USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 21 LYS NZ :NH3+ -162:sc= -1.05! (180deg=-0.976) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.0832 K(o=-1.1,f=-5.7!) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= -0.108 (180deg=-0.658) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -140:sc= -3.07! (180deg=-4.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.29) USER MOD Single : A 28 SER OG : rot 39:sc= 0.0599 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= -1.2 (180deg=-2.66!) USER MOD Single : A 43 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.025) USER MOD Single : A 44 SER OG : rot 75:sc= 0.756 USER MOD Single : A 46 SER OG : rot 95:sc= 0.181 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0318 K(o=-0.032,f=-2!) USER MOD Single : A 67 SER OG : rot -51:sc= 0.0919 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 76 THR OG1 : rot 124:sc= 0.654 USER MOD Single : A 78 GLN : amide:sc= -1.78 K(o=-1.8,f=-3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -114:sc= -1.12 (180deg=-3.45!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.55! K(o=-3.5!,f=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00766) USER MOD Single : A 100 THR OG1 : rot 83:sc= 0.202 USER MOD Single : A 102 ASN : amide:sc= -0.636 K(o=-0.64,f=-2.6!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.75! K(o=-1.7!,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.460 -2.393 8.922 1.00 0.20 N ATOM 37 CA LYS A 3 -1.457 -3.441 9.288 1.00 0.18 C ATOM 38 C LYS A 3 -0.102 -3.057 8.706 1.00 0.15 C ATOM 39 O LYS A 3 0.024 -2.777 7.529 1.00 0.16 O ATOM 40 CB LYS A 3 -1.902 -4.789 8.713 1.00 0.19 C ATOM 41 CG LYS A 3 -0.883 -5.873 9.086 1.00 0.20 C ATOM 42 CD LYS A 3 -1.516 -7.257 8.927 1.00 0.81 C ATOM 43 CE LYS A 3 -0.532 -8.321 9.413 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.308 -8.162 10.879 1.00 1.67 N ATOM 0 HA LYS A 3 -1.379 -3.519 10.372 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.886 -5.053 9.100 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.994 -4.720 7.629 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.002 -5.791 8.450 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.548 -5.732 10.114 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -2.442 -7.314 9.499 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.774 -7.434 7.883 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.922 -9.316 9.200 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.413 -8.228 8.878 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 0.004 -9.068 11.283 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 0.423 -7.440 11.042 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -1.195 -7.867 11.336 1.00 1.67 H new ATOM 58 N GLN A 4 0.919 -3.045 9.522 1.00 0.15 N ATOM 59 CA GLN A 4 2.278 -2.685 9.023 1.00 0.14 C ATOM 60 C GLN A 4 3.050 -3.966 8.708 1.00 0.12 C ATOM 61 O GLN A 4 3.202 -4.837 9.543 1.00 0.13 O ATOM 62 CB GLN A 4 3.024 -1.881 10.099 1.00 0.16 C ATOM 63 CG GLN A 4 4.411 -1.479 9.576 1.00 0.17 C ATOM 64 CD GLN A 4 5.173 -0.707 10.656 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.956 -0.910 11.834 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.071 0.172 10.299 1.00 0.31 N ATOM 0 H GLN A 4 0.870 -3.270 10.516 1.00 0.15 H new ATOM 0 HA GLN A 4 2.191 -2.080 8.121 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.453 -0.991 10.363 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.125 -2.476 11.007 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.972 -2.368 9.288 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.308 -0.864 8.682 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.253 0.342 9.310 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.590 0.688 11.009 1.00 0.31 H new ATOM 75 N ILE A 5 3.549 -4.073 7.508 1.00 0.10 N ATOM 76 CA ILE A 5 4.332 -5.281 7.109 1.00 0.10 C ATOM 77 C ILE A 5 5.823 -4.941 7.185 1.00 0.10 C ATOM 78 O ILE A 5 6.330 -4.166 6.397 1.00 0.11 O ATOM 79 CB ILE A 5 3.979 -5.628 5.656 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.454 -5.764 5.495 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.675 -6.925 5.211 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.898 -6.832 6.445 1.00 0.19 C ATOM 0 H ILE A 5 3.448 -3.368 6.777 1.00 0.10 H new ATOM 0 HA ILE A 5 4.103 -6.120 7.766 1.00 0.10 H new ATOM 0 HB ILE A 5 4.333 -4.816 5.020 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.976 -4.806 5.698 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.215 -6.028 4.465 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.407 -7.146 4.178 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.755 -6.803 5.287 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.357 -7.747 5.852 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.819 -6.910 6.313 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.361 -7.793 6.223 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.118 -6.553 7.475 1.00 0.19 H new ATOM 94 N GLU A 6 6.534 -5.520 8.118 1.00 0.11 N ATOM 95 CA GLU A 6 7.990 -5.236 8.236 1.00 0.13 C ATOM 96 C GLU A 6 8.766 -6.370 7.558 1.00 0.12 C ATOM 97 O GLU A 6 9.979 -6.355 7.499 1.00 0.13 O ATOM 98 CB GLU A 6 8.370 -5.180 9.719 1.00 0.15 C ATOM 99 CG GLU A 6 7.563 -4.076 10.421 1.00 0.17 C ATOM 100 CD GLU A 6 6.181 -4.611 10.819 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.876 -5.734 10.460 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.455 -3.887 11.480 1.00 2.25 O ATOM 0 H GLU A 6 6.165 -6.179 8.804 1.00 0.11 H new ATOM 0 HA GLU A 6 8.228 -4.284 7.761 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.174 -6.143 10.191 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.437 -4.985 9.823 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.097 -3.730 11.306 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.453 -3.217 9.759 1.00 0.17 H new ATOM 109 N SER A 7 8.069 -7.354 7.040 1.00 0.12 N ATOM 110 CA SER A 7 8.773 -8.486 6.362 1.00 0.13 C ATOM 111 C SER A 7 7.850 -9.153 5.344 1.00 0.12 C ATOM 112 O SER A 7 6.643 -9.098 5.450 1.00 0.12 O ATOM 113 CB SER A 7 9.177 -9.537 7.398 1.00 0.15 C ATOM 114 OG SER A 7 8.012 -10.023 8.050 1.00 0.15 O ATOM 0 H SER A 7 7.051 -7.421 7.057 1.00 0.12 H new ATOM 0 HA SER A 7 9.654 -8.088 5.858 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.706 -10.358 6.914 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.861 -9.102 8.127 1.00 0.15 H new ATOM 0 HG SER A 7 8.266 -10.698 8.714 1.00 0.15 H new ATOM 120 N LYS A 8 8.419 -9.814 4.377 1.00 0.14 N ATOM 121 CA LYS A 8 7.587 -10.517 3.368 1.00 0.15 C ATOM 122 C LYS A 8 6.785 -11.597 4.082 1.00 0.15 C ATOM 123 O LYS A 8 5.677 -11.925 3.710 1.00 0.16 O ATOM 124 CB LYS A 8 8.480 -11.181 2.321 1.00 0.18 C ATOM 125 CG LYS A 8 7.614 -11.642 1.138 1.00 0.21 C ATOM 126 CD LYS A 8 8.332 -12.734 0.337 1.00 0.43 C ATOM 127 CE LYS A 8 9.525 -12.134 -0.403 1.00 0.80 C ATOM 128 NZ LYS A 8 9.050 -11.047 -1.303 1.00 1.65 N ATOM 0 H LYS A 8 9.427 -9.897 4.243 1.00 0.14 H new ATOM 0 HA LYS A 8 6.928 -9.803 2.874 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.242 -10.481 1.978 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.003 -12.032 2.758 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.660 -12.020 1.505 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.393 -10.794 0.490 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.668 -13.526 1.006 1.00 0.43 H new ATOM 0 HD3 LYS A 8 7.643 -13.189 -0.374 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.250 -11.741 0.310 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.034 -12.905 -0.982 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 9.567 -11.092 -2.204 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 