USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1249 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 133 SER OG : rot 180:sc= -0.206 USER MOD Set 1.2: A 136 LYS NZ :NH3+ 136:sc= 0.0347 (180deg=0) USER MOD Set 2.1: A 88 GLN : amide:sc= 0.81 K(o=1.7,f=-1.3) USER MOD Set 2.2: A 113 THR OG1 : rot -130:sc= 0.917 USER MOD Set 3.1: A 68 SER OG : rot 18:sc= 0.341 USER MOD Set 3.2: A 71 CYS SG : rot -45:sc= 0.791 USER MOD Set 4.1: A 58 ASN : amide:sc= -0.344 K(o=-0.17,f=-1) USER MOD Set 4.2: A 61 SER OG : rot 111:sc= 0.17 USER MOD Set 5.1: A 38 THR OG1 : rot 145:sc= 0.632 USER MOD Set 5.2: A 120 GLN : amide:sc= 0.607 K(o=1.2,f=-0.65) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 130:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.234 K(o=0.23,f=-4.4!) USER MOD Single : A 15 SER OG : rot 90:sc= -1.19! USER MOD Single : A 16 ASN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 18 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 1 (180deg=0.337) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.0031 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.0051) USER MOD Single : A 33 MET CE :methyl 173:sc= -6.28! (180deg=-6.66!) USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 1.08 (180deg=1.08) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.035 (180deg=-0.237) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 60 GLN : amide:sc= -0.17 K(o=-0.17,f=-4.2!) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0157) USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0118) USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0678 K(o=-0.068,f=-0.89) USER MOD Single : A 75 LYS NZ :NH3+ -152:sc= 1.83 (180deg=1.58) USER MOD Single : A 78 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.477) USER MOD Single : A 81 LYS NZ :NH3+ -139:sc= 1.23 (180deg=0.224) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0643 USER MOD Single : A 89 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.25) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 66:sc= -1.38 USER MOD Single : A 104 LYS NZ :NH3+ -135:sc= 1.12 (180deg=-0.815) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= -0.0159 (180deg=-0.167) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN :FLIP amide:sc= -0.0229 F(o=-1.2,f=-0.023) USER MOD Single : A 125 MET CE :methyl -166:sc= -5.47! (180deg=-6.3!) USER MOD Single : A 126 SER OG : rot -85:sc= -0.73! USER MOD Single : A 130 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0915) USER MOD Single : A 132 SER OG : rot -84:sc= -1.69! USER MOD Single : A 134 SER OG : rot -157:sc= 1.24 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 152:sc= -3.69 (180deg=-9.58!) USER MOD Single : A 142 LYS NZ :NH3+ -154:sc= 1.29 (180deg=1.02) USER MOD Single : A 144 MET CE :methyl -178:sc= -0.381 (180deg=-0.393) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot 15:sc= -3.51! USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 5 -12.757 -7.384 -7.806 1.00 0.53 N ATOM 34 CA LYS A 5 -12.664 -7.830 -6.426 1.00 0.46 C ATOM 35 C LYS A 5 -11.288 -7.510 -5.867 1.00 0.34 C ATOM 36 O LYS A 5 -10.268 -7.880 -6.444 1.00 0.39 O ATOM 37 CB LYS A 5 -12.935 -9.327 -6.295 1.00 0.54 C ATOM 38 CG LYS A 5 -12.912 -9.808 -4.850 1.00 0.60 C ATOM 39 CD LYS A 5 -13.068 -11.314 -4.742 1.00 0.89 C ATOM 40 CE LYS A 5 -14.462 -11.773 -5.137 1.00 1.36 C ATOM 41 NZ LYS A 5 -14.616 -13.244 -5.000 1.00 1.61 N ATOM 0 HA LYS A 5 -13.427 -7.299 -5.857 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -13.907 -9.555 -6.733 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.189 -9.878 -6.868 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -11.973 -9.508 -4.384 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.713 -9.321 -4.294 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -12.332 -11.801 -5.381 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -12.860 -11.627 -3.719 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -15.201 -11.270 -4.513 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -14.663 -11.481 -6.168 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -15.579 -13.520 -5.278 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -13.928 -13.724 -5.614 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -14.449 -13.520 -4.011 1.00 1.61 H new ATOM 55 N GLY A 6 -11.267 -6.814 -4.751 1.00 0.26 N ATOM 56 CA GLY A 6 -10.010 -6.431 -4.146 1.00 0.20 C ATOM 57 C GLY A 6 -10.139 -5.133 -3.386 1.00 0.17 C ATOM 58 O GLY A 6 -11.255 -4.680 -3.127 1.00 0.24 O ATOM 0 H GLY A 6 -12.098 -6.504 -4.248 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.674 -7.218 -3.471 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.249 -6.328 -4.919 1.00 0.20 H new ATOM 62 N ALA A 7 -9.015 -4.517 -3.060 1.00 0.15 N ATOM 63 CA ALA A 7 -9.020 -3.263 -2.318 1.00 0.14 C ATOM 64 C ALA A 7 -8.440 -2.132 -3.155 1.00 0.14 C ATOM 65 O ALA A 7 -7.560 -2.354 -3.976 1.00 0.18 O ATOM 66 CB ALA A 7 -8.243 -3.410 -1.021 1.00 0.16 C ATOM 0 H ALA A 7 -8.085 -4.864 -3.297 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.055 -3.016 -2.081 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.257 -2.464 -0.479 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.702 -4.186 -0.408 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.212 -3.686 -1.244 1.00 0.16 H new ATOM 72 N TYR A 8 -8.945 -0.929 -2.949 1.00 0.12 N ATOM 73 CA TYR A 8 -8.456 0.246 -3.661 1.00 0.13 C ATOM 74 C TYR A 8 -8.024 1.322 -2.676 1.00 0.12 C ATOM 75 O TYR A 8 -8.723 1.591 -1.701 1.00 0.13 O ATOM 76 CB TYR A 8 -9.535 0.800 -4.600 1.00 0.16 C ATOM 77 CG TYR A 8 -9.473 0.255 -6.015 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.315 0.352 -6.777 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.578 -0.336 -6.596 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.271 -0.130 -8.074 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.543 -0.823 -7.887 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.388 -0.717 -8.621 1.00 0.45 C ATOM 83 OH TYR A 8 -9.353 -1.195 -9.911 1.00 0.57 O ATOM 0 H TYR A 8 -9.699 -0.736 -2.290 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.595 -0.054 -4.258 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.515 0.576 -4.180 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.445 1.886 -4.637 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.435 0.811 -6.351 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.492 -0.419 -6.026 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.364 -0.045 -8.654 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.419 -1.285 -8.317 1.00 0.48 H new ATOM 0 HH TYR A 8 -9.695 -2.113 -9.929 1.00 0.57 H new ATOM 93 N LEU A 9 -6.864 1.912 -2.930 1.00 0.12 N ATOM 94 CA LEU A 9 -6.366 3.016 -2.124 1.00 0.12 C ATOM 95 C LEU A 9 -6.900 4.309 -2.700 1.00 0.11 C ATOM 96 O LEU A 9 -6.567 4.682 -3.821 1.00 0.13 O ATOM 97 CB LEU A 9 -4.833 3.029 -2.113 1.00 0.12 C ATOM 98 CG LEU A 9 -4.148 3.978 -1.109 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.331 5.440 -1.482 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.637 3.723 0.306 1.00 0.12 C ATOM 0 H LEU A 9 -6.246 1.641 -3.695 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.704 2.900 -1.094 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.487 2.015 -1.911 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.489 3.290 -3.114 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.080 3.763 -1.151 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.831 6.069 -0.745 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -3.899 5.621 -2.466 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.394 5.680 -1.502 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.137 4.406 0.992 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.714 3.884 0.353 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.411 2.695 0.589 1.00 0.12 H new ATOM 112 N VAL A 10 -7.709 4.990 -1.930 1.00 0.12 N ATOM 113 CA VAL A 10 -8.376 6.181 -2.403 1.00 0.14 C ATOM 114 C VAL A 10 -8.000 7.378 -1.548 1.00 0.16 C ATOM 115 O VAL A 10 -7.774 7.246 -0.349 1.00 0.14 O ATOM 116 CB VAL A 10 -9.912 6.019 -2.390 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.502 6.520 -3.702 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.327 4.574 -2.123 1.00 0.16 C ATOM 0 H VAL A 10 -7.925 4.740 -0.965 1.00 0.12 H new ATOM 0 HA VAL A 10 -8.050 6.342 -3.431 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.307 6.622 -1.572 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.585 6.401 -3.683 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.255 7.573 -3.833 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.089 5.944 -4.530 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.415 4.502 -2.122 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -9.922 3.929 -2.903 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.941 4.258 -1.154 1.00 0.16 H new ATOM 128 N PHE A 11 -7.913 8.536 -2.175 1.00 0.23 N ATOM 129 CA PHE A 11 -7.660 9.773 -1.459 1.00 0.27 C ATOM 130 C PHE A 11 -8.973 10.496 -1.208 1.00 0.33 C ATOM 131 O PHE A 11 -9.814 10.603 -2.103 1.00 0.42 O ATOM 132 CB PHE A 11 -6.705 10.661 -2.261 1.00 0.35 C ATOM 133 CG PHE A 11 -6.516 12.043 -1.692 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.618 12.276 -0.661 1.00 0.66 C ATOM 135 CD2 PHE A 11 -7.225 13.117 -2.209 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.435 13.548 -0.160 1.00 0.85 C ATOM 137 CE2 PHE A 11 -7.048 14.391 -1.707 1.00 0.90 C ATOM 138 CZ PHE A 11 -6.151 14.607 -0.682 1.00 0.90 C ATOM 0 H PHE A 11 -8.014 8.646 -3.184 1.00 0.23 H new ATOM 0 HA PHE A 11 -7.194 9.544 -0.501 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.734 10.169 -2.320 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -7.080 10.749 -3.281 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -5.056 11.452 -0.246 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -7.925 12.955 -3.015 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.731 13.716 0.642 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -7.611 15.217 -2.116 1.00 0.90 H new ATOM 0 HZ PHE A 11 -6.009 15.603 -0.288 1.00 0.90 H new ATOM 148 N ASP A 12 -9.154 10.973 0.006 1.00 0.32 N ATOM 149 CA ASP A 12 -10.352 11.713 0.361 1.00 0.39 C ATOM 150 C ASP A 12 -9.964 13.100 0.854 1.00 0.41 C ATOM 151 O ASP A 12 -8.856 13.299 1.354 1.00 0.36 O ATOM 152 CB ASP A 12 -11.143 10.962 1.437 1.00 0.42 C ATOM 153 CG ASP A 12 -12.505 11.573 1.692 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.482 11.152 1.043 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.604 12.471 2.547 1.00 0.61 O ATOM 0 H ASP A 12 -8.485 10.862 0.768 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.987 11.813 -0.519 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.266 9.923 1.133 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.572 10.957 2.365 1.00 0.42 H new ATOM 160 N ASN A 13 -10.871 14.057 0.706 1.00 0.52 N ATOM 161 CA ASN A 13 -10.581 15.447 1.038 1.00 0.56 C ATOM 162 C ASN A 13 -10.846 15.742 2.511 1.00 0.57 C ATOM 163 O ASN A 13 -10.723 16.888 2.947 1.00 0.65 O ATOM 164 CB ASN A 13 -11.392 16.408 0.158 1.00 0.71 C ATOM 165 CG ASN A 13 -12.893 16.288 0.355 1.00 1.50 C ATOM 166 OD1 ASN A 13 -13.424 15.201 0.586 1.00 2.37 O ATOM 167 ND2 ASN A 13 -13.586 17.410 0.269 1.00 2.16 N ATOM 0 H ASN A 13 -11.816 13.896 0.357 1.00 0.52 H new ATOM 0 HA ASN A 13 -9.520 15.604 0.844 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -11.086 17.432 0.374 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -11.154 16.218 -0.889 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -14.598 17.395 0.396 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -13.109 18.291 0.076 1.00 2.16 H new ATOM 174 N ALA A 14 -11.227 14.721 3.272 1.00 0.55 N ATOM 175 CA ALA A 14 -11.354 14.859 4.717 1.00 0.59 C ATOM 176 C ALA A 14 -10.008 15.226 5.315 1.00 0.66 C ATOM 177 O ALA A 14 -8.987 14.629 4.962 1.00 1.31 O ATOM 178 CB ALA A 14 -11.871 13.572 5.340 1.00 0.60 C ATOM 0 H ALA A 14 -11.452 13.793 2.913 1.00 0.55 H new ATOM 0 HA ALA A 14 -12.072 15.651 4.930 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -11.958 13.699 6.419 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.849 13.333 4.923 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -11.177 12.759 5.125 1.00 0.60 H new ATOM 184 N SER A 15 -10.001 16.234 6.186 1.00 0.60 N ATOM 185 CA SER A 15 -8.769 16.720 6.800 1.00 0.54 C ATOM 186 C SER A 15 -7.789 17.192 5.725 1.00 0.52 C ATOM 187 O SER A 15 -6.576 17.227 5.943 1.00 0.53 O ATOM 188 CB SER A 15 -8.137 15.621 7.659 1.00 0.53 C ATOM 189 OG SER A 15 -9.024 15.196 8.682 1.00 1.23 O ATOM 0 H SER A 15 -10.840 16.732 6.483 1.00 0.60 H new ATOM 0 HA SER A 15 -9.008 17.567 7.443 1.00 0.54 H new ATOM 0 HB2 SER A 15 -7.870 14.772 7.030 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.213 15.990 8.105 1.00 0.53 H new ATOM 0 HG SER A 15 -9.576 14.457 8.350 1.00 1.23 H new ATOM 195 N ASN A 16 -8.344 17.537 4.560 1.00 0.53 N ATOM 196 CA ASN A 16 -7.565 17.972 3.402 1.00 0.57 C ATOM 197 C ASN A 16 -6.561 16.902 2.981 1.00 0.52 C ATOM 198 O ASN A 16 -5.498 17.206 2.441 1.00 0.68 O ATOM 199 CB ASN A 16 -6.849 19.297 3.685 1.00 0.66 C ATOM 200 CG ASN A 16 -7.808 20.467 3.848 1.00 0.76 C ATOM 201 OD1 ASN A 16 -8.946 20.307 4.297 1.00 1.08 O ATOM 202 ND2 ASN A 16 -7.357 21.657 3.488 1.00 1.30 N ATOM 0 H ASN A 16 -9.350 17.522 4.395 1.00 0.53 H new ATOM 0 HA ASN A 16 -8.261 18.129 2.578 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -6.252 19.195 4.591 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -6.158 19.512 2.870 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -7.956 22.478 3.578 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -6.410 21.754 3.120 1.00 1.30 H new ATOM 209 N GLY A 17 -6.899 15.646 3.239 1.00 0.39 N ATOM 210 CA GLY A 17 -6.038 14.556 2.841 1.00 0.34 C ATOM 211 C GLY A 17 -6.210 13.340 3.715 1.00 0.28 C ATOM 212 O GLY A 17 -5.713 13.304 4.833 1.00 0.29 O ATOM 0 H GLY A 17 -7.755 15.365 3.717 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -6.249 14.289 1.806 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.999 14.884 2.880 1.00 0.34 H new ATOM 216 N THR A 18 -6.929 12.357 3.212 1.00 0.27 N ATOM 217 CA THR A 18 -7.101 11.097 3.916 1.00 0.24 C ATOM 218 C THR A 18 -6.951 9.932 2.945 1.00 0.18 C ATOM 219 O THR A 18 -7.238 10.069 1.755 1.00 0.19 O ATOM 220 CB THR A 18 -8.483 11.018 4.608 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.632 12.099 5.537 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.653 9.697 5.345 1.00 0.33 C ATOM 0 H THR A 18 -7.408 12.405 2.312 1.00 0.27 H new ATOM 0 HA THR A 18 -6.330 11.038 4.685 1.00 0.24 H new ATOM 0 HB THR A 18 -9.248 11.089 3.834 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.983 12.886 5.070 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.633 9.670 5.821 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.571 8.872 4.637 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.877 9.602 6.105 1.00 0.33 H new ATOM 230 N LEU A 19 -6.487 8.800 3.450 1.00 0.15 N ATOM 231 CA LEU A 19 -6.400 7.594 2.652 1.00 0.13 C ATOM 232 C LEU A 19 -7.518 6.647 3.017 1.00 0.14 C ATOM 233 O LEU A 19 -7.926 6.557 4.176 1.00 0.21 O ATOM 234 CB LEU A 19 -5.068 6.881 2.839 1.00 0.14 C ATOM 235 CG LEU A 19 -3.852 7.622 2.308 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.676 6.668 2.235 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.157 8.235 0.947 1.00 0.58 C ATOM 0 H LEU A 19 -6.165 8.694 4.412 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.485 7.894 1.608 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.922 6.693 3.903 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.123 5.909 2.348 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.596 8.438 2.984 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.802 7.196 1.854 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.460 6.280 3.230 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.919 5.841 1.568 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.276 8.762 0.580 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.427 7.446 0.245 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.987 8.936 1.041 1.00 0.58 H new ATOM 249 N PHE A 20 -7.985 5.934 2.025 1.00 0.13 N ATOM 250 CA PHE A 20 -9.138 5.078 2.161 1.00 0.14 C ATOM 251 C PHE A 20 -8.879 3.759 1.448 1.00 0.13 C ATOM 252 O PHE A 20 -8.450 3.740 0.302 1.00 0.12 O ATOM 253 CB PHE A 20 -10.358 5.845 1.590 1.00 0.15 C ATOM 254 CG PHE A 20 -11.605 5.052 1.285 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.853 3.842 1.886 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.537 5.549 0.385 1.00 0.17 C ATOM 257 CE1 PHE A 20 -12.999 3.127 1.603 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.688 4.843 0.095 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.919 3.628 0.705 1.00 0.19 C ATOM 0 H PHE A 20 -7.573 5.930 1.092 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.342 4.830 3.203 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.624 6.628 2.300 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -10.043 6.341 0.672 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.139 3.444 2.592 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.360 6.500 -0.095 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.176 2.176 2.084 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.405 5.241 -0.607 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.817 3.071 0.481 1.00 0.19 H new ATOM 269 N ILE A 21 -9.096 2.661 2.157 1.00 0.15 N ATOM 270 CA ILE A 21 -8.986 1.339 1.568 1.00 0.16 C ATOM 271 C ILE A 21 -10.372 0.722 1.439 1.00 0.18 C ATOM 272 O ILE A 21 -11.030 0.396 2.429 1.00 0.23 O ATOM 273 CB ILE A 21 -8.049 0.413 2.382 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.043 -0.996 1.785 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.449 0.375 3.852 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.065 -1.935 2.453 1.00 0.28 C ATOM 0 H ILE A 21 -9.350 2.662 3.145 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.541 1.447 0.579 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.039 0.820 2.325 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.046 -1.417 1.860 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -7.803 -0.930 0.724 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.772 -0.284 4.396 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.392 1.380 4.271 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.469 0.001 3.942 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.117 -2.914 1.977 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.055 -1.538 2.356 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.317 -2.032 3.509 1.00 0.28 H new ATOM 288 N VAL A 22 -10.826 0.604 0.210 1.00 0.16 N ATOM 289 CA VAL A 22 -12.162 0.112 -0.054 1.00 0.18 C ATOM 290 C VAL A 22 -12.161 -1.405 -0.240 1.00 0.18 C ATOM 291 O VAL A 22 -11.424 -1.945 -1.068 1.00 0.22 O ATOM 292 CB VAL A 22 -12.770 0.800 -1.298 1.00 0.21 C ATOM 293 CG1 VAL A 22 -11.945 0.518 -2.525 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.224 0.387 -1.496 1.00 0.24 C ATOM 0 H VAL A 