 LYS B 51 -4.149 -12.016 -10.056 1.00 44.22 H new ATOM 0 HG3 LYS B 51 -3.757 -10.622 -9.068 1.00 44.22 H new ATOM 0 HD2 LYS B 51 -6.178 -10.720 -9.386 1.00 52.34 H new ATOM 0 HD3 LYS B 51 -5.550 -9.302 -10.203 1.00 52.34 H new ATOM 0 HE2 LYS B 51 -7.204 -10.348 -11.645 1.00 41.33 H new ATOM 0 HE3 LYS B 51 -5.628 -10.544 -12.386 1.00 41.33 H new ATOM 0 HZ1 LYS B 51 -6.914 -12.577 -12.469 1.00 40.20 H new ATOM 0 HZ2 LYS B 51 -5.523 -12.795 -11.520 1.00 40.20 H new ATOM 0 HZ3 LYS B 51 -7.037 -12.607 -10.776 1.00 40.20 H new ATOM 2366 N SER B 52 -2.501 -8.370 -8.748 1.00 61.32 N ATOM 2367 CA SER B 52 -1.823 -7.965 -7.512 1.00 52.01 C ATOM 2368 C SER B 52 -2.701 -8.382 -6.320 1.00 24.22 C ATOM 2369 O SER B 52 -3.858 -7.978 -6.238 1.00 30.45 O ATOM 2370 CB SER B 52 -1.589 -6.425 -7.480 1.00 60.41 C ATOM 2371 OG SER B 52 -0.760 -5.987 -8.546 1.00 50.31 O ATOM 0 H SER B 52 -3.507 -8.494 -8.631 1.00 61.32 H new ATOM 0 HA SER B 52 -0.849 -8.452 -7.460 1.00 52.01 H new ATOM 0 HB2 SER B 52 -2.549 -5.912 -7.534 1.00 60.41 H new ATOM 0 HB3 SER B 52 -1.133 -6.148 -6.530 1.00 60.41 H new ATOM 0 HG SER B 52 -0.640 -5.016 -8.489 1.00 50.31 H new ATOM 2377 N HIS B 53 -2.177 -9.236 -5.428 1.00 23.11 N ATOM 2378 CA HIS B 53 -2.827 -9.499 -4.120 1.00 53.10 C ATOM 2379 C HIS B 53 -2.236 -8.516 -3.104 1.00 42.43 C ATOM 2380 O HIS B 53 -1.016 -8.383 -3.032 1.00 52.04 O ATOM 2381 CB HIS B 53 -2.588 -10.954 -3.640 1.00 74.13 C ATOM 2382 CG HIS B 53 -3.171 -12.036 -4.513 1.00 21.52 C ATOM 2383 ND1 HIS B 53 -3.962 -13.044 -4.023 1.00 4.42 N ATOM 2384 CD2 HIS B 53 -3.007 -12.309 -5.829 1.00 2.55 C ATOM 2385 CE1 HIS B 53 -4.248 -13.890 -4.988 1.00 43.41 C ATOM 2386 NE2 HIS B 53 -3.684 -13.468 -6.094 1.00 44.23 N ATOM 0 H HIS B 53 -1.313 -9.756 -5.579 1.00 23.11 H new ATOM 0 HA HIS B 53 -3.904 -9.367 -4.221 1.00 53.10 H new ATOM 0 HB2 HIS B 53 -1.513 -11.118 -3.559 1.00 74.13 H new ATOM 0 HB3 HIS B 53 -3.003 -11.059 -2.638 1.00 74.13 H new ATOM 0 HD1 HIS B 53 -4.280 -13.125 -3.057 1.00 4.42 H new ATOM 0 HD2 HIS B 53 -2.445 -11.720 -6.539 1.00 2.55 H new ATOM 0 HE1 HIS B 53 -4.847 -14.783 -4.887 1.00 43.41 H new ATOM 2395 N ILE B 54 -3.089 -7.800 -2.347 1.00 72.55 N ATOM 2396 CA ILE B 54 -2.626 -6.832 -1.336 1.00 63.24 C ATOM 2397 C ILE B 54 -3.131 -7.280 0.044 1.00 62.40 C ATOM 2398 O ILE B 54 -4.334 -7.455 0.226 1.00 72.31 O ATOM 2399 CB ILE B 54 -3.085 -5.334 -1.606 1.00 33.54 C ATOM 2400 CG1 ILE B 54 -2.715 -4.816 -3.043 1.00 14.51 C ATOM 2401 CG2 ILE B 54 -2.465 -4.391 -0.548 1.00 41.11 C ATOM 2402 CD1 ILE B 54 -3.570 -5.352 -4.171 1.00 63.01 C ATOM 0 H ILE B 54 -4.104 -7.874 -2.417 1.00 72.55 H new ATOM 0 HA ILE B 54 -1.537 -6.825 -1.386 1.00 63.24 H new ATOM 0 HB ILE B 54 -4.173 -5.330 -1.535 1.00 33.54 H new ATOM 0 HG12 ILE B 54 -2.781 -3.728 -3.046 1.00 14.51 H new ATOM 0 HG13 ILE B 54 -1.675 -5.072 -3.246 1.00 14.51 H new ATOM 0 HG21 ILE B 54 -2.785 -3.367 -0.741 1.00 41.11 H new ATOM 0 HG22 ILE B 54 -2.795 -4.693 0.446 1.00 41.11 H new ATOM 0 HG23 ILE B 54 -1.378 -4.448 -0.603 1.00 41.11 H new ATOM 0 HD11 ILE B 54 -3.230 -4.931 -5.117 1.00 63.01 H new ATOM 0 HD12 ILE B 54 -3.487 -6.438 -4.206 1.00 63.01 H new ATOM 0 HD13 ILE B 54 -4.610 -5.073 -4.003 1.00 63.01 H new ATOM 2414 N TRP B 55 -2.196 -7.478 0.997 1.00 61.01 N ATOM 2415 CA TRP B 55 -2.513 -7.837 2.393 1.00 40.33 C ATOM 2416 C TRP B 55 -2.491 -6.561 3.252 1.00 43.42 C ATOM 2417 O TRP B 55 -1.421 -5.986 3.497 1.00 43.15 O ATOM 2418 CB TRP B 55 -1.494 -8.889 2.926 1.00 34.25 C ATOM 2419 CG TRP B 55 -1.515 -10.209 2.169 1.00 51.32 C ATOM 2420 CD1 TRP B 55 -2.158 -11.357 2.514 1.00 13.42 C ATOM 2421 CD2 TRP B 55 -0.879 -10.493 0.922 1.00 62.35 C ATOM 2422 NE1 TRP B 55 -1.954 -12.326 1.572 1.00 75.11 N ATOM 2423 CE2 TRP B 55 -1.182 -11.819 0.578 1.00 13.44 C ATOM 2424 CE3 TRP B 55 -0.095 -9.752 0.071 1.00 34.03 C ATOM 2425 CZ2 TRP B 55 -0.719 -12.413 -0.587 1.00 34.53 C ATOM 2426 CZ3 TRP B 55 0.363 -10.329 -1.078 1.00 64.52 C ATOM 2427 CH2 TRP B 55 0.050 -11.651 -1.407 1.00 2.42 C ATOM 0 H TRP B 55 -1.196 -7.393 0.817 1.00 61.01 H new ATOM 0 HA TRP B 55 -3.506 -8.284 2.444 1.00 40.33 H new ATOM 0 HB2 TRP B 55 -0.490 -8.467 2.873 1.00 34.25 H new ATOM 0 HB3 TRP B 55 -1.703 -9.082 3.978 1.00 34.25 H new ATOM 0 HD1 TRP B 55 -2.748 -11.485 3.409 1.00 13.42 H new ATOM 0 HE1 TRP B 55 -2.322 -13.276 1.610 1.00 75.11 H new ATOM 0 HE3 TRP B 55 0.155 -8.728 0.308 1.00 34.03 H new ATOM 0 HZ2 TRP B 55 -0.960 -13.437 -0.831 1.00 34.53 H new ATOM 0 HZ3 TRP B 55 0.982 -9.751 -1.748 1.00 64.52 H new ATOM 0 HH2 TRP B 55 0.426 -12.073 -2.328 1.00 2.42 H new ATOM 2438 N LEU B 56 -3.687 -6.098 3.650 1.00 64.22 N ATOM 2439 CA LEU B 56 -3.862 -4.925 4.518 1.00 23.22 C ATOM 2440 C LEU B 56 -3.977 -5.388 5.977 1.00 34.24 C ATOM 2441 O LEU B 56 -4.964 -6.017 6.363 1.00 61.23 O ATOM 2442 CB LEU B 56 -5.130 -4.098 4.127 1.00 40.41 C ATOM 2443 CG LEU B 56 -5.144 -3.417 2.714 1.00 30.44 C ATOM 2444 CD1 LEU B 56 -3.885 -2.561 2.477 1.00 21.44 C ATOM 2445 CD2 LEU B 56 -5.388 -4.441 1.582 1.00 74.24 C ATOM 0 H LEU B 56 -4.568 -6.533 3.375 1.00 64.22 H new ATOM 0 HA LEU B 56 -2.993 -4.278 4.394 1.00 23.22 H new ATOM 0 HB2 LEU B 56 -5.995 -4.758 4.191 1.00 40.41 H new ATOM 0 HB3 LEU B 56 -5.268 -3.319 4.877 1.00 40.41 H new ATOM 0 HG LEU B 56 -5.991 -2.731 2.695 1.00 30.44 H new ATOM 0 HD11 LEU B 56 -3.935 -2.107 1.487 1.00 21.44 H new ATOM 0 HD12 LEU B 56 -3.830 -1.778 3.233 1.00 21.44 H new ATOM 