8.032 -11.164 -1.482 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.218 -10.125 -0.852 1.00 1.65 H new ATOM 142 N THR A 9 7.356 -12.171 5.100 1.00 0.15 N ATOM 143 CA THR A 9 6.645 -13.254 5.822 1.00 0.17 C ATOM 144 C THR A 9 5.266 -12.756 6.242 1.00 0.16 C ATOM 145 O THR A 9 4.263 -13.397 6.000 1.00 0.17 O ATOM 146 CB THR A 9 7.445 -13.653 7.061 1.00 0.19 C ATOM 147 OG1 THR A 9 8.766 -14.014 6.672 1.00 0.22 O ATOM 148 CG2 THR A 9 6.768 -14.845 7.740 1.00 0.23 C ATOM 0 H THR A 9 8.281 -11.937 5.461 1.00 0.15 H new ATOM 0 HA THR A 9 6.537 -14.120 5.169 1.00 0.17 H new ATOM 0 HB THR A 9 7.487 -12.815 7.757 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.282 -14.269 7.465 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.337 -15.131 8.624 1.00 0.23 H new ATOM 0 HG22 THR A 9 5.755 -14.569 8.034 1.00 0.23 H new ATOM 0 HG23 THR A 9 6.729 -15.685 7.046 1.00 0.23 H new ATOM 156 N ALA A 10 5.205 -11.612 6.850 1.00 0.15 N ATOM 157 CA ALA A 10 3.889 -11.063 7.260 1.00 0.15 C ATOM 158 C ALA A 10 3.092 -10.680 6.009 1.00 0.14 C ATOM 159 O ALA A 10 1.878 -10.731 5.994 1.00 0.15 O ATOM 160 CB ALA A 10 4.099 -9.839 8.157 1.00 0.17 C ATOM 0 H ALA A 10 6.011 -11.031 7.082 1.00 0.15 H new ATOM 0 HA ALA A 10 3.332 -11.814 7.821 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.131 -9.437 8.457 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.662 -10.130 9.044 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.654 -9.077 7.609 1.00 0.17 H new ATOM 166 N PHE A 11 3.763 -10.291 4.951 1.00 0.14 N ATOM 167 CA PHE A 11 3.033 -9.895 3.708 1.00 0.13 C ATOM 168 C PHE A 11 2.182 -11.068 3.240 1.00 0.14 C ATOM 169 O PHE A 11 1.026 -10.922 2.896 1.00 0.14 O ATOM 170 CB PHE A 11 4.060 -9.565 2.615 1.00 0.14 C ATOM 171 CG PHE A 11 3.380 -8.928 1.423 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.804 -7.663 1.549 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.345 -9.592 0.185 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.187 -7.058 0.450 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.728 -8.986 -0.918 1.00 0.14 C ATOM 176 CZ PHE A 11 2.149 -7.719 -0.783 1.00 0.14 C ATOM 0 H PHE A 11 4.780 -10.231 4.896 1.00 0.14 H new ATOM 0 HA PHE A 11 2.401 -9.029 3.906 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.818 -8.890 3.012 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.574 -10.475 2.305 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.835 -7.150 2.499 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.794 -10.569 0.083 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.740 -6.080 0.553 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.699 -9.496 -1.870 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.672 -7.251 -1.631 1.00 0.14 H new ATOM 186 N GLN A 12 2.748 -12.235 3.235 1.00 0.14 N ATOM 187 CA GLN A 12 1.986 -13.435 2.799 1.00 0.16 C ATOM 188 C GLN A 12 0.837 -13.687 3.785 1.00 0.15 C ATOM 189 O GLN A 12 -0.270 -14.009 3.401 1.00 0.16 O ATOM 190 CB GLN A 12 2.931 -14.635 2.842 1.00 0.18 C ATOM 191 CG GLN A 12 4.083 -14.428 1.857 1.00 0.17 C ATOM 192 CD GLN A 12 3.545 -14.376 0.425 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.397 -13.311 -0.143 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.249 -15.490 -0.186 1.00 1.31 N ATOM 0 H GLN A 12 3.712 -12.414 3.516 1.00 0.14 H new ATOM 0 HA GLN A 12 1.588 -13.287 1.795 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.323 -14.764 3.851 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.387 -15.546 2.592 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.610 -13.503 2.090 1.00 0.17 H new ATOM 0 HG3 GLN A 12 4.805 -15.239 1.954 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.374 -16.382 0.292 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.893 -15.469 -1.142 1.00 1.31 H new ATOM 203 N GLU A 13 1.109 -13.541 5.060 1.00 0.16 N ATOM 204 CA GLU A 13 0.061 -13.768 6.105 1.00 0.17 C ATOM 205 C GLU A 13 -1.068 -12.737 5.978 1.00 0.15 C ATOM 206 O GLU A 13 -2.231 -13.053 6.151 1.00 0.16 O ATOM 207 CB GLU A 13 0.705 -13.651 7.495 1.00 0.19 C ATOM 208 CG GLU A 13 1.653 -14.833 7.756 1.00 0.28 C ATOM 209 CD GLU A 13 0.851 -16.136 7.826 1.00 0.95 C ATOM 210 OE1 GLU A 13 -0.267 -16.096 8.309 1.00 1.67 O ATOM 211 OE2 GLU A 13 1.375 -17.155 7.401 1.00 1.77 O ATOM 0 H GLU A 13 2.023 -13.271 5.425 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.363 -14.763 5.968 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.256 -12.713 7.568 1.00 0.19 H new ATOM 0 HB3 GLU A 13 -0.071 -13.625 8.260 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.398 -14.896 6.962 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.194 -14.678 8.689 1.00 0.28 H new ATOM 218 N ALA A 14 -0.740 -11.506 5.696 1.00 0.15 N ATOM 219 CA ALA A 14 -1.799 -10.463 5.577 1.00 0.14 C ATOM 220 C ALA A 14 -2.647 -10.754 4.342 1.00 0.13 C ATOM 221 O ALA A 14 -3.857 -10.649 4.365 1.00 0.13 O ATOM 222 CB ALA A 14 -1.145 -9.086 5.452 1.00 0.15 C ATOM 0 H ALA A 14 0.213 -11.177 5.543 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.434 -10.474 6.463 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.918 -8.323 5.365 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.539 -8.889 6.336 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.511 -9.063 4.565 1.00 0.15 H new ATOM 228 N LEU A 15 -2.023 -11.134 3.265 1.00 0.12 N ATOM 229 CA LEU A 15 -2.797 -11.447 2.045 1.00 0.12 C ATOM 230 C LEU A 15 -3.750 -12.592 2.374 1.00 0.13 C ATOM 231 O LEU A 15 -4.903 -12.593 1.987 1.00 0.13 O ATOM 232 CB LEU A 15 -1.828 -11.895 0.946 1.00 0.13 C ATOM 233 CG LEU A 15 -0.983 -10.703 0.463 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.198 -11.223 -0.377 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.834 -9.745 -0.389 1.00 0.17 C ATOM 0 H LEU A 15 -1.012 -11.240 3.181 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.355 -10.574 1.705 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.176 -12.682 1.325 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.385 -12.317 0.110 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.612 -10.161 1.333 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.799 -10.381 -0.721 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.815 -11.884 0.232 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.182 -11.773 -1.238 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.218 -8.909 -0.721 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.222 -10.277 -1.258 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.666 -9.369 0.207 1.00 0.17 H new ATOM 247 N ASP A 16 -3.273 -13.564 3.104 1.00 0.13 N ATOM 248 CA ASP A 16 -4.142 -14.715 3.471 1.00 0.15 C ATOM 249 C ASP A 16 -5.224 -14.269 4.466 1.00 0.15 C ATOM 250 O ASP A 16 -6.342 -14.738 4.423 1.00 0.16 O ATOM 251 CB ASP A 16 -3.297 -15.824 4.106 1.00 0.17 C ATOM 252 CG ASP A 16 -4.113 -17.120 4.150 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.320 -17.030 4.313 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.519 -18.177 4.022 1.00 1.07 O ATOM 0 H ASP A 16 -2.319 -13.609 3.461 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.620 -15.092 2.567 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.383 -15.975 3.531 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.996 -15.536 5.113 1.00 0.17 H new ATOM 259 N ALA A 17 -4.894 -13.382 5.371 1.00 0.15 N ATOM 260 CA ALA A 17 -5.901 -12.922 6.379 1.00 0.16 C ATOM 261 C ALA A 17 -7.000 -12.101 5.700 1.00 0.15 C ATOM 262 O ALA A 17 -8.163 -12.213 6.031 1.00 0.17 O ATOM 263 CB ALA A 17 -5.211 -12.054 7.430 1.00 0.18 C ATOM 0 H ALA A 17 -3.971 -12.956 5.456 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.347 -13.798 6.850 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.944 -11.719 8.164 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.436 -12.635 7.930 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.759 -11.188 6.947 1.00 0.18 H new ATOM 269 N ALA A 18 -6.642 -11.276 4.756 1.00 0.14 N ATOM 270 CA ALA A 18 -7.674 -10.449 4.067 1.00 0.15 C ATOM 271 C ALA A 18 -8.655 -11.374 3.354 1.00 0.14 C ATOM 272 O ALA A 18 -9.805 -11.044 3.152 1.00 0.17 O ATOM 273 CB ALA A 18 -7.010 -9.533 3.038 1.00 0.15 C ATOM 0 H ALA A 18 -5.685 -11.138 4.432 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.198 -9.839 4.803 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.772 -8.933 2.540 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.301 -8.875 3.540 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.484 -10.137 2.299 1.00 0.15 H new ATOM 279 N GLY A 19 -8.202 -12.532 2.968 1.00 0.16 N ATOM 280 CA GLY A 19 -9.098 -13.489 2.264 1.00 0.20 C ATOM 281 C GLY A 19 -9.497 -12.914 0.905 1.00 0.16 C ATOM 282 O GLY A 19 -8.659 -12.550 0.104 1.00 0.17 O ATOM 0 H GLY A 19 -7.246 -12.858 3.110 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.592 -14.445 2.131 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.987 -13.679 2.865 1.00 0.20 H new ATOM 286 N ASP A 20 -10.774 -12.839 0.629 1.00 0.15 N ATOM 287 CA ASP A 20 -11.230 -12.304 -0.688 1.00 0.14 C ATOM 288 C ASP A 20 -11.449 -10.788 -0.593 1.00 0.12 C ATOM 289 O ASP A 20 -11.902 -10.162 -1.531 1.00 0.13 O ATOM 290 CB ASP A 20 -12.544 -12.982 -1.084 1.00 0.15 C ATOM 291 CG ASP A 20 -12.337 -14.496 -1.197 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.299 -14.897 -1.698 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.223 -15.228 -0.784 1.00 1.07 O ATOM 0 H ASP A 20 -11.522 -13.126 1.261 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.467 -12.508 -1.439 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.313 -12.766 -0.342 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -12.897 -12.583 -2.035 1.00 0.15 H new ATOM 298 N LYS A 21 -11.137 -10.188 0.526 1.00 0.12 N ATOM 299 CA LYS A 21 -11.340 -8.713 0.656 1.00 0.12 C ATOM 300 C LYS A 21 -10.249 -7.986 -0.135 1.00 0.10 C ATOM 301 O LYS A 21 -9.157 -8.488 -0.300 1.00 0.11 O ATOM 302 CB LYS A 21 -11.268 -8.314 2.135 1.00 0.15 C ATOM 303 CG LYS A 21 -12.418 -8.994 2.889 1.00 0.21 C ATOM 304 CD LYS A 21 -12.291 -8.753 4.405 1.00 0.31 C ATOM 305 CE LYS A 21 -12.886 -7.390 4.779 1.00 0.80 C ATOM 306 NZ LYS A 21 -14.348 -7.387 4.479 1.00 1.50 N ATOM 0 H LYS A 21 -10.753 -10.650 1.350 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.318 -8.438 0.262 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.310 -8.613 2.560 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.338 -7.231 2.237 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.373 -8.607 2.533 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.412 -10.065 2.684 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -12.806 -9.544 4.950 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -11.242 -8.793 4.700 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -12.720 -7.187 5.837 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.387 -6.598 4.220 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.692 -6.406 4.437 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -14.516 -7.852 3.564 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.857 -7.900 5.227 1.00 1.50 H new ATOM 320 N LEU A 22 -10.538 -6.814 -0.641 1.00 0.11 N ATOM 321 CA LEU A 22 -9.517 -6.075 -1.432 1.00 0.12 C ATOM 322 C LEU A 22 -8.303 -5.841 -0.517 1.00 0.12 C ATOM 323 O LEU A 22 -8.417 -5.882 0.691 1.00 0.14 O ATOM 324 CB LEU A 22 -10.134 -4.723 -1.879 1.00 0.15 C ATOM 325 CG LEU A 22 -9.744 -4.344 -3.325 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.255 -2.911 -3.647 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.218 -4.393 -3.506 1.00 0.47 C ATOM 0 H LEU A 22 -11.436 -6.341 -0.539 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.206 -6.631 -2.317 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.220 -4.780 -1.802 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.807 -3.936 -1.200 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.202 -5.062 -4.006 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.978 -2.647 -4.668 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.340 -2.880 -3.546 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.806 -2.200 -2.954 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.964 -4.123 -4.531 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.747 -3.690 -2.818 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.859 -5.401 -3.297 1.00 0.47 H new ATOM 339 N VAL A 23 -7.153 -5.588 -1.074 1.00 0.11 N ATOM 340 CA VAL A 23 -5.952 -5.344 -0.234 1.00 0.11 C ATOM 341 C VAL A 23 -5.061 -4.346 -0.954 1.00 0.11 C ATOM 342 O VAL A 23 -4.563 -4.615 -2.026 1.00 0.17 O ATOM 343 CB VAL A 23 -5.184 -6.653 -0.044 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.965 -6.410 0.851 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.099 -7.685 0.610 1.00 0.12 C ATOM 0 H VAL A 23 -6.994 -5.540 -2.080 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.250 -4.957 0.740 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.850 -7.022 -1.014 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.420 -7.344 0.985 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.312 -5.672 0.384 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.294 -6.040 1.822 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.554 -8.619 0.747 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.432 -7.314 1.579 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.965 -7.860 -0.028 1.00 0.12 H new ATOM 355 N VAL A 24 -4.850 -3.196 -0.376 1.00 0.09 N ATOM 356 CA VAL A 24 -3.981 -2.174 -1.027 1.00 0.09 C ATOM 357 C VAL A 24 -2.634 -2.160 -0.302 1.00 0.09 C ATOM 358 O VAL A 24 -2.577 -2.353 0.896 1.00 0.10 O ATOM 359 CB VAL A 24 -4.652 -0.800 -0.926 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.815 0.238 -1.678 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.055 -0.871 -1.543 1.00 0.14 C ATOM 0 H VAL A 24 -5.244 -2.918 0.523 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.830 -2.412 -2.080 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.729 -0.511 0.122 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.294 1.214 -1.605 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.819 0.289 -1.239 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.735 -0.049 -2.726 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.534 0.106 -1.472 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.977 -1.162 -2.591 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.652 -1.608 -1.005 1.00 0.14 H new ATOM 371 N VAL A 25 -1.548 -1.954 -1.015 1.00 0.09 N ATOM 372 CA VAL A 25 -0.197 -1.945 -0.358 1.00 0.09 C ATOM 373 C VAL A 25 0.532 -0.636 -0.680 1.00 0.10 C ATOM 374 O VAL A 25 0.730 -0.292 -1.825 1.00 0.11 O ATOM 375 CB VAL A 25 0.627 -3.130 -0.882 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.962 -3.183 -0.150 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.136 -4.437 -0.637 1.00 0.10 C ATOM 0 H VAL A 25 -1.539 -1.792 -2.022 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.320 -2.028 0.722 1.00 0.09 H new ATOM 0 HB VAL A 25 0.799 -3.004 -1.951 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.547 -4.024 -0.521 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.509 -2.256 -0.323 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.786 -3.307 0.919 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.451 -5.276 -1.010 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.310 -4.562 0.432 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.093 -4.403 -1.159 1.00 0.10 H new ATOM 387 N ASP A 26 0.942 0.094 0.332 1.00 0.11 N ATOM 388 CA ASP A 26 1.670 1.388 0.102 1.00 0.12 C ATOM 389 C ASP A 26 3.184 1.184 0.294 1.00 0.14 C ATOM 390 O ASP A 26 3.636 0.807 1.355 1.00 0.20 O ATOM 391 CB ASP A 26 1.170 2.439 1.104 1.00 0.14 C ATOM 392 CG ASP A 26 1.737 3.809 0.724 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.520 3.864 -0.210 1.00 1.05 O ATOM 394 OD2 ASP A 26 1.379 4.778 1.374 1.00 1.04 O ATOM 0 H ASP A 26 0.804 -0.151 1.312 1.00 0.11 H new ATOM 0 HA ASP A 26 1.480 1.727 -0.917 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.080 2.470 1.103 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.480 2.172 2.114 1.00 0.14 H new ATOM 399 N PHE A 27 3.972 1.439 -0.721 1.00 0.13 N ATOM 400 CA PHE A 27 5.463 1.275 -0.605 1.00 0.13 C ATOM 401 C PHE A 27 6.114 2.615 -0.274 1.00 0.22 C ATOM 402 O PHE A 27 7.279 2.828 -0.549 1.00 0.73 O ATOM 403 CB PHE A 27 6.044 0.767 -1.931 1.00 0.11 C ATOM 404 CG PHE A 27 5.760 -0.699 -2.087 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.628 -1.630 -1.510 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.652 -1.132 -2.818 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.389 -2.996 -1.661 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.412 -2.501 -2.967 1.00 0.14 C ATOM 409 CZ PHE A 27 5.280 -3.434 -2.390 1.00 0.14 C ATOM 0 H PHE A 27 3.648 1.757 -1.634 1.00 0.13 H new ATOM 0 HA PHE A 27 5.667 0.556 0.189 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.610 1.321 -2.764 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.119 0.942 -1.957 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.485 -1.291 -0.946 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.983 -0.412 -3.266 1.00 0.12 H new ATOM 0 HE1 PHE A 27 7.061 -3.715 -1.215 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.554 -2.839 -3.529 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.093 -4.491 -2.508 1.00 0.14 H new ATOM 419 N SER A 28 5.382 3.529 0.281 1.00 0.30 N ATOM 420 CA SER A 28 5.983 4.858 0.573 1.00 0.24 C ATOM 421 C SER A 28 7.194 4.707 1.486 1.00 0.24 C ATOM 422 O SER A 28 7.264 3.821 2.314 1.00 0.28 O ATOM 423 CB SER A 28 4.953 5.752 1.253 1.00 0.27 C ATOM 424 OG SER A 28 3.839 5.918 0.387 1.00 0.29 O ATOM 0 H SER A 28 4.403 3.420 0.545 1.00 0.30 H new ATOM 0 HA SER A 28 6.299 5.308 -0.368 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.634 5.308 2.196 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.393 6.721 1.490 1.00 0.27 H new ATOM 0 HG SER A 28 3.651 5.072 -0.070 1.00 0.29 H new ATOM 430 N ALA A 29 8.149 5.587 1.339 1.00 0.20 N ATOM 431 CA ALA A 29 9.363 5.526 2.196 1.00 0.21 C ATOM 432 C ALA A 29 9.064 6.275 3.488 1.00 0.22 C ATOM 433 O ALA A 29 8.686 7.431 3.474 1.00 0.22 O ATOM 434 CB ALA A 29 10.551 6.182 1.463 1.00 0.19 C ATOM 0 H ALA A 29 8.138 6.347 0.659 1.00 0.20 H new ATOM 0 HA ALA A 29 9.625 4.491 2.415 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.439 6.135 2.094 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.741 5.651 0.530 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.314 7.224 1.246 1.00 0.19 H new ATOM 440 N THR A 30 9.223 5.635 4.607 1.00 0.23 N ATOM 441 CA THR A 30 8.935 6.338 5.877 1.00 0.24 C ATOM 442 C THR A 30 9.944 7.478 6.032 1.00 0.22 C ATOM 443 O THR A 30 9.638 8.515 6.583 1.00 0.22 O ATOM 444 CB THR A 30 9.057 5.361 7.054 1.00 0.28 C ATOM 445 OG1 THR A 30 8.733 6.038 8.260 1.00 0.30 O ATOM 446 CG2 THR A 30 10.488 4.827 7.144 1.00 0.29 C ATOM 0 H THR A 30 9.536 4.668 4.696 1.00 0.23 H new ATOM 0 HA THR A 30 7.921 6.737 5.866 1.00 0.24 H new ATOM 0 HB THR A 30 8.372 4.527 6.900 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.808 5.417 9.014 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.566 4.134 7.982 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.742 4.308 6.220 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.178 5.658 7.295 1.00 0.29 H new ATOM 454 N TRP A 31 11.142 7.299 5.535 1.00 0.22 N ATOM 455 CA TRP A 31 12.167 8.383 5.651 1.00 0.21 C ATOM 456 C TRP A 31 11.852 9.555 4.718 1.00 0.19 C ATOM 457 O TRP A 31 12.292 10.665 4.945 1.00 0.22 O ATOM 458 CB TRP A 31 13.544 7.841 5.295 1.00 0.23 C ATOM 459 CG TRP A 31 13.572 7.405 3.864 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.458 6.127 3.461 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.715 8.204 2.650 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.561 6.074 2.085 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.711 7.329 1.537 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.855 9.583 2.405 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.844 7.803 0.233 1.00 0.21 C ATOM 466 CZ3 TRP A 31 13.985 10.062 1.090 1.00 0.23 C ATOM 467 CH2 TRP A 31 13.979 9.173 0.007 1.00 0.21 C ATOM 0 H TRP A 31 11.454 6.454 5.056 1.00 0.22 H new ATOM 0 HA TRP A 31 12.151 8.736 6.682 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.300 8.608 5.464 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.791 7.001 5.944 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.309 5.277 4.111 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.530 5.212 1.541 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.863 10.277 3.232 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.843 7.113 -0.598 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.090 11.122 0.913 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.079 9.548 -1.001 1.00 0.21 H new ATOM 478 N CYS A 32 11.125 9.333 3.657 1.00 0.18 N ATOM 479 CA CYS A 32 10.833 10.459 2.723 1.00 0.17 C ATOM 480 C CYS A 32 9.644 11.266 3.258 1.00 0.17 C ATOM 481 O CYS A 32 8.545 10.767 3.392 1.00 0.20 O ATOM 482 CB CYS A 32 10.526 9.890 1.331 1.00 0.18 C ATOM 483 SG CYS A 32 10.719 11.199 0.086 1.00 0.26 S ATOM 0 H CYS A 32 10.724 8.432 3.398 1.00 0.18 H new ATOM 0 HA CYS A 32 11.695 11.122 2.648 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.197 9.061 1.109 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.511 9.494 1.304 1.00 0.18 H new ATOM 488 N GLY A 33 9.878 12.514 3.586 1.00 0.20 N ATOM 489 CA GLY A 33 8.795 13.375 4.142 1.00 0.23 C ATOM 490 C GLY A 33 7.642 13.531 3.145 1.00 0.21 C ATOM 491 O GLY A 33 6.501 13.303 3.489 1.00 0.22 O ATOM 0 H GLY A 33 10.783 12.974 3.490 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.421 12.940 5.069 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.199 14.356 4.391 1.00 0.23 H new ATOM 495 N PRO A 34 7.913 13.916 1.923 1.00 0.21 N ATOM 496 CA PRO A 34 6.821 14.068 0.925 1.00 0.22 C ATOM 497 C PRO A 34 5.938 12.820 0.859 1.00 0.22 C ATOM 498 O PRO A 34 4.743 12.898 0.662 1.00 0.24 O ATOM 499 CB PRO A 34 7.611 14.278 -0.374 1.00 0.29 C ATOM 500 CG PRO A 34 9.021 14.742 0.020 1.00 0.31 C ATOM 501 CD PRO A 34 9.289 14.234 1.446 1.00 0.24 C ATOM 0 HA PRO A 34 6.126 14.876 1.151 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.657 13.353 -0.949 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.124 15.022 -1.004 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.763 14.347 -0.674 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.093 15.829 -0.020 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.936 13.357 1.452 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.771 14.990 2.065 1.00 0.24 H new ATOM 509 N ALA A 35 6.524 11.668 1.033 1.00 0.21 N ATOM 510 CA ALA A 35 5.733 10.408 0.988 1.00 0.23 C ATOM 511 C ALA A 35 5.016 10.201 2.329 1.00 0.23 C ATOM 512 O ALA A 35 3.833 9.929 2.378 1.00 0.22 O ATOM 513 CB ALA A 35 6.687 9.241 0.696 1.00 0.24 C ATOM 0 H ALA A 35 7.522 11.545 1.205 1.00 0.21 H new ATOM 0 HA ALA A 35 4.979 10.461 0.203 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.122 8.310 0.660 