22 -10.289 0.842 -0.624 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.779 0.354 0.812 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.755 1.877 -1.131 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.393 1.013 -3.387 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -10.933 0.894 -2.377 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -11.911 -0.557 -2.701 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.627 0.885 -2.378 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.280 -0.693 -1.632 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.806 0.673 -0.620 1.00 0.24 H new ATOM 304 N TRP A 23 -12.965 -2.090 0.556 1.00 0.19 N ATOM 305 CA TRP A 23 -13.158 -3.518 0.384 1.00 0.21 C ATOM 306 C TRP A 23 -14.481 -3.772 -0.319 1.00 0.24 C ATOM 307 O TRP A 23 -15.554 -3.613 0.262 1.00 0.27 O ATOM 308 CB TRP A 23 -13.096 -4.257 1.723 1.00 0.23 C ATOM 309 CG TRP A 23 -11.692 -4.505 2.179 1.00 0.23 C ATOM 310 CD1 TRP A 23 -11.112 -4.078 3.339 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.681 -5.228 1.466 1.00 0.21 C ATOM 312 NE1 TRP A 23 -9.804 -4.499 3.393 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.516 -5.203 2.251 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.649 -5.899 0.237 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.334 -5.820 1.849 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.472 -6.506 -0.161 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.328 -6.461 0.644 1.00 0.27 C ATOM 0 H TRP A 23 -13.493 -1.680 1.326 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.348 -3.906 -0.233 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.622 -3.675 2.480 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.618 -5.209 1.633 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.607 -3.496 4.102 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -9.154 -4.317 4.158 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.528 -5.942 -0.389 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.451 -5.792 2.470 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.435 -7.023 -1.108 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.423 -6.943 0.305 1.00 0.27 H new ATOM 328 N LYS A 24 -14.390 -4.162 -1.577 1.00 0.25 N ATOM 329 CA LYS A 24 -15.552 -4.254 -2.441 1.00 0.28 C ATOM 330 C LYS A 24 -15.365 -5.355 -3.474 1.00 0.33 C ATOM 331 O LYS A 24 -14.295 -5.959 -3.586 1.00 0.39 O ATOM 332 CB LYS A 24 -15.785 -2.937 -3.178 1.00 0.29 C ATOM 333 CG LYS A 24 -14.804 -2.725 -4.298 1.00 0.35 C ATOM 334 CD LYS A 24 -13.456 -2.291 -3.771 1.00 0.61 C ATOM 335 CE LYS A 24 -12.411 -2.259 -4.862 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.230 -3.584 -5.509 1.00 1.36 N ATOM 0 H LYS A 24 -13.513 -4.423 -2.027 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.412 -4.479 -1.810 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.799 -2.923 -3.579 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.710 -2.110 -2.472 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -14.694 -3.648 -4.868 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.189 -1.970 -4.984 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.543 -1.302 -3.322 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.137 -2.973 -2.982 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -12.698 -1.526 -5.615 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.461 -1.929 -4.442 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.348 -3.584 -6.060 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -12.182 -4.323 -4.779 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -13.033 -3.774 -6.142 1.00 1.36 H new ATOM 350 N LYS A 25 -16.416 -5.575 -4.242 1.00 0.36 N ATOM 351 CA LYS A 25 -16.429 -6.573 -5.297 1.00 0.42 C ATOM 352 C LYS A 25 -16.653 -5.859 -6.623 1.00 0.45 C ATOM 353 O LYS A 25 -17.048 -6.456 -7.626 1.00 0.56 O ATOM 354 CB LYS A 25 -17.542 -7.605 -5.069 1.00 0.49 C ATOM 355 CG LYS A 25 -17.444 -8.381 -3.763 1.00 0.67 C ATOM 356 CD LYS A 25 -17.912 -7.559 -2.579 1.00 0.70 C ATOM 357 CE LYS A 25 -18.347 -8.447 -1.433 1.00 0.94 C ATOM 358 NZ LYS A 25 -18.992 -7.673 -0.339 1.00 1.94 N ATOM 0 H LYS A 25 -17.293 -5.062 -4.151 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.478 -7.106 -5.302 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.503 -7.092 -5.098 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.534 -8.314 -5.897 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -18.044 -9.288 -3.834 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -16.412 -8.693 -3.603 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -17.107 -6.902 -2.248 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -18.741 -6.920 -2.882 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -19.043 -9.200 -1.803 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -17.481 -8.979 -1.038 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -19.467 -8.327 0.315 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -18.269 -7.132 0.176 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -19.692 -7.018 -0.743 1.00 1.94 H new ATOM 372 N GLU A 26 -16.409 -4.559 -6.588 1.00 0.40 N ATOM 373 CA GLU A 26 -16.635 -3.677 -7.707 1.00 0.45 C ATOM 374 C GLU A 26 -15.361 -2.883 -8.000 1.00 0.41 C ATOM 375 O GLU A 26 -14.497 -2.743 -7.138 1.00 0.42 O ATOM 376 CB GLU A 26 -17.803 -2.751 -7.350 1.00 0.49 C ATOM 377 CG GLU A 26 -17.945 -1.553 -8.258 1.00 1.23 C ATOM 378 CD GLU A 26 -19.175 -0.727 -7.953 1.00 1.20 C ATOM 379 OE1 GLU A 26 -20.219 -0.952 -8.600 1.00 1.45 O ATOM 380 OE2 GLU A 26 -19.107 0.155 -7.071 1.00 1.19 O ATOM 0 H GLU A 26 -16.042 -4.085 -5.763 1.00 0.40 H new ATOM 0 HA GLU A 26 -16.885 -4.240 -8.606 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -18.729 -3.326 -7.378 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -17.675 -2.403 -6.325 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -17.059 -0.925 -8.164 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -17.988 -1.891 -9.293 1.00 1.23 H new ATOM 387 N LYS A 27 -15.227 -2.388 -9.214 1.00 0.48 N ATOM 388 CA LYS A 27 -14.051 -1.620 -9.585 1.00 0.49 C ATOM 389 C LYS A 27 -14.261 -0.143 -9.272 1.00 0.47 C ATOM 390 O LYS A 27 -14.841 0.590 -10.072 1.00 0.68 O ATOM 391 CB LYS A 27 -13.747 -1.797 -11.074 1.00 0.64 C ATOM 392 CG LYS A 27 -12.423 -1.187 -11.509 1.00 1.53 C ATOM 393 CD LYS A 27 -12.283 -1.184 -13.023 1.00 1.71 C ATOM 394 CE LYS A 27 -13.155 -0.112 -13.664 1.00 1.60 C ATOM 395 NZ LYS A 27 -13.221 -0.263 -15.142 1.00 2.35 N ATOM 0 H LYS A 27 -15.914 -2.502 -9.959 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.204 -1.987 -9.005 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -13.740 -2.861 -11.310 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -14.552 -1.347 -11.655 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -12.350 -0.166 -11.134 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -11.600 -1.748 -11.067 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -11.240 -1.015 -13.292 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -12.559 -2.162 -13.417 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -14.161 -0.166 -13.248 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -12.760 0.873 -13.417 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -13.824 0.485 -15.541 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -12.264 -0.187 -15.542 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -13.622 -1.193 -15.378 1.00 2.35 H new ATOM 409 N VAL A 28 -13.805 0.288 -8.101 1.00 0.43 N ATOM 410 CA VAL A 28 -13.882 1.697 -7.743 1.00 0.42 C ATOM 411 C VAL A 28 -12.777 2.455 -8.472 1.00 0.40 C ATOM 412 O VAL A 28 -11.683 1.926 -8.696 1.00 0.51 O ATOM 413 CB VAL A 28 -13.802 1.951 -6.213 1.00 0.52 C ATOM 414 CG1 VAL A 28 -14.206 0.719 -5.425 1.00 1.16 C ATOM 415 CG2 VAL A 28 -12.423 2.414 -5.811 1.00 1.07 C ATOM 0 H VAL A 28 -13.383 -0.311 -7.392 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.862 2.060 -8.052 1.00 0.42 H new ATOM 0 HB VAL A 28 -14.510 2.745 -5.976 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -14.139 0.931 -4.358 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -15.231 0.446 -5.677 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.539 -0.107 -5.673 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -12.396 2.584 -4.735 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -11.691 1.651 -6.076 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -12.185 3.342 -6.331 1.00 1.07 H new ATOM 425 N GLU A 29 -13.078 3.667 -8.882 1.00 0.37 N ATOM 426 CA GLU A 29 -12.139 4.460 -9.647 1.00 0.37 C ATOM 427 C GLU A 29 -11.551 5.579 -8.792 1.00 0.32 C ATOM 428 O GLU A 29 -11.956 5.766 -7.642 1.00 0.33 O ATOM 429 CB GLU A 29 -12.836 5.031 -10.879 1.00 0.45 C ATOM 430 CG GLU A 29 -13.404 3.964 -11.802 1.00 0.74 C ATOM 431 CD GLU A 29 -14.104 4.553 -13.007 1.00 1.33 C ATOM 432 OE1 GLU A 29 -13.439 4.780 -14.034 1.00 1.80 O ATOM 433 OE2 GLU A 29 -15.327 4.790 -12.929 1.00 1.98 O ATOM 0 H GLU A 29 -13.969 4.127 -8.698 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.317 3.821 -9.969 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.643 5.690 -10.558 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -12.127 5.643 -11.437 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -12.598 3.312 -12.137 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -14.106 3.343 -11.246 1.00 0.74 H new ATOM 440 N ASN A 30 -10.595 6.304 -9.367 1.00 0.33 N ATOM 441 CA ASN A 30 -9.913 7.411 -8.692 1.00 0.34 C ATOM 442 C ASN A 30 -9.096 6.891 -7.506 1.00 0.27 C ATOM 443 O ASN A 30 -9.044 7.503 -6.438 1.00 0.31 O ATOM 444 CB ASN A 30 -10.915 8.488 -8.241 1.00 0.40 C ATOM 445 CG ASN A 30 -10.270 9.854 -8.058 1.00 1.17 C ATOM 446 OD1 ASN A 30 -10.197 10.645 -8.998 1.00 1.67 O ATOM 447 ND2 ASN A 30 -9.803 10.143 -6.855 1.00 2.06 N ATOM 0 H ASN A 30 -10.268 6.141 -10.319 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.229 7.874 -9.403 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -11.715 8.565 -8.977 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -11.375 8.180 -7.302 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -9.364 11.047 -6.682 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -9.882 9.462 -6.100 1.00 2.06 H new ATOM 454 N ALA A 31 -8.472 5.740 -7.709 1.00 0.21 N ATOM 455 CA ALA A 31 -7.636 5.124 -6.694 1.00 0.18 C ATOM 456 C ALA A 31 -6.167 5.206 -7.087 1.00 0.17 C ATOM 457 O ALA A 31 -5.831 5.228 -8.270 1.00 0.20 O ATOM 458 CB ALA A 31 -8.043 3.676 -6.497 1.00 0.17 C ATOM 0 H ALA A 31 -8.532 5.210 -8.579 1.00 0.21 H new ATOM 0 HA ALA A 31 -7.773 5.664 -5.757 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.411 3.221 -5.734 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.085 3.631 -6.180 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -7.926 3.134 -7.436 1.00 0.17 H new ATOM 464 N LEU A 32 -5.297 5.265 -6.090 1.00 0.17 N ATOM 465 CA LEU A 32 -3.862 5.390 -6.324 1.00 0.18 C ATOM 466 C LEU A 32 -3.189 4.030 -6.231 1.00 0.17 C ATOM 467 O LEU A 32 -2.117 3.818 -6.782 1.00 0.19 O ATOM 468 CB LEU A 32 -3.220 6.354 -5.313 1.00 0.22 C ATOM 469 CG LEU A 32 -3.482 7.851 -5.517 1.00 0.29 C ATOM 470 CD1 LEU A 32 -4.721 8.092 -6.355 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.588 8.551 -4.175 1.00 0.28 C ATOM 0 H LEU A 32 -5.560 5.228 -5.105 1.00 0.17 H new ATOM 0 HA LEU A 32 -3.722 5.793 -7.327 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.568 6.082 -4.317 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.142 6.193 -5.329 1.00 0.22 H new ATOM 0 HG LEU A 32 -2.638 8.270 -6.064 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -4.874 9.164 -6.478 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -4.594 7.629 -7.334 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -5.587 7.656 -5.857 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -3.774 9.613 -4.332 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.410 8.120 -3.603 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.656 8.424 -3.624 1.00 0.28 H new ATOM 483 N MET A 33 -3.820 3.114 -5.512 1.00 0.15 N ATOM 484 CA MET A 33 -3.274 1.768 -5.343 1.00 0.14 C ATOM 485 C MET A 33 -4.382 0.723 -5.270 1.00 0.12 C ATOM 486 O MET A 33 -5.559 1.066 -5.157 1.00 0.12 O ATOM 487 CB MET A 33 -2.414 1.683 -4.088 1.00 0.14 C ATOM 488 CG MET A 33 -1.153 2.520 -4.137 1.00 0.17 C ATOM 489 SD MET A 33 -0.248 2.453 -2.590 1.00 0.17 S ATOM 490 CE MET A 33 -0.044 0.685 -2.424 1.00 0.20 C ATOM 0 H MET A 33 -4.708 3.273 -5.036 1.00 0.15 H new ATOM 0 HA MET A 33 -2.655 1.561 -6.216 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.011 1.996 -3.231 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.138 0.642 -3.921 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.514 2.168 -4.947 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.412 3.555 -4.362 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.608 0.472 -1.577 1.00 0.20 H new ATOM 0 HE2 MET A 33 -1.016 0.220 -2.260 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.401 0.283 -3.334 1.00 0.20 H new ATOM 500 N PHE A 34 -3.997 -0.552 -5.330 1.00 0.12 N ATOM 501 CA PHE A 34 -4.956 -1.649 -5.371 1.00 0.12 C ATOM 502 C PHE A 34 -4.378 -2.901 -4.704 1.00 0.11 C ATOM 503 O PHE A 34 -3.163 -3.068 -4.624 1.00 0.12 O ATOM 504 CB PHE A 34 -5.343 -1.940 -6.832 1.00 0.13 C ATOM 505 CG PHE A 34 -6.236 -3.139 -7.030 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.706 -4.347 -7.446 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.601 -3.055 -6.813 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.518 -5.446 -7.643 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.419 -4.151 -7.005 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.876 -5.349 -7.422 1.00 0.23 C ATOM 0 H PHE A 34 -3.021 -0.849 -5.351 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.849 -1.360 -4.817 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -5.843 -1.062 -7.241 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.431 -2.086 -7.411 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.643 -4.432 -7.619 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.032 -2.119 -6.489 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.090 -6.382 -7.970 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.482 -4.071 -6.829 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.512 -6.208 -7.575 1.00 0.23 H new ATOM 520 N ILE A 35 -5.262 -3.756 -4.210 1.00 0.11 N ATOM 521 CA ILE A 35 -4.884 -5.036 -3.618 1.00 0.12 C ATOM 522 C ILE A 35 -5.676 -6.143 -4.281 1.00 0.12 C ATOM 523 O ILE A 35 -6.906 -6.083 -4.330 1.00 0.16 O ATOM 524 CB ILE A 35 -5.171 -5.099 -2.101 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.386 -4.041 -1.344 1.00 0.13 C ATOM 526 CG2 ILE A 35 -4.838 -6.477 -1.551 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.731 -3.978 0.131 1.00 0.14 C ATOM 0 H ILE A 35 -6.267 -3.583 -4.207 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.811 -5.152 -3.771 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.234 -4.904 -1.960 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.320 -4.243 -1.452 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.574 -3.067 -1.796 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.047 -6.502 -0.481 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.446 -7.227 -2.057 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -3.783 -6.691 -1.720 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.135 -3.202 0.611 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.790 -3.746 0.247 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.517 -4.940 0.596 1.00 0.14 H new ATOM 539 N LYS A 36 -4.987 -7.145 -4.781 1.00 0.13 N ATOM 540 CA LYS A 36 -5.656 -8.273 -5.398 1.00 0.15 C ATOM 541 C LYS A 36 -5.446 -9.508 -4.531 1.00 0.16 C ATOM 542 O LYS A 36 -4.344 -10.039 -4.469 1.00 0.22 O ATOM 543 CB LYS A 36 -5.072 -8.503 -6.795 1.00 0.25 C ATOM 544 CG LYS A 36 -6.059 -9.071 -7.810 1.00 0.64 C ATOM 545 CD LYS A 36 -6.493 -10.490 -7.475 1.00 0.70 C ATOM 546 CE LYS A 36 -5.338 -11.476 -7.571 1.00 1.57 C ATOM 547 NZ LYS A 36 -5.789 -12.877 -7.347 1.00 2.38 N ATOM 0 H LYS A 36 -3.969 -7.204 -4.774 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.724 -8.074 -5.488 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -4.686 -7.556 -7.174 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.224 -9.183 -6.713 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -6.938 -8.428 -7.856 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -5.603 -9.059 -8.800 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -6.908 -10.514 -6.467 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -7.289 -10.796 -8.154 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -4.872 -11.396 -8.553 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -4.576 -11.217 -6.835 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -4.969 -13.516 -7.386 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -6.241 -12.951 -6.413 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -6.472 -13.144 -8.085 1.00 2.38 H new ATOM 561 N PRO A 37 -6.498 -9.998 -3.868 1.00 0.17 N ATOM 562 CA PRO A 37 -6.398 -11.176 -3.009 1.00 0.21 C ATOM 563 C PRO A 37 -6.252 -12.466 -3.807 1.00 0.27 C ATOM 564 O PRO A 37 -6.984 -12.710 -4.769 1.00 0.35 O ATOM 565 CB PRO A 37 -7.717 -11.180 -2.223 1.00 0.24 C ATOM 566 CG PRO A 37 -8.370 -9.870 -2.516 1.00 0.23 C ATOM 567 CD PRO A 37 -7.850 -9.429 -3.853 1.00 0.18 C ATOM 0 HA PRO A 37 -5.515 -11.130 -2.372 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.352 -12.011 -2.530 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.535 -11.296 -1.155 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.455 -9.972 -2.535 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.133 -9.136 -1.745 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.460 -9.810 -4.672 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.835 -8.343 -3.945 1.00 0.18 H new ATOM 575 N THR A 38 -5.265 -13.263 -3.431 1.00 0.31 N ATOM 576 CA THR A 38 -5.099 -14.594 -3.977 1.00 0.38 C ATOM 577 C THR A 38 -6.024 -15.557 -3.268 1.00 0.44 C ATOM 578 O THR A 38 -6.707 -16.370 -3.887 1.00 0.54 O ATOM 579 CB THR A 38 -3.652 -15.055 -3.794 1.00 0.48 C ATOM 580 OG1 THR A 38 -2.975 -14.159 -2.896 1.00 0.86 O ATOM 581 CG2 THR A 38 -2.943 -15.080 -5.124 1.00 0.78 C ATOM 0 H THR A 38 -4.560 -13.004 -2.741 1.00 0.31 H new ATOM 0 HA THR A 38 -5.341 -14.573 -5.040 1.00 0.38 H new ATOM 0 HB THR A 38 -3.647 -16.061 -3.376 1.00 0.48 H new ATOM 0 HG1 THR A 38 -2.333 -14.663 -2.353 1.00 0.86 H new ATOM 0 HG21 THR A 38 -1.914 -15.410 -4.982 1.00 0.78 H new ATOM 0 HG22 THR A 38 -3.455 -15.769 -5.796 1.00 0.78 H new ATOM 0 HG23 THR A 38 -2.947 -14.080 -5.557 1.00 0.78 H new ATOM 589 N LYS A 39 -6.033 -15.439 -1.959 1.00 0.48 N ATOM 590 CA LYS A 39 -6.926 -16.217 -1.124 1.00 0.63 C ATOM 591 C LYS A 39 -8.257 -15.495 -0.972 1.00 0.58 C ATOM 592 O LYS A 39 -8.355 -14.298 -1.252 1.00 0.54 O ATOM 593 CB LYS A 39 -6.296 -16.454 0.248 1.00 0.78 C ATOM 594 CG LYS A 39 -5.013 -17.274 0.206 1.00 0.93 C ATOM 595 CD LYS A 39 -5.248 -18.665 -0.367 1.00 1.09 C ATOM 596 CE LYS A 39 -6.194 -19.479 0.504 1.00 1.65 C ATOM 597 NZ LYS A 39 -6.552 -20.779 -0.121 1.00 2.16 N ATOM 0 H LYS A 39 -5.424 -14.804 -1.443 1.00 0.48 H new ATOM 0 HA LYS A 39 -7.100 -17.182 -1.599 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -6.084 -15.490 0.711 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -7.019 -16.962 0.886 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -4.269 -16.754 -0.397 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -4.604 -17.360 1.213 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -5.661 -18.580 -1.372 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -4.296 -19.187 -0.457 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -5.729 -19.659 1.473 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -7.101 -18.904 0.688 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -7.197 -21.300 0.507 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -7.020 -20.608 -1.034 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -5.690 -21.340 -0.273 1.00 2.16 H new ATOM 611 N GLU A 40 -9.275 -16.228 -0.542 1.00 0.66 N ATOM 612 CA GLU A 40 -10.604 -15.666 -0.331 1.00 0.64 C ATOM 613 C GLU A 40 -10.548 -14.502 0.650 1.00 0.57 C ATOM 614 O GLU A 40 -9.871 -14.566 1.682 1.00 0.62 O ATOM 615 CB GLU A 40 -11.549 -16.754 0.180 1.00 0.76 C ATOM 616 CG GLU A 40 -12.970 -16.281 0.432 1.00 1.44 C ATOM 617 CD GLU A 40 -13.856 -17.392 0.950 1.00 1.86 C ATOM 618 OE1 GLU A 40 -14.724 -17.872 0.195 1.00 2.08 O ATOM 619 OE2 GLU A 40 -13.671 -17.812 2.109 1.00 2.42 O ATOM 0 H GLU A 40 -9.205 -17.223 -0.330 1.00 0.66 H new ATOM 0 HA GLU A 40 -10.980 -15.287 -1.281 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -11.573 -17.568 -0.545 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -11.145 -17.164 1.106 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -12.957 -15.463 1.152 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -13.389 -15.885 -0.493 1.00 1.44 H new ATOM 626 N VAL A 41 -11.264 -13.442 0.320 1.00 0.53 N ATOM 627 CA VAL A 41 -11.241 -12.223 1.108 1.00 0.49 C ATOM 628 C VAL A 41 -12.171 -12.334 2.304 1.00 0.51 C ATOM 629 O VAL A 41 -13.289 -12.838 2.188 1.00 0.54 O ATOM 630 CB VAL A 41 -11.645 -10.990 0.271 1.00 0.53 C ATOM 631 CG1 VAL A 41 -10.505 -9.990 0.211 1.00 0.73 C ATOM 632 CG2 VAL A 41 -12.072 -11.400 -1.131 1.00 0.69 C ATOM 0 H VAL A 41 -11.874 -13.402 -0.496 1.00 0.53 H new ATOM 0 HA VAL A 41 -10.215 -12.091 1.451 1.00 0.49 H new ATOM 0 HB VAL A 41 -12.496 -10.514 0.758 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -10.808 -9.128 -0.383 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -10.253 -9.665 1.220 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.634 -10.458 -0.247 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -12.352 -10.513 -1.700 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.245 -11.906 -1.630 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -12.925 -12.075 -1.069 1.00 0.69 H new ATOM 642 N PRO A 42 -11.688 -11.885 3.474 1.00 0.55 N ATOM 643 CA PRO A 42 -12.460 -11.884 4.720 1.00 0.62 C ATOM 644 C PRO A 42 -13.845 -11.271 4.543 1.00 0.63 C ATOM 645 O PRO A 42 -13.975 -10.098 4.182 1.00 0.64 O ATOM 646 CB PRO A 42 -11.611 -11.014 5.641 1.00 0.68 C ATOM 647 CG PRO A 42 -10.222 -11.192 5.155 1.00 0.65 C ATOM 648 CD PRO A 42 -10.330 -11.349 3.670 1.00 0.58 C ATOM 0 HA PRO A 42 -12.641 -12.891 5.095 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -11.917 -9.969 5.591 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -11.709 -11.325 6.681 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.603 -10.333 5.414 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -9.758 -12.068 5.609 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -10.197 -10.397 3.156 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.571 -12.029 3.283 1.00 0.58 H new ATOM 656 N GLU A 43 -14.868 -12.058 4.832 1.00 0.69 N ATOM 657 CA GLU A 43 -16.236 -11.674 4.579 1.00 0.75 C ATOM 658 C GLU A 43 -16.733 -10.652 5.596 1.00 0.81 C ATOM 659 O GLU A 43 -17.507 -9.755 5.260 1.00 0.83 O ATOM 660 CB GLU A 43 -17.110 -12.913 4.611 1.00 0.85 C ATOM 661 CG GLU A 43 -18.452 -12.720 3.943 1.00 1.21 C ATOM 662 CD GLU A 43 -19.293 -13.978 3.938 1.00 1.68 C ATOM 663 OE1 GLU A 43 -20.139 -14.141 4.843 1.00 2.28 O ATOM 664 OE2 GLU A 43 -19.118 -14.813 3.028 1.00 1.87 O ATOM 0 H GLU A 43 -14.767 -12.983 5.250 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.288 -11.204 3.597 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -16.584 -13.732 4.121 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -17.268 -13.210 5.648 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -18.997 -11.927 4.455 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -18.297 -12.388 2.916 1.00 1.21 H new ATOM 671 N PHE A 44 -16.275 -10.772 6.838 1.00 0.86 N ATOM 672 CA PHE A 44 -16.744 -9.884 7.893 1.00 0.97 C ATOM 673 C PHE A 44 -16.225 -8.471 7.675 1.00 0.96 C ATOM 674 O PHE A 44 -16.852 -7.497 8.089 1.00 1.02 O ATOM 675 CB PHE A 44 -16.332 -10.373 9.278 1.00 1.11 C ATOM 676 CG PHE A 44 -16.919 -11.701 9.664 1.00 1.69 C ATOM 677 CD1 PHE A 44 -16.105 -12.814 9.800 1.00 2.33 C ATOM 678 CD2 PHE A 44 -18.280 -11.841 9.877 1.00 1.86 C ATOM 679 CE1 PHE A 44 -16.639 -14.040 10.145 1.00 3.18 C ATOM 680 CE2 PHE A 44 -18.820 -13.064 10.223 1.00 2.66 C ATOM 681 CZ PHE A 44 -18.008 -14.150 10.394 1.00 3.34 C ATOM 0 H PHE A 44 -15.589 -11.466 7.135 1.00 0.86 H new ATOM 0 HA PHE A 44 -17.833 -9.883 7.846 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -15.245 -10.444 9.317 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -16.629 -9.629 10.017 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -15.042 -12.722 9.634 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -18.927 -10.983 9.771 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -16.001 -14.908 10.222 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -19.887 -13.163 10.359 1.00 2.66 H new ATOM 0 HZ PHE A 44 -18.425 -15.091 10.721 1.00 3.34 H new ATOM 691 N LYS A 45 -15.085 -8.365 7.011 1.00 0.90 N ATOM 692 CA LYS A 45 -14.496 -7.066 6.716 1.00 0.93 C ATOM 693 C LYS A 45 -15.356 -6.289 5.725 1.00 0.89 C ATOM 694 O LYS A 45 -15.319 -5.059 5.692 1.00 0.98 O ATOM 695 CB LYS A 45 -13.075 -7.226 6.183 1.00 0.94 C ATOM 696 CG LYS A 45 -12.043 -7.456 7.278 1.00 1.07 C ATOM 697 CD LYS A 45 -12.327 -8.709 8.080 1.00 1.09 C ATOM 698 CE LYS A 45 -11.316 -8.894 9.190 1.00 1.27 C ATOM 699 NZ LYS A 45 -11.371 -7.798 10.190 1.00 1.94 N ATOM 0 H LYS A 45 -14.549 -9.161 6.666 1.00 0.90 H new ATOM 0 HA LYS A 45 -14.453 -6.498 7.645 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -13.048 -8.064 5.486 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.803 -6.334 5.619 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -11.052 -7.530 6.831 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -12.027 -6.595 7.946 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -13.329 -8.652 8.504 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -12.309 -9.577 7.421 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -11.497 -9.847 9.688 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -10.315 -8.943 8.762 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -10.842 -8.078 11.041 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -10.948 -6.938 9.786 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -12.362 -7.610 10.444 1.00 1.94 H new ATOM 713 N PHE A 46 -16.141 -7.007 4.936 1.00 0.79 N ATOM 714 CA PHE A 46 -17.055 -6.376 3.998 1.00 0.78 C ATOM 715 C PHE A 46 -18.287 -5.850 4.725 1.00 0.83 C ATOM 716 O PHE A 46 -18.708 -4.714 4.516 1.00 0.93 O ATOM 717 CB PHE A 46 -17.489 -7.367 2.916 1.00 0.74 C ATOM 718 CG PHE A 46 -16.378 -7.819 2.005 1.00 0.65 C ATOM 719 CD1 PHE A 46 -16.130 -9.169 1.808 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.588 -6.896 1.339 1.00 0.64 C ATOM 721 CE1 PHE A 46 -15.117 -9.588 0.964 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.574 -7.308 0.496 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.339 -8.655 0.308 1.00 0.54 C ATOM 0 H PHE A 46 -16.163 -8.027 4.927 1.00 0.79 H new ATOM 0 HA PHE A 46 -16.531 -5.543 3.529 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.927 -8.242 3.396 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -18.273 -6.908 2.313 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -16.735 -9.903 2.320 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -15.767 -5.840 1.481 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -14.935 -10.643 0.819 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -13.966 -6.577 -0.015 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.547 -8.979 -0.352 1.00 0.54 H new ATOM 733 N VAL A 47 -18.843 -6.675 5.600 1.00 0.81 N ATOM 734 CA VAL A 47 -20.102 -6.361 6.265 1.00 0.88 C ATOM 735 C VAL A 47 -19.921 -5.372 7.421 1.00 0.87 C ATOM 736 O VAL A 47 -20.732 -4.462 7.593 1.00 0.92 O ATOM 737 CB VAL A 47 -20.802 -7.647 6.764 1.00 0.97 C ATOM 738 CG1 VAL A 47 -19.915 -8.424 7.724 1.00 0.98 C ATOM 739 CG2 VAL A 47 -22.140 -7.313 7.403 1.00 1.07 C ATOM 0 H VAL A 47 -18.440 -7.573 5.868 1.00 0.81 H new ATOM 0 HA VAL A 47 -20.736 -5.880 5.520 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.986 -8.286 5.901 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -20.437 -9.322 8.056 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.992 -8.707 7.218 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -19.680 -7.801 8.587 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -22.618 -8.230 7.748 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -21.982 -6.645 8.250 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -22.781 -6.824 6.670 1.00 1.07 H new ATOM 749 N ASN A 48 -18.851 -5.530 8.194 1.00 0.86 N ATOM 750 CA ASN A 48 -18.634 -4.684 9.365 1.00 0.90 C ATOM 751 C ASN A 48 -18.148 -3.300 8.953 1.00 0.82 C ATOM 752 O ASN A 48 -18.557 -2.290 9.522 1.00 0.91 O ATOM 753 CB ASN A 48 -17.627 -5.323 10.328 1.00 0.96 C ATOM 754 CG ASN A 48 -17.411 -4.490 11.581 1.00 1.07 C ATOM 755 OD1 ASN A 48 -18.319 -3.811 12.058 1.00 1.50 O ATOM 756 ND2 ASN A 48 -16.207 -4.541 12.128 1.00 1.66 N ATOM 0 H ASN A 48 -18.126 -6.229 8.034 1.00 0.86 H new ATOM 0 HA ASN A 48 -19.590 -4.583 9.878 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -17.979 -6.315 10.611 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -16.674 -5.457 9.816 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -16.008 -4.006 12.973 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -15.478 -5.115 11.704 1.00 1.66 H new ATOM 763 N ARG A 49 -17.283 -3.254 7.951 1.00 0.69 N ATOM 764 CA ARG A 49 -16.736 -1.987 7.484 1.00 0.63 C ATOM 765 C ARG A 49 -17.634 -1.352 6.433 1.00 0.58 C ATOM 766 O ARG A 49 -17.473 -0.180 6.094 1.00 0.57 O ATOM 767 CB ARG A 49 -15.341 -2.186 6.913 1.00 0.59 C ATOM 768 CG ARG A 49 -14.290 -2.498 7.960 1.00 0.92 C ATOM 769 CD ARG A 49 -12.953 -2.822 7.316 1.00 1.01 C ATOM 770 NE ARG A 49 -11.902 -3.030 8.308 1.00 1.28 N ATOM 771 CZ ARG A 49 -10.719 -3.578 8.040 1.00 1.45 C ATOM 772 NH1 ARG A 49 -10.437 -3.984 6.808 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.819 -3.724 9.006 1.00 2.00 N ATOM 0 H ARG A 49 -16.945 -4.074 7.447 1.00 0.69 H new ATOM 0 HA ARG A 49 -16.681 -1.317 8.342 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -15.368 -2.998 6.186 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -15.047 -1.285 6.374 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -14.177 -1.646 8.631 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -14.618 -3.341 8.568 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -13.054 -3.717 6.702 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -12.666 -2.009 6.649 1.00 1.01 H new ATOM 0 HE ARG A 49 -12.086 -2.737 9.267 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -11.127 -3.876 6.065 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -9.530 -4.404 6.604 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -10.034 -3.416 9.954 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.913 -4.144 8.799 1.00 2.00 H new ATOM 787 N ASN A 50 -18.568 -2.146 5.911 1.00 0.60 N ATOM 788 CA ASN A 50 -19.489 -1.704 4.857 1.00 0.63 C ATOM 789 C ASN A 50 -18.728 -1.383 3.577 1.00 0.54 C ATOM 790 O ASN A 50 -19.274 -0.797 2.643 1.00 0.61 O ATOM 791 CB ASN A 50 -20.301 -0.481 5.300 1.00 0.71 C ATOM 792 CG ASN A 50 -21.160 -0.751 6.520 1.00 1.46 C ATOM 793 OD1 ASN A 50 -20.723 -0.562 7.655 1.00 2.26 O ATOM 794 ND2 ASN A 50 -22.388 -1.192 6.298 1.00 2.05 N ATOM 0 H ASN A 50 -18.710 -3.113 6.204 1.00 0.60 H new ATOM 0 HA ASN A 50 -20.181 -2.523 4.664 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -19.620 0.342 5.517 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -20.939 -0.158 4.477 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -23.009 -1.388 7.083 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -22.713 -1.336 5.342 1.00 2.05 H new ATOM 801 N GLY A 51 -17.465 -1.782 3.542 1.00 0.46 N ATOM 802 CA GLY A 51 -16.616 -1.501 2.405 1.00 0.41 C ATOM 803 C GLY A 51 -15.766 -0.263 2.613 1.00 0.33 C ATOM 804 O GLY A 51 -14.814 -0.027 1.872 1.00 0.34 O ATOM 0 H GLY A 51 -17.009 -2.302 4.292 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -15.967 -2.357 2.218 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.234 -1.370 1.517 1.00 0.41 H new ATOM 808 N LYS A 52 -16.096 0.518 3.635 1.00 0.29 N ATOM 809 CA LYS A 52 -15.386 1.759 3.903 1.00 0.29 C ATOM 810 C LYS A 52 -14.447 1.622 5.094 1.00 0.30 C ATOM 811 O LYS A 52 -14.852 1.189 6.174 1.00 0.36 O ATOM 812 CB LYS A 52 -16.368 2.902 4.162 1.00 0.34 C ATOM 813 CG LYS A 52 -17.153 3.335 2.937 1.00 1.14 C ATOM 814 CD LYS A 52 -17.896 4.636 3.197 1.00 1.28 C ATOM 815 CE LYS A 52 -16.938 5.810 3.361 1.00 1.67 C ATOM 816 NZ LYS A 52 -17.659 7.093 3.572 1.00 2.43 N ATOM 0 H LYS A 52 -16.850 0.313 4.290 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.793 1.985 3.017 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -17.068 2.596 4.939 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -15.817 3.759 4.549 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -16.475 3.462 2.093 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -17.863 2.555 2.662 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -18.579 4.836 2.371 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.504 4.534 4.096 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -16.277 5.623 4.207 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -16.308 5.890 2.475 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -16.970 7.865 3.679 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -18.271 7.286 2.754 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -18.241 7.027 4.431 1.00 2.43 H new ATOM 830 N ASN A 53 -13.190 1.981 4.885 1.00 0.30 N ATOM 831 CA ASN A 53 -12.218 2.040 5.968 1.00 0.34 C ATOM 832 C ASN A 53 -11.191 3.131 5.693 1.00 0.27 C ATOM 833 O ASN A 53 -10.482 3.086 4.684 1.00 0.24 O ATOM 834 CB ASN A 53 -11.513 0.690 6.130 1.00 0.43 C ATOM 835 CG ASN A 53 -10.524 0.678 7.281 1.00 1.14 C ATOM 836 OD1 ASN A 53 -10.713 1.359 8.288 1.00 1.72 O ATOM 837 ND2 ASN A 53 -9.461 -0.096 7.140 1.00 2.05 N ATOM 0 H ASN A 53 -12.817 2.237 3.971 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.746 2.273 6.893 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.260 -0.088 6.290 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -10.991 0.445 5.205 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -8.762 -0.143 7.882 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -9.340 -0.646 6.290 1.00 2.05 H new ATOM 844 N GLU A 54 -11.117 4.110 6.581 1.00 0.30 N ATOM 845 CA GLU A 54 -10.134 5.173 6.450 1.00 0.28 C ATOM 846 C GLU A 54 -8.829 4.770 7.119 1.00 0.28 C ATOM 847 O GLU A 54 -8.806 4.281 8.250 1.00 0.40 O ATOM 848 CB GLU A 54 -10.666 6.487 7.030 1.00 0.33 C ATOM 849 CG GLU A 54 -11.726 7.143 6.156 1.00 0.35 C ATOM 850 CD GLU A 54 -12.232 8.454 6.727 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.139 8.424 7.585 1.00 1.15 O ATOM 852 OE2 GLU A 54 -11.737 9.522 6.314 1.00 1.47 O ATOM 0 H GLU A 54 -11.724 4.190 7.397 1.00 0.30 H new ATOM 0 HA GLU A 54 -9.941 5.334 5.389 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.086 6.297 8.018 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -9.835 7.180 7.164 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.313 7.320 5.163 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.565 6.458 6.034 1.00 0.35 H new ATOM 859 N LEU A 55 -7.746 4.969 6.392 1.00 0.21 N ATOM 860 CA LEU A 55 -6.429 4.525 6.814 1.00 0.22 C ATOM 861 C LEU A 55 -5.714 5.593 7.630 1.00 0.24 C ATOM 862 O LEU A 55 -5.366 5.375 8.790 1.00 0.32 O ATOM 863 CB LEU A 55 -5.601 4.171 5.582 1.00 0.21 C ATOM 864 CG LEU A 55 -5.915 2.821 4.947 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.216 2.707 3.603 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.496 1.683 5.866 1.00 0.54 C ATOM 0 H LEU A 55 -7.754 5.444 5.490 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.548 3.648 7.450 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.747 4.948 4.832 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.546 4.187 5.857 1.00 0.21 H new ATOM 0 HG LEU A 55 -6.992 2.749 4.792 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.445 1.740 3.155 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.562 3.503 2.944 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.139 2.796 3.744 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.729 0.729 5.393 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.424 1.743 6.053 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -6.034 1.761 6.811 1.00 0.54 H new ATOM 878 N ILE A 56 -5.501 6.744 7.018 1.00 0.21 N ATOM 879 CA ILE A 56 -4.749 7.815 7.650 1.00 0.22 C ATOM 880 C ILE A 56 -5.239 9.160 7.129 1.00 0.22 C ATOM 881 O ILE A 56 -5.626 9.266 5.968 1.00 0.22 O ATOM 882 CB ILE A 56 -3.237 7.654 7.372 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.418 8.657 8.182 1.00 0.23 C ATOM 884 CG2 ILE A 56 -2.956 7.823 5.887 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.933 8.378 8.154 1.00 0.25 C ATOM 0 H ILE A 56 -5.839 6.962 6.081 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.906 7.768 8.728 1.00 0.22 H new ATOM 0 HB ILE A 56 -2.941 6.651 7.678 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.599 9.660 7.796 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.763 8.647 9.216 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.888 7.708 5.703 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.505 7.067 5.325 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.274 8.815 5.567 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.411 9.127 8.749 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.741 7.388 8.568 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.575 8.417 7.125 1.00 0.25 H new ATOM 897 N ARG A 57 -5.237 10.176 7.976 1.00 0.26 N ATOM 898 CA ARG A 57 -5.779 11.468 7.586 1.00 0.27 C ATOM 899 C ARG A 57 -4.814 12.611 7.894 1.00 0.29 C ATOM 900 O ARG A 57 -3.784 12.408 8.542 1.00 0.34 O ATOM 901 CB ARG A 57 -7.129 11.702 8.275 1.00 0.37 C