0 HD13 LEU B 56 -2.998 -3.192 2.543 1.00 21.44 H new ATOM 0 HD21 LEU B 56 -5.390 -3.927 0.621 1.00 74.24 H new ATOM 0 HD22 LEU B 56 -4.596 -5.190 1.592 1.00 74.24 H new ATOM 0 HD23 LEU B 56 -6.350 -4.929 1.734 1.00 74.24 H new ATOM 2457 N LEU B 57 -2.952 -5.068 6.763 1.00 24.41 N ATOM 2458 CA LEU B 57 -2.906 -5.334 8.203 1.00 45.23 C ATOM 2459 C LEU B 57 -3.550 -4.142 8.912 1.00 54.11 C ATOM 2460 O LEU B 57 -2.988 -3.050 8.910 1.00 65.23 O ATOM 2461 CB LEU B 57 -1.437 -5.538 8.687 1.00 14.35 C ATOM 2462 CG LEU B 57 -0.783 -6.935 8.417 1.00 23.31 C ATOM 2463 CD1 LEU B 57 -0.809 -7.332 6.925 1.00 5.11 C ATOM 2464 CD2 LEU B 57 0.651 -6.975 8.996 1.00 64.05 C ATOM 0 H LEU B 57 -2.112 -4.607 6.412 1.00 24.41 H new ATOM 0 HA LEU B 57 -3.447 -6.252 8.434 1.00 45.23 H new ATOM 0 HB2 LEU B 57 -0.816 -4.777 8.214 1.00 14.35 H new ATOM 0 HB3 LEU B 57 -1.406 -5.352 9.761 1.00 14.35 H new ATOM 0 HG LEU B 57 -1.387 -7.682 8.932 1.00 23.31 H new ATOM 0 HD11 LEU B 57 -0.342 -8.309 6.800 1.00 5.11 H new ATOM 0 HD12 LEU B 57 -1.841 -7.376 6.578 1.00 5.11 H new ATOM 0 HD13 LEU B 57 -0.262 -6.591 6.342 1.00 5.11 H new ATOM 0 HD21 LEU B 57 1.095 -7.951 8.802 1.00 64.05 H new ATOM 0 HD22 LEU B 57 1.256 -6.201 8.524 1.00 64.05 H new ATOM 0 HD23 LEU B 57 0.614 -6.801 10.071 1.00 64.05 H new ATOM 2476 N VAL B 58 -4.751 -4.353 9.453 1.00 74.11 N ATOM 2477 CA VAL B 58 -5.526 -3.302 10.135 1.00 33.24 C ATOM 2478 C VAL B 58 -6.419 -3.942 11.201 1.00 31.32 C ATOM 2479 O VAL B 58 -6.903 -5.054 11.010 1.00 32.03 O ATOM 2480 CB VAL B 58 -6.413 -2.491 9.104 1.00 30.31 C ATOM 2481 CG1 VAL B 58 -7.468 -3.389 8.412 1.00 21.34 C ATOM 2482 CG2 VAL B 58 -7.065 -1.248 9.765 1.00 50.35 C ATOM 0 H VAL B 58 -5.220 -5.259 9.433 1.00 74.11 H new ATOM 0 HA VAL B 58 -4.832 -2.605 10.605 1.00 33.24 H new ATOM 0 HB VAL B 58 -5.743 -2.131 8.324 1.00 30.31 H new ATOM 0 HG11 VAL B 58 -8.053 -2.791 7.714 1.00 21.34 H new ATOM 0 HG12 VAL B 58 -6.965 -4.190 7.871 1.00 21.34 H new ATOM 0 HG13 VAL B 58 -8.129 -3.819 9.164 1.00 21.34 H new ATOM 0 HG21 VAL B 58 -7.666 -0.717 9.027 1.00 50.35 H new ATOM 0 HG22 VAL B 58 -7.702 -1.567 10.590 1.00 50.35 H new ATOM 0 HG23 VAL B 58 -6.286 -0.586 10.143 1.00 50.35 H new ATOM 2492 N ASN B 59 -6.621 -3.260 12.330 1.00 31.12 N ATOM 2493 CA ASN B 59 -7.628 -3.684 13.311 1.00 51.14 C ATOM 2494 C ASN B 59 -9.033 -3.380 12.749 1.00 4.21 C ATOM 2495 O ASN B 59 -9.397 -2.216 12.548 1.00 71.05 O ATOM 2496 CB ASN B 59 -7.376 -3.044 14.698 1.00 40.23 C ATOM 2497 CG ASN B 59 -7.169 -1.525 14.691 1.00 73.12 C ATOM 2498 OD1 ASN B 59 -8.119 -0.748 14.773 1.00 2.31 O ATOM 2499 ND2 ASN B 59 -5.919 -1.093 14.638 1.00 24.32 N ATOM 0 H ASN B 59 -6.106 -2.418 12.589 1.00 31.12 H new ATOM 0 HA ASN B 59 -7.554 -4.759 13.474 1.00 51.14 H new ATOM 0 HB2 ASN B 59 -8.221 -3.276 15.346 1.00 40.23 H new ATOM 0 HB3 ASN B 59 -6.497 -3.512 15.141 1.00 40.23 H new ATOM 0 HD21 ASN B 59 -5.724 -0.092 14.665 1.00 24.32 H new ATOM 0 HD22 ASN B 59 -5.151 -1.761 14.570 1.00 24.32 H new ATOM 2506 N ASP B 60 -9.787 -4.452 12.449 1.00 43.32 N ATOM 2507 CA ASP B 60 -11.073 -4.377 11.734 1.00 62.42 C ATOM 2508 C ASP B 60 -12.200 -3.849 12.632 1.00 34.45 C ATOM 2509 O ASP B 60 -12.017 -3.647 13.836 1.00 71.13 O ATOM 2510 CB ASP B 60 -11.442 -5.774 11.160 1.00 73.14 C ATOM 2511 CG ASP B 60 -11.935 -6.790 12.214 1.00 31.00 C ATOM 2512 OD1 ASP B 60 -11.182 -7.082 13.170 1.00 21.22 O ATOM 2513 OD2 ASP B 60 -13.066 -7.320 12.078 1.00 43.41 O ATOM 0 H ASP B 60 -9.518 -5.404 12.698 1.00 43.32 H new ATOM 0 HA ASP B 60 -10.957 -3.669 10.914 1.00 62.42 H new ATOM 0 HB2 ASP B 60 -12.217 -5.649 10.404 1.00 73.14 H new ATOM 0 HB3 ASP B 60 -10.569 -6.188 10.656 1.00 73.14 H new ATOM 2518 N ASP B 61 -13.374 -3.658 12.026 1.00 54.02 N ATOM 2519 CA ASP B 61 -14.551 -3.111 12.703 1.00 2.31 C ATOM 2520 C ASP B 61 -15.812 -3.835 12.190 1.00 45.31 C ATOM 2521 O ASP B 61 -15.775 -4.483 11.134 1.00 32.01 O ATOM 2522 CB ASP B 61 -14.614 -1.580 12.451 1.00 42.21 C ATOM 2523 CG ASP B 61 -15.601 -0.845 13.364 1.00 43.41 C ATOM 2524 OD1 ASP B 61 -16.790 -0.747 13.015 1.00 31.45 O ATOM 2525 OD2 ASP B 61 -15.185 -0.323 14.420 1.00 53.22 O ATOM 0 H ASP B 61 -13.535 -3.881 11.044 1.00 54.02 H new ATOM 0 HA ASP B 61 -14.490 -3.271 13.779 1.00 2.31 H new ATOM 0 HB2 ASP B 61 -13.619 -1.157 12.591 1.00 42.21 H new ATOM 0 HB3 ASP B 61 -14.893 -1.403 11.412 1.00 42.21 H new ATOM 2530 N GLN B 62 -16.914 -3.717 12.954 1.00 34.30 N ATOM 2531 CA GLN B 62 -18.235 -4.277 12.586 1.00 2.33 C ATOM 2532 C GLN B 62 -18.731 -3.675 11.253 1.00 3.04 C ATOM 2533 O GLN B 62 -19.293 -4.373 10.400 1.00 52.03 O ATOM 2534 CB GLN B 62 -19.259 -4.000 13.722 1.00 21.12 C ATOM 2535 CG GLN B 62 -18.829 -4.529 15.105 1.00 24.14 C ATOM 2536 CD GLN B 62 -19.849 -4.230 16.211 1.00 2.11 C ATOM 2537 OE1 GLN B 62 -20.740 -5.033 16.482 1.00 2.25 O ATOM 2538 NE2 GLN B 62 -19.727 -3.078 16.856 1.00 0.25 N ATOM 0 H GLN B 62 -16.917 -3.228 13.849 1.00 34.30 H new ATOM 0 HA GLN B 62 -18.135 -5.354 12.454 1.00 2.33 H new ATOM 0 HB2 GLN B 62 -19.424 -2.925 13.792 1.00 21.12 H new ATOM 0 HB3 GLN B 62 -20.214 -4.452 13.453 1.00 21.12 H new ATOM 0 HG2 GLN B 62 -18.676 -5.606 15.043 1.00 24.14 H new ATOM 0 HG3 GLN B 62 -17.870 -4.086 15.374 1.00 24.14 H new ATOM 0 HE21 GLN B 62 -18.977 -2.432 16.609 1.00 0.25 H new ATOM 0 HE22 GLN B 62 -20.383 -2.838 17.599 1.00 0.25 H new ATOM 2547 N ARG B 63 -18.467 -2.369 11.096 1.00 75.23 N ATOM 