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.179 9.404 -0.263 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.438 9.179 1.483 1.00 0.24 H new ATOM 519 N LYS A 36 5.718 10.352 3.419 1.00 0.25 N ATOM 520 CA LYS A 36 5.073 10.183 4.751 1.00 0.27 C ATOM 521 C LYS A 36 3.934 11.201 4.883 1.00 0.26 C ATOM 522 O LYS A 36 2.915 10.940 5.492 1.00 0.27 O ATOM 523 CB LYS A 36 6.119 10.414 5.845 1.00 0.33 C ATOM 524 CG LYS A 36 5.488 10.152 7.213 1.00 0.37 C ATOM 525 CD LYS A 36 6.533 10.347 8.324 1.00 0.44 C ATOM 526 CE LYS A 36 6.730 11.839 8.618 1.00 0.89 C ATOM 527 NZ LYS A 36 7.488 11.994 9.891 1.00 1.59 N ATOM 0 H LYS A 36 6.711 10.585 3.444 1.00 0.25 H new ATOM 0 HA LYS A 36 4.668 9.176 4.853 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.972 9.753 5.693 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.494 11.436 5.795 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.648 10.829 7.370 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.091 9.138 7.251 1.00 0.37 H new ATOM 0 HD2 LYS A 36 6.212 9.831 9.229 1.00 0.44 H new ATOM 0 HD3 LYS A 36 7.481 9.901 8.023 1.00 0.44 H new ATOM 0 HE2 LYS A 36 7.270 12.314 7.799 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.763 12.337 8.694 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 7.623 13.005 10.093 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 6.955 11.554 10.668 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 8.415 11.532 9.801 1.00 1.59 H new ATOM 541 N MET A 37 4.099 12.350 4.293 1.00 0.28 N ATOM 542 CA MET A 37 3.041 13.399 4.353 1.00 0.30 C ATOM 543 C MET A 37 1.732 12.856 3.770 1.00 0.25 C ATOM 544 O MET A 37 0.661 13.323 4.094 1.00 0.25 O ATOM 545 CB MET A 37 3.493 14.618 3.541 1.00 0.38 C ATOM 546 CG MET A 37 2.521 15.774 3.772 1.00 0.44 C ATOM 547 SD MET A 37 2.929 17.145 2.664 1.00 1.54 S ATOM 548 CE MET A 37 1.522 18.202 3.091 1.00 2.10 C ATOM 0 H MET A 37 4.931 12.612 3.765 1.00 0.28 H new ATOM 0 HA MET A 37 2.877 13.686 5.392 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.500 14.912 3.836 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.532 14.368 2.481 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.498 15.442 3.594 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.574 16.104 4.809 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.571 19.125 2.513 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.593 17.680 2.863 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.554 18.438 4.155 1.00 2.10 H new ATOM 558 N ILE A 38 1.817 11.899 2.891 1.00 0.23 N ATOM 559 CA ILE A 38 0.588 11.335 2.254 1.00 0.25 C ATOM 560 C ILE A 38 -0.017 10.216 3.113 1.00 0.26 C ATOM 561 O ILE A 38 -1.023 9.638 2.754 1.00 0.31 O ATOM 562 CB ILE A 38 0.953 10.750 0.878 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.736 11.796 0.067 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.326 10.360 0.117 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.315 11.155 -1.196 1.00 0.49 C ATOM 0 H ILE A 38 2.692 11.477 2.581 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.142 12.138 2.153 1.00 0.25 H new ATOM 0 HB ILE A 38 1.569 9.862 1.019 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.080 12.624 -0.203 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.540 12.212 0.675 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.059 9.947 -0.856 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.877 9.614 0.689 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.950 11.243 -0.023 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.868 11.904 -1.763 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.986 10.343 -0.917 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.504 10.761 -1.809 1.00 0.49 H new ATOM 577 N LYS A 39 0.588 9.859 4.214 1.00 0.27 N ATOM 578 CA LYS A 39 0.013 8.732 5.004 1.00 0.34 C ATOM 579 C LYS A 39 -1.400 9.031 5.557 1.00 0.30 C ATOM 580 O LYS A 39 -2.166 8.111 5.738 1.00 0.33 O ATOM 581 CB LYS A 39 0.957 8.286 6.151 1.00 0.46 C ATOM 582 CG LYS A 39 0.880 9.201 7.400 1.00 0.50 C ATOM 583 CD LYS A 39 1.455 8.470 8.627 1.00 0.65 C ATOM 584 CE LYS A 39 0.609 7.230 8.978 1.00 0.80 C ATOM 585 NZ LYS A 39 1.260 6.025 8.389 1.00 0.75 N ATOM 0 H LYS A 39 1.433 10.286 4.593 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.087 7.908 4.297 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.708 7.265 6.441 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.983 8.271 5.783 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.436 10.121 7.221 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.155 9.486 7.589 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.483 8.168 8.426 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.483 9.149 9.479 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.525 7.124 10.060 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.403 7.341 8.589 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.563 5.493 7.829 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 2.045 6.320 7.774 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.626 5.420 9.152 1.00 0.75 H new ATOM 599 N PRO A 40 -1.773 10.260 5.871 1.00 0.26 N ATOM 600 CA PRO A 40 -3.131 10.486 6.442 1.00 0.25 C ATOM 601 C PRO A 40 -4.242 10.037 5.495 1.00 0.20 C ATOM 602 O PRO A 40 -5.207 9.452 5.911 1.00 0.21 O ATOM 603 CB PRO A 40 -3.139 12.010 6.645 1.00 0.26 C ATOM 604 CG PRO A 40 -1.682 12.462 6.629 1.00 0.28 C ATOM 605 CD PRO A 40 -0.947 11.490 5.703 1.00 0.27 C ATOM 0 HA PRO A 40 -3.318 9.916 7.352 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.706 12.503 5.855 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.615 12.272 7.590 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.596 13.486 6.267 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.256 12.442 7.632 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.930 11.837 4.670 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.089 11.336 6.005 1.00 0.27 H new ATOM 613 N PHE A 41 -4.117 10.299 4.225 1.00 0.16 N ATOM 614 CA PHE A 41 -5.193 9.863 3.296 1.00 0.13 C ATOM 615 C PHE A 41 -5.199 8.339 3.201 1.00 0.13 C ATOM 616 O PHE A 41 -6.213 7.692 3.349 1.00 0.15 O ATOM 617 CB PHE A 41 -4.908 10.422 1.907 1.00 0.14 C ATOM 618 CG PHE A 41 -5.145 11.907 1.882 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.211 12.777 2.453 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.299 12.413 1.276 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.431 14.159 2.419 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.520 13.793 1.240 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.586 14.667 1.811 1.00 0.37 C ATOM 0 H PHE A 41 -3.331 10.787 3.796 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.154 10.221 3.666 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.877 10.207 1.626 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.548 9.933 1.173 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.320 12.383 2.920 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.019 11.739 0.836 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.711 14.832 2.861 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.411 14.185 0.772 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.757 15.733 1.782 1.00 0.37 H new ATOM 633 N PHE A 42 -4.055 7.758 2.992 1.00 0.12 N ATOM 634 CA PHE A 42 -3.973 6.275 2.908 1.00 0.13 C ATOM 635 C PHE A 42 -4.439 5.673 4.228 1.00 0.14 C ATOM 636 O PHE A 42 -5.304 4.824 4.276 1.00 0.16 O ATOM 637 CB PHE A 42 -2.519 5.884 2.604 1.00 0.13 C ATOM 638 CG PHE A 42 -2.395 4.379 2.536 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.776 3.692 1.376 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.915 3.667 3.646 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.682 