ATOM 902 CG ARG A 57 -7.048 11.801 9.789 1.00 0.49 C ATOM 903 CD ARG A 57 -7.185 13.238 10.255 1.00 0.88 C ATOM 904 NE ARG A 57 -7.157 13.350 11.708 1.00 1.34 N ATOM 905 CZ ARG A 57 -7.828 14.271 12.393 1.00 1.83 C ATOM 906 NH1 ARG A 57 -8.599 15.146 11.755 1.00 1.96 N ATOM 907 NH2 ARG A 57 -7.732 14.313 13.715 1.00 2.23 N ATOM 0 H ARG A 57 -4.871 10.134 8.927 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.925 11.453 6.506 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.569 12.620 7.885 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.805 10.888 8.011 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.834 11.194 10.238 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -6.097 11.394 10.132 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -6.377 13.834 9.831 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -8.120 13.653 9.878 1.00 0.88 H new ATOM 0 HE ARG A 57 -6.589 12.683 12.230 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -8.676 15.111 10.739 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -9.113 15.852 12.282 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -7.144 13.639 14.205 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -8.246 15.019 14.242 1.00 2.23 H new ATOM 921 N ASN A 58 -5.172 13.803 7.410 1.00 0.30 N ATOM 922 CA ASN A 58 -4.386 15.022 7.595 1.00 0.33 C ATOM 923 C ASN A 58 -3.073 14.935 6.813 1.00 0.31 C ATOM 924 O ASN A 58 -1.997 15.271 7.307 1.00 0.33 O ATOM 925 CB ASN A 58 -4.147 15.287 9.088 1.00 0.39 C ATOM 926 CG ASN A 58 -3.392 16.577 9.361 1.00 0.46 C ATOM 927 OD1 ASN A 58 -3.474 17.538 8.593 1.00 1.01 O ATOM 928 ND2 ASN A 58 -2.654 16.606 10.460 1.00 1.40 N ATOM 0 H ASN A 58 -6.026 13.949 6.872 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.947 15.869 7.200 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -5.108 15.322 9.601 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.589 14.452 9.512 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -2.126 17.446 10.698 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -2.614 15.789 11.069 1.00 1.40 H new ATOM 935 N LEU A 59 -3.178 14.482 5.568 1.00 0.28 N ATOM 936 CA LEU A 59 -2.017 14.349 4.697 1.00 0.27 C ATOM 937 C LEU A 59 -1.539 15.716 4.214 1.00 0.33 C ATOM 938 O LEU A 59 -0.403 15.867 3.765 1.00 0.33 O ATOM 939 CB LEU A 59 -2.357 13.465 3.499 1.00 0.24 C ATOM 940 CG LEU A 59 -2.972 12.110 3.850 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.198 11.290 2.595 1.00 0.19 C ATOM 942 CD2 LEU A 59 -2.090 11.351 4.824 1.00 0.20 C ATOM 0 H LEU A 59 -4.059 14.200 5.139 1.00 0.28 H new ATOM 0 HA LEU A 59 -1.214 13.885 5.269 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -3.049 14.005 2.853 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.448 13.296 2.922 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.935 12.289 4.329 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.636 10.329 2.863 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.875 11.824 1.928 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.246 11.127 2.091 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.549 10.391 5.058 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -1.111 11.185 4.375 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.976 11.931 5.740 1.00 0.20 H new ATOM 954 N GLN A 60 -2.422 16.705 4.303 1.00 0.40 N ATOM 955 CA GLN A 60 -2.089 18.078 3.936 1.00 0.49 C ATOM 956 C GLN A 60 -0.863 18.564 4.685 1.00 0.51 C ATOM 957 O GLN A 60 0.059 19.142 4.108 1.00 0.53 O ATOM 958 CB GLN A 60 -3.227 19.005 4.309 1.00 0.62 C ATOM 959 CG GLN A 60 -2.997 20.447 3.878 1.00 0.81 C ATOM 960 CD GLN A 60 -3.806 21.439 4.686 1.00 1.00 C ATOM 961 OE1 GLN A 60 -4.893 21.131 5.164 1.00 1.76 O ATOM 962 NE2 GLN A 60 -3.276 22.638 4.852 1.00 1.27 N ATOM 0 H GLN A 60 -3.381 16.580 4.628 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.904 18.087 2.862 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -4.148 18.640 3.854 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -3.372 18.975 5.389 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -1.938 20.685 3.975 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -3.252 20.551 2.823 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -2.369 22.857 4.439 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -3.773 23.345 5.393 1.00 1.27 H new ATOM 971 N SER A 61 -0.868 18.306 5.977 1.00 0.53 N ATOM 972 CA SER A 61 0.090 18.895 6.885 1.00 0.60 C ATOM 973 C SER A 61 1.363 18.061 6.987 1.00 0.48 C ATOM 974 O SER A 61 2.293 18.424 7.710 1.00 0.56 O ATOM 975 CB SER A 61 -0.573 19.060 8.247 1.00 0.79 C ATOM 976 OG SER A 61 -1.670 19.958 8.162 1.00 1.59 O ATOM 0 H SER A 61 -1.538 17.681 6.426 1.00 0.53 H new ATOM 0 HA SER A 61 0.393 19.869 6.502 1.00 0.60 H new ATOM 0 HB2 SER A 61 -0.916 18.091 8.611 1.00 0.79 H new ATOM 0 HB3 SER A 61 0.154 19.432 8.969 1.00 0.79 H new ATOM 0 HG SER A 61 -2.507 19.464 8.284 1.00 1.59 H new ATOM 982 N ASP A 62 1.399 16.952 6.260 1.00 0.41 N ATOM 983 CA ASP A 62 2.598 16.118 6.190 1.00 0.41 C ATOM 984 C ASP A 62 2.456 15.061 5.106 1.00 0.36 C ATOM 985 O ASP A 62 1.538 14.243 5.133 1.00 0.33 O ATOM 986 CB ASP A 62 2.891 15.443 7.530 1.00 0.52 C ATOM 987 CG ASP A 62 4.197 14.672 7.501 1.00 1.18 C ATOM 988 OD1 ASP A 62 4.158 13.437 7.289 1.00 1.92 O ATOM 989 OD2 ASP A 62 5.263 15.285 7.694 1.00 1.41 O ATOM 0 H ASP A 62 0.613 16.607 5.709 1.00 0.41 H new ATOM 0 HA ASP A 62 3.434 16.774 5.945 1.00 0.41 H new ATOM 0 HB2 ASP A 62 2.932 16.198 8.315 1.00 0.52 H new ATOM 0 HB3 ASP A 62 2.075 14.766 7.781 1.00 0.52 H new ATOM 994 N LYS A 63 3.381 15.088 4.156 1.00 0.39 N ATOM 995 CA LYS A 63 3.345 14.181 3.018 1.00 0.40 C ATOM 996 C LYS A 63 3.657 12.761 3.420 1.00 0.33 C ATOM 997 O LYS A 63 3.073 11.819 2.890 1.00 0.30 O ATOM 998 CB LYS A 63 4.345 14.603 1.962 1.00 0.52 C ATOM 999 CG LYS A 63 3.955 15.860 1.238 1.00 1.06 C ATOM 1000 CD LYS A 63 4.858 16.106 0.050 1.00 1.18 C ATOM 1001 CE LYS A 63 4.255 17.140 -0.876 1.00 1.00 C ATOM 1002 NZ LYS A 63 4.130 18.468 -0.221 1.00 1.68 N ATOM 0 H LYS A 63 4.171 15.733 4.152 1.00 0.39 H new ATOM 0 HA LYS A 63 2.332 14.226 2.619 1.00 0.40 H new ATOM 0 HB2 LYS A 63 5.318 14.750 2.432 1.00 0.52 H new ATOM 0 HB3 LYS A 63 4.459 13.796 1.238 1.00 0.52 H new ATOM 0 HG2 LYS A 63 2.921 15.784 0.903 1.00 1.06 H new ATOM 0 HG3 LYS A 63 4.008 16.708 1.921 1.00 1.06 H new ATOM 0 HD2 LYS A 63 5.835 16.445 0.394 1.00 1.18 H new ATOM 0 HD3 LYS A 63 5.016 15.174 -0.492 1.00 1.18 H new ATOM 0 HE2 LYS A 63 4.874 17.233 -1.768 1.00 1.00 H new ATOM 0 HE3 LYS A 63 3.272 16.803 -1.204 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 3.792 19.166 -0.914 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 3.452 18.405 0.565 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 5.058 18.764 0.145 1.00 1.68 H new ATOM 1016 N LYS A 64 4.590 12.613 4.348 1.00 0.34 N ATOM 1017 CA LYS A 64 5.063 11.295 4.752 1.00 0.33 C ATOM 1018 C LYS A 64 3.923 10.448 5.304 1.00 0.27 C ATOM 1019 O LYS A 64 3.993 9.217 5.304 1.00 0.27 O ATOM 1020 CB LYS A 64 6.178 11.408 5.793 1.00 0.40 C ATOM 1021 CG LYS A 64 7.460 12.045 5.273 1.00 0.42 C ATOM 1022 CD LYS A 64 8.048 11.261 4.110 1.00 0.38 C ATOM 1023 CE LYS A 64 9.457 11.727 3.775 1.00 0.51 C ATOM 1024 NZ LYS A 64 9.489 13.143 3.329 1.00 1.07 N ATOM 0 H LYS A 64 5.036 13.389 4.837 1.00 0.34 H new ATOM 0 HA LYS A 64 5.462 10.805 3.864 1.00 0.33 H new ATOM 0 HB2 LYS A 64 5.813 11.992 6.637 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.409 10.412 6.171 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.255 13.067 4.956 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.191 12.102 6.080 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.065 10.200 4.358 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.409 11.374 3.234 1.00 0.38 H new ATOM 0 HE2 LYS A 64 10.095 11.610 4.651 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.871 11.092 2.992 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 10.454 13.391 3.031 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 8.836 13.270 2.529 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 9.199 13.761 4.114 1.00 1.07 H new ATOM 1038 N LEU A 65 2.880 11.109 5.784 1.00 0.25 N ATOM 1039 CA LEU A 65 1.679 10.429 6.223 1.00 0.21 C ATOM 1040 C LEU A 65 1.053 9.626 5.080 1.00 0.17 C ATOM 1041 O LEU A 65 0.561 8.521 5.299 1.00 0.18 O ATOM 1042 CB LEU A 65 0.680 11.438 6.784 1.00 0.24 C ATOM 1043 CG LEU A 65 1.167 12.232 7.999 1.00 0.28 C ATOM 1044 CD1 LEU A 65 0.068 13.141 8.518 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.648 11.295 9.095 1.00 0.31 C ATOM 0 H LEU A 65 2.846 12.124 5.878 1.00 0.25 H new ATOM 0 HA LEU A 65 1.950 9.728 7.013 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.415 12.140 5.994 1.00 0.24 H new ATOM 0 HB3 LEU A 65 -0.232 10.908 7.058 1.00 0.24 H new ATOM 0 HG LEU A 65 2.007 12.853 7.687 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.433 13.697 9.382 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.227 13.840 7.735 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.793 12.540 8.811 1.00 0.34 H new ATOM 0 HD21 LEU A 65 1.990 11.879 9.949 1.00 0.31 H new ATOM 0 HD22 LEU A 65 0.829 10.646 9.404 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.471 10.687 8.719 1.00 0.31 H new ATOM 1057 N PHE A 66 1.084 10.165 3.858 1.00 0.15 N ATOM 1058 CA PHE A 66 0.604 9.424 2.696 1.00 0.13 C ATOM 1059 C PHE A 66 1.492 8.207 2.459 1.00 0.14 C ATOM 1060 O PHE A 66 1.007 7.142 2.090 1.00 0.15 O ATOM 1061 CB PHE A 66 0.572 10.320 1.445 1.00 0.14 C ATOM 1062 CG PHE A 66 0.185 9.603 0.172 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.846 8.682 0.159 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.861 9.851 -1.011 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.199 8.020 -1.005 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.513 9.198 -2.178 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.517 8.280 -2.174 1.00 0.21 C ATOM 0 H PHE A 66 1.433 11.101 3.652 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.415 9.090 2.893 1.00 0.13 H new ATOM 0 HB2 PHE A 66 -0.130 11.136 1.616 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.556 10.769 1.310 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.385 8.475 1.072 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.671 10.565 -1.022 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -2.006 7.302 -0.997 1.00 0.15 H new ATOM 0 HE2 PHE A 66 1.047 9.406 -3.093 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.788 7.766 -3.085 1.00 0.21 H new ATOM 1077 N TYR A 67 2.789 8.364 2.716 1.00 0.16 N ATOM 1078 CA TYR A 67 3.742 7.279 2.502 1.00 0.18 C ATOM 1079 C TYR A 67 3.381 6.108 3.404 1.00 0.16 C ATOM 1080 O TYR A 67 3.178 4.983 2.951 1.00 0.18 O ATOM 1081 CB TYR A 67 5.185 7.700 2.817 1.00 0.22 C ATOM 1082 CG TYR A 67 5.751 8.817 1.967 1.00 0.26 C ATOM 1083 CD1 TYR A 67 4.993 9.924 1.646 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.067 8.776 1.527 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.516 10.966 0.913 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.600 9.810 0.782 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.819 10.905 0.479 1.00 0.35 C ATOM 1088 OH TYR A 67 7.348 11.945 -0.253 1.00 0.40 O ATOM 0 H TYR A 67 3.202 9.227 3.071 1.00 0.16 H new ATOM 0 HA TYR A 67 3.687 7.003 1.449 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.233 8.005 3.862 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.829 6.827 2.710 1.00 0.22 H new ATOM 0 HD1 TYR A 67 3.966 9.975 1.977 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.683 7.923 1.771 1.00 0.33 H new ATOM 0 HE1 TYR A 67 4.906 11.826 0.680 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.623 9.761 0.439 1.00 0.37 H new ATOM 0 HH TYR A 67 8.324 11.865 -0.276 1.00 0.40 H new ATOM 1098 N SER A 68 3.312 6.394 4.696 1.00 0.15 N ATOM 1099 CA SER A 68 2.968 5.401 5.692 1.00 0.18 C ATOM 1100 C SER A 68 1.520 4.940 5.528 1.00 0.17 C ATOM 1101 O SER A 68 1.193 3.793 5.817 1.00 0.20 O ATOM 1102 CB SER A 68 3.199 5.970 7.096 1.00 0.26 C ATOM 1103 OG SER A 68 2.927 5.007 8.097 1.00 1.22 O ATOM 0 H SER A 68 3.494 7.322 5.079 1.00 0.15 H new ATOM 0 HA SER A 68 3.611 4.532 5.553 1.00 0.18 H new ATOM 0 HB2 SER A 68 4.231 6.309 7.187 1.00 0.26 H new ATOM 0 HB3 SER A 68 2.562 6.842 7.246 1.00 0.26 H new ATOM 0 HG SER A 68 2.928 4.112 7.699 1.00 1.22 H new ATOM 1109 N GLY A 69 0.652 5.825 5.063 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.706 5.421 4.764 1.00 0.17 C ATOM 1111 C GLY A 69 -0.728 4.315 3.730 1.00 0.16 C ATOM 1112 O GLY A 69 -1.549 3.400 3.798 1.00 0.17 O ATOM 0 H GLY A 69 0.861 6.808 4.888 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.197 5.081 5.676 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.272 6.278 4.398 1.00 0.17 H new ATOM 1116 N ILE A 70 0.187 4.409 2.774 1.00 0.15 N ATOM 1117 CA ILE A 70 0.403 3.360 1.797 1.00 0.16 C ATOM 1118 C ILE A 70 0.804 2.053 2.479 1.00 0.16 C ATOM 1119 O ILE A 70 0.278 0.994 2.151 1.00 0.17 O ATOM 1120 CB ILE A 70 1.502 3.767 0.801 1.00 0.16 C ATOM 1121 CG1 ILE A 70 1.038 4.966 -0.027 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.875 2.594 -0.089 1.00 0.17 C ATOM 1123 CD1 ILE A 70 2.105 5.529 -0.940 1.00 0.18 C ATOM 0 H ILE A 70 0.799 5.217 2.657 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.535 3.210 1.262 1.00 0.16 H new ATOM 0 HB ILE A 70 2.394 4.059 1.355 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.179 4.669 -0.628 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.699 5.752 0.648 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.654 2.900 -0.787 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.242 1.773 0.526 1.00 0.17 H new ATOM 0 HG23 ILE A 70 0.997 2.266 -0.646 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.700 6.376 -1.494 1.00 0.18 H new ATOM 0 HD12 ILE A 70 2.957 5.858 -0.345 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.428 4.759 -1.640 1.00 0.18 H new ATOM 1135 N CYS A 71 1.730 2.127 3.439 1.00 0.17 N ATOM 1136 CA CYS A 71 2.194 0.925 4.126 1.00 0.18 C ATOM 1137 C CYS A 71 1.039 0.288 4.887 1.00 0.17 C ATOM 1138 O CYS A 71 0.908 -0.929 4.934 1.00 0.17 O ATOM 1139 CB CYS A 71 3.369 1.225 5.073 1.00 0.21 C ATOM 1140 SG CYS A 71 2.926 1.809 6.728 1.00 1.10 S ATOM 0 H CYS A 71 2.166 2.994 3.753 1.00 0.17 H new ATOM 0 HA CYS A 71 2.559 0.225 3.374 1.00 0.18 H new ATOM 0 HB2 CYS A 71 3.966 0.319 5.177 1.00 0.21 H new ATOM 0 HB3 CYS A 71 4.006 1.975 4.603 1.00 0.21 H new ATOM 0 HG CYS A 71 2.003 2.719 6.634 1.00 1.10 H new ATOM 1146 N GLN A 72 0.195 1.135 5.460 1.00 0.18 N ATOM 1147 CA GLN A 72 -1.017 0.688 6.141 1.00 0.19 C ATOM 1148 C GLN A 72 -1.963 0.007 5.158 1.00 0.17 C ATOM 1149 O GLN A 72 -2.704 -0.910 5.517 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.724 1.871 6.800 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.917 2.531 7.909 1.00 0.28 C ATOM 1152 CD GLN A 72 -0.706 1.617 9.103 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -1.533 0.752 9.392 1.00 1.82 O ATOM 1154 NE2 GLN A 72 0.395 1.807 9.810 1.00 1.56 N ATOM 0 H GLN A 72 0.328 2.146 5.467 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.730 -0.029 6.910 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -1.953 2.616 6.038 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.675 1.531 7.209 1.00 0.22 H new ATOM 0 HG2 GLN A 72 0.052 2.837 7.515 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -1.428 3.436 8.236 1.00 0.28 H new ATOM 0 HE21 GLN A 72 1.056 2.534 9.538 1.00 1.56 H new ATOM 0 HE22 GLN A 72 0.583 1.226 10.627 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.930 0.466 3.915 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.735 -0.116 2.856 1.00 0.15 C ATOM 1165 C PHE A 73 -2.211 -1.504 2.493 1.00 0.15 C ATOM 1166 O PHE A 73 -2.973 -2.471 2.452 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.738 0.807 1.630 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.492 0.266 0.449 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.821 -0.333 -0.600 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.871 0.348 0.395 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.509 -0.841 -1.683 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.566 -0.158 -0.685 1.00 0.17 C ATOM 1173 CZ PHE A 73 -4.884 -0.714 -1.743 1.00 0.15 C ATOM 0 H PHE A 73 -1.347 1.248 3.616 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.761 -0.223 3.208 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.171 1.766 1.914 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.707 0.998 1.331 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.744 -0.405 -0.572 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.410 0.813 1.207 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -2.975 -1.336 -2.481 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.645 -0.118 -0.700 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.421 -1.050 -2.617 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.902 -1.604 2.251 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.290 -2.892 1.917 1.00 0.19 C ATOM 1185 C VAL A 74 -0.346 -3.823 3.121 1.00 0.19 C ATOM 1186 O VAL A 74 -0.325 -5.045 2.981 1.00 0.21 O ATOM 1187 CB VAL A 74 1.182 -2.757 1.445 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.404 -1.437 0.739 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.177 -2.920 2.590 1.00 0.24 C ATOM 0 H VAL A 74 -0.252 -0.819 2.279 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.864 -3.305 1.087 1.00 0.19 H new ATOM 0 HB VAL A 74 1.361 -3.569 0.741 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.443 -1.366 0.418 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.750 -1.375 -0.131 1.00 0.28 H new ATOM 0 HG13 VAL A 74 1.179 -0.617 1.421 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.192 -2.817 2.207 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.994 -2.154 3.343 1.00 0.24 H new ATOM 0 HG23 VAL A 74 2.057 -3.906 3.039 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.408 -3.222 4.304 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.552 -3.960 5.546 1.00 0.23 C ATOM 1201 C LYS A 75 -1.733 -4.909 5.462 1.00 0.24 C ATOM 1202 O LYS A 75 -1.638 -6.079 5.830 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.743 -2.994 6.714 1.00 0.25 C ATOM 1204 CG LYS A 75 -1.079 -3.673 8.030 1.00 0.38 C ATOM 1205 CD LYS A 75 -2.038 -2.838 8.862 1.00 0.58 C ATOM 1206 CE LYS A 75 -3.441 -2.849 8.267 1.00 1.08 C ATOM 1207 NZ LYS A 75 -4.073 -4.195 8.358 1.00 1.85 N ATOM 0 H LYS A 75 -0.360 -2.210 4.425 1.00 0.20 H new ATOM 0 HA LYS A 75 0.355 -4.541 5.711 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.168 -2.409 6.841 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.540 -2.293 6.465 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -1.522 -4.649 7.833 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.163 -3.847 8.595 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -2.070 -3.224 9.881 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -1.674 -1.812 8.921 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -4.062 -2.120 8.788 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -3.395 -2.540 7.223 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -4.756 -4.311 7.582 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -3.339 -4.929 8.286 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -4.565 -4.286 9.270 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.835 -4.393 4.944 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.057 -5.162 4.813 1.00 0.24 C ATOM 1223 C GLU A 76 -3.874 -6.278 3.789 1.00 0.24 C ATOM 1224 O GLU A 76 -4.401 -7.375 3.949 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.197 -4.239 4.388 1.00 0.28 C ATOM 1226 CG GLU A 76 -6.565 -4.869 4.529 1.00 1.05 C ATOM 1227 CD GLU A 76 -7.019 -4.975 5.971 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -8.224 -5.205 6.214 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -6.169 -4.839 6.872 1.00 1.31 O ATOM 0 H GLU A 76 -2.906 -3.434 4.604 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.299 -5.614 5.775 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.161 -3.329 4.987 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -5.047 -3.943 3.350 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -7.290 -4.280 3.967 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.549 -5.864 4.084 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.111 -5.994 2.742 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.799 -6.992 1.734 1.00 0.22 C ATOM 1238 C ALA A 77 -2.035 -8.175 2.335 1.00 0.22 C ATOM 1239 O ALA A 77 -2.221 -9.317 1.914 1.00 0.24 O ATOM 1240 CB ALA A 77 -2.015 -6.364 0.595 1.00 0.24 C ATOM 0 H ALA A 77 -2.697 -5.078 2.571 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.739 -7.377 1.339 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.788 -7.124 -0.153 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.608 -5.571 0.139 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.085 -5.946 0.981 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.182 -7.905 3.325 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.477 -8.979 4.031 1.00 0.30 C ATOM 1248 C LYS A 78 -1.445 -9.701 4.964 1.00 0.31 C ATOM 1249 O LYS A 78 -1.236 -10.859 5.321 1.00 0.37 O ATOM 1250 CB LYS A 78 0.686 -8.450 4.885 1.00 0.42 C ATOM 1251 CG LYS A 78 1.519 -7.339 4.270 1.00 0.84 C ATOM 1252 CD LYS A 78 2.079 -6.432 5.361 1.00 0.72 C ATOM 1253 CE LYS A 78 2.927 -7.201 6.356 1.00 1.08 C ATOM 1254 NZ LYS A 78 3.058 -6.486 7.654 1.00 1.88 N ATOM 0 H LYS A 78 -0.964 -6.964 3.654 1.00 0.24 H new ATOM 0 HA LYS A 78 -0.079 -9.650 3.270 1.00 0.30 H new ATOM 0 HB2 LYS A 78 0.281 -8.091 5.831 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.347 -9.285 5.118 1.00 0.42 H new ATOM 0 HG2 LYS A 78 2.336 -7.767 3.688 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.908 -6.756 3.581 1.00 0.84 H new ATOM 0 HD2 LYS A 78 2.679 -5.644 4.906 1.00 0.72 H new ATOM 0 HD3 LYS A 78 1.257 -5.944 5.885 1.00 0.72 H new ATOM 0 HE2 LYS A 78 2.484 -8.182 6.527 1.00 1.08 H new ATOM 0 HE3 LYS A 78 3.918 -7.368 5.934 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 4.035 -6.571 8.000 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 2.823 -5.481 7.522 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 2.407 -6.905 8.349 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.504 -8.997 5.354 1.00 0.31 N ATOM 1269 CA ASP A 79 -3.464 -9.499 6.328 1.00 0.36 C ATOM 1270 C ASP A 79 -4.412 -10.511 5.702 1.00 0.34 C ATOM 1271 O ASP A 79 -4.668 -11.570 6.274 1.00 0.38 O ATOM 1272 CB ASP A 79 -4.256 -8.341 6.935 1.00 0.41 C ATOM 1273 CG ASP A 79 -3.649 -7.811 8.221 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -3.772 -8.486 9.266 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -3.067 -6.704 8.208 1.00 1.60 O ATOM 0 H ASP A 79 -2.719 -8.064 5.003 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.907 -10.004 7.117 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -4.317 -7.531 6.209 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -5.276 -8.670 7.131 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.919 -10.196 4.516 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.868 -11.079 3.841 1.00 0.32 C ATOM 1282 C ILE A 80 -5.121 -12.059 2.952 1.00 0.30 C ATOM 1283 O ILE A 80 -5.688 -13.021 2.430 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.929 -10.293 3.018 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.623 -10.258 1.506 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -7.048 -8.879 3.559 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.478 -9.355 1.103 1.00 0.22 C ATOM 0 H ILE A 80 -4.693 -9.344 4.004 1.00 0.30 H new ATOM 0 HA ILE A 80 -6.410 -11.627 4.611 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.875 -10.822 3.130 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -6.400 -11.272 1.173 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.521 -9.938 0.977 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.792 -8.330 2.981 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.354 -8.914 4.605 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -6.084 -8.377 3.480 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.342 -9.400 0.022 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.702 -8.330 1.398 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.564 -9.684 1.597 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.832 -11.777 2.810 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.910 -12.584 2.023 1.00 0.29 C ATOM 1301 C LYS A 81 -3.199 -12.446 0.538 1.00 0.29 C ATOM 1302 O LYS A 81 -3.587 -13.401 -0.134 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.937 -14.058 2.448 1.00 0.36 C ATOM 1304 CG LYS A 81 -2.514 -14.288 3.890 1.00 0.39 C ATOM 1305 CD LYS A 81 -1.115 -13.755 4.153 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.674 -14.041 5.576 1.00 0.53 C ATOM 1307 NZ LYS A 81 0.650 -13.439 5.873 1.00 1.47 N ATOM 0 H LYS A 81 -3.391 -10.967 3.246 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.905 -12.207 2.214 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.945 -14.449 2.308 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -2.280 -14.628 1.791 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -3.222 -13.800 4.560 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -2.546 -15.354 4.114 1.00 0.39 H new ATOM 0 HD2 LYS A 81 -0.413 -14.210 3.454 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -1.093 -12.680 3.972 1.00 0.40 H new ATOM 0 HE2 LYS A 81 -1.416 -13.650 6.272 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -0.627 -15.119 5.733 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 1.218 -14.107 6.432 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 1.143 -13.227 4.982 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 0.518 -12.560 6.413 1.00 1.47 H new ATOM 1321 N GLY A 82 -3.022 -11.235 0.041 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.206 -10.984 -1.365 1.00 0.26 C ATOM 1323 C GLY A 82 -1.945 -10.509 -2.049 1.00 0.22 C ATOM 1324 O GLY A 82 -0.830 -10.841 -1.638 1.00 0.23 O ATOM 0 H GLY A 82 -2.753 -10.419 0.591 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.554 -11.897 -1.849 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -3.988 -10.236 -1.496 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.135 -9.763 -3.121 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.054 -9.155 -3.869 1.00 0.17 C ATOM 1330 C LYS A 83 -1.252 -7.647 -3.881 1.00 0.16 C ATOM 1331 O LYS A 83 -2.384 -7.172 -3.804 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.016 -9.689 -5.306 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.296 -11.020 -5.450 1.00 0.26 C ATOM 1334 CD LYS A 83 -1.036 -12.140 -4.747 1.00 0.30 C ATOM 1335 CE LYS A 83 -0.080 -13.057 -4.009 1.00 0.42 C ATOM 1336 NZ LYS A 83 0.732 -13.893 -4.932 1.00 1.06 N ATOM 0 H LYS A 83 -3.059 -9.560 -3.501 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.106 -9.404 -3.392 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.038 -9.799 -5.669 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.528 -8.952 -5.944 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.189 -11.263 -6.507 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.710 -10.935 -5.039 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.754 -11.718 -4.044 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.605 -12.716 -5.477 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.585 -12.459 -3.386 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.646 -13.705 -3.340 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.369 -14.502 -4.379 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 0.102 -14.485 -5.509 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 1.294 -13.278 -5.554 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.172 -6.900 -3.986 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.254 -5.452 -3.945 1.00 0.15 C ATOM 1352 C LEU A 84 -0.029 -4.872 -5.338 1.00 0.15 C ATOM 1353 O LEU A 84 0.870 -5.300 -6.057 1.00 0.17 O ATOM 1354 CB LEU A 84 0.770 -4.907 -2.944 1.00 0.16 C ATOM 1355 CG LEU A 84 0.570 -3.454 -2.501 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.155 -2.494 -3.523 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -0.908 -3.151 -2.271 1.00 0.15 C ATOM 0 H LEU A 84 0.772 -7.269 -4.100 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.249 -5.153 -3.616 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.755 -5.541 -2.058 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.763 -4.998 -3.384 1.00 0.16 H new ATOM 0 HG LEU A 84 1.097 -3.317 -1.557 1.00 0.16 H new ATOM 0 HD11 LEU A 84 1.002 -1.468 -3.188 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.223 -2.684 -3.632 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.661 -2.640 -4.484 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.022 -2.113 -1.957 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.461 -3.313 -3.196 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.298 -3.810 -1.495 1.00 0.15 H new ATOM 1369 N THR A 85 -0.867 -3.916 -5.712 1.00 0.16 N ATOM 1370 CA THR A 85 -0.771 -3.257 -7.003 1.00 0.17 C ATOM 1371 C THR A 85 -0.630 -1.745 -6.831 1.00 0.17 C ATOM 1372 O THR A 85 -1.415 -1.110 -6.125 1.00 0.21 O ATOM 1373 CB THR A 85 -2.017 -3.560 -7.863 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.113 -4.968 -8.096 1.00 0.20 O ATOM 1375 CG2 THR A 85 -1.976 -2.821 -9.197 1.00 0.20 C ATOM 0 H THR A 85 -1.632 -3.577 -5.128 1.00 0.16 H new ATOM 0 HA THR A 85 0.115 -3.642 -7.507 1.00 0.17 H new ATOM 0 HB THR A 85 -2.893 -3.213 -7.314 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.906 -5.156 -8.641 1.00 0.20 H new ATOM 0 HG21 THR A 85 -2.870 -3.060 -9.773 1.00 0.20 H new ATOM 0 HG22 THR A 85 -1.937 -1.747 -9.017 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.092 -3.127 -9.756 1.00 0.20 H new ATOM 1383 N LEU A 86 0.383 -1.179 -7.464 1.00 0.16 N ATOM 1384 CA LEU A 86 0.593 0.259 -7.451 1.00 0.18 C ATOM 1385 C LEU A 86 0.039 0.865 -8.733 1.00 0.19 C ATOM 1386 O LEU A 86 0.578 0.637 -9.810 1.00 0.21 O ATOM 1387 CB LEU A 86 2.096 0.563 -7.306 1.00 0.22 C ATOM 1388 CG LEU A 86 2.509 2.048 -7.257 1.00 0.53 C ATOM 1389 CD1 LEU A 86 2.625 2.635 -8.660 1.00 1.45 C ATOM 1390 CD2 LEU A 86 1.524 2.853 -6.416 1.00 1.51 C ATOM 0 H LEU A 86 1.079 -1.699 -7.998 1.00 0.16 H new ATOM 0 HA LEU A 86 0.069 0.700 -6.603 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.452 0.082 -6.395 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.618 0.094 -8.140 1.00 0.22 H new ATOM 0 HG LEU A 86 3.491 2.107 -6.788 1.00 0.53 H new ATOM 0 HD11 LEU A 86 2.917 3.683 -8.593 1.00 1.45 H new ATOM 0 HD12 LEU A 86 3.377 2.084 -9.224 1.00 1.45 H new ATOM 0 HD13 LEU A 86 1.663 2.559 -9.167 1.00 1.45 H new ATOM 0 HD21 LEU A 86 1.833 3.898 -6.394 1.00 1.51 H new ATOM 0 HD22 LEU A 86 0.528 2.779 -6.852 1.00 1.51 H new ATOM 0 HD23 LEU A 86 1.506 2.459 -5.400 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.038 1.618 -8.618 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.587 2.331 -9.760 1.00 0.23 C ATOM 1404 C LEU A 87 -0.799 3.616 -9.958 1.00 0.26 C ATOM 1405 O LEU A 87 -0.472 4.298 -8.991 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.064 2.661 -9.528 1.00 0.23 C ATOM 1407 CG LEU A 87 -3.957 1.474 -9.162 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.327 1.960 -8.713 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.092 0.525 -10.343 1.00 0.24 C ATOM 0 H LEU A 87 -1.551 1.753 -7.747 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.511 1.703 -10.648 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.131 3.402 -8.732 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.460 3.126 -10.431 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.493 0.934 -8.337 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -5.951 1.104 -8.456 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.217 2.603 -7.840 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -5.797 2.521 -9.521 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -4.730 -0.313 -10.065 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.535 1.054 -11.186 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.107 0.153 -10.625 1.00 0.24 H new ATOM 1421 N GLN A 88 -0.490 3.966 -11.191 1.00 0.34 N ATOM 1422 CA GLN A 88 0.294 5.163 -11.424 1.00 0.41 C ATOM 1423 C GLN A 88 -0.465 6.127 -12.318 1.00 0.47 C ATOM 1424 O GLN A 88 -1.017 5.732 -13.344 1.00 0.52 O ATOM 1425 CB GLN A 88 1.639 4.795 -12.048 1.00 0.50 C ATOM 1426 CG GLN A 88 2.620 5.950 -12.130 1.00 0.73 C ATOM 1427 CD GLN A 88 3.952 5.541 -12.727 1.00 1.23 C ATOM 1428 OE1 GLN A 88 4.385 4.394 -12.602 1.00 1.93 O ATOM 1429 NE2 GLN A 88 4.612 6.481 -13.380 1.00 1.78 N ATOM 0 H GLN A 88 -0.762 3.453 -12.029 1.00 0.34 H new ATOM 0 HA GLN A 88 0.477 5.656 -10.469 1.00 0.41 H new ATOM 0 HB2 GLN A 88 2.089 3.990 -11.467 1.00 0.50 H new ATOM 0 HB3 GLN A 88 1.468 4.406 -13.052 1.00 0.50 H new ATOM 0 HG2 GLN A 88 2.186 6.749 -12.732 1.00 0.73 H new ATOM 0 HG3 GLN A 88 2.783 6.356 -11.131 1.00 0.73 H new ATOM 0 HE21 GLN A 88 4.218 7.418 -13.461 1.00 1.78 H new ATOM 0 HE22 GLN A 88 5.515 6.269 -13.804 1.00 1.78 H new ATOM 1438 N HIS A 89 -0.438 7.395 -11.913 1.00 0.50 N ATOM 1439 CA HIS A 89 -1.196 8.486 -12.536 1.00 0.58 C ATOM 1440 C HIS A 89 -1.393 9.584 -11.500 1.00 0.56 C ATOM 1441 O HIS A 89 -1.504 10.759 -11.829 1.00 0.58 O ATOM 1442 CB HIS A 89 -2.571 8.042 -13.088 1.00 0.66 C ATOM 1443 CG HIS A 89 -3.523 7.487 -12.065 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -3.702 6.137 -11.859 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -4.360 8.108 -11.202 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -4.606 5.954 -10.916 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -5.020 7.133 -10.499 1.00 1.67 N ATOM 0 H HIS A 89 0.126 7.704 -11.121 1.00 0.50 H new ATOM 0 HA HIS A 89 -0.622 8.840 -13.392 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -3.043 8.896 -13.574 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -2.409 7.287 -13.857 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -4.485 9.175 -11.088 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -4.949 4.998 -10.548 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -5.717 7.294 -9.772 1.00 1.67 H new ATOM 1456 N PHE A 90 -1.440 9.173 -10.232 1.00 0.58 N ATOM 1457 CA PHE A 90 -1.585 10.096 -9.117 1.00 0.61 C ATOM 1458 C PHE A 90 -0.380 11.028 -9.014 1.00 0.61 C ATOM 1459 O PHE A 90 -0.476 12.124 -8.473 1.00 0.60 O ATOM 1460 CB PHE A 90 -1.744 9.304 -7.814 1.00 0.74 C ATOM 1461 CG PHE A 90 -0.496 8.591 -7.359 1.00 1.67 C ATOM 1462 CD1 PHE A 90 0.208 9.047 -6.257 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -0.027 7.472 -8.032 1.00 2.87 C ATOM 1464 CE1 PHE A 90 1.354 8.402 -5.833 1.00 2.57 C ATOM 1465 CE2 PHE A 90 1.119 6.822 -7.612 1.00 3.95 C ATOM 1466 CZ PHE A 90 1.810 7.289 -6.511 1.00 3.79 C ATOM 0 H PHE A 90 -1.378 8.193 -9.955 1.00 0.58 H new ATOM 0 HA PHE A 90 -2.472 10.707 -9.287 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -2.065 9.986 -7.026 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -2.539 8.570 -7.945 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -0.143 9.917 -5.723 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -0.563 7.104 -8.894 1.00 2.87 H new ATOM 0 HE1 PHE A 90 1.893 8.768 -4.972 1.00 2.57 H new ATOM 0 HE2 PHE A 90 1.473 5.951 -8.144 1.00 3.95 H new ATOM 0 HZ PHE A 90 2.706 6.784 -6.181 1.00 3.79 H new ATOM 1510 N PHE A 94 -0.900 14.608 -7.596 1.00 0.65 N ATOM 1511 CA PHE A 94 -0.453 14.709 -6.218 1.00 0.62 C ATOM 1512 C PHE A 94 1.021 15.077 -6.173 1.00 0.55 C ATOM 1513 O PHE A 94 1.815 14.583 -6.972 1.00 0.56 O ATOM 1514 CB PHE A 94 -0.694 13.390 -5.477 1.00 0.63 C ATOM 1515 CG PHE A 94 -2.149 13.040 -5.336 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -2.812 12.363 -6.345 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -2.852 13.385 -4.192 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -4.148 12.037 -6.217 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -4.188 13.061 -4.059 1.00 1.80 C ATOM 1520 CZ PHE A 94 -4.839 12.399 -5.075 1.00 2.62 C ATOM 0 HA PHE A 94 -1.027 15.492 -5.723 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -0.185 12.586 -6.008 1.00 0.63 H new ATOM 0 HB3 PHE A 94 -0.245 13.452 -4.486 1.00 0.63 H new ATOM 0 HD1 PHE A 94 -2.279 12.087 -7.242 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.349 13.913 -3.396 1.00 1.16 H new ATOM 0 HE1 PHE A 94 -4.652 11.500 -7.007 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -4.721 13.327 -3.158 1.00 1.80 H new ATOM 0 HZ PHE A 94 -5.889 12.162 -4.981 1.00 2.62 H new ATOM 1530 N PRO A 95 1.409 15.956 -5.241 1.00 0.57 N ATOM 1531 CA PRO A 95 2.802 16.386 -5.087 1.00 0.56 C ATOM 1532 C PRO A 95 3.677 15.336 -4.395 1.00 0.50 C ATOM 1533 O PRO A 95 4.745 15.654 -3.869 1.00 0.68 O ATOM 1534 CB PRO A 95 2.680 17.639 -4.220 1.00 0.61 C ATOM 1535 CG PRO A 95 1.457 17.406 -3.403 1.00 0.62 C ATOM 1536 CD PRO A 95 0.514 16.623 -4.276 1.00 0.69 C ATOM 0 HA PRO A 95 3.285 16.553 -6.050 1.00 0.56 H new ATOM 0 HB2 PRO A 95 3.559 17.773 -3.590 1.00 0.61 H new ATOM 0 HB3 PRO A 95 2.585 18.537 -4.830 1.00 0.61 H new ATOM 0 HG2 PRO A 95 1.695 16.854 -2.494 1.00 0.62 H new ATOM 0 HG3 PRO A 95 1.009 18.350 -3.094 1.00 0.62 H new ATOM 0 HD2 PRO A 95 -0.062 15.901 -3.697 1.00 0.69 H new ATOM 0 HD3 PRO A 95 -0.203 17.274 -4.777 1.00 0.69 H new ATOM 1544 N ILE A 96 3.219 14.091 -4.391 1.00 0.36 N ATOM 1545 CA ILE A 96 3.971 12.997 -3.800 1.00 0.29 C ATOM 1546 C ILE A 96 4.228 11.913 -4.838 1.00 0.31 C ATOM 1547 O ILE A 96 3.294 11.340 -5.397 1.00 0.34 O ATOM 1548 CB ILE A 96 3.246 12.383 -2.586 1.00 0.23 C ATOM 1549 CG1 ILE A 96 2.996 13.460 -1.534 1.00 0.29 C ATOM 1550 CG2 ILE A 96 4.086 11.264 -1.997 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.206 12.994 -0.336 1.00 0.24 C ATOM 0 H ILE A 96 2.324 13.815 -4.794 1.00 0.36 H new ATOM 0 HA ILE A 96 4.918 13.410 -3.452 1.00 0.29 H new ATOM 0 HB ILE A 96 2.288 11.974 -2.909 1.00 0.23 H new ATOM 0 HG12 ILE A 96 3.956 13.846 -1.192 1.00 0.29 H new ATOM 0 HG13 ILE A 96 2.467 14.291 -2.001 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.569 10.834 -1.139 