2548 CA ARG B 63 -18.819 -1.583 9.906 1.00 53.42 C ATOM 2549 C ARG B 63 -17.821 -1.833 8.769 1.00 14.43 C ATOM 2550 O ARG B 63 -18.181 -1.730 7.594 1.00 13.43 O ATOM 2551 CB ARG B 63 -18.831 -0.076 10.264 1.00 71.22 C ATOM 2552 CG ARG B 63 -19.797 0.295 11.407 1.00 63.04 C ATOM 2553 CD ARG B 63 -19.759 1.789 11.755 1.00 4.30 C ATOM 2554 NE ARG B 63 -20.708 2.124 12.822 1.00 12.44 N ATOM 2555 CZ ARG B 63 -21.084 3.370 13.152 1.00 32.42 C ATOM 2556 NH1 ARG B 63 -20.598 4.428 12.500 1.00 5.44 N ATOM 2557 NH2 ARG B 63 -21.941 3.552 14.141 1.00 62.11 N ATOM 0 H ARG B 63 -17.991 -1.818 11.811 1.00 75.23 H new ATOM 0 HA ARG B 63 -19.809 -1.891 9.570 1.00 53.42 H new ATOM 0 HB2 ARG B 63 -17.822 0.228 10.543 1.00 71.22 H new ATOM 0 HB3 ARG B 63 -19.101 0.495 9.376 1.00 71.22 H new ATOM 0 HG2 ARG B 63 -20.812 0.018 11.123 1.00 63.04 H new ATOM 0 HG3 ARG B 63 -19.544 -0.287 12.294 1.00 63.04 H new ATOM 0 HD2 ARG B 63 -18.751 2.064 12.065 1.00 4.30 H new ATOM 0 HD3 ARG B 63 -19.990 2.375 10.866 1.00 4.30 H new ATOM 0 HE ARG B 63 -21.113 1.353 13.353 1.00 12.44 H new ATOM 0 HH11 ARG B 63 -19.931 4.296 11.739 1.00 5.44 H new ATOM 0 HH12 ARG B 63 -20.893 5.368 12.762 1.00 5.44 H new ATOM 0 HH21 ARG B 63 -22.312 2.749 14.648 1.00 62.11 H new ATOM 0 HH22 ARG B 63 -22.231 4.496 14.397 1.00 62.11 H new ATOM 2571 N LEU B 64 -16.559 -2.151 9.144 1.00 3.02 N ATOM 2572 CA LEU B 64 -15.490 -2.432 8.169 1.00 60.43 C ATOM 2573 C LEU B 64 -15.837 -3.682 7.343 1.00 4.21 C ATOM 2574 O LEU B 64 -15.518 -3.745 6.170 1.00 53.41 O ATOM 2575 CB LEU B 64 -14.113 -2.640 8.852 1.00 52.25 C ATOM 2576 CG LEU B 64 -12.858 -2.559 7.891 1.00 74.04 C ATOM 2577 CD1 LEU B 64 -12.150 -1.191 7.992 1.00 43.02 C ATOM 2578 CD2 LEU B 64 -11.868 -3.730 8.106 1.00 22.23 C ATOM 0 H LEU B 64 -16.261 -2.218 10.117 1.00 3.02 H new ATOM 0 HA LEU B 64 -15.417 -1.561 7.518 1.00 60.43 H new ATOM 0 HB2 LEU B 64 -13.998 -1.891 9.635 1.00 52.25 H new ATOM 0 HB3 LEU B 64 -14.113 -3.614 9.341 1.00 52.25 H new ATOM 0 HG LEU B 64 -13.240 -2.658 6.875 1.00 74.04 H new ATOM 0 HD11 LEU B 64 -11.294 -1.174 7.318 1.00 43.02 H new ATOM 0 HD12 LEU B 64 -12.846 -0.400 7.715 1.00 43.02 H new ATOM 0 HD13 LEU B 64 -11.809 -1.032 9.015 1.00 43.02 H new ATOM 0 HD21 LEU B 64 -11.026 -3.625 7.422 1.00 22.23 H new ATOM 0 HD22 LEU B 64 -11.504 -3.715 9.133 1.00 22.23 H new ATOM 0 HD23 LEU B 64 -12.376 -4.675 7.915 1.00 22.23 H new ATOM 2590 N GLU B 65 -16.519 -4.654 7.988 1.00 5.03 N ATOM 2591 CA GLU B 65 -17.018 -5.886 7.331 1.00 61.11 C ATOM 2592 C GLU B 65 -17.981 -5.549 6.175 1.00 21.01 C ATOM 2593 O GLU B 65 -17.942 -6.171 5.109 1.00 52.40 O ATOM 2594 CB GLU B 65 -17.726 -6.784 8.376 1.00 73.34 C ATOM 2595 CG GLU B 65 -16.828 -7.218 9.546 1.00 74.34 C ATOM 2596 CD GLU B 65 -17.577 -8.035 10.602 1.00 40.51 C ATOM 2597 OE1 GLU B 65 -17.742 -9.252 10.417 1.00 64.02 O ATOM 2598 OE2 GLU B 65 -18.004 -7.469 11.623 1.00 23.43 O ATOM 0 H GLU B 65 -16.740 -4.607 8.983 1.00 5.03 H new ATOM 0 HA GLU B 65 -16.167 -6.422 6.911 1.00 61.11 H new ATOM 0 HB2 GLU B 65 -18.588 -6.249 8.774 1.00 73.34 H new ATOM 0 HB3 GLU B 65 -18.107 -7.674 7.875 1.00 73.34 H new ATOM 0 HG2 GLU B 65 -15.997 -7.808 9.160 1.00 74.34 H new ATOM 0 HG3 GLU B 65 -16.399 -6.333 10.016 1.00 74.34 H new ATOM 2605 N GLN B 66 -18.822 -4.530 6.405 1.00 35.40 N ATOM 2606 CA GLN B 66 -19.773 -4.021 5.396 1.00 13.22 C ATOM 2607 C GLN B 66 -19.028 -3.265 4.272 1.00 62.05 C ATOM 2608 O GLN B 66 -19.453 -3.275 3.112 1.00 11.24 O ATOM 2609 CB GLN B 66 -20.822 -3.107 6.082 1.00 33.15 C ATOM 2610 CG GLN B 66 -21.590 -3.774 7.243 1.00 64.35 C ATOM 2611 CD GLN B 66 -22.346 -5.044 6.837 1.00 34.32 C ATOM 2612 OE1 GLN B 66 -21.817 -6.155 6.918 1.00 20.53 O ATOM 2613 NE2 GLN B 66 -23.580 -4.888 6.385 1.00 32.34 N ATOM 0 H GLN B 66 -18.865 -4.033 7.295 1.00 35.40 H new ATOM 0 HA GLN B 66 -20.290 -4.864 4.938 1.00 13.22 H new ATOM 0 HB2 GLN B 66 -20.318 -2.217 6.460 1.00 33.15 H new ATOM 0 HB3 GLN B 66 -21.540 -2.773 5.333 1.00 33.15 H new ATOM 0 HG2 GLN B 66 -20.886 -4.020 8.038 1.00 64.35 H new ATOM 0 HG3 GLN B 66 -22.299 -3.057 7.656 1.00 64.35 H new ATOM 0 HE21 GLN B 66 -23.989 -3.955 6.330 1.00 32.34 H new ATOM 0 HE22 GLN B 66 -24.122 -5.701 6.091 1.00 32.34 H new ATOM 2622 N MET B 67 -17.898 -2.635 4.642 1.00 42.15 N ATOM 2623 CA MET B 67 -17.005 -1.929 3.696 1.00 42.03 C ATOM 2624 C MET B 67 -16.233 -2.942 2.812 1.00 72.31 C ATOM 2625 O MET B 67 -15.952 -2.666 1.645 1.00 43.42 O ATOM 2626 CB MET B 67 -16.026 -1.009 4.485 1.00 3.45 C ATOM 2627 CG MET B 67 -16.718 0.107 5.279 1.00 73.04 C ATOM 2628 SD MET B 67 -15.583 1.049 6.322 1.00 10.50 S ATOM 2629 CE MET B 67 -16.728 2.148 7.159 1.00 4.34 C ATOM 0 H MET B 67 -17.575 -2.599 5.609 1.00 42.15 H new ATOM 0 HA MET B 67 -17.607 -1.307 3.033 1.00 42.03 H new ATOM 0 HB2 MET B 67 -15.443 -1.622 5.173 1.00 3.45 H new ATOM 0 HB3 MET B 67 -15.323 -0.559 3.784 1.00 3.45 H new ATOM 0 HG2 MET B 67 -17.211 0.787 4.584 1.00 73.04 H new ATOM 0 HG3 MET B 67 -17.497 -0.330 5.904 1.00 73.04 H new ATOM 0 HE1 MET B 67 -16.309 3.154 7.191 1.00 4.34 H new ATOM 0 HE2 MET B 67 -17.675 2.166 6.619 1.00 4.34 H new ATOM 0 HE3 MET B 67 -16.897 1.792 8.175 1.00 4.34 H new ATOM 2639 N ILE B 68 -15.930 -4.123 3.392 1.00 34.12 N ATOM 2640 CA ILE B 68 -15.305 -5.266 2.681 1.00 51.22 C ATOM 2641 C ILE B 68 -16.314 -5.855 1.669 1.00 5.51 C ATOM 2642 O ILE B 68 -15.957 -6.199 0.537 1.00 20.10 O ATOM 2643 CB ILE B 