2.294 1.330 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.818 2.270 3.595 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.205 1.582 2.438 1.00 0.13 C ATOM 0 H PHE A 42 -3.168 8.248 2.875 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.615 5.894 2.114 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.204 6.327 1.659 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.858 6.278 3.376 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.141 4.238 0.519 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.620 4.196 4.540 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.978 1.764 0.437 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.445 1.723 4.448 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.136 0.505 2.400 1.00 0.13 H new ATOM 653 N HIS A 43 -3.877 6.131 5.298 1.00 0.16 N ATOM 654 CA HIS A 43 -4.259 5.623 6.639 1.00 0.18 C ATOM 655 C HIS A 43 -5.717 5.998 6.970 1.00 0.16 C ATOM 656 O HIS A 43 -6.464 5.196 7.491 1.00 0.16 O ATOM 657 CB HIS A 43 -3.286 6.227 7.658 1.00 0.23 C ATOM 658 CG HIS A 43 -3.634 5.762 9.037 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.031 4.665 9.630 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.564 6.212 9.928 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.615 4.490 10.832 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.558 5.408 11.061 1.00 0.31 N ATOM 0 H HIS A 43 -3.154 6.850 5.304 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.199 4.535 6.666 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.264 5.936 7.414 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.327 7.315 7.611 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.208 7.065 9.775 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.353 3.704 11.525 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.147 5.499 11.889 1.00 0.31 H new ATOM 670 N SER A 44 -6.124 7.207 6.688 1.00 0.15 N ATOM 671 CA SER A 44 -7.532 7.626 6.997 1.00 0.15 C ATOM 672 C SER A 44 -8.549 6.796 6.205 1.00 0.13 C ATOM 673 O SER A 44 -9.605 6.452 6.696 1.00 0.15 O ATOM 674 CB SER A 44 -7.730 9.100 6.649 1.00 0.18 C ATOM 675 OG SER A 44 -6.864 9.892 7.450 1.00 0.22 O ATOM 0 H SER A 44 -5.545 7.927 6.256 1.00 0.15 H new ATOM 0 HA SER A 44 -7.695 7.464 8.063 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.521 9.267 5.592 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.767 9.389 6.819 1.00 0.18 H new ATOM 0 HG SER A 44 -5.947 9.816 7.113 1.00 0.22 H new ATOM 681 N LEU A 45 -8.257 6.503 4.969 1.00 0.12 N ATOM 682 CA LEU A 45 -9.224 5.733 4.136 1.00 0.14 C ATOM 683 C LEU A 45 -9.464 4.362 4.745 1.00 0.13 C ATOM 684 O LEU A 45 -10.451 3.712 4.461 1.00 0.15 O ATOM 685 CB LEU A 45 -8.674 5.580 2.722 1.00 0.16 C ATOM 686 CG LEU A 45 -8.698 6.942 1.999 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.723 6.911 0.822 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.109 7.249 1.478 1.00 0.22 C ATOM 0 H LEU A 45 -7.390 6.763 4.499 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.170 6.273 4.100 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.655 5.196 2.759 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.269 4.854 2.168 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.405 7.718 2.706 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.739 7.873 0.310 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.716 6.712 1.189 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.017 6.125 0.126 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.108 8.214 0.971 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.416 6.471 0.778 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.807 7.280 2.315 1.00 0.22 H new ATOM 700 N SER A 46 -8.580 3.906 5.576 1.00 0.12 N ATOM 701 CA SER A 46 -8.788 2.572 6.184 1.00 0.12 C ATOM 702 C SER A 46 -10.172 2.554 6.842 1.00 0.14 C ATOM 703 O SER A 46 -10.889 1.580 6.763 1.00 0.16 O ATOM 704 CB SER A 46 -7.687 2.309 7.218 1.00 0.13 C ATOM 705 OG SER A 46 -6.422 2.346 6.565 1.00 0.14 O ATOM 0 H SER A 46 -7.730 4.393 5.859 1.00 0.12 H new ATOM 0 HA SER A 46 -8.739 1.789 5.427 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.725 3.059 8.008 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.839 1.339 7.691 1.00 0.13 H new ATOM 0 HG SER A 46 -6.038 3.244 6.646 1.00 0.14 H new ATOM 711 N GLU A 47 -10.561 3.627 7.477 1.00 0.15 N ATOM 712 CA GLU A 47 -11.912 3.663 8.111 1.00 0.18 C ATOM 713 C GLU A 47 -12.972 4.031 7.061 1.00 0.18 C ATOM 714 O GLU A 47 -14.147 3.802 7.262 1.00 0.21 O ATOM 715 CB GLU A 47 -11.925 4.707 9.231 1.00 0.22 C ATOM 716 CG GLU A 47 -10.988 4.264 10.359 1.00 0.23 C ATOM 717 CD GLU A 47 -11.537 3.011 11.051 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.676 2.657 10.790 1.00 2.05 O ATOM 719 OE2 GLU A 47 -10.806 2.430 11.837 1.00 2.16 O ATOM 0 H GLU A 47 -10.006 4.476 7.584 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.139 2.680 8.524 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.610 5.675 8.842 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.938 4.831 9.614 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -9.996 4.059 9.957 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.877 5.069 11.085 1.00 0.23 H new ATOM 726 N LYS A 48 -12.585 4.597 5.940 1.00 0.17 N ATOM 727 CA LYS A 48 -13.616 4.946 4.916 1.00 0.19 C ATOM 728 C LYS A 48 -14.008 3.658 4.215 1.00 0.18 C ATOM 729 O LYS A 48 -15.154 3.445 3.869 1.00 0.21 O ATOM 730 CB LYS A 48 -13.072 5.949 3.896 1.00 0.20 C ATOM 731 CG LYS A 48 -14.209 6.358 2.944 1.00 0.30 C ATOM 732 CD LYS A 48 -13.677 7.282 1.844 1.00 0.82 C ATOM 733 CE LYS A 48 -13.452 8.694 2.396 1.00 1.03 C ATOM 734 NZ LYS A 48 -13.155 9.619 1.269 1.00 1.78 N ATOM 0 H LYS A 48 -11.622 4.827 5.696 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.475 5.412 5.399 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.673 6.826 4.406 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.250 5.506 3.333 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.655 5.470 2.497 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.996 6.863 3.503 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -12.742 6.886 1.448 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -14.384 7.317 1.016 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.337 9.032 2.936 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -12.626 8.692 3.108 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -13.002 10.579 1.639 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -12.299 9.298 0.773 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.957 9.627 0.606 1.00 1.78 H new ATOM 748 N TYR A 49 -13.053 2.785 4.032 1.00 0.16 N ATOM 749 CA TYR A 49 -13.327 1.465 3.390 1.00 0.17 C ATOM 750 C TYR A 49 -12.861 0.382 4.357 1.00 0.16 C ATOM 751 O TYR A 49 -11.920 -0.344 4.101 1.00 0.16 O ATOM 752 CB TYR A 49 -12.561 1.365 2.063 1.00 0.17 C ATOM 753 CG TYR A 49 -13.083 2.417 1.115 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.340 2.247 0.526 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.328 3.563 0.837 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.843 3.220 -0.342 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.834 4.539 -0.030 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.093 4.367 -0.619 1.00 0.21 C ATOM 759 OH TYR A 49 -14.594 5.332 -1.468 1.00 0.25 O ATOM 0 H TYR A 49 -12.081 2.933 4.304 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.389 1.348 3.175 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.494 1.507 2.233 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.686 0.373 1.630 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -14.922 1.363 0.742 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.357 