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.244 10.492 -2.750 1.00 0.26 H new ATOM 0 HG23 ILE A 96 5.049 11.662 -1.678 1.00 0.26 H new ATOM 0 HD11 ILE A 96 2.076 13.823 0.359 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.229 12.636 -0.661 1.00 0.24 H new ATOM 0 HD13 ILE A 96 2.742 12.185 0.161 1.00 0.24 H new ATOM 1563 N LYS A 97 5.498 11.654 -5.104 1.00 0.35 N ATOM 1564 CA LYS A 97 5.891 10.665 -6.098 1.00 0.38 C ATOM 1565 C LYS A 97 6.804 9.631 -5.448 1.00 0.35 C ATOM 1566 O LYS A 97 7.873 9.978 -4.945 1.00 0.44 O ATOM 1567 CB LYS A 97 6.614 11.351 -7.259 1.00 0.50 C ATOM 1568 CG LYS A 97 5.829 12.494 -7.880 1.00 0.75 C ATOM 1569 CD LYS A 97 6.649 13.225 -8.928 1.00 0.78 C ATOM 1570 CE LYS A 97 5.872 14.382 -9.531 1.00 0.91 C ATOM 1571 NZ LYS A 97 6.664 15.116 -10.551 1.00 1.38 N ATOM 0 H LYS A 97 6.280 12.118 -4.642 1.00 0.35 H new ATOM 0 HA LYS A 97 5.003 10.167 -6.486 1.00 0.38 H new ATOM 0 HB2 LYS A 97 7.572 11.731 -6.905 1.00 0.50 H new ATOM 0 HB3 LYS A 97 6.830 10.610 -8.029 1.00 0.50 H new ATOM 0 HG2 LYS A 97 4.917 12.106 -8.335 1.00 0.75 H new ATOM 0 HG3 LYS A 97 5.524 13.193 -7.101 1.00 0.75 H new ATOM 0 HD2 LYS A 97 7.569 13.598 -8.478 1.00 0.78 H new ATOM 0 HD3 LYS A 97 6.939 12.530 -9.716 1.00 0.78 H new ATOM 0 HE2 LYS A 97 4.956 14.005 -9.986 1.00 0.91 H new ATOM 0 HE3 LYS A 97 5.575 15.070 -8.740 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 6.095 15.897 -10.936 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 7.526 15.499 -10.112 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 6.926 14.467 -11.320 1.00 1.38 H new ATOM 1585 N VAL A 98 6.402 8.364 -5.463 1.00 0.30 N ATOM 1586 CA VAL A 98 7.109 7.345 -4.690 1.00 0.26 C ATOM 1587 C VAL A 98 7.180 6.003 -5.410 1.00 0.28 C ATOM 1588 O VAL A 98 6.511 5.786 -6.423 1.00 0.33 O ATOM 1589 CB VAL A 98 6.438 7.132 -3.319 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.525 8.398 -2.481 1.00 0.25 C ATOM 1591 CG2 VAL A 98 4.987 6.701 -3.494 1.00 0.21 C ATOM 0 H VAL A 98 5.602 8.020 -5.994 1.00 0.30 H new ATOM 0 HA VAL A 98 8.125 7.719 -4.560 1.00 0.26 H new ATOM 0 HB VAL A 98 6.969 6.337 -2.795 1.00 0.21 H new ATOM 0 HG11 VAL A 98 6.046 8.229 -1.516 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.571 8.660 -2.326 1.00 0.25 H new ATOM 0 HG13 VAL A 98 6.020 9.213 -2.999 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.530 6.556 -2.515 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.442 7.472 -4.038 1.00 0.21 H new ATOM 0 HG23 VAL A 98 4.950 5.767 -4.054 1.00 0.21 H new ATOM 1601 N ASP A 99 8.008 5.114 -4.872 1.00 0.28 N ATOM 1602 CA ASP A 99 8.128 3.749 -5.370 1.00 0.32 C ATOM 1603 C ASP A 99 8.081 2.767 -4.207 1.00 0.23 C ATOM 1604 O ASP A 99 8.721 2.974 -3.176 1.00 0.27 O ATOM 1605 CB ASP A 99 9.430 3.542 -6.146 1.00 0.51 C ATOM 1606 CG ASP A 99 9.490 4.332 -7.435 1.00 0.63 C ATOM 1607 OD1 ASP A 99 9.058 3.796 -8.482 1.00 1.11 O ATOM 1608 OD2 ASP A 99 9.975 5.483 -7.414 1.00 0.98 O ATOM 0 H ASP A 99 8.615 5.320 -4.078 1.00 0.28 H new ATOM 0 HA ASP A 99 7.292 3.572 -6.047 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.271 3.827 -5.514 1.00 0.51 H new ATOM 0 HB3 ASP A 99 9.546 2.482 -6.372 1.00 0.51 H new ATOM 1613 N LEU A 100 7.308 1.712 -4.379 1.00 0.19 N ATOM 1614 CA LEU A 100 7.135 0.701 -3.353 1.00 0.13 C ATOM 1615 C LEU A 100 8.157 -0.415 -3.521 1.00 0.13 C ATOM 1616 O LEU A 100 8.385 -0.887 -4.634 1.00 0.16 O ATOM 1617 CB LEU A 100 5.724 0.108 -3.438 1.00 0.18 C ATOM 1618 CG LEU A 100 4.559 1.067 -3.149 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.462 2.174 -4.188 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.250 0.296 -3.097 1.00 0.35 C ATOM 0 H LEU A 100 6.782 1.531 -5.234 1.00 0.19 H new ATOM 0 HA LEU A 100 7.280 1.172 -2.381 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.587 -0.304 -4.438 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.661 -0.725 -2.738 1.00 0.18 H new ATOM 0 HG LEU A 100 4.751 1.533 -2.183 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.625 2.829 -3.945 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.386 2.752 -4.191 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.305 1.735 -5.173 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.430 0.984 -2.892 1.00 0.35 H new ATOM 0 HD22 LEU A 100 3.079 -0.196 -4.054 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.301 -0.454 -2.308 1.00 0.35 H new ATOM 1632 N TYR A 101 8.772 -0.833 -2.423 1.00 0.13 N ATOM 1633 CA TYR A 101 9.704 -1.958 -2.454 1.00 0.16 C ATOM 1634 C TYR A 101 9.294 -3.020 -1.442 1.00 0.16 C ATOM 1635 O TYR A 101 8.829 -2.699 -0.347 1.00 0.19 O ATOM 1636 CB TYR A 101 11.164 -1.517 -2.203 1.00 0.19 C ATOM 1637 CG TYR A 101 11.848 -0.958 -3.436 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.287 0.080 -4.168 1.00 0.20 C ATOM 1639 CD2 TYR A 101 13.052 -1.491 -3.875 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.903 0.568 -5.303 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.677 -1.003 -5.005 1.00 0.30 C ATOM 1642 CZ TYR A 101 13.097 0.024 -5.716 1.00 0.28 C ATOM 1643 OH TYR A 101 13.707 0.501 -6.851 1.00 0.33 O ATOM 0 H TYR A 101 8.645 -0.414 -1.502 1.00 0.13 H new ATOM 0 HA TYR A 101 9.660 -2.382 -3.457 1.00 0.16 H new ATOM 0 HB2 TYR A 101 11.177 -0.762 -1.417 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.735 -2.370 -1.836 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.352 0.513 -3.844 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.507 -2.300 -3.324 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.450 1.372 -5.864 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.617 -1.425 -5.330 1.00 0.30 H new ATOM 0 HH TYR A 101 13.990 1.428 -6.705 1.00 0.33 H new ATOM 1653 N PHE A 102 9.446 -4.281 -1.830 1.00 0.16 N ATOM 1654 CA PHE A 102 9.153 -5.400 -0.947 1.00 0.16 C ATOM 1655 C PHE A 102 10.428 -6.134 -0.559 1.00 0.15 C ATOM 1656 O PHE A 102 11.413 -6.134 -1.297 1.00 0.19 O ATOM 1657 CB PHE A 102 8.205 -6.415 -1.606 1.00 0.20 C ATOM 1658 CG PHE A 102 6.748 -6.063 -1.548 1.00 0.16 C ATOM 1659 CD1 PHE A 102 6.286 -5.126 -0.651 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.837 -6.700 -2.373 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.949 -4.823 -0.570 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.492 -6.397 -2.305 1.00 0.34 C ATOM 1663 CZ PHE A 102 4.046 -5.455 -1.399 1.00 0.31 C ATOM 0 H PHE A 102 9.773 -4.553 -2.757 1.00 0.16 H new ATOM 0 HA PHE A 102 8.675 -4.977 -0.064 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.493 -6.530 -2.651 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.347 -7.384 -1.127 1.00 0.20 H new ATOM 0 HD1 PHE A 102 6.986 -4.622 -0.001 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.182 -7.442 -3.078 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.604 -4.089 0.144 1.00 0.27 H new ATOM 0 HE2 PHE A 102 3.791 -6.895 -2.958 1.00 0.34 H new ATOM 0 HZ PHE A 102 2.995 -5.214 -1.340 1.00 0.31 H new ATOM 1673 N LEU A 103 10.382 -6.774 0.591 1.00 0.16 N ATOM 1674 CA LEU A 103 11.473 -7.596 1.083 1.00 0.17 C ATOM 1675 C LEU A 103 10.975 -9.035 1.199 1.00 0.18 C ATOM 1676 O LEU A 103 9.999 -9.285 1.899 1.00 0.19 O ATOM 1677 CB LEU A 103 11.900 -7.070 2.463 1.00 0.18 C ATOM 1678 CG LEU A 103 13.309 -7.427 2.965 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.535 -8.928 3.049 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.373 -6.780 2.094 1.00 0.25 C ATOM 0 H LEU A 103 9.579 -6.739 1.218 1.00 0.16 H new ATOM 0 HA LEU A 103 12.326 -7.560 0.406 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.816 -5.983 2.447 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.181 -7.435 3.197 1.00 0.18 H new ATOM 0 HG LEU A 103 13.390 -7.032 3.978 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.545 -9.124 3.409 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.813 -9.367 3.738 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.409 -9.371 2.061 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.361 -7.047 2.468 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.267 -7.132 1.068 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.255 -5.697 2.120 1.00 0.25 H new ATOM 1692 N LYS A 104 11.606 -9.971 0.497 1.00 0.23 N ATOM 1693 CA LYS A 104 11.258 -11.378 0.650 1.00 0.29 C ATOM 1694 C LYS A 104 12.498 -12.234 0.857 1.00 0.33 C ATOM 1695 O LYS A 104 13.296 -12.428 -0.063 1.00 0.39 O ATOM 1696 CB LYS A 104 10.456 -11.895 -0.538 1.00 0.42 C ATOM 1697 CG LYS A 104 9.004 -11.469 -0.492 1.00 0.60 C ATOM 1698 CD LYS A 104 8.716 -10.400 -1.517 1.00 0.64 C ATOM 1699 CE LYS A 104 8.559 -11.012 -2.895 1.00 0.66 C ATOM 1700 NZ LYS A 104 8.205 -10.004 -3.925 1.00 1.22 N ATOM 0 H LYS A 104 12.351 -9.784 -0.174 1.00 0.23 H new ATOM 0 HA LYS A 104 10.631 -11.453 1.539 1.00 0.29 H new ATOM 0 HB2 LYS A 104 10.908 -11.533 -1.461 1.00 0.42 H new ATOM 0 HB3 LYS A 104 10.511 -12.983 -0.562 1.00 0.42 H new ATOM 0 HG2 LYS A 104 8.363 -12.332 -0.673 1.00 0.60 H new ATOM 0 HG3 LYS A 104 8.763 -11.096 0.504 1.00 0.60 H new ATOM 0 HD2 LYS A 104 7.807 -9.864 -1.246 1.00 0.64 H new ATOM 0 HD3 LYS A 104 9.526 -9.670 -1.527 1.00 0.64 H new ATOM 0 HE2 LYS A 104 9.489 -11.506 -3.178 1.00 0.66 H new ATOM 0 HE3 LYS A 104 7.787 -11.781 -2.862 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 7.440 -10.374 -4.524 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 7.889 -9.129 -3.460 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 9.038 -9.802 -4.514 1.00 1.22 H new ATOM 1714 N GLY A 105 12.648 -12.753 2.066 1.00 0.34 N ATOM 1715 CA GLY A 105 13.817 -13.534 2.402 1.00 0.42 C ATOM 1716 C GLY A 105 15.027 -12.649 2.557 1.00 0.40 C ATOM 1717 O GLY A 105 15.201 -11.993 3.586 1.00 0.40 O ATOM 0 H GLY A 105 11.975 -12.645 2.825 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.640 -14.081 3.328 1.00 0.42 H new ATOM 0 HA3 GLY A 105 14.000 -14.275 1.624 1.00 0.42 H new ATOM 1721 N SER A 106 15.856 -12.620 1.534 1.00 0.40 N ATOM 1722 CA SER A 106 16.976 -11.704 1.489 1.00 0.41 C ATOM 1723 C SER A 106 16.922 -10.880 0.213 1.00 0.37 C ATOM 1724 O SER A 106 17.752 -10.010 -0.014 1.00 0.41 O ATOM 1725 CB SER A 106 18.297 -12.468 1.579 1.00 0.52 C ATOM 1726 OG SER A 106 18.356 -13.517 0.621 1.00 1.31 O ATOM 0 H SER A 106 15.774 -13.225 0.717 1.00 0.40 H new ATOM 0 HA SER A 106 16.913 -11.031 2.344 1.00 0.41 H new ATOM 0 HB2 SER A 106 19.128 -11.781 1.420 1.00 0.52 H new ATOM 0 HB3 SER A 106 18.412 -12.881 2.581 1.00 0.52 H new ATOM 0 HG SER A 106 19.213 -13.986 0.702 1.00 1.31 H new ATOM 1732 N LYS A 107 15.934 -11.154 -0.620 1.00 0.36 N ATOM 1733 CA LYS A 107 15.812 -10.468 -1.890 1.00 0.37 C ATOM 1734 C LYS A 107 14.810 -9.328 -1.799 1.00 0.32 C ATOM 1735 O LYS A 107 13.629 -9.536 -1.506 1.00 0.39 O ATOM 1736 CB LYS A 107 15.404 -11.449 -2.994 1.00 0.47 C ATOM 1737 CG LYS A 107 15.196 -10.798 -4.357 1.00 0.65 C ATOM 1738 CD LYS A 107 16.399 -9.970 -4.773 1.00 0.95 C ATOM 1739 CE LYS A 107 16.215 -9.361 -6.153 1.00 1.57 C ATOM 1740 NZ LYS A 107 16.160 -10.396 -7.217 1.00 2.27 N ATOM 0 H LYS A 107 15.207 -11.846 -0.439 1.00 0.36 H new ATOM 0 HA LYS A 107 16.786 -10.047 -2.140 1.00 0.37 H new ATOM 0 HB2 LYS A 107 16.171 -12.218 -3.084 1.00 0.47 H new ATOM 0 HB3 LYS A 107 14.483 -11.950 -2.698 1.00 0.47 H new ATOM 0 HG2 LYS A 107 15.009 -11.569 -5.104 1.00 0.65 H new ATOM 0 HG3 LYS A 107 14.310 -10.163 -4.326 1.00 0.65 H new ATOM 0 HD2 LYS A 107 16.563 -9.176 -4.044 1.00 0.95 H new ATOM 0 HD3 LYS A 107 17.291 -10.597 -4.768 1.00 0.95 H new ATOM 0 HE2 LYS A 107 15.296 -8.774 -6.170 1.00 1.57 H new ATOM 0 HE3 LYS A 107 17.036 -8.674 -6.358 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 16.239 -9.941 -8.149 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 16.946 -11.065 -7.091 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 15.257 -10.908 -7.157 1.00 2.27 H new ATOM 1754 N VAL A 108 15.296 -8.122 -2.035 1.00 0.24 N ATOM 1755 CA VAL A 108 14.437 -6.960 -2.128 1.00 0.22 C ATOM 1756 C VAL A 108 13.943 -6.796 -3.565 1.00 0.23 C ATOM 1757 O VAL A 108 14.722 -6.877 -4.518 1.00 0.30 O ATOM 1758 CB VAL A 108 15.149 -5.672 -1.654 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.541 -5.562 -2.248 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.314 -4.451 -2.001 1.00 0.79 C ATOM 0 H VAL A 108 16.288 -7.924 -2.166 1.00 0.24 H new ATOM 0 HA VAL A 108 13.587 -7.120 -1.465 1.00 0.22 H new ATOM 0 HB VAL A 108 15.257 -5.722 -0.571 1.00 0.26 H new ATOM 0 HG11 VAL A 108 17.016 -4.646 -1.896 1.00 0.74 H new ATOM 0 HG12 VAL A 108 17.137 -6.421 -1.940 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.472 -5.540 -3.336 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.827 -3.551 -1.662 1.00 0.79 H new ATOM 0 HG22 VAL A 108 14.172 -4.402 -3.081 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.343 -4.522 -1.510 1.00 0.79 H new ATOM 1770 N MET A 109 12.648 -6.586 -3.711 1.00 0.22 N ATOM 1771 CA MET A 109 12.020 -6.495 -5.017 1.00 0.27 C ATOM 1772 C MET A 109 11.119 -5.269 -5.086 1.00 0.24 C ATOM 1773 O MET A 109 10.241 -5.101 -4.242 1.00 0.25 O ATOM 1774 CB MET A 109 11.175 -7.740 -5.282 1.00 0.36 C ATOM 1775 CG MET A 109 11.944 -9.048 -5.246 1.00 0.44 C ATOM 1776 SD MET A 109 10.860 -10.472 -5.469 1.00 1.47 S ATOM 1777 CE MET A 109 12.015 -11.832 -5.312 1.00 1.85 C ATOM 0 H MET A 109 12.002 -6.474 -2.929 1.00 0.22 H new ATOM 0 HA MET A 109 12.806 -6.415 -5.768 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.375 -7.784 -4.543 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.701 -7.640 -6.258 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.704 -9.044 -6.028 1.00 0.44 H new ATOM 0 HG3 MET A 109 12.467 -9.136 -4.294 1.00 0.44 H new ATOM 0 HE1 MET A 109 11.483 -12.776 -5.428 1.00 1.85 H new ATOM 0 HE2 MET A 109 12.781 -11.750 -6.083 1.00 1.85 H new ATOM 0 HE3 MET A 109 12.485 -11.799 -4.329 1.00 1.85 H new ATOM 1787 N PRO A 110 11.318 -4.396 -6.079 1.00 0.24 N ATOM 1788 CA PRO A 110 10.471 -3.219 -6.270 1.00 0.23 C ATOM 1789 C PRO A 110 9.100 -3.582 -6.839 1.00 0.21 C ATOM 1790 O PRO A 110 8.943 -4.606 -7.511 1.00 0.20 O ATOM 1791 CB PRO A 110 11.266 -2.383 -7.266 1.00 0.27 C ATOM 1792 CG PRO A 110 12.027 -3.378 -8.056 1.00 0.29 C ATOM 1793 CD PRO A 110 12.385 -4.473 -7.093 1.00 0.28 C ATOM 0 HA PRO A 110 10.258 -2.703 -5.334 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.608 -1.790 -7.901 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.932 -1.686 -6.758 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.429 -3.763 -8.882 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.921 -2.932 -8.491 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.406 -5.447 -7.582 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.370 -4.316 -6.653 1.00 0.28 H new ATOM 1801 N LEU A 111 8.113 -2.739 -6.564 1.00 0.23 N ATOM 1802 CA LEU A 111 6.756 -2.958 -7.046 1.00 0.22 C ATOM 1803 C LEU A 111 6.632 -2.425 -8.465 1.00 0.22 C ATOM 1804 O LEU A 111 7.159 -1.358 -8.787 1.00 0.26 O ATOM 1805 CB LEU A 111 5.744 -2.235 -6.145 1.00 0.27 C ATOM 1806 CG LEU A 111 4.449 -2.990 -5.813 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.922 -3.794 -6.997 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.669 -3.881 -4.610 1.00 0.31 C ATOM 0 H LEU A 111 8.228 -1.893 -6.006 1.00 0.23 H new ATOM 0 HA LEU A 111 6.546 -4.027 -7.029 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.241 -1.985 -5.208 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.475 -1.293 -6.624 1.00 0.27 H new ATOM 0 HG LEU A 111 3.685 -2.249 -5.578 1.00 0.27 H new ATOM 0 HD11 LEU A 111 3.005 -4.308 -6.708 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.714 -3.122 -7.830 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.669 -4.527 -7.300 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.747 -4.414 -4.379 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.459 -4.600 -4.829 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.960 -3.272 -3.754 1.00 0.31 H new ATOM 1820 N ASN A 112 5.935 -3.165 -9.304 1.00 0.22 N ATOM 1821 CA ASN A 112 5.756 -2.775 -10.691 1.00 0.25 C ATOM 1822 C ASN A 112 4.394 -2.124 -10.886 1.00 0.23 C ATOM 1823 O ASN A 112 3.403 -2.531 -10.273 1.00 0.22 O ATOM 1824 CB ASN A 112 5.921 -3.987 -11.612 1.00 0.29 C ATOM 1825 CG ASN A 112 7.335 -4.554 -11.591 1.00 1.06 C ATOM 1826 OD1 ASN A 112 8.328 -3.698 -11.381 1.00 1.85 O flip ATOM 1827 ND2 ASN A 112 7.536 -5.755 -11.770 1.00 1.69 N flip ATOM 0 H ASN A 112 5.482 -4.043 -9.050 1.00 0.22 H new ATOM 0 HA ASN A 112 6.522 -2.045 -10.952 1.00 0.25 H new ATOM 0 HB2 ASN A 112 5.218 -4.764 -11.312 1.00 0.29 H new ATOM 0 HB3 ASN A 112 5.664 -3.701 -12.632 1.00 0.29 H new ATOM 0 HD21 ASN A 112 6.750 -6.386 -11.929 1.00 1.69 H new ATOM 0 HD22 ASN A 112 8.488 -6.120 -11.760 1.00 1.69 H new ATOM 1834 N THR A 113 4.365 -1.102 -11.731 1.00 0.29 N ATOM 1835 CA THR A 113 3.170 -0.303 -11.963 1.00 0.31 C ATOM 1836 C THR A 113 1.990 -1.151 -12.446 1.00 0.28 C ATOM 1837 O THR A 113 2.065 -1.800 -13.491 1.00 0.32 O ATOM 1838 CB THR A 113 3.454 0.787 -13.007 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.585 1.573 -12.600 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.242 1.681 -13.184 1.00 0.45 C ATOM 0 H THR A 113 5.173 -0.803 -12.277 1.00 0.29 H new ATOM 0 HA THR A 113 2.901 0.146 -11.007 1.00 0.31 H new ATOM 0 HB THR A 113 3.675 0.306 -13.960 1.00 0.41 H new ATOM 0 HG1 THR A 113 4.359 2.525 -12.657 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.461 2.448 -13.927 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.394 1.083 -13.518 1.00 0.45 H new ATOM 0 HG23 THR A 113 1.998 2.156 -12.234 1.00 0.45 H new ATOM 1848 N GLY A 114 0.908 -1.126 -11.675 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.317 -1.810 -12.047 1.00 0.27 C ATOM 1850 C GLY A 114 -0.163 -3.312 -12.147 1.00 0.28 C ATOM 1851 O GLY A 114 -0.797 -3.952 -12.985 1.00 0.38 O ATOM 0 H GLY A 114 0.859 -0.634 -10.783 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -1.089 -1.580 -11.313 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.663 -1.424 -13.006 1.00 0.27 H new ATOM 1855 N GLU A 115 0.678 -3.875 -11.300 1.00 0.26 N ATOM 1856 CA GLU A 115 0.867 -5.312 -11.267 1.00 0.27 C ATOM 1857 C GLU A 115 0.624 -5.838 -9.866 1.00 0.24 C ATOM 1858 O GLU A 115 1.168 -5.308 -8.901 1.00 0.23 O ATOM 1859 CB GLU A 115 2.282 -5.674 -11.710 1.00 0.30 C ATOM 1860 CG GLU A 115 2.518 -7.172 -11.796 1.00 0.38 C ATOM 1861 CD GLU A 115 3.883 -7.516 -12.339 1.00 1.07 C ATOM 1862 OE1 GLU A 115 4.704 -8.084 -11.588 1.00 1.93 O ATOM 1863 OE2 GLU A 115 4.142 -7.223 -13.526 1.00 1.19 O ATOM 0 H GLU A 115 1.242 -3.358 -10.625 1.00 0.26 H new ATOM 0 HA GLU A 115 0.153 -5.769 -11.952 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.476 -5.226 -12.684 1.00 0.30 H new ATOM 0 HB3 GLU A 115 2.997 -5.240 -11.011 1.00 0.30 H new ATOM 0 HG2 GLU A 115 2.405 -7.611 -10.805 1.00 0.38 H new ATOM 0 HG3 GLU A 115 1.755 -7.620 -12.432 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.230 -6.856 -9.730 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.401 -7.560 -8.466 1.00 0.26 C ATOM 1872 C PRO A 116 0.871 -8.306 -8.094 1.00 0.23 C ATOM 1873 O PRO A 116 1.251 -9.286 -8.740 