68 -14.837 -6.380 3.704 1.00 70.10 C ATOM 2644 CG1 ILE B 68 -13.757 -5.815 4.686 1.00 24.32 C ATOM 2645 CG2 ILE B 68 -14.314 -7.653 2.985 1.00 33.40 C ATOM 2646 CD1 ILE B 68 -13.470 -6.701 5.886 1.00 33.23 C ATOM 0 H ILE B 68 -16.113 -4.315 4.377 1.00 34.12 H new ATOM 0 HA ILE B 68 -14.423 -4.910 2.148 1.00 51.22 H new ATOM 0 HB ILE B 68 -15.714 -6.673 4.282 1.00 70.10 H new ATOM 0 HG12 ILE B 68 -12.829 -5.660 4.135 1.00 24.32 H new ATOM 0 HG13 ILE B 68 -14.084 -4.838 5.042 1.00 24.32 H new ATOM 0 HG21 ILE B 68 -14.004 -8.389 3.727 1.00 33.40 H new ATOM 0 HG22 ILE B 68 -15.107 -8.073 2.366 1.00 33.40 H new ATOM 0 HG23 ILE B 68 -13.463 -7.392 2.356 1.00 33.40 H new ATOM 0 HD11 ILE B 68 -12.711 -6.232 6.511 1.00 33.23 H new ATOM 0 HD12 ILE B 68 -14.384 -6.837 6.465 1.00 33.23 H new ATOM 0 HD13 ILE B 68 -13.110 -7.671 5.544 1.00 33.23 H new ATOM 2658 N SER B 69 -17.586 -5.916 2.099 1.00 44.41 N ATOM 2659 CA SER B 69 -18.703 -6.373 1.258 1.00 4.43 C ATOM 2660 C SER B 69 -18.947 -5.393 0.084 1.00 4.44 C ATOM 2661 O SER B 69 -19.360 -5.811 -1.003 1.00 1.33 O ATOM 2662 CB SER B 69 -19.977 -6.526 2.127 1.00 32.31 C ATOM 2663 OG SER B 69 -21.083 -7.012 1.373 1.00 54.41 O ATOM 0 H SER B 69 -17.868 -5.649 3.042 1.00 44.41 H new ATOM 0 HA SER B 69 -18.450 -7.342 0.828 1.00 4.43 H new ATOM 0 HB2 SER B 69 -19.773 -7.208 2.952 1.00 32.31 H new ATOM 0 HB3 SER B 69 -20.234 -5.562 2.567 1.00 32.31 H new ATOM 0 HG SER B 69 -21.865 -7.096 1.957 1.00 54.41 H new ATOM 2669 N GLN B 70 -18.662 -4.090 0.316 1.00 45.11 N ATOM 2670 CA GLN B 70 -18.867 -3.022 -0.680 1.00 11.22 C ATOM 2671 C GLN B 70 -17.729 -3.044 -1.718 1.00 51.31 C ATOM 2672 O GLN B 70 -17.985 -3.010 -2.927 1.00 71.01 O ATOM 2673 CB GLN B 70 -18.962 -1.640 0.046 1.00 34.14 C ATOM 2674 CG GLN B 70 -19.311 -0.411 -0.848 1.00 72.02 C ATOM 2675 CD GLN B 70 -18.142 0.163 -1.666 1.00 3.13 C ATOM 2676 OE1 GLN B 70 -18.333 0.659 -2.773 1.00 43.24 O ATOM 2677 NE2 GLN B 70 -16.932 0.152 -1.114 1.00 32.13 N ATOM 0 H GLN B 70 -18.283 -3.754 1.201 1.00 45.11 H new ATOM 0 HA GLN B 70 -19.803 -3.188 -1.214 1.00 11.22 H new ATOM 0 HB2 GLN B 70 -19.715 -1.717 0.830 1.00 34.14 H new ATOM 0 HB3 GLN B 70 -18.009 -1.446 0.537 1.00 34.14 H new ATOM 0 HG2 GLN B 70 -20.107 -0.698 -1.535 1.00 72.02 H new ATOM 0 HG3 GLN B 70 -19.709 0.379 -0.211 1.00 72.02 H new ATOM 0 HE21 GLN B 70 -16.795 -0.265 -0.193 1.00 32.13 H new ATOM 0 HE22 GLN B 70 -16.141 0.561 -1.611 1.00 32.13 H new ATOM 2686 N ILE B 71 -16.470 -3.106 -1.224 1.00 43.15 N ATOM 2687 CA ILE B 71 -15.257 -3.048 -2.078 1.00 14.43 C ATOM 2688 C ILE B 71 -15.163 -4.289 -2.992 1.00 62.41 C ATOM 2689 O ILE B 71 -14.630 -4.219 -4.102 1.00 63.01 O ATOM 2690 CB ILE B 71 -13.932 -2.885 -1.233 1.00 64.24 C ATOM 2691 CG1 ILE B 71 -12.736 -2.476 -2.154 1.00 22.11 C ATOM 2692 CG2 ILE B 71 -13.603 -4.156 -0.412 1.00 1.22 C ATOM 2693 CD1 ILE B 71 -11.380 -2.422 -1.473 1.00 74.01 C ATOM 0 H ILE B 71 -16.266 -3.197 -0.229 1.00 43.15 H new ATOM 0 HA ILE B 71 -15.356 -2.159 -2.701 1.00 14.43 H new ATOM 0 HB ILE B 71 -14.100 -2.083 -0.514 1.00 64.24 H new ATOM 0 HG12 ILE B 71 -12.680 -3.182 -2.983 1.00 22.11 H new ATOM 0 HG13 ILE B 71 -12.948 -1.497 -2.583 1.00 22.11 H new ATOM 0 HG21 ILE B 71 -12.684 -3.997 0.152 1.00 1.22 H new ATOM 0 HG22 ILE B 71 -14.421 -4.366 0.278 1.00 1.22 H new ATOM 0 HG23 ILE B 71 -13.472 -5.002 -1.087 1.00 1.22 H new ATOM 0 HD11 ILE B 71 -10.620 -2.129 -2.198 1.00 74.01 H new ATOM 0 HD12 ILE B 71 -11.409 -1.694 -0.663 1.00 74.01 H new ATOM 0 HD13 ILE B 71 -11.136 -3.405 -1.069 1.00 74.01 H new ATOM 2705 N ASP B 72 -15.731 -5.404 -2.500 1.00 60.44 N ATOM 2706 CA ASP B 72 -15.818 -6.680 -3.228 1.00 33.31 C ATOM 2707 C ASP B 72 -16.539 -6.524 -4.588 1.00 22.23 C ATOM 2708 O ASP B 72 -16.260 -7.257 -5.539 1.00 73.40 O ATOM 2709 CB ASP B 72 -16.563 -7.712 -2.342 1.00 11.33 C ATOM 2710 CG ASP B 72 -16.769 -9.074 -3.029 1.00 74.42 C ATOM 2711 OD1 ASP B 72 -15.769 -9.778 -3.279 1.00 51.32 O ATOM 2712 OD2 ASP B 72 -17.931 -9.450 -3.318 1.00 1.21 O ATOM 0 H ASP B 72 -16.149 -5.443 -1.570 1.00 60.44 H new ATOM 0 HA ASP B 72 -14.806 -7.025 -3.441 1.00 33.31 H new ATOM 0 HB2 ASP B 72 -16.001 -7.860 -1.420 1.00 11.33 H new ATOM 0 HB3 ASP B 72 -17.534 -7.305 -2.062 1.00 11.33 H new ATOM 2717 N LYS B 73 -17.467 -5.552 -4.657 1.00 50.11 N ATOM 2718 CA LYS B 73 -18.326 -5.326 -5.841 1.00 13.42 C ATOM 2719 C LYS B 73 -17.663 -4.381 -6.870 1.00 43.12 C ATOM 2720 O LYS B 73 -18.218 -4.155 -7.953 1.00 62.14 O ATOM 2721 CB LYS B 73 -19.708 -4.773 -5.387 1.00 70.22 C ATOM 2722 CG LYS B 73 -20.345 -5.540 -4.206 1.00 43.15 C ATOM 2723 CD LYS B 73 -20.460 -7.065 -4.452 1.00 75.35 C ATOM 2724 CE LYS B 73 -20.934 -7.826 -3.209 1.00 11.22 C ATOM 2725 NZ LYS B 73 -20.903 -9.296 -3.431 1.00 4.20 N ATOM 0 H LYS B 73 -17.645 -4.899 -3.894 1.00 50.11 H new ATOM 0 HA LYS B 73 -18.468 -6.283 -6.342 1.00 13.42 H new ATOM 0 HB2 LYS B 73 -19.592 -3.727 -5.105 1.00 70.22 H new ATOM 0 HB3 LYS B 73 -20.393 -4.801 -6.234 1.00 70.22 H new ATOM 0 HG2 LYS B 73 -19.751 -5.368 -3.308 1.00 43.15 H new ATOM 0 HG3 LYS B 73 -21.338 -5.135 -4.013 1.00 43.15 H new ATOM 0 HD2 LYS B 73 -21.155 -7.246 -5.272 1.00 75.35 H new ATOM 0 HD3 LYS B 73 -19.491 -7.454 -4.764 1.00 75.35 H new ATOM 0 HE2 LYS B 73 -20.300 -7.571 -2.360 1.00 11.22 H new ATOM 0 HE3 LYS B 73 -21.947 -7.516 -2.955 1.00 11.22 H new ATOM 0 HZ1 LYS B 73 -21.428 -9.773 -2.671 1.00 4.20 H new ATOM 0 HZ2 LYS