3.694 1.291 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.812 3.086 -0.799 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.254 5.424 -0.245 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.074 6.157 -1.369 1.00 0.25 H new ATOM 769 N SER A 50 -13.535 0.275 5.476 1.00 0.17 N ATOM 770 CA SER A 50 -13.166 -0.743 6.491 1.00 0.18 C ATOM 771 C SER A 50 -13.377 -2.128 5.898 1.00 0.19 C ATOM 772 O SER A 50 -12.956 -3.126 6.449 1.00 0.21 O ATOM 773 CB SER A 50 -14.051 -0.567 7.726 1.00 0.20 C ATOM 774 OG SER A 50 -15.381 -0.962 7.412 1.00 0.22 O ATOM 0 H SER A 50 -14.333 0.859 5.726 1.00 0.17 H new ATOM 0 HA SER A 50 -12.121 -0.625 6.779 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.667 -1.166 8.551 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.036 0.473 8.053 1.00 0.20 H new ATOM 0 HG SER A 50 -15.950 -0.852 8.202 1.00 0.22 H new ATOM 780 N ASN A 51 -14.011 -2.200 4.760 1.00 0.20 N ATOM 781 CA ASN A 51 -14.232 -3.525 4.120 1.00 0.23 C ATOM 782 C ASN A 51 -13.048 -3.810 3.204 1.00 0.19 C ATOM 783 O ASN A 51 -13.034 -4.772 2.461 1.00 0.22 O ATOM 784 CB ASN A 51 -15.523 -3.497 3.304 1.00 0.32 C ATOM 785 CG ASN A 51 -15.884 -4.921 2.879 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.278 -5.730 3.695 1.00 1.13 O ATOM 787 ND2 ASN A 51 -15.766 -5.263 1.626 1.00 0.27 N ATOM 0 H ASN A 51 -14.384 -1.401 4.248 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.319 -4.302 4.879 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.331 -3.066 3.895 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.398 -2.864 2.426 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.005 -6.210 1.331 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.435 -4.584 0.941 1.00 0.27 H new ATOM 794 N VAL A 52 -12.040 -2.981 3.282 1.00 0.21 N ATOM 795 CA VAL A 52 -10.813 -3.172 2.460 1.00 0.17 C ATOM 796 C VAL A 52 -9.618 -3.154 3.409 1.00 0.13 C ATOM 797 O VAL A 52 -9.617 -2.442 4.394 1.00 0.14 O ATOM 798 CB VAL A 52 -10.701 -2.045 1.421 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.293 -2.033 0.800 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.750 -2.273 0.323 1.00 0.24 C ATOM 0 H VAL A 52 -12.017 -2.165 3.893 1.00 0.21 H new ATOM 0 HA VAL A 52 -10.848 -4.118 1.920 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.876 -1.085 1.907 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.226 -1.230 0.066 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.552 -1.872 1.583 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.103 -2.989 0.311 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.678 -1.478 -0.419 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.571 -3.235 -0.157 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.746 -2.268 0.765 1.00 0.24 H new ATOM 810 N ILE A 53 -8.615 -3.954 3.149 1.00 0.11 N ATOM 811 CA ILE A 53 -7.438 -3.996 4.073 1.00 0.09 C ATOM 812 C ILE A 53 -6.311 -3.135 3.507 1.00 0.09 C ATOM 813 O ILE A 53 -5.824 -3.367 2.417 1.00 0.12 O ATOM 814 CB ILE A 53 -6.944 -5.445 4.209 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.120 -6.367 4.574 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.873 -5.527 5.304 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.880 -5.809 5.785 1.00 0.15 C ATOM 0 H ILE A 53 -8.559 -4.576 2.343 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.735 -3.615 5.050 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.517 -5.764 3.258 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.796 -6.460 3.724 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.750 -7.368 4.798 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.526 -6.556 5.397 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.034 -4.883 5.041 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.297 -5.200 6.253 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.709 -6.472 6.031 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.205 -5.740 6.638 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.266 -4.818 5.547 1.00 0.15 H new ATOM 829 N PHE A 54 -5.882 -2.148 4.251 1.00 0.08 N ATOM 830 CA PHE A 54 -4.774 -1.268 3.776 1.00 0.09 C ATOM 831 C PHE A 54 -3.454 -1.719 4.417 1.00 0.09 C ATOM 832 O PHE A 54 -3.357 -1.846 5.619 1.00 0.12 O ATOM 833 CB PHE A 54 -5.077 0.178 4.192 1.00 0.10 C ATOM 834 CG PHE A 54 -6.272 0.695 3.419 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.568 0.281 3.750 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.077 1.596 2.365 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.664 0.772 3.024 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.170 2.084 1.642 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.463 1.672 1.972 1.00 0.10 C ATOM 0 H PHE A 54 -6.254 -1.913 5.171 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.688 -1.331 2.691 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.277 0.224 5.262 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.209 0.810 4.003 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.724 -0.414 4.562 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.078 1.916 2.109 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.665 0.454 3.278 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.014 2.778 0.830 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.308 2.048 1.415 1.00 0.10 H new ATOM 849 N LEU A 55 -2.431 -1.947 3.619 1.00 0.09 N ATOM 850 CA LEU A 55 -1.093 -2.369 4.170 1.00 0.11 C ATOM 851 C LEU A 55 -0.086 -1.248 3.961 1.00 0.10 C ATOM 852 O LEU A 55 -0.114 -0.552 2.966 1.00 0.10 O ATOM 853 CB LEU A 55 -0.545 -3.642 3.472 1.00 0.12 C ATOM 854 CG LEU A 55 -1.239 -4.926 3.973 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.737 -4.713 4.168 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.021 -6.058 2.963 1.00 0.22 C ATOM 0 H LEU A 55 -2.465 -1.859 2.603 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.235 -2.587 5.228 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.685 -3.552 2.395 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.528 -3.718 3.649 1.00 0.12 H new ATOM 0 HG LEU A 55 -0.800 -5.188 4.936 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.193 -5.638 4.521 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -2.900 -3.924 4.903 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.190 -4.424 3.220 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.512 -6.963 3.320 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.442 -5.772 1.999 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.047 -6.245 2.851 1.00 0.22 H new ATOM 868 N GLU A 56 0.832 -1.105 4.877 1.00 0.12 N ATOM 869 CA GLU A 56 1.892 -0.069 4.739 1.00 0.13 C ATOM 870 C GLU A 56 3.218 -0.809 4.629 1.00 0.13 C ATOM 871 O GLU A 56 3.505 -1.688 5.414 1.00 0.14 O ATOM 872 CB GLU A 56 1.901 0.840 5.969 1.00 0.15 C ATOM 873 CG GLU A 56 2.833 2.025 5.707 1.00 0.17 C ATOM 874 CD GLU A 56 3.023 2.830 6.995 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.654 2.314 7.905 1.00 1.05 O ATOM 876 OE2 GLU A 56 2.538 3.950 7.050 1.00 1.13 O ATOM 0 H GLU A 56 0.893 -1.669 5.725 1.00 0.12 H new ATOM 0 HA GLU A 56 1.717 0.555 3.863 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.893 1.194 6.182 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.236 0.284 6.845 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.797 1.668 5.345 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.416 2.662 4.927 1.00 0.17 H new ATOM 883 N VAL A 57 4.013 -0.483 3.646 1.00 0.12 N ATOM 884 CA VAL A 57 5.317 -1.193 3.453 1.00 0.12 C ATOM 885 C VAL A 57 6.452 -0.178 3.376 1.00 0.11 C ATOM 886 O VAL A 57 6.375 0.810 2.672 1.00 0.13 O ATOM 887 CB VAL A 57 5.249 -1.983 2.145 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.589 -2.657 1.854 1.00 0.15 