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.555 -8.532 -8.737 1.00 0.33 C ATOM 1875 CG PRO A 116 -2.208 -8.021 -9.977 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.111 -7.387 -10.775 1.00 0.34 C ATOM 0 HA PRO A 116 -0.611 -6.891 -7.632 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.190 -9.550 -8.874 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.256 -8.555 -7.903 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -2.681 -8.830 -10.534 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -2.989 -7.298 -9.740 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.599 -8.111 -11.409 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.487 -6.600 -11.429 1.00 0.34 H new ATOM 1884 N PHE A 117 1.515 -7.832 -7.048 1.00 0.20 N ATOM 1885 CA PHE A 117 2.808 -8.348 -6.635 1.00 0.21 C ATOM 1886 C PHE A 117 2.683 -8.994 -5.263 1.00 0.21 C ATOM 1887 O PHE A 117 2.020 -8.456 -4.377 1.00 0.19 O ATOM 1888 CB PHE A 117 3.821 -7.197 -6.619 1.00 0.23 C ATOM 1889 CG PHE A 117 5.267 -7.614 -6.626 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.217 -6.864 -5.952 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.679 -8.744 -7.312 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.547 -7.233 -5.962 1.00 0.35 C ATOM 1893 CE2 PHE A 117 7.007 -9.119 -7.324 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.942 -8.364 -6.649 1.00 0.41 C ATOM 0 H PHE A 117 1.159 -7.079 -6.459 1.00 0.20 H new ATOM 0 HA PHE A 117 3.156 -9.108 -7.335 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.639 -6.562 -7.486 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.640 -6.587 -5.734 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.913 -5.979 -5.412 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.952 -9.339 -7.844 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.277 -6.638 -5.434 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.314 -10.004 -7.862 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.982 -8.656 -6.657 1.00 0.41 H new ATOM 1904 N VAL A 118 3.305 -10.155 -5.104 1.00 0.25 N ATOM 1905 CA VAL A 118 3.158 -10.955 -3.890 1.00 0.28 C ATOM 1906 C VAL A 118 3.553 -10.183 -2.632 1.00 0.26 C ATOM 1907 O VAL A 118 4.698 -9.751 -2.480 1.00 0.29 O ATOM 1908 CB VAL A 118 3.962 -12.272 -3.978 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.408 -12.008 -4.363 1.00 0.65 C ATOM 1910 CG2 VAL A 118 3.889 -13.036 -2.665 1.00 0.71 C ATOM 0 H VAL A 118 3.921 -10.568 -5.805 1.00 0.25 H new ATOM 0 HA VAL A 118 2.098 -11.197 -3.812 1.00 0.28 H new ATOM 0 HB VAL A 118 3.513 -12.885 -4.759 1.00 0.35 H new ATOM 0 HG11 VAL A 118 5.948 -12.953 -4.417 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.442 -11.515 -5.334 1.00 0.65 H new ATOM 0 HG13 VAL A 118 5.873 -11.367 -3.614 1.00 0.65 H new ATOM 0 HG21 VAL A 118 4.462 -13.960 -2.749 1.00 0.71 H new ATOM 0 HG22 VAL A 118 4.304 -12.424 -1.864 1.00 0.71 H new ATOM 0 HG23 VAL A 118 2.849 -13.273 -2.439 1.00 0.71 H new ATOM 1920 N VAL A 119 2.578 -10.005 -1.744 1.00 0.23 N ATOM 1921 CA VAL A 119 2.787 -9.311 -0.479 1.00 0.22 C ATOM 1922 C VAL A 119 2.448 -10.228 0.701 1.00 0.23 C ATOM 1923 O VAL A 119 2.867 -9.994 1.836 1.00 0.23 O ATOM 1924 CB VAL A 119 1.914 -8.036 -0.409 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.441 -8.378 -0.534 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.171 -7.270 0.878 1.00 0.22 C ATOM 0 H VAL A 119 1.624 -10.337 -1.882 1.00 0.23 H new ATOM 0 HA VAL A 119 3.838 -9.028 -0.420 1.00 0.22 H new ATOM 0 HB VAL A 119 2.191 -7.399 -1.249 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.150 -7.464 -0.482 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.262 -8.872 -1.489 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.152 -9.044 0.279 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.545 -6.378 0.902 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.933 -7.904 1.732 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.220 -6.978 0.924 1.00 0.22 H new ATOM 1936 N GLN A 120 1.710 -11.289 0.405 1.00 0.27 N ATOM 1937 CA GLN A 120 1.181 -12.185 1.428 1.00 0.33 C ATOM 1938 C GLN A 120 2.269 -12.773 2.327 1.00 0.45 C ATOM 1939 O GLN A 120 2.115 -12.808 3.548 1.00 1.35 O ATOM 1940 CB GLN A 120 0.378 -13.312 0.771 1.00 0.32 C ATOM 1941 CG GLN A 120 1.079 -13.953 -0.413 1.00 0.37 C ATOM 1942 CD GLN A 120 0.265 -15.056 -1.058 1.00 0.45 C ATOM 1943 OE1 GLN A 120 -0.965 -15.033 -1.042 1.00 1.23 O ATOM 1944 NE2 GLN A 120 0.951 -16.022 -1.641 1.00 1.21 N ATOM 0 H GLN A 120 1.461 -11.554 -0.548 1.00 0.27 H new ATOM 0 HA GLN A 120 0.532 -11.587 2.068 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.169 -14.079 1.517 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.583 -12.917 0.442 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.297 -13.187 -1.157 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.036 -14.360 -0.085 1.00 0.37 H new ATOM 0 HE21 GLN A 120 1.971 -16.001 -1.630 1.00 1.21 H new ATOM 0 HE22 GLN A 120 0.461 -16.789 -2.102 1.00 1.21 H new ATOM 1953 N ASP A 121 3.364 -13.221 1.732 1.00 0.72 N ATOM 1954 CA ASP A 121 4.408 -13.905 2.485 1.00 0.76 C ATOM 1955 C ASP A 121 5.731 -13.155 2.421 1.00 0.65 C ATOM 1956 O ASP A 121 6.799 -13.758 2.308 1.00 0.96 O ATOM 1957 CB ASP A 121 4.578 -15.343 1.977 1.00 0.96 C ATOM 1958 CG ASP A 121 4.870 -15.432 0.487 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.055 -15.374 0.094 1.00 1.55 O ATOM 1960 OD2 ASP A 121 3.907 -15.586 -0.298 1.00 2.35 O ATOM 0 H ASP A 121 3.554 -13.125 0.734 1.00 0.72 H new ATOM 0 HA ASP A 121 4.098 -13.934 3.530 1.00 0.76 H new ATOM 0 HB2 ASP A 121 5.389 -15.820 2.527 1.00 0.96 H new ATOM 0 HB3 ASP A 121 3.671 -15.906 2.195 1.00 0.96 H new ATOM 1965 N ILE A 122 5.671 -11.837 2.517 1.00 0.37 N ATOM 1966 CA ILE A 122 6.883 -11.036 2.482 1.00 0.29 C ATOM 1967 C ILE A 122 7.487 -10.894 3.874 1.00 0.24 C ATOM 1968 O ILE A 122 6.961 -11.426 4.852 1.00 0.32 O ATOM 1969 CB ILE A 122 6.645 -9.632 1.877 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.790 -8.764 2.811 1.00 0.26 C ATOM 1971 CG2 ILE A 122 5.976 -9.769 0.521 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.655 -7.323 2.355 1.00 0.31 C ATOM 0 H ILE A 122 4.807 -11.304 2.619 1.00 0.37 H new ATOM 0 HA ILE A 122 7.582 -11.567 1.836 1.00 0.29 H new ATOM 0 HB ILE A 122 7.609 -9.138 1.756 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.796 -9.204 2.892 1.00 0.26 H new ATOM 0 HG13 ILE A 122 6.228 -8.780 3.809 1.00 0.26 H new ATOM 0 HG21 ILE A 122 5.809 -8.779 0.096 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.618 -10.346 -0.145 1.00 0.36 H new ATOM 0 HG23 ILE A 122 5.020 -10.280 0.637 1.00 0.36 H new ATOM 0 HD11 ILE A 122 5.037 -6.773 3.065 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.642 -6.864 2.301 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.188 -7.295 1.370 1.00 0.31 H new ATOM 1984 N ASP A 123 8.605 -10.200 3.946 1.00 0.23 N ATOM 1985 CA ASP A 123 9.254 -9.915 5.213 1.00 0.25 C ATOM 1986 C ASP A 123 8.977 -8.487 5.626 1.00 0.25 C ATOM 1987 O ASP A 123 8.675 -8.206 6.785 1.00 0.29 O ATOM 1988 CB ASP A 123 10.762 -10.138 5.104 1.00 0.26 C ATOM 1989 CG ASP A 123 11.123 -11.608 5.061 1.00 0.32 C ATOM 1990 OD1 ASP A 123 10.965 -12.230 3.994 1.00 0.30 O ATOM 1991 OD2 ASP A 123 11.565 -12.154 6.097 1.00 0.50 O ATOM 0 H ASP A 123 9.089 -9.819 3.133 1.00 0.23 H new ATOM 0 HA ASP A 123 8.853 -10.592 5.967 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.136 -9.648 4.205 1.00 0.26 H new ATOM 0 HB3 ASP A 123 11.259 -9.669 5.953 1.00 0.26 H new ATOM 1996 N ALA A 124 9.076 -7.583 4.669 1.00 0.21 N ATOM 1997 CA ALA A 124 8.830 -6.180 4.928 1.00 0.21 C ATOM 1998 C ALA A 124 8.485 -5.444 3.643 1.00 0.19 C ATOM 1999 O ALA A 124 8.774 -5.920 2.548 1.00 0.19 O ATOM 2000 CB ALA A 124 10.054 -5.554 5.582 1.00 0.22 C ATOM 0 H ALA A 124 9.326 -7.798 3.704 1.00 0.21 H new ATOM 0 HA ALA A 124 7.980 -6.096 5.605 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.864 -4.498 5.775 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.264 -6.063 6.523 1.00 0.22 H new ATOM 0 HB3 ALA A 124 10.912 -5.652 4.917 1.00 0.22 H new ATOM 2006 N MET A 125 7.839 -4.301 3.788 1.00 0.19 N ATOM 2007 CA MET A 125 7.608 -3.400 2.668 1.00 0.16 C ATOM 2008 C MET A 125 7.982 -1.967 3.066 1.00 0.16 C ATOM 2009 O MET A 125 7.952 -1.617 4.246 1.00 0.18 O ATOM 2010 CB MET A 125 6.150 -3.443 2.162 1.00 0.24 C ATOM 2011 CG MET A 125 5.813 -2.165 1.403 1.00 0.31 C ATOM 2012 SD MET A 125 4.403 -2.166 0.319 1.00 1.16 S ATOM 2013 CE MET A 125 4.405 -0.419 -0.077 1.00 0.73 C ATOM 0 H MET A 125 7.462 -3.971 4.676 1.00 0.19 H new ATOM 0 HA MET A 125 8.242 -3.737 1.848 1.00 0.16 H new ATOM 0 HB2 MET A 125 6.009 -4.307 1.513 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.469 -3.563 3.005 1.00 0.24 H new ATOM 0 HG2 MET A 125 5.666 -1.373 2.137 1.00 0.31 H new ATOM 0 HG3 MET A 125 6.686 -1.892 0.810 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.459 -0.151 -0.547 1.00 0.73 H new ATOM 0 HE2 MET A 125 4.533 0.161 0.837 1.00 0.73 H new ATOM 0 HE3 MET A 125 5.224 -0.202 -0.762 1.00 0.73 H new ATOM 2023 N SER A 126 8.358 -1.149 2.089 1.00 0.16 N ATOM 2024 CA SER A 126 8.639 0.256 2.334 1.00 0.18 C ATOM 2025 C SER A 126 8.113 1.113 1.201 1.00 0.22 C ATOM 2026 O SER A 126 7.757 0.606 0.132 1.00 0.29 O ATOM 2027 CB SER A 126 10.136 0.479 2.461 1.00 0.24 C ATOM 2028 OG SER A 126 10.781 0.097 1.263 1.00 1.22 O ATOM 0 H SER A 126 8.475 -1.438 1.118 1.00 0.16 H new ATOM 0 HA SER A 126 8.143 0.539 3.262 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.340 1.528 2.676 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.529 -0.100 3.297 1.00 0.24 H new ATOM 0 HG SER A 126 10.966 -0.865 1.283 1.00 1.22 H new ATOM 2034 N VAL A 127 8.052 2.409 1.446 1.00 0.21 N ATOM 2035 CA VAL A 127 7.714 3.361 0.410 1.00 0.23 C ATOM 2036 C VAL A 127 8.789 4.439 0.359 1.00 0.22 C ATOM 2037 O VAL A 127 8.875 5.274 1.259 1.00 0.19 O ATOM 2038 CB VAL A 127 6.350 4.027 0.687 1.00 0.23 C ATOM 2039 CG1 VAL A 127 5.787 4.638 -0.584 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.369 3.034 1.303 1.00 0.26 C ATOM 0 H VAL A 127 8.234 2.826 2.359 1.00 0.21 H new ATOM 0 HA VAL A 127 7.653 2.830 -0.540 1.00 0.23 H new ATOM 0 HB VAL A 127 6.503 4.829 1.409 1.00 0.23 H new ATOM 0 HG11 VAL A 127 4.825 5.103 -0.369 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.478 5.392 -0.962 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.654 3.859 -1.334 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.416 3.531 1.488 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.217 2.200 0.618 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.772 2.661 2.244 1.00 0.26 H new ATOM 2050 N LEU A 128 9.616 4.416 -0.681 1.00 0.28 N ATOM 2051 CA LEU A 128 10.663 5.421 -0.830 1.00 0.32 C ATOM 2052 C LEU A 128 10.257 6.407 -1.923 1.00 0.33 C ATOM 2053 O LEU A 128 9.723 6.003 -2.955 1.00 0.38 O ATOM 2054 CB LEU A 128 12.028 4.820 -1.221 1.00 0.43 C ATOM 2055 CG LEU A 128 12.663 3.721 -0.335 1.00 0.21 C ATOM 2056 CD1 LEU A 128 12.059 3.627 1.060 1.00 0.34 C ATOM 2057 CD2 LEU A 128 12.604 2.375 -1.031 1.00 0.42 C ATOM 0 H LEU A 128 9.583 3.720 -1.426 1.00 0.28 H new ATOM 0 HA LEU A 128 10.773 5.905 0.140 1.00 0.32 H new ATOM 0 HB2 LEU A 128 11.928 4.411 -2.226 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.741 5.642 -1.281 1.00 0.43 H new ATOM 0 HG LEU A 128 13.703 4.015 -0.193 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.556 2.835 1.619 1.00 0.34 H new ATOM 0 HD12 LEU A 128 12.192 4.576 1.579 1.00 0.34 H new ATOM 0 HD13 LEU A 128 10.995 3.403 0.982 1.00 0.34 H new ATOM 0 HD21 LEU A 128 13.055 1.615 -0.393 1.00 0.42 H new ATOM 0 HD22 LEU A 128 11.565 2.113 -1.228 1.00 0.42 H new ATOM 0 HD23 LEU A 128 13.150 2.428 -1.973 1.00 0.42 H new ATOM 2069 N PRO A 129 10.472 7.709 -1.713 1.00 0.35 N ATOM 2070 CA PRO A 129 10.201 8.710 -2.735 1.00 0.40 C ATOM 2071 C PRO A 129 11.356 8.888 -3.715 1.00 0.56 C ATOM 2072 O PRO A 129 12.443 9.297 -3.321 1.00 0.91 O ATOM 2073 CB PRO A 129 10.018 9.977 -1.918 1.00 0.47 C ATOM 2074 CG PRO A 129 10.909 9.793 -0.732 1.00 0.52 C ATOM 2075 CD PRO A 129 10.987 8.305 -0.474 1.00 0.41 C ATOM 0 HA PRO A 129 9.347 8.437 -3.355 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.298 10.862 -2.490 1.00 0.47 H new ATOM 0 HB3 PRO A 129 8.979 10.108 -1.617 1.00 0.47 H new ATOM 0 HG2 PRO A 129 11.900 10.205 -0.925 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.510 10.316 0.137 1.00 0.52 H new ATOM 0 HD2 PRO A 129 12.010 7.987 -0.272 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.387 8.016 0.389 1.00 0.41 H new ATOM 2083 N LYS A 130 11.061 8.634 -4.991 1.00 0.43 N ATOM 2084 CA LYS A 130 11.981 8.836 -6.130 1.00 0.53 C ATOM 2085 C LYS A 130 13.368 8.207 -5.953 1.00 0.47 C ATOM 2086 O LYS A 130 13.720 7.290 -6.696 1.00 0.81 O ATOM 2087 CB LYS A 130 12.079 10.320 -6.450 1.00 0.74 C ATOM 2088 CG LYS A 130 10.746 10.961 -6.823 1.00 0.83 C ATOM 2089 CD LYS A 130 10.075 10.286 -8.021 1.00 1.76 C ATOM 2090 CE LYS A 130 9.215 9.088 -7.612 1.00 2.10 C ATOM 2091 NZ LYS A 130 8.477 8.514 -8.766 1.00 3.29 N ATOM 0 H LYS A 130 10.151 8.272 -5.277 1.00 0.43 H new ATOM 0 HA LYS A 130 11.548 8.300 -6.975 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.493 10.841 -5.587 1.00 0.74 H new ATOM 0 HB3 LYS A 130 12.781 10.459 -7.273 1.00 0.74 H new ATOM 0 HG2 LYS A 130 10.075 10.917 -5.965 1.00 0.83 H new ATOM 0 HG3 LYS A 130 10.906 12.015 -7.049 1.00 0.83 H new ATOM 0 HD2 LYS A 130 9.454 11.014 -8.543 1.00 1.76 H new ATOM 0 HD3 LYS A 130 10.840 9.957 -8.724 1.00 1.76 H new ATOM 0 HE2 LYS A 130 9.850 8.320 -7.169 1.00 2.10 H new ATOM 0 HE3 LYS A 130 8.505 9.396 -6.845 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 7.782 7.820 -8.423 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 7.984 9.275 -9.276 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 9.147 8.045 -9.408 1.00 3.29 H new ATOM 2105 N GLY A 131 14.157 8.702 -5.008 1.00 0.43 N ATOM 2106 CA GLY A 131 15.429 8.081 -4.689 1.00 0.39 C ATOM 2107 C GLY A 131 15.226 6.771 -3.952 1.00 0.33 C ATOM 2108 O GLY A 131 15.764 6.556 -2.864 1.00 0.44 O ATOM 0 H GLY A 131 13.937 9.529 -4.453 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.991 7.903 -5.606 1.00 0.39 H new ATOM 0 HA3 GLY A 131 16.025 8.758 -4.077 1.00 0.39 H new ATOM 2112 N SER A 132 14.444 5.899 -4.567 1.00 0.31 N ATOM 2113 CA SER A 132 14.062 4.622 -3.999 1.00 0.36 C ATOM 2114 C SER A 132 15.242 3.659 -3.976 1.00 0.39 C ATOM 2115 O SER A 132 15.151 2.554 -3.438 1.00 0.44 O ATOM 2116 CB SER A 132 12.907 4.051 -4.813 1.00 0.49 C ATOM 2117 OG SER A 132 11.915 5.045 -5.014 1.00 1.23 O ATOM 0 H SER A 132 14.051 6.065 -5.493 1.00 0.31 H new ATOM 0 HA SER A 132 13.744 4.764 -2.966 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.272 3.691 -5.775 1.00 0.49 H new ATOM 0 HB3 SER A 132 12.475 3.195 -4.295 1.00 0.49 H new ATOM 0 HG SER A 132 11.321 5.077 -4.235 1.00 1.23 H new ATOM 2123 N SER A 133 16.347 4.092 -4.569 1.00 0.40 N ATOM 2124 CA SER A 133 17.567 3.304 -4.610 1.00 0.48 C ATOM 2125 C SER A 133 18.124 3.043 -3.205 1.00 0.45 C ATOM 2126 O SER A 133 19.111 2.324 -3.052 1.00 0.51 O ATOM 2127 CB SER A 133 18.603 4.008 -5.482 1.00 0.58 C ATOM 2128 OG SER A 133 18.031 4.379 -6.726 1.00 1.30 O ATOM 0 H SER A 133 16.421 4.997 -5.033 1.00 0.40 H new ATOM 0 HA SER A 133 17.331 2.333 -5.045 1.00 0.48 H new ATOM 0 HB2 SER A 133 18.979 4.893 -4.969 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.456 3.350 -5.648 1.00 0.58 H new ATOM 0 HG SER A 133 18.706 4.831 -7.275 1.00 1.30 H new ATOM 2134 N SER A 134 17.489 3.633 -2.188 1.00 0.40 N ATOM 2135 CA SER A 134 17.771 3.300 -0.796 1.00 0.39 C ATOM 2136 C SER A 134 17.735 1.792 -0.603 1.00 0.34 C ATOM 2137 O SER A 134 18.631 1.202 0.004 1.00 0.39 O ATOM 2138 CB SER A 134 16.723 3.941 0.119 1.00 0.39 C ATOM 2139 OG SER A 134 16.688 5.350 -0.035 1.00 0.44 O ATOM 0 H SER A 134 16.772 4.348 -2.308 1.00 0.40 H new ATOM 0 HA SER A 134 18.761 3.679 -0.543 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.741 3.525 -0.105 1.00 0.39 H new ATOM 0 HB3 SER A 134 16.945 3.693 1.157 1.00 0.39 H new ATOM 0 HG SER A 134 16.303 5.757 0.769 1.00 0.44 H new ATOM 2145 N LEU A 135 16.697 1.183 -1.148 1.00 0.28 N ATOM 2146 CA LEU A 135 16.445 -0.228 -0.965 1.00 0.26 C ATOM 2147 C LEU A 135 16.522 -0.988 -2.287 1.00 0.28 C ATOM 2148 O LEU A 135 15.976 -2.073 -2.422 1.00 0.37 O ATOM 2149 CB LEU A 135 15.072 -0.375 -0.307 1.00 0.24 C ATOM 2150 CG LEU A 135 14.993 0.223 1.105 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.626 0.013 1.701 1.00 0.25 C ATOM 2152 CD2 LEU A 135 16.051 -0.388 1.993 1.00 0.29 C ATOM 0 H LEU A 135 16.006 1.657 -1.730 1.00 0.28 H new ATOM 0 HA LEU A 135 17.212 -0.664 -0.324 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.324 0.106 -0.937 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.815 -1.433 -0.258 1.00 0.24 H new ATOM 0 HG LEU A 135 15.172 1.296 1.031 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.595 0.445 2.701 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.877 0.496 1.073 1.00 0.25 H new ATOM 0 HD13 LEU A 135 13.415 -1.055 1.760 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.983 0.045 2.991 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.897 -1.465 2.054 1.00 0.29 H new ATOM 0 HD23 LEU A 135 17.037 -0.186 1.576 1.00 0.29 H new ATOM 2164 N LYS A 136 17.215 -0.418 -3.262 1.00 0.30 N ATOM 2165 CA LYS A 136 17.342 -1.045 -4.569 1.00 0.35 C ATOM 2166 C LYS A 136 18.711 -1.703 -4.717 1.00 0.37 C ATOM 2167 O LYS A 136 19.634 -1.121 -5.291 1.00 0.42 O ATOM 2168 CB LYS A 136 17.129 -0.005 -5.670 1.00 0.40 C ATOM 2169 CG LYS A 136 17.115 -0.585 -7.072 1.00 0.46 C ATOM 2170 CD LYS A 136 16.623 0.426 -8.097 1.00 0.57 C ATOM 2171 CE LYS A 136 17.559 1.617 -8.225 1.00 0.98 C ATOM 2172 NZ LYS A 136 17.004 2.663 -9.126 1.00 1.66 N ATOM 0 H LYS A 136 17.697 0.476 -3.173 1.00 0.30 H new ATOM 0 HA LYS A 136 16.579 -1.818 -4.662 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.185 0.510 -5.491 1.00 0.40 H new ATOM 0 HB3 LYS A 136 17.918 0.744 -5.606 1.00 0.40 H new ATOM 0 HG2 LYS A 136 18.119 -0.914 -7.339 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.474 -1.466 -7.094 1.00 0.46 H new ATOM 0 HD2 LYS A 136 16.524 -0.062 -9.067 1.00 0.57 H new ATOM 0 HD3 LYS A 136 15.630 0.775 -7.813 1.00 0.57 H new ATOM 0 HE2 LYS A 136 17.739 2.045 -7.239 1.00 0.98 H new ATOM 0 HE3 LYS A 136 18.523 1.282 -8.608 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 17.143 3.600 -8.697 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 17.493 2.626 -10.043 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 15.988 2.495 -9.268 1.00 1.66 H new ATOM 2186 N VAL A 137 18.844 -2.909 -4.180 1.00 0.37 N ATOM 2187 CA VAL A 137 20.100 -3.632 -4.242 1.00 0.42 C ATOM 2188 C VAL A 137 19.829 -5.117 -4.517 1.00 0.46 C ATOM 2189 O VAL A 137 18.675 -5.546 -4.490 1.00 0.51 O ATOM 2190 CB VAL A 137 20.900 -3.418 -2.930 1.00 0.41 C ATOM 2191 CG1 VAL A 137 20.081 -3.851 -1.732 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.247 -4.122 -2.946 1.00 0.51 C ATOM 0 H VAL A 137 18.095 -3.404 -3.697 1.00 0.37 H new ATOM 0 