B 73 -21.342 -9.518 -4.347 1.00 4.20 H new ATOM 0 HZ3 LYS B 73 -19.917 -9.626 -3.431 1.00 4.20 H new ATOM 2739 N LEU B 74 -16.480 -3.839 -6.526 1.00 52.52 N ATOM 2740 CA LEU B 74 -15.667 -3.003 -7.439 1.00 25.31 C ATOM 2741 C LEU B 74 -14.916 -3.898 -8.443 1.00 65.21 C ATOM 2742 O LEU B 74 -14.351 -4.920 -8.057 1.00 52.13 O ATOM 2743 CB LEU B 74 -14.670 -2.108 -6.633 1.00 64.10 C ATOM 2744 CG LEU B 74 -15.222 -0.749 -6.081 1.00 44.31 C ATOM 2745 CD1 LEU B 74 -15.650 0.185 -7.236 1.00 4.43 C ATOM 2746 CD2 LEU B 74 -16.375 -0.954 -5.072 1.00 33.03 C ATOM 0 H LEU B 74 -16.057 -3.967 -5.606 1.00 52.52 H new ATOM 0 HA LEU B 74 -16.332 -2.341 -7.994 1.00 25.31 H new ATOM 0 HB2 LEU B 74 -14.298 -2.690 -5.790 1.00 64.10 H new ATOM 0 HB3 LEU B 74 -13.815 -1.891 -7.273 1.00 64.10 H new ATOM 0 HG LEU B 74 -14.408 -0.269 -5.539 1.00 44.31 H new ATOM 0 HD11 LEU B 74 -16.029 1.121 -6.826 1.00 4.43 H new ATOM 0 HD12 LEU B 74 -14.791 0.391 -7.875 1.00 4.43 H new ATOM 0 HD13 LEU B 74 -16.432 -0.297 -7.823 1.00 4.43 H new ATOM 0 HD21 LEU B 74 -16.725 0.016 -4.717 1.00 33.03 H new ATOM 0 HD22 LEU B 74 -17.196 -1.480 -5.560 1.00 33.03 H new ATOM 0 HD23 LEU B 74 -16.018 -1.543 -4.227 1.00 33.03 H new ATOM 2758 N GLU B 75 -14.893 -3.471 -9.722 1.00 11.15 N ATOM 2759 CA GLU B 75 -14.365 -4.279 -10.855 1.00 5.44 C ATOM 2760 C GLU B 75 -12.830 -4.414 -10.806 1.00 22.42 C ATOM 2761 O GLU B 75 -12.250 -5.252 -11.512 1.00 34.22 O ATOM 2762 CB GLU B 75 -14.820 -3.660 -12.202 1.00 61.33 C ATOM 2763 CG GLU B 75 -16.352 -3.568 -12.370 1.00 55.51 C ATOM 2764 CD GLU B 75 -16.785 -2.950 -13.708 1.00 64.14 C ATOM 2765 OE1 GLU B 75 -16.640 -1.720 -13.877 1.00 12.11 O ATOM 2766 OE2 GLU B 75 -17.275 -3.687 -14.593 1.00 11.22 O ATOM 0 H GLU B 75 -15.240 -2.555 -10.005 1.00 11.15 H new ATOM 0 HA GLU B 75 -14.774 -5.285 -10.766 1.00 5.44 H new ATOM 0 HB2 GLU B 75 -14.395 -2.660 -12.292 1.00 61.33 H new ATOM 0 HB3 GLU B 75 -14.411 -4.255 -13.019 1.00 61.33 H new ATOM 0 HG2 GLU B 75 -16.780 -4.567 -12.285 1.00 55.51 H new ATOM 0 HG3 GLU B 75 -16.764 -2.974 -11.554 1.00 55.51 H new ATOM 2773 N ASP B 76 -12.182 -3.573 -9.993 1.00 32.01 N ATOM 2774 CA ASP B 76 -10.747 -3.695 -9.701 1.00 62.01 C ATOM 2775 C ASP B 76 -10.504 -4.895 -8.776 1.00 52.43 C ATOM 2776 O ASP B 76 -9.679 -5.761 -9.092 1.00 43.13 O ATOM 2777 CB ASP B 76 -10.173 -2.377 -9.114 1.00 33.15 C ATOM 2778 CG ASP B 76 -11.033 -1.758 -8.002 1.00 43.15 C ATOM 2779 OD1 ASP B 76 -12.037 -1.101 -8.336 1.00 52.14 O ATOM 2780 OD2 ASP B 76 -10.720 -1.911 -6.806 1.00 3.44 O ATOM 0 H ASP B 76 -12.634 -2.791 -9.520 1.00 32.01 H new ATOM 0 HA ASP B 76 -10.212 -3.874 -10.634 1.00 62.01 H new ATOM 0 HB2 ASP B 76 -9.175 -2.571 -8.721 1.00 33.15 H new ATOM 0 HB3 ASP B 76 -10.062 -1.651 -9.920 1.00 33.15 H new ATOM 2785 N VAL B 77 -11.252 -4.954 -7.659 1.00 10.41 N ATOM 2786 CA VAL B 77 -11.231 -6.097 -6.734 1.00 50.54 C ATOM 2787 C VAL B 77 -11.893 -7.319 -7.395 1.00 44.23 C ATOM 2788 O VAL B 77 -13.120 -7.420 -7.480 1.00 52.13 O ATOM 2789 CB VAL B 77 -11.922 -5.742 -5.362 1.00 20.44 C ATOM 2790 CG1 VAL B 77 -12.091 -6.967 -4.438 1.00 31.20 C ATOM 2791 CG2 VAL B 77 -11.133 -4.639 -4.636 1.00 60.42 C ATOM 0 H VAL B 77 -11.888 -4.209 -7.374 1.00 10.41 H new ATOM 0 HA VAL B 77 -10.192 -6.342 -6.512 1.00 50.54 H new ATOM 0 HB VAL B 77 -12.923 -5.383 -5.600 1.00 20.44 H new ATOM 0 HG11 VAL B 77 -12.572 -6.659 -3.510 1.00 31.20 H new ATOM 0 HG12 VAL B 77 -12.708 -7.716 -4.935 1.00 31.20 H new ATOM 0 HG13 VAL B 77 -11.113 -7.393 -4.215 1.00 31.20 H new ATOM 0 HG21 VAL B 77 -11.622 -4.404 -3.690 1.00 60.42 H new ATOM 0 HG22 VAL B 77 -10.117 -4.985 -4.443 1.00 60.42 H new ATOM 0 HG23 VAL B 77 -11.100 -3.745 -5.259 1.00 60.42 H new ATOM 2801 N VAL B 78 -11.044 -8.219 -7.899 1.00 4.40 N ATOM 2802 CA VAL B 78 -11.474 -9.470 -8.545 1.00 74.24 C ATOM 2803 C VAL B 78 -11.993 -10.447 -7.470 1.00 1.31 C ATOM 2804 O VAL B 78 -12.976 -11.164 -7.675 1.00 53.45 O ATOM 2805 CB VAL B 78 -10.292 -10.141 -9.350 1.00 34.30 C ATOM 2806 CG1 VAL B 78 -10.803 -11.252 -10.293 1.00 11.34 C ATOM 2807 CG2 VAL B 78 -9.463 -9.089 -10.123 1.00 33.42 C ATOM 0 H VAL B 78 -10.031 -8.103 -7.872 1.00 4.40 H new ATOM 0 HA VAL B 78 -12.269 -9.235 -9.252 1.00 74.24 H new ATOM 0 HB VAL B 78 -9.632 -10.610 -8.620 1.00 34.30 H new ATOM 0 HG11 VAL B 78 -9.961 -11.690 -10.829 1.00 11.34 H new ATOM 0 HG12 VAL B 78 -11.302 -12.025 -9.708 1.00 11.34 H new ATOM 0 HG13 VAL B 78 -11.507 -10.827 -11.008 1.00 11.34 H new ATOM 0 HG21 VAL B 78 -8.659 -9.586 -10.665 1.00 33.42 H new ATOM 0 HG22 VAL B 78 -10.107 -8.566 -10.829 1.00 33.42 H new ATOM 0 HG23 VAL B 78 -9.038 -8.373 -9.420 1.00 33.42 H new ATOM 2817 N LYS B 79 -11.289 -10.452 -6.325 1.00 12.12 N ATOM 2818 CA LYS B 79 -11.611 -11.265 -5.133 1.00 62.42 C ATOM 2819 C LYS B 79 -11.224 -10.468 -3.879 1.00 20.24 C ATOM 2820 O LYS B 79 -10.309 -9.645 -3.929 1.00 23.31 O ATOM 2821 CB LYS B 79 -10.835 -12.619 -5.133 1.00 40.05 C ATOM 2822 CG LYS B 79 -11.137 -13.553 -6.323 1.00 13.24 C ATOM 2823 CD LYS B 79 -10.240 -14.816 -6.347 1.00 63.11 C ATOM 2824 CE LYS B 79 -10.583 -15.757 -7.512 1.00 63.40 C ATOM 2825 NZ LYS B 79 -11.991 -16.234 -7.444 1.00 22.24 N ATOM 0 H LYS B 79 -10.457 -9.876 -6.197 1.00 12.12 H new ATOM 0 HA LYS B 79 -12.678 -11.487 -5.144 1.00 62.42 H new ATOM 0 HB2 LYS B 79 -9.766 -12.406 -5.122 1.00 40.05 H new ATOM 0 HB3 LYS B 79 -11.064 -13.150 -4.209 1.00 40.05 H new ATOM 0 HG2 LYS