C ATOM 889 CG2 VAL A 57 4.167 -3.048 2.264 1.00 0.14 C ATOM 0 H VAL A 57 3.817 0.248 2.963 1.00 0.12 H new ATOM 0 HA VAL A 57 5.501 -1.865 4.291 1.00 0.12 H new ATOM 0 HB VAL A 57 5.017 -1.298 1.329 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.521 -3.214 0.920 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.367 -1.898 1.768 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.837 -3.340 2.666 1.00 0.15 H new ATOM 0 HG21 VAL A 57 4.112 -3.616 1.335 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.408 -3.721 3.087 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.206 -2.571 2.455 1.00 0.14 H new ATOM 899 N ASP A 58 7.508 -0.419 4.097 1.00 0.10 N ATOM 900 CA ASP A 58 8.669 0.509 4.081 1.00 0.09 C ATOM 901 C ASP A 58 9.718 -0.043 3.120 1.00 0.09 C ATOM 902 O ASP A 58 10.247 -1.111 3.329 1.00 0.09 O ATOM 903 CB ASP A 58 9.264 0.555 5.480 1.00 0.10 C ATOM 904 CG ASP A 58 10.290 1.682 5.554 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.714 2.140 4.506 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.627 2.074 6.656 1.00 1.02 O ATOM 0 H ASP A 58 7.617 -1.231 4.705 1.00 0.10 H new ATOM 0 HA ASP A 58 8.359 1.506 3.767 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.477 0.715 6.217 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.736 -0.398 5.719 1.00 0.10 H new ATOM 911 N VAL A 59 10.060 0.665 2.088 1.00 0.09 N ATOM 912 CA VAL A 59 11.095 0.119 1.171 1.00 0.10 C ATOM 913 C VAL A 59 12.413 0.040 1.932 1.00 0.11 C ATOM 914 O VAL A 59 13.325 -0.665 1.551 1.00 0.12 O ATOM 915 CB VAL A 59 11.269 1.043 -0.038 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.959 1.095 -0.829 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.652 2.453 0.435 1.00 0.16 C ATOM 0 H VAL A 59 9.680 1.578 1.840 1.00 0.09 H new ATOM 0 HA VAL A 59 10.792 -0.867 0.820 1.00 0.10 H new ATOM 0 HB VAL A 59 12.063 0.658 -0.678 1.00 0.12 H new ATOM 0 HG11 VAL A 59 10.080 1.752 -1.690 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.700 0.093 -1.171 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.163 1.477 -0.190 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.774 3.106 -0.429 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.866 2.847 1.079 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.588 2.408 0.992 1.00 0.16 H new ATOM 927 N ASP A 60 12.531 0.797 2.991 1.00 0.10 N ATOM 928 CA ASP A 60 13.805 0.815 3.769 1.00 0.12 C ATOM 929 C ASP A 60 13.803 -0.208 4.925 1.00 0.13 C ATOM 930 O ASP A 60 14.790 -0.882 5.146 1.00 0.15 O ATOM 931 CB ASP A 60 13.982 2.237 4.305 1.00 0.14 C ATOM 932 CG ASP A 60 14.531 3.133 3.188 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.731 3.697 2.460 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.742 3.227 3.070 1.00 1.08 O ATOM 0 H ASP A 60 11.797 1.406 3.352 1.00 0.10 H new ATOM 0 HA ASP A 60 14.634 0.529 3.121 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.028 2.625 4.663 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.665 2.236 5.155 1.00 0.14 H new ATOM 939 N ASP A 61 12.721 -0.356 5.653 1.00 0.13 N ATOM 940 CA ASP A 61 12.703 -1.363 6.771 1.00 0.15 C ATOM 941 C ASP A 61 12.087 -2.662 6.243 1.00 0.14 C ATOM 942 O ASP A 61 12.292 -3.731 6.785 1.00 0.19 O ATOM 943 CB ASP A 61 11.878 -0.828 7.953 1.00 0.16 C ATOM 944 CG ASP A 61 12.504 0.473 8.464 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.649 0.731 8.126 1.00 1.01 O ATOM 946 OD2 ASP A 61 11.828 1.190 9.185 1.00 1.07 O ATOM 0 H ASP A 61 11.856 0.170 5.526 1.00 0.13 H new ATOM 0 HA ASP A 61 13.719 -1.548 7.121 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.849 -0.651 7.641 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.846 -1.568 8.753 1.00 0.16 H new ATOM 951 N ALA A 62 11.336 -2.565 5.171 1.00 0.11 N ATOM 952 CA ALA A 62 10.695 -3.768 4.555 1.00 0.12 C ATOM 953 C ALA A 62 11.188 -3.887 3.112 1.00 0.11 C ATOM 954 O ALA A 62 10.432 -4.136 2.196 1.00 0.12 O ATOM 955 CB ALA A 62 9.172 -3.609 4.571 1.00 0.14 C ATOM 0 H ALA A 62 11.138 -1.688 4.690 1.00 0.11 H new ATOM 0 HA ALA A 62 10.958 -4.664 5.117 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.710 -4.488 4.121 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.828 -3.504 5.600 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.893 -2.721 4.003 1.00 0.14 H new ATOM 961 N GLN A 63 12.461 -3.690 2.913 1.00 0.11 N ATOM 962 CA GLN A 63 13.035 -3.765 1.540 1.00 0.12 C ATOM 963 C GLN A 63 12.827 -5.172 0.971 1.00 0.12 C ATOM 964 O GLN A 63 12.886 -5.381 -0.223 1.00 0.14 O ATOM 965 CB GLN A 63 14.530 -3.429 1.597 1.00 0.13 C ATOM 966 CG GLN A 63 15.287 -4.543 2.319 1.00 0.15 C ATOM 967 CD GLN A 63 16.711 -4.072 2.627 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.964 -2.887 2.713 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.655 -4.954 2.808 1.00 1.43 N ATOM 0 H GLN A 63 13.135 -3.478 3.649 1.00 0.11 H new ATOM 0 HA GLN A 63 12.533 -3.047 0.891 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.923 -3.306 0.588 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.679 -2.481 2.115 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.772 -4.809 3.242 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.314 -5.440 1.700 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.444 -5.949 2.736 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.604 -4.648 3.022 1.00 1.43 H new ATOM 978 N ASP A 64 12.581 -6.139 1.814 1.00 0.13 N ATOM 979 CA ASP A 64 12.357 -7.528 1.319 1.00 0.13 C ATOM 980 C ASP A 64 11.111 -7.562 0.435 1.00 0.15 C ATOM 981 O ASP A 64 11.080 -8.218 -0.586 1.00 0.16 O ATOM 982 CB ASP A 64 12.164 -8.462 2.519 1.00 0.17 C ATOM 983 CG ASP A 64 11.114 -7.877 3.461 1.00 0.21 C ATOM 984 OD1 ASP A 64 9.953 -7.895 3.106 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.495 -7.422 4.530 1.00 1.02 O ATOM 0 H ASP A 64 12.525 -6.026 2.826 1.00 0.13 H new ATOM 0 HA ASP A 64 13.218 -7.854 0.735 1.00 0.13 H new ATOM 0 HB2 ASP A 64 11.851 -9.449 2.178 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.109 -8.592 3.047 1.00 0.17 H new ATOM 990 N VAL A 65 10.081 -6.858 0.819 1.00 0.17 N ATOM 991 CA VAL A 65 8.835 -6.850 -0.001 1.00 0.22 C ATOM 992 C VAL A 65 9.064 -6.043 -1.277 1.00 0.22 C ATOM 993 O VAL A 65 8.640 -6.412 -2.354 1.00 0.26 O ATOM 994 CB VAL A 65 7.708 -6.172 0.791 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.384 -6.326 0.034 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.588 -6.798 2.187 1.00 0.32 C ATOM 0 H VAL A 65 10.048 -6.288 1.664 1.00 0.17 H new ATOM 0 HA VAL A 65 8.567 -7.878 -0.246 1.00 0.22 H new ATOM 0 HB VAL A 65 7.940 -5.113 0.903 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.585 -5.844 0.597 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.469 -5.859 -0.947 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.155 -7.385 -0.087 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.785 -6.308 2.738 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.366 -7.861 2.091 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.527 -6.671 2.725 1.00 0.32 H new ATOM 1006 N ALA A 66 9.704 -4.916 -1.144 1.00 0.19 N ATOM 1007 CA ALA A 66 9.946 -4.033 -2.315 1.00 0.22 C ATOM 1008 C ALA A 66 10.974 -4.645 -3.273 1.00 0.23 C ATOM 1009 O ALA A 66 10.847 -4.538 -4.478 1.00 0.26 O ATOM 1010 CB ALA A 66 10.458 -2.686 -1.807 1.00 0.25 C ATOM 0 H ALA A 66 10.074 -4.565 -0.261 1.00 0.19 H new ATOM 0 HA ALA A 66 9.012 -3.909 -2.864 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.641 -2.024 -2.653 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.712 -2.238 -1.150 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.386 -2.834 -1.255 1.00 0.25 H new ATOM 1016 N SER A 67 11.998 -5.265 -2.759 1.00 0.21 N ATOM 1017 CA SER A 67 13.024 -5.857