HA VAL A 137 20.709 -3.249 -5.061 1.00 0.42 H new ATOM 0 HB VAL A 137 21.105 -2.350 -2.852 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.658 -3.694 -0.821 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.164 -3.264 -1.687 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.831 -4.908 -1.825 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.764 -3.939 -2.004 1.00 0.51 H new ATOM 0 HG22 VAL A 137 22.096 -5.194 -3.075 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.848 -3.739 -3.771 1.00 0.51 H new ATOM 2202 N LYS A 138 20.867 -5.880 -4.818 1.00 0.50 N ATOM 2203 CA LYS A 138 20.726 -7.294 -5.151 1.00 0.57 C ATOM 2204 C LYS A 138 20.084 -8.070 -4.006 1.00 0.47 C ATOM 2205 O LYS A 138 19.147 -8.836 -4.210 1.00 0.53 O ATOM 2206 CB LYS A 138 22.100 -7.867 -5.481 1.00 0.69 C ATOM 2207 CG LYS A 138 22.832 -7.033 -6.512 1.00 1.22 C ATOM 2208 CD LYS A 138 24.301 -6.884 -6.173 1.00 1.34 C ATOM 2209 CE LYS A 138 24.912 -5.724 -6.935 1.00 1.59 C ATOM 2210 NZ LYS A 138 26.355 -5.553 -6.634 1.00 2.06 N ATOM 0 H LYS A 138 21.829 -5.541 -4.839 1.00 0.50 H new ATOM 0 HA LYS A 138 20.071 -7.390 -6.017 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.697 -7.923 -4.571 1.00 0.69 H new ATOM 0 HB3 LYS A 138 21.988 -8.886 -5.852 1.00 0.69 H new ATOM 0 HG2 LYS A 138 22.730 -7.496 -7.493 1.00 1.22 H new ATOM 0 HG3 LYS A 138 22.372 -6.047 -6.576 1.00 1.22 H new ATOM 0 HD2 LYS A 138 24.417 -6.723 -5.101 1.00 1.34 H new ATOM 0 HD3 LYS A 138 24.831 -7.805 -6.417 1.00 1.34 H new ATOM 0 HE2 LYS A 138 24.783 -5.886 -8.005 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.379 -4.807 -6.685 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 26.730 -4.749 -7.177 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 26.478 -5.372 -5.617 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 26.869 -6.418 -6.897 1.00 2.06 H new ATOM 2224 N THR A 139 20.572 -7.839 -2.799 1.00 0.37 N ATOM 2225 CA THR A 139 20.056 -8.528 -1.626 1.00 0.29 C ATOM 2226 C THR A 139 20.036 -7.604 -0.420 1.00 0.25 C ATOM 2227 O THR A 139 20.904 -6.742 -0.267 1.00 0.28 O ATOM 2228 CB THR A 139 20.861 -9.800 -1.299 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.160 -9.744 -1.911 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.119 -11.042 -1.767 1.00 0.39 C ATOM 0 H THR A 139 21.325 -7.179 -2.605 1.00 0.37 H new ATOM 0 HA THR A 139 19.036 -8.830 -1.862 1.00 0.29 H new ATOM 0 HB THR A 139 20.983 -9.855 -0.217 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.660 -10.558 -1.693 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.705 -11.929 -1.526 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.153 -11.099 -1.266 1.00 0.39 H new ATOM 0 HG23 THR A 139 19.966 -10.990 -2.845 1.00 0.39 H new ATOM 2238 N MET A 140 19.048 -7.792 0.436 1.00 0.26 N ATOM 2239 CA MET A 140 18.813 -6.881 1.536 1.00 0.32 C ATOM 2240 C MET A 140 18.307 -7.588 2.787 1.00 0.34 C ATOM 2241 O MET A 140 17.711 -8.663 2.717 1.00 0.38 O ATOM 2242 CB MET A 140 17.808 -5.825 1.124 1.00 0.38 C ATOM 2243 CG MET A 140 18.447 -4.493 0.848 1.00 0.60 C ATOM 2244 SD MET A 140 17.371 -3.135 1.269 1.00 0.78 S ATOM 2245 CE MET A 140 17.165 -3.490 3.005 1.00 0.40 C ATOM 0 H MET A 140 18.393 -8.573 0.388 1.00 0.26 H new ATOM 0 HA MET A 140 19.773 -6.424 1.779 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.279 -6.161 0.232 1.00 0.38 H new ATOM 0 HB3 MET A 140 17.064 -5.710 1.912 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.374 -4.411 1.416 1.00 0.60 H new ATOM 0 HG3 MET A 140 18.714 -4.431 -0.207 1.00 0.60 H new ATOM 0 HE1 MET A 140 16.970 -2.564 3.545 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.326 -4.173 3.140 1.00 0.40 H new ATOM 0 HE3 MET A 140 18.074 -3.951 3.392 1.00 0.40 H new ATOM 2255 N ALA A 141 18.567 -6.970 3.932 1.00 0.34 N ATOM 2256 CA ALA A 141 18.072 -7.448 5.215 1.00 0.38 C ATOM 2257 C ALA A 141 16.707 -6.847 5.527 1.00 0.34 C ATOM 2258 O ALA A 141 16.464 -5.671 5.258 1.00 0.36 O ATOM 2259 CB ALA A 141 19.056 -7.072 6.309 1.00 0.44 C ATOM 0 H ALA A 141 19.129 -6.121 3.996 1.00 0.34 H new ATOM 0 HA ALA A 141 17.969 -8.532 5.166 1.00 0.38 H new ATOM 0 HB1 ALA A 141 18.686 -7.430 7.270 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.024 -7.528 6.100 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.166 -5.988 6.343 1.00 0.44 H new ATOM 2265 N LYS A 142 15.830 -7.655 6.116 1.00 0.32 N ATOM 2266 CA LYS A 142 14.518 -7.188 6.559 1.00 0.30 C ATOM 2267 C LYS A 142 14.670 -6.118 7.634 1.00 0.26 C ATOM 2268 O LYS A 142 13.874 -5.182 7.713 1.00 0.24 O ATOM 2269 CB LYS A 142 13.691 -8.359 7.107 1.00 0.33 C ATOM 2270 CG LYS A 142 12.399 -7.929 7.791 1.00 0.32 C ATOM 2271 CD LYS A 142 11.738 -9.082 8.530 1.00 0.38 C ATOM 2272 CE LYS A 142 10.566 -8.603 9.370 1.00 0.49 C ATOM 2273 NZ LYS A 142 9.952 -9.710 10.147 1.00 1.11 N ATOM 0 H LYS A 142 16.005 -8.643 6.299 1.00 0.32 H new ATOM 0 HA LYS A 142 14.000 -6.758 5.702 1.00 0.30 H new ATOM 0 HB2 LYS A 142 13.450 -9.037 6.288 1.00 0.33 H new ATOM 0 HB3 LYS A 142 14.298 -8.920 7.817 1.00 0.33 H new ATOM 0 HG2 LYS A 142 12.611 -7.122 8.492 1.00 0.32 H new ATOM 0 HG3 LYS A 142 11.709 -7.532 7.047 1.00 0.32 H new ATOM 0 HD2 LYS A 142 11.393 -9.826 7.812 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.470 -9.573 9.171 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.904 -7.824 10.053 1.00 0.49 H new ATOM 0 HE3 LYS A 142 9.814 -8.154 8.721 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 8.955 -9.486 10.342 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 10.008 -10.592 9.599 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 10.462 -9.828 11.046 1.00 1.11 H new ATOM 2287 N ASP A 143 15.720 -6.256 8.429 1.00 0.29 N ATOM 2288 CA ASP A 143 15.974 -5.362 9.549 1.00 0.31 C ATOM 2289 C ASP A 143 16.370 -3.990 9.035 1.00 0.28 C ATOM 2290 O ASP A 143 15.940 -2.960 9.556 1.00 0.29 O ATOM 2291 CB ASP A 143 17.082 -5.939 10.433 1.00 0.37 C ATOM 2292 CG ASP A 143 17.400 -5.059 11.624 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.782 -5.248 12.692 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.264 -4.167 11.498 1.00 0.52 O ATOM 0 H ASP A 143 16.419 -6.990 8.316 1.00 0.29 H new ATOM 0 HA ASP A 143 15.066 -5.264 10.144 1.00 0.31 H new ATOM 0 HB2 ASP A 143 16.782 -6.926 10.786 1.00 0.37 H new ATOM 0 HB3 ASP A 143 17.984 -6.074 9.836 1.00 0.37 H new ATOM 2299 N MET A 144 17.190 -3.993 8.000 1.00 0.29 N ATOM 2300 CA MET A 144 17.604 -2.770 7.339 1.00 0.30 C ATOM 2301 C MET A 144 16.444 -2.170 6.567 1.00 0.24 C ATOM 2302 O MET A 144 16.222 -0.967 6.611 1.00 0.25 O ATOM 2303 CB MET A 144 18.756 -3.062 6.385 1.00 0.35 C ATOM 2304 CG MET A 144 19.059 -1.923 5.416 1.00 0.36 C ATOM 2305 SD MET A 144 20.301 -2.370 4.184 1.00 0.48 S ATOM 2306 CE MET A 144 20.239 -0.947 3.095 1.00 0.43 C ATOM 0 H MET A 144 17.587 -4.841 7.595 1.00 0.29 H new ATOM 0 HA MET A 144 17.932 -2.058 8.096 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.651 -3.278 6.968 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.523 -3.960 5.813 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.140 -1.628 4.909 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.406 -1.056 5.978 1.00 0.36 H new ATOM 0 HE1 MET A 144 20.928 -1.095 2.264 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.226 -0.827 2.710 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.525 -0.053 3.648 1.00 0.43 H new ATOM 2316 N PHE A 145 15.706 -3.028 5.879 1.00 0.21 N ATOM 2317 CA PHE A 145 14.639 -2.607 4.979 1.00 0.17 C ATOM 2318 C PHE A 145 13.664 -1.664 5.671 1.00 0.15 C ATOM 2319 O PHE A 145 13.436 -0.545 5.209 1.00 0.16 O ATOM 2320 CB PHE A 145 13.895 -3.833 4.461 1.00 0.19 C ATOM 2321 CG PHE A 145 13.080 -3.555 3.241 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.717 -3.342 3.344 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.669 -3.502 1.996 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.960 -3.080 2.226 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.916 -3.243 0.875 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.579 -3.048 0.973 1.00 0.29 C ATOM 0 H PHE A 145 15.829 -4.039 5.928 1.00 0.21 H new ATOM 0 HA PHE A 145 15.090 -2.068 4.146 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.616 -4.620 4.237 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.242 -4.213 5.247 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.242 -3.382 4.313 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.732 -3.665 1.900 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.899 -2.901 2.315 1.00 0.30 H new ATOM 0 HE2 PHE A 145 13.395 -3.195 -0.092 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.992 -2.868 0.084 1.00 0.29 H new ATOM 2336 N VAL A 146 13.102 -2.118 6.783 1.00 0.15 N ATOM 2337 CA VAL A 146 12.158 -1.305 7.536 1.00 0.14 C ATOM 2338 C VAL A 146 12.809 -0.030 8.061 1.00 0.15 C ATOM 2339 O VAL A 146 12.264 1.059 7.898 1.00 0.16 O ATOM 2340 CB VAL A 146 11.496 -2.081 8.700 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.490 -2.980 9.417 1.00 0.19 C ATOM 2342 CG2 VAL A 146 10.867 -1.105 9.680 1.00 0.17 C ATOM 0 H VAL A 146 13.282 -3.039 7.182 1.00 0.15 H new ATOM 0 HA VAL A 146 11.371 -1.033 6.832 1.00 0.14 H new ATOM 0 HB VAL A 146 10.722 -2.721 8.277 1.00 0.16 H new ATOM 0 HG11 VAL A 146 11.986 -3.507 10.227 1.00 0.19 H new ATOM 0 HG12 VAL A 146 12.899 -3.704 8.713 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.299 -2.375 9.826 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.403 -1.658 10.497 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.636 -0.444 10.080 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.110 -0.512 9.167 1.00 0.17 H new ATOM 2352 N SER A 147 13.979 -0.158 8.662 1.00 0.18 N ATOM 2353 CA SER A 147 14.670 0.990 9.225 1.00 0.21 C ATOM 2354 C SER A 147 15.004 2.011 8.132 1.00 0.21 C ATOM 2355 O SER A 147 14.928 3.224 8.348 1.00 0.24 O ATOM 2356 CB SER A 147 15.931 0.516 9.947 1.00 0.25 C ATOM 2357 OG SER A 147 16.631 1.596 10.539 1.00 0.85 O ATOM 0 H SER A 147 14.471 -1.045 8.773 1.00 0.18 H new ATOM 0 HA SER A 147 14.020 1.487 9.945 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.660 -0.208 10.716 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.584 0.002 9.241 1.00 0.25 H new ATOM 0 HG SER A 147 17.431 1.258 10.993 1.00 0.85 H new ATOM 2363 N ARG A 148 15.352 1.504 6.956 1.00 0.20 N ATOM 2364 CA ARG A 148 15.616 2.335 5.793 1.00 0.21 C ATOM 2365 C ARG A 148 14.353 3.037 5.316 1.00 0.19 C ATOM 2366 O ARG A 148 14.331 4.252 5.150 1.00 0.27 O ATOM 2367 CB ARG A 148 16.159 1.471 4.665 1.00 0.23 C ATOM 2368 CG ARG A 148 17.628 1.130 4.770 1.00 0.29 C ATOM 2369 CD ARG A 148 18.498 2.369 4.719 1.00 0.43 C ATOM 2370 NE ARG A 148 19.907 2.060 4.937 1.00 1.22 N ATOM 2371 CZ ARG A 148 20.910 2.767 4.424 1.00 1.53 C ATOM 2372 NH1 ARG A 148 20.663 3.826 3.659 1.00 1.19 N ATOM 2373 NH2 ARG A 148 22.164 2.413 4.682 1.00 2.48 N ATOM 0 H ARG A 148 15.459 0.504 6.784 1.00 0.20 H new ATOM 0 HA ARG A 148 16.347 3.092 6.078 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.588 0.543 4.631 1.00 0.23 H new ATOM 0 HB3 ARG A 148 15.988 1.985 3.719 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.811 0.595 5.702 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.904 0.458 3.957 1.00 0.29 H new ATOM 0 HD2 ARG A 148 18.380 2.855 3.750 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.162 3.079 5.475 1.00 0.43 H new ATOM 0 HE ARG A 148 20.137 1.253 5.518 1.00 1.22 H new ATOM 0 HH11 ARG A 148 19.700 4.100 3.463 1.00 1.19 H new ATOM 0 HH12 ARG A 148 21.436 4.364 3.268 1.00 1.19 H new ATOM 0 HH21 ARG A 148 22.354 1.602 5.271 1.00 2.48 H new ATOM 0 HH22 ARG A 148 22.937 2.952 4.291 1.00 2.48 H new ATOM 2387 N GLY A 149 13.301 2.266 5.092 1.00 0.14 N ATOM 2388 CA GLY A 149 12.062 2.839 4.630 1.00 0.13 C ATOM 2389 C GLY A 149 11.495 3.811 5.636 1.00 0.15 C ATOM 2390 O GLY A 149 10.916 4.826 5.269 1.00 0.17 O ATOM 0 H GLY A 149 13.286 1.255 5.223 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.227 3.350 3.681 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.340 2.045 4.443 1.00 0.13 H new ATOM 2394 N ASN A 150 11.682 3.502 6.909 1.00 0.17 N ATOM 2395 CA ASN A 150 11.200 4.348 7.988 1.00 0.22 C ATOM 2396 C ASN A 150 11.848 5.735 7.951 1.00 0.23 C ATOM 2397 O ASN A 150 11.199 6.728 8.273 1.00 0.26 O ATOM 2398 CB ASN A 150 11.447 3.680 9.345 1.00 0.32 C ATOM 2399 CG ASN A 150 10.823 4.446 10.494 1.00 0.46 C ATOM 2400 OD1 ASN A 150 9.639 4.284 10.789 1.00 1.42 O ATOM 2401 ND2 ASN A 150 11.617 5.260 11.168 1.00 0.93 N ATOM 0 H ASN A 150 12.169 2.662 7.222 1.00 0.17 H new ATOM 0 HA ASN A 150 10.127 4.479 7.849 1.00 0.22 H new ATOM 0 HB2 ASN A 150 11.043 2.668 9.326 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.520 3.592 9.512 1.00 0.32 H new ATOM 0 HD21 ASN A 150 11.254 5.782 11.965 1.00 0.93 H new ATOM 0 HD22 ASN A 150 12.593 5.366 10.891 1.00 0.93 H new ATOM 2408 N THR A 151 13.120 5.815 7.551 1.00 0.23 N ATOM 2409 CA THR A 151 13.787 7.112 7.458 1.00 0.27 C ATOM 2410 C THR A 151 13.398 7.815 6.158 1.00 0.27 C ATOM 2411 O THR A 151 13.444 9.044 6.064 1.00 0.33 O ATOM 2412 CB THR A 151 15.330 7.006 7.583 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.900 8.314 7.732 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.957 6.326 6.375 1.00 0.27 C ATOM 0 H THR A 151 13.697 5.015 7.292 1.00 0.23 H new ATOM 0 HA THR A 151 13.447 7.707 8.306 1.00 0.27 H new ATOM 0 HB THR A 151 15.541 6.398 8.462 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.874 8.239 7.812 1.00 0.40 H new ATOM 0 HG21 THR A 151 17.038 6.274 6.507 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.555 5.318 6.276 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.728 6.898 5.476 1.00 0.27 H new ATOM 2422 N GLU A 152 13.004 7.030 5.156 1.00 0.25 N ATOM 2423 CA GLU A 152 12.370 7.569 3.962 1.00 0.30 C ATOM 2424 C GLU A 152 10.931 7.972 4.282 1.00 0.28 C ATOM 2425 O GLU A 152 10.256 8.634 3.495 1.00 0.30 O ATOM 2426 CB GLU A 152 12.404 6.531 2.847 1.00 0.34 C ATOM 2427 CG GLU A 152 13.511 6.746 1.821 1.00 0.52 C ATOM 2428 CD GLU A 152 14.866 7.080 2.419 1.00 0.63 C ATOM 2429 OE1 GLU A 152 15.758 6.207 2.401 1.00 1.31 O ATOM 2430 OE2 GLU A 152 15.053 8.231 2.875 1.00 0.98 O ATOM 0 H GLU A 152 13.115 6.016 5.151 1.00 0.25 H new ATOM 0 HA GLU A 152 12.913 8.453 3.628 1.00 0.30 H new ATOM 0 HB2 GLU A 152 12.523 5.543 3.291 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.443 6.536 2.333 1.00 0.34 H new ATOM 0 HG2 GLU A 152 13.607 5.845 1.215 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.215 7.552 1.149 1.00 0.52 H new ATOM 2437 N GLY A 153 10.490 7.556 5.458 1.00 0.25 N ATOM 2438 CA GLY A 153 9.228 7.993 6.009 1.00 0.25 C ATOM 2439 C GLY A 153 8.147 6.931 5.997 1.00 0.21 C ATOM 2440 O GLY A 153 7.128 7.096 6.670 1.00 0.24 O ATOM 0 H GLY A 153 11.001 6.905 6.054 1.00 0.25 H new ATOM 0 HA2 GLY A 153 9.387 8.323 7.036 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.878 8.859 5.446 1.00 0.25 H new ATOM 2444 N ALA A 154 8.339 5.841 5.260 1.00 0.17 N ATOM 2445 CA ALA A 154 7.398 4.730 5.344 1.00 0.16 C ATOM 2446 C ALA A 154 8.070 3.373 5.233 1.00 0.14 C ATOM 2447 O ALA A 154 8.758 3.080 4.254 1.00 0.15 O ATOM 2448 CB ALA A 154 6.323 4.845 4.288 1.00 0.19 C ATOM 0 H ALA A 154 9.116 5.704 4.614 1.00 0.17 H new ATOM 0 HA ALA A 154 6.948 4.797 6.335 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.636 4.003 4.375 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.775 5.777 4.427 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.782 4.838 3.299 1.00 0.19 H new ATOM 2454 N SER A 155 7.832 2.536 6.222 1.00 0.15 N ATOM 2455 CA SER A 155 8.104 1.121 6.104 1.00 0.16 C ATOM 2456 C SER A 155 7.151 0.340 6.982 1.00 0.15 C ATOM 2457 O SER A 155 6.474 0.904 7.844 1.00 0.19 O ATOM 2458 CB SER A 155 9.533 0.774 6.478 1.00 0.23 C ATOM 2459 OG SER A 155 9.909 -0.478 5.926 1.00 1.42 O ATOM 0 H SER A 155 7.447 2.816 7.124 1.00 0.15 H new ATOM 0 HA SER A 155 7.961 0.852 5.057 1.00 0.16 H new ATOM 0 HB2 SER A 155 10.207 1.552 6.119 1.00 0.23 H new ATOM 0 HB3 SER A 155 9.632 0.743 7.563 1.00 0.23 H new ATOM 0 HG SER A 155 9.262 -0.739 5.238 1.00 1.42 H new ATOM 2465 N ILE A 156 7.110 -0.951 6.752 1.00 0.14 N ATOM 2466 CA ILE A 156 6.218 -1.835 7.462 1.00 0.15 C ATOM 2467 C ILE A 156 6.787 -3.252 7.438 1.00 0.15 C ATOM 2468 O ILE A 156 6.982 -3.843 6.374 1.00 0.17 O ATOM 2469 CB ILE A 156 4.796 -1.772 6.853 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.838 -2.697 7.593 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.817 -2.096 5.365 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.390 -2.424 7.263 1.00 0.28 C ATOM 0 H ILE A 156 7.698 -1.420 6.063 1.00 0.14 H new ATOM 0 HA ILE A 156 6.134 -1.518 8.502 1.00 0.15 H new ATOM 0 HB ILE A 156 4.436 -0.750 6.969 1.00 0.18 H new ATOM 0 HG12 ILE A 156 4.074 -3.732 7.344 1.00 0.21 H new ATOM 0 HG13 ILE A 156 3.989 -2.585 8.667 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.804 -2.043 4.967 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.449 -1.376 4.845 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.213 -3.101 5.217 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.754 -3.113 7.819 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.141 -1.399 7.537 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.228 -2.563 6.194 1.00 0.28 H new ATOM 2484 N SER A 157 7.082 -3.783 8.606 1.00 0.16 N ATOM 2485 CA SER A 157 7.763 -5.057 8.706 1.00 0.19 C ATOM 2486 C SER A 157 6.853 -6.126 9.296 1.00 0.20 C ATOM 2487 O SER A 157 5.982 -5.827 10.111 1.00 0.34 O ATOM 2488 CB SER A 157 9.029 -4.893 9.548 1.00 0.34 C ATOM 2489 OG SER A 157 8.742 -4.232 10.769 1.00 1.44 O ATOM 0 H SER A 157 6.860 -3.350 9.503 1.00 0.16 H new ATOM 0 HA SER A 157 8.040 -5.386 7.704 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.464 -5.871 9.753 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.772 -4.325 8.988 1.00 0.34 H new ATOM 0 HG SER A 157 9.565 -4.139 11.292 1.00 1.44 H new ATOM 2495 N PHE A 158 7.023 -7.356 8.827 1.00 0.20 N ATOM 2496 CA PHE A 158 6.312 -8.500 9.388 1.00 0.32 C ATOM 2497 C PHE A 158 6.589 -8.625 10.881 1.00 0.74 C ATOM 2498 O PHE A 158 5.627 -8.542 11.674 1.00 1.33 O ATOM 2499 CB PHE A 158 6.714 -9.794 8.671 1.00 0.97 C ATOM 2500 CG PHE A 158 5.654 -10.324 7.745 1.00 1.03 C ATOM 2501 CD1 PHE A 158 5.215 -9.575 6.665 1.00 0.97 C ATOM 2502 CD2 PHE A 158 5.091 -11.572 7.961 1.00 1.42 C ATOM 2503 CE1 PHE A 158 4.236 -10.062 5.817 1.00 1.38 C ATOM 2504 CE2 PHE A 158 4.113 -12.063 7.116 1.00 1.81 C ATOM 2505 CZ PHE A 158 3.684 -11.307 6.045 1.00 1.81 C ATOM 2506 OXT PHE A 158 7.767 -8.778 11.260 1.00 1.62 O ATOM 0 H PHE A 158 7.650 -7.588 8.056 1.00 0.20 H new ATOM 0 HA PHE A 158 5.244 -8.337 9.242 1.00 0.32 H new ATOM 0 HB2 PHE A 158 7.626 -9.615 8.101 1.00 0.97 H new ATOM 0 HB3 PHE A 158 6.947 -10.555 9.416 1.00 0.97 H new ATOM 0 HD1 PHE A 158 5.642 -8.600 6.483 1.00 0.97 H new ATOM 0 HD2 PHE A 158 5.420 -12.168 8.799 1.00 1.42 H new ATOM 0 HE1 PHE A 158 3.904 -9.469 4.978 1.00 1.38 H new ATOM 0 HE2 PHE A 158 3.685 -13.038 7.294 1.00 1.81 H new ATOM 0 HZ PHE A 158 2.918 -11.688 5.386 1.00 1.81 H new