B 79 -12.183 -13.858 -6.282 1.00 13.24 H new ATOM 0 HG3 LYS B 79 -11.003 -13.001 -7.253 1.00 13.24 H new ATOM 0 HD2 LYS B 79 -9.195 -14.515 -6.423 1.00 63.11 H new ATOM 0 HD3 LYS B 79 -10.349 -15.354 -5.405 1.00 63.11 H new ATOM 0 HE2 LYS B 79 -10.420 -15.239 -8.457 1.00 63.40 H new ATOM 0 HE3 LYS B 79 -9.909 -16.613 -7.498 1.00 63.40 H new ATOM 0 HZ1 LYS B 79 -12.130 -17.003 -8.130 1.00 22.24 H new ATOM 0 HZ2 LYS B 79 -12.193 -16.584 -6.486 1.00 22.24 H new ATOM 0 HZ3 LYS B 79 -12.635 -15.449 -7.669 1.00 22.24 H new ATOM 2839 N VAL B 80 -11.920 -10.713 -2.761 1.00 22.43 N ATOM 2840 CA VAL B 80 -11.544 -10.155 -1.440 1.00 72.34 C ATOM 2841 C VAL B 80 -11.514 -11.304 -0.415 1.00 74.20 C ATOM 2842 O VAL B 80 -12.288 -12.263 -0.521 1.00 63.43 O ATOM 2843 CB VAL B 80 -12.514 -8.990 -0.974 1.00 20.14 C ATOM 2844 CG1 VAL B 80 -13.896 -9.506 -0.515 1.00 50.52 C ATOM 2845 CG2 VAL B 80 -11.850 -8.097 0.108 1.00 45.42 C ATOM 0 H VAL B 80 -12.755 -11.298 -2.738 1.00 22.43 H new ATOM 0 HA VAL B 80 -10.556 -9.702 -1.520 1.00 72.34 H new ATOM 0 HB VAL B 80 -12.696 -8.371 -1.853 1.00 20.14 H new ATOM 0 HG11 VAL B 80 -14.515 -8.663 -0.208 1.00 50.52 H new ATOM 0 HG12 VAL B 80 -14.380 -10.031 -1.338 1.00 50.52 H new ATOM 0 HG13 VAL B 80 -13.769 -10.188 0.326 1.00 50.52 H new ATOM 0 HG21 VAL B 80 -12.542 -7.309 0.404 1.00 45.42 H new ATOM 0 HG22 VAL B 80 -11.598 -8.705 0.977 1.00 45.42 H new ATOM 0 HG23 VAL B 80 -10.942 -7.649 -0.297 1.00 45.42 H new ATOM 2855 N GLN B 81 -10.583 -11.229 0.544 1.00 55.05 N ATOM 2856 CA GLN B 81 -10.399 -12.255 1.591 1.00 70.20 C ATOM 2857 C GLN B 81 -10.158 -11.552 2.933 1.00 10.51 C ATOM 2858 O GLN B 81 -9.250 -10.725 3.057 1.00 61.13 O ATOM 2859 CB GLN B 81 -9.196 -13.185 1.233 1.00 61.32 C ATOM 2860 CG GLN B 81 -9.371 -14.019 -0.072 1.00 12.41 C ATOM 2861 CD GLN B 81 -8.076 -14.200 -0.870 1.00 22.15 C ATOM 2862 OE1 GLN B 81 -7.760 -13.402 -1.762 1.00 41.33 O ATOM 2863 NE2 GLN B 81 -7.303 -15.221 -0.538 1.00 71.03 N ATOM 0 H GLN B 81 -9.928 -10.450 0.620 1.00 55.05 H new ATOM 0 HA GLN B 81 -11.292 -12.875 1.661 1.00 70.20 H new ATOM 0 HB2 GLN B 81 -8.299 -12.573 1.137 1.00 61.32 H new ATOM 0 HB3 GLN B 81 -9.027 -13.870 2.064 1.00 61.32 H new ATOM 0 HG2 GLN B 81 -9.768 -15.001 0.186 1.00 12.41 H new ATOM 0 HG3 GLN B 81 -10.112 -13.532 -0.706 1.00 12.41 H new ATOM 0 HE21 GLN B 81 -7.593 -15.861 0.202 1.00 71.03 H new ATOM 0 HE22 GLN B 81 -6.417 -15.369 -1.022 1.00 71.03 H new ATOM 2872 N ARG B 82 -11.005 -11.862 3.914 1.00 24.32 N ATOM 2873 CA ARG B 82 -10.903 -11.343 5.281 1.00 74.23 C ATOM 2874 C ARG B 82 -10.394 -12.473 6.179 1.00 11.33 C ATOM 2875 O ARG B 82 -11.157 -13.351 6.586 1.00 32.31 O ATOM 2876 CB ARG B 82 -12.297 -10.782 5.713 1.00 71.41 C ATOM 2877 CG ARG B 82 -12.424 -10.235 7.171 1.00 0.50 C ATOM 2878 CD ARG B 82 -12.947 -11.282 8.186 1.00 11.31 C ATOM 2879 NE ARG B 82 -13.312 -10.681 9.480 1.00 42.34 N ATOM 2880 CZ ARG B 82 -14.566 -10.401 9.873 1.00 44.11 C ATOM 2881 NH1 ARG B 82 -15.604 -10.660 9.081 1.00 5.44 N ATOM 2882 NH2 ARG B 82 -14.776 -9.860 11.061 1.00 12.52 N ATOM 0 H ARG B 82 -11.796 -12.492 3.780 1.00 24.32 H new ATOM 0 HA ARG B 82 -10.196 -10.517 5.359 1.00 74.23 H new ATOM 0 HB2 ARG B 82 -12.566 -9.980 5.026 1.00 71.41 H new ATOM 0 HB3 ARG B 82 -13.035 -11.574 5.583 1.00 71.41 H new ATOM 0 HG2 ARG B 82 -11.449 -9.877 7.502 1.00 0.50 H new ATOM 0 HG3 ARG B 82 -13.095 -9.376 7.170 1.00 0.50 H new ATOM 0 HD2 ARG B 82 -13.817 -11.787 7.766 1.00 11.31 H new ATOM 0 HD3 ARG B 82 -12.182 -12.042 8.345 1.00 11.31 H new ATOM 0 HE ARG B 82 -12.555 -10.460 10.127 1.00 42.34 H new ATOM 0 HH11 ARG B 82 -15.453 -11.077 8.162 1.00 5.44 H new ATOM 0 HH12 ARG B 82 -16.550 -10.442 9.393 1.00 5.44 H new ATOM 0 HH21 ARG B 82 -13.988 -9.657 11.675 1.00 12.52 H new ATOM 0 HH22 ARG B 82 -15.726 -9.646 11.363 1.00 12.52 H new ATOM 2896 N ASN B 83 -9.080 -12.477 6.422 1.00 20.24 N ATOM 2897 CA ASN B 83 -8.407 -13.524 7.206 1.00 42.43 C ATOM 2898 C ASN B 83 -7.902 -12.914 8.515 1.00 71.14 C ATOM 2899 O ASN B 83 -7.043 -12.049 8.484 1.00 52.20 O ATOM 2900 CB ASN B 83 -7.209 -14.120 6.403 1.00 64.32 C ATOM 2901 CG ASN B 83 -7.599 -14.915 5.150 1.00 3.30 C ATOM 2902 OD1 ASN B 83 -8.611 -14.654 4.499 1.00 62.43 O ATOM 2903 ND2 ASN B 83 -6.783 -15.895 4.798 1.00 34.55 N ATOM 0 H ASN B 83 -8.448 -11.753 6.080 1.00 20.24 H new ATOM 0 HA ASN B 83 -9.113 -14.327 7.418 1.00 42.43 H new ATOM 0 HB2 ASN B 83 -6.549 -13.305 6.107 1.00 64.32 H new ATOM 0 HB3 ASN B 83 -6.636 -14.770 7.064 1.00 64.32 H new ATOM 0 HD21 ASN B 83 -6.986 -16.455 3.970 1.00 34.55 H new ATOM 0 HD22 ASN B 83 -5.951 -16.091 5.355 1.00 34.55 H new ATOM 2910 N GLN B 84 -8.445 -13.351 9.659 1.00 40.14 N ATOM 2911 CA GLN B 84 -7.924 -12.944 10.981 1.00 62.10 C ATOM 2912 C GLN B 84 -6.806 -13.932 11.367 1.00 3.42 C ATOM 2913 O GLN B 84 -7.062 -15.091 11.704 1.00 15.02 O ATOM 2914 CB GLN B 84 -9.070 -12.881 12.048 1.00 0.31 C ATOM 2915 CG GLN B 84 -9.922 -14.164 12.195 1.00 5.12 C ATOM 2916 CD GLN B 84 -10.955 -14.124 13.331 1.00 51.34 C ATOM 2917 OE1 GLN B 84 -12.017 -14.740 13.233 1.00 42.33 O ATOM 2918 NE2 GLN B 84 -10.647 -13.436 14.424 1.00 3.53 N ATOM 0 H GLN B 84 -9.243 -13.985 9.701 1.00 40.14 H new ATOM 0 HA GLN B 84 -7.512 -11.936 10.938 1.00 62.10 H new ATOM 0 HB2 GLN B 84 -8.627 -12.648 13.016 1.00 0.31 H new ATOM 0 HB3 GLN B 84 -9.733 -12.054 11.794 1.00 0.31 H new ATOM 0 HG2 GLN B 84 -10.443 -14.347 11.255 1.00 5.12 H new ATOM 0 HG3 GLN B 84 -9.254 -15.010 12.359 1.00 5.12 H new ATOM 0 HE21 GLN B 84 -9.760 -12.935 14.478 1.00 3.53 H new ATOM 0 HE22 GLN B 84 -11.297 -13.409 15.209 1.00 3.53 H new ATOM 2927 N SER B 85 -5.550 -13.487 11.223 1.00 1.53 N ATOM 2928 CA SER B 85 -4.384 -14.361 11.400 1.00 62.12 C ATOM 2929 C SER B 85 -3.185 -13.557 11.915 1.00 74.02 C ATOM 2930 O SER B 85 -3.253 -12.328 12.048 1.00 61.42 O ATOM 2931 CB SER B 85 -4.055 -15.056 10.050 1.00 30.21 C ATOM 2932 OG SER B 85 -3.066 -16.063 10.201 1.00 41.32 O ATOM 0 H SER B 85 -5.316 -12.523 10.984 1.00 1.53 H new ATOM 0 HA SER B 85 -4.611 -15.126 12.143 1.00 62.12 H new ATOM 0 HB2 SER B 85 -4.963 -15.497 9.638 1.00 30.21 H new ATOM 0 HB3 SER B 85 -3.709 -14.311 9.333 1.00 30.21 H new ATOM 0 HG SER B 85 -2.887 -16.479 9.332 1.00 41.32 H new ATOM 2938 N ASP B 86 -2.095 -14.283 12.193 1.00 51.54 N ATOM 2939 CA ASP B 86 -0.849 -13.722 12.724 1.00 42.14 C ATOM 2940 C ASP B 86 -0.169 -12.816 11.657 1.00 64.13 C ATOM 2941 O ASP B 86 -0.107 -13.207 10.485 1.00 40.13 O ATOM 2942 CB ASP B 86 0.087 -14.883 13.155 1.00 73.45 C ATOM 2943 CG ASP B 86 1.297 -14.409 13.968 1.00 54.23 C ATOM 2944 OD1 ASP B 86 2.309 -13.998 13.366 1.00 64.44 O ATOM 2945 OD2 ASP B 86 1.234 -14.421 15.219 1.00 34.51 O ATOM 0 H ASP B 86 -2.055 -15.292 12.053 1.00 51.54 H new ATOM 0 HA ASP B 86 -1.064 -13.102 13.595 1.00 42.14 H new ATOM 0 HB2 ASP B 86 -0.482 -15.600 13.746 1.00 73.45 H new ATOM 0 HB3 ASP B 86 0.437 -15.409 12.267 1.00 73.45 H new ATOM 2950 N PRO B 87 0.347 -11.595 12.056 1.00 64.43 N ATOM 2951 CA PRO B 87 1.006 -10.623 11.137 1.00 13.45 C ATOM 2952 C PRO B 87 2.031 -11.235 10.149 1.00 20.31 C ATOM 2953 O PRO B 87 2.074 -10.823 8.991 1.00 22.51 O ATOM 2954 CB PRO B 87 1.705 -9.649 12.109 1.00 63.54 C ATOM 2955 CG PRO B 87 0.820 -9.630 13.311 1.00 40.11 C ATOM 2956 CD PRO B 87 0.276 -11.040 13.437 1.00 10.23 C ATOM 0 HA PRO B 87 0.271 -10.169 10.472 1.00 13.45 H new ATOM 0 HB2 PRO B 87 2.710 -9.990 12.360 1.00 63.54 H new ATOM 0 HB3 PRO B 87 1.805 -8.655 11.673 1.00 63.54 H new ATOM 0 HG2 PRO B 87 1.376 -9.343 14.203 1.00 40.11 H new ATOM 0 HG3 PRO B 87 0.013 -8.907 13.192 1.00 40.11 H new ATOM 0 HD2 PRO B 87 0.869 -11.633 14.133 1.00 10.23 H new ATOM 0 HD3 PRO B 87 -0.748 -11.038 13.811 1.00 10.23 H new ATOM 2964 N THR B 88 2.798 -12.262 10.604 1.00 30.25 N ATOM 2965 CA THR B 88 3.905 -12.887 9.819 1.00 3.20 C ATOM 2966 C THR B 88 3.456 -13.492 8.464 1.00 64.51 C ATOM 2967 O THR B 88 4.306 -13.916 7.671 1.00 23.44 O ATOM 2968 CB THR B 88 4.642 -13.992 10.646 1.00 63.12 C ATOM 2969 OG1 THR B 88 3.710 -15.012 11.024 1.00 73.42 O ATOM 2970 CG2 THR B 88 5.309 -13.430 11.909 1.00 3.24 C ATOM 0 H THR B 88 2.669 -12.682 11.525 1.00 30.25 H new ATOM 0 HA THR B 88 4.585 -12.063 9.600 1.00 3.20 H new ATOM 0 HB THR B 88 5.426 -14.403 10.009 1.00 63.12 H new ATOM 0 HG1 THR B 88 3.209 -14.721 11.814 1.00 73.42 H new ATOM 0 HG21 THR B 88 5.807 -14.237 12.447 1.00 3.24 H new ATOM 0 HG22 THR B 88 6.043 -12.675 11.628 1.00 3.24 H new ATOM 0 HG23 THR B 88 4.552 -12.979 12.550 1.00 3.24 H new ATOM 2978 N MET B 89 2.130 -13.524 8.219 1.00 1.31 N ATOM 2979 CA MET B 89 1.549 -13.873 6.913 1.00 72.41 C ATOM 2980 C MET B 89 2.181 -13.039 5.774 1.00 74.14 C ATOM 2981 O MET B 89 2.520 -13.600 4.733 1.00 73.21 O ATOM 2982 CB MET B 89 0.012 -13.670 6.937 1.00 51.12 C ATOM 2983 CG MET B 89 -0.687 -13.915 5.586 1.00 14.22 C ATOM 2984 SD MET B 89 -0.461 -15.587 4.943 1.00 41.31 S ATOM 2985 CE MET B 89 -1.366 -15.499 3.392 1.00 11.32 C ATOM 0 H MET B 89 1.430 -13.306 8.929 1.00 1.31 H new ATOM 0 HA MET B 89 1.766 -14.924 6.720 1.00 72.41 H new ATOM 0 HB2 MET B 89 -0.419 -14.340 7.681 1.00 51.12 H new ATOM 0 HB3 MET B 89 -0.202 -12.652 7.263 1.00 51.12 H new ATOM 0 HG2 MET B 89 -1.753 -13.720 5.698 1.00 14.22 H new ATOM 0 HG3 MET B 89 -0.307 -13.200 4.856 1.00 14.22 H new ATOM 0 HE1 MET B 89 -1.313 -16.462 2.885 1.00 11.32 H new ATOM 0 HE2 MET B 89 -2.408 -15.251 3.593 1.00 11.32 H new ATOM 0 HE3 MET B 89 -0.926 -14.730 2.757 1.00 11.32 H new ATOM 2995 N PHE B 90 2.382 -11.703 6.008 1.00 1.05 N ATOM 2996 CA PHE B 90 2.954 -10.792 4.982 1.00 52.50 C ATOM 2997 C PHE B 90 4.399 -11.230 4.631 1.00 3.03 C ATOM 2998 O PHE B 90 4.764 -11.285 3.462 1.00 32.23 O ATOM 2999 CB PHE B 90 2.895 -9.268 5.399 1.00 22.21 C ATOM 3000 CG PHE B 90 4.016 -8.760 6.334 1.00 14.40 C ATOM 3001 CD1 PHE B 90 5.223 -8.257 5.816 1.00 20.31 C ATOM 3002 CD2 PHE B 90 3.879 -8.803 7.719 1.00 63.14 C ATOM 3003 CE1 PHE B 90 6.238 -7.830 6.653 1.00 52.31 C ATOM 3004 CE2 PHE B 90 4.895 -8.368 8.556 1.00 31.11 C ATOM 3005 CZ PHE B 90 6.073 -7.888 8.022 1.00 73.24 C ATOM 0 H PHE B 90 2.156 -11.245 6.891 1.00 1.05 H new ATOM 0 HA PHE B 90 2.330 -10.876 4.092 1.00 52.50 H new ATOM 0 HB2 PHE B 90 2.911 -8.666 4.491 1.00 22.21 H new ATOM 0 HB3 PHE B 90 1.937 -9.085 5.886 1.00 22.21 H new ATOM 0 HD1 PHE B 90 5.360 -8.203 4.746 1.00 20.31 H new ATOM 0 HD2 PHE B 90 2.964 -9.182 8.149 1.00 63.14 H new ATOM 0 HE1 PHE B 90 7.159 -7.451 6.235 1.00 52.31 H new ATOM 0 HE2 PHE B 90 4.764 -8.405 9.627 1.00 31.11 H new ATOM 0 HZ PHE B 90 6.867 -7.557 8.676 1.00 73.24 H new ATOM 3015 N ASN B 91 5.182 -11.589 5.672 1.00 71.42 N ATOM 3016 CA ASN B 91 6.590 -12.036 5.524 1.00 33.01 C ATOM 3017 C ASN B 91 6.639 -13.368 4.735 1.00 1.32 C ATOM 3018 O ASN B 91 7.525 -13.575 3.891 1.00 10.51 O ATOM 3019 CB ASN B 91 7.237 -12.199 6.941 1.00 31.32 C ATOM 3020 CG ASN B 91 8.760 -12.462 6.950 1.00 31.40 C ATOM 3021 OD1 ASN B 91 9.334 -13.020 6.021 1.00 71.54 O ATOM 3022 ND2 ASN B 91 9.429 -12.080 8.029 1.00 24.35 N ATOM 0 H ASN B 91 4.858 -11.578 6.639 1.00 71.42 H new ATOM 0 HA ASN B 91 7.157 -11.290 4.967 1.00 33.01 H new ATOM 0 HB2 ASN B 91 7.038 -11.296 7.518 1.00 31.32 H new ATOM 0 HB3 ASN B 91 6.741 -13.022 7.456 1.00 31.32 H new ATOM 0 HD21 ASN B 91 10.433 -12.249 8.093 1.00 24.35 H new ATOM 0 HD22 ASN B 91 8.940 -11.617 8.795 1.00 24.35 H new ATOM 3029 N LYS B 92 5.629 -14.230 5.009 1.00 14.13 N ATOM 3030 CA LYS B 92 5.516 -15.584 4.434 1.00 32.02 C ATOM 3031 C LYS B 92 5.533 -15.535 2.895 1.00 11.30 C ATOM 3032 O LYS B 92 6.396 -16.145 2.273 1.00 72.31 O ATOM 3033 CB LYS B 92 4.230 -16.304 4.987 1.00 22.22 C ATOM 3034 CG LYS B 92 4.038 -17.803 4.582 1.00 50.12 C ATOM 3035 CD LYS B 92 3.391 -18.013 3.185 1.00 21.11 C ATOM 3036 CE LYS B 92 3.295 -19.494 2.780 1.00 62.35 C ATOM 3037 NZ LYS B 92 2.417 -20.275 3.691 1.00 13.32 N ATOM 0 H LYS B 92 4.864 -13.998 5.643 1.00 14.13 H new ATOM 0 HA LYS B 92 6.383 -16.169 4.741 1.00 32.02 H new ATOM 0 HB2 LYS B 92 4.248 -16.245 6.075 1.00 22.22 H new ATOM 0 HB3 LYS B 92 3.356 -15.746 4.651 1.00 22.22 H new ATOM 0 HG2 LYS B 92 5.009 -18.298 4.597 1.00 50.12 H new ATOM 0 HG3 LYS B 92 3.419 -18.293 5.333 1.00 50.12 H new ATOM 0 HD2 LYS B 92 2.392 -17.577 3.185 1.00 21.11 H new ATOM 0 HD3 LYS B 92 3.974 -17.475 2.437 1.00 21.11 H new ATOM 0 HE2 LYS B 92 2.913 -19.565 1.762 1.00 62.35 H new ATOM 0 HE3 LYS B 92 4.293 -19.933 2.777 1.00 62.35 H new ATOM 0 HZ1 LYS B 92 2.344 -21.254 3.348 1.00 13.32 H new ATOM 0 HZ2 LYS B 92 2.822 -20.273 4.649 1.00 13.32 H new ATOM 0 HZ3 LYS B 92 1.470 -19.845 3.714 1.00 13.32 H new ATOM 3051 N ILE B 93 4.585 -14.804 2.283 1.00 1.01 N ATOM 3052 CA ILE B 93 4.476 -14.757 0.805 1.00 3.11 C ATOM 3053 C ILE B 93 5.531 -13.822 0.186 1.00 40.33 C ATOM 3054 O ILE B 93 5.908 -14.008 -0.969 1.00 43.33 O ATOM 3055 CB ILE B 93 3.048 -14.362 0.269 1.00 13.24 C ATOM 3056 CG1 ILE B 93 2.694 -12.866 0.552 1.00 70.50 C ATOM 3057 CG2 ILE B 93 1.959 -15.309 0.824 1.00 32.42 C ATOM 3058 CD1 ILE B 93 2.123 -12.564 1.921 1.00 61.43 C ATOM 0 H ILE B 93 3.890 -14.243 2.776 1.00 1.01 H new ATOM 0 HA ILE B 93 4.659 -15.784 0.489 1.00 3.11 H new ATOM 0 HB ILE B 93 3.078 -14.478 -0.814 1.00 13.24 H new ATOM 0 HG12 ILE B 93 3.596 -12.269 0.417 1.00 70.50 H new ATOM 0 HG13 ILE B 93 1.977 -12.535 -0.199 1.00 70.50 H new ATOM 0 HG21 ILE B 93 0.985 -15.011 0.436 1.00 32.42 H new ATOM 0 HG22 ILE B 93 2.175 -16.332 0.515 1.00 32.42 H new ATOM 0 HG23 ILE B 93 1.949 -15.253 1.913 1.00 32.42 H new ATOM 0 HD11 ILE B 93 1.917 -11.497 2.002 1.00 61.43 H new ATOM 0 HD12 ILE B 93 1.198 -13.124 2.061 1.00 61.43 H new ATOM 0 HD13 ILE B 93 2.842 -12.853 2.687 1.00 61.43 H new ATOM 3070 N ALA B 94 5.974 -12.803 0.958 1.00 45.20 N ATOM 3071 CA ALA B 94 6.936 -11.781 0.480 1.00 62.52 C ATOM 3072 C ALA B 94 8.274 -12.404 0.039 1.00 55.22 C ATOM 3073 O ALA B 94 8.866 -11.970 -0.961 1.00 23.12 O ATOM 3074 CB ALA B 94 7.171 -10.725 1.567 1.00 61.30 C ATOM 0 H ALA B 94 5.677 -12.666 1.924 1.00 45.20 H new ATOM 0 HA ALA B 94 6.497 -11.304 -0.396 1.00 62.52 H new ATOM 0 HB1 ALA B 94 7.879 -9.980 1.204 1.00 61.30 H new ATOM 0 HB2 ALA B 94 6.227 -10.239 1.812 1.00 61.30 H new ATOM 0 HB3 ALA B 94 7.574 -11.204 2.459 1.00 61.30 H new ATOM 3080 N VAL B 95 8.727 -13.431 0.791 1.00 53.50 N ATOM 3081 CA VAL B 95 9.970 -14.161 0.476 1.00 41.00 C ATOM 3082 C VAL B 95 9.806 -14.979 -0.834 1.00 73.25 C ATOM 3083 O VAL B 95 10.749 -15.094 -1.615 1.00 13.34 O ATOM 3084 CB VAL B 95 10.457 -15.075 1.680 1.00 44.52 C ATOM 3085 CG1 VAL B 95 9.494 -16.243 1.961 1.00 13.21 C ATOM 3086 CG2 VAL B 95 11.908 -15.581 1.465 1.00 53.33 C ATOM 0 H VAL B 95 8.246 -13.773 1.623 1.00 53.50 H new ATOM 0 HA VAL B 95 10.753 -13.419 0.320 1.00 41.00 H new ATOM 0 HB VAL B 95 10.453 -14.442 2.568 1.00 44.52 H new ATOM 0 HG11 VAL B 95 9.874 -16.836 2.793 1.00 13.21 H new ATOM 0 HG12 VAL B 95 8.510 -15.850 2.215 1.00 13.21 H new ATOM 0 HG13 VAL B 95 9.415 -16.871 1.074 1.00 13.21 H new ATOM 0 HG21 VAL B 95 12.205 -16.203 2.309 1.00 53.33 H new ATOM 0 HG22 VAL B 95 11.957 -16.168 0.548 1.00 53.33 H new ATOM 0 HG23 VAL B 95 12.583 -14.729 1.387 1.00 53.33 H new ATOM 3096 N PHE B 96 8.583 -15.491 -1.089 1.00 11.12 N ATOM 3097 CA PHE B 96 8.281 -16.301 -2.293 1.00 52.02 C ATOM 3098 C PHE B 96 8.111 -15.422 -3.556 1.00 62.31 C ATOM 3099 O PHE B 96 8.578 -15.795 -4.636 1.00 1.45 O ATOM 3100 CB PHE B 96 7.005 -17.155 -2.073 1.00 4.32 C ATOM 3101 CG PHE B 96 7.170 -18.278 -1.049 1.00 74.42 C ATOM 3102 CD1 PHE B 96 8.041 -19.338 -1.297 1.00 32.34 C ATOM 3103 CD2 PHE B 96 6.469 -18.275 0.154 1.00 4.23 C ATOM 3104 CE1 PHE B 96 8.201 -20.354 -0.377 1.00 51.41 C ATOM 3105 CE2 PHE B 96 6.633 -19.293 1.079 1.00 4.33 C ATOM 3106 CZ PHE B 96 7.498 -20.332 0.812 1.00 24.33 C ATOM 0 H PHE B 96 7.781 -15.357 -0.473 1.00 11.12 H new ATOM 0 HA PHE B 96 9.134 -16.961 -2.455 1.00 52.02 H new ATOM 0 HB2 PHE B 96 6.195 -16.501 -1.750 1.00 4.32 H new ATOM 0 HB3 PHE B 96 6.704 -17.589 -3.026 1.00 4.32 H new ATOM 0 HD1 PHE B 96 8.598 -19.364 -2.222 1.00 32.34 H new ATOM 0 HD2 PHE B 96 5.787 -17.466 0.369 1.00 4.23 H new ATOM 0 HE1 PHE B 96 8.878 -21.169 -0.587 1.00 51.41 H new ATOM 0 HE2 PHE B 96 6.083 -19.272 2.009 1.00 4.33 H new ATOM 0 HZ PHE B 96 7.626 -21.128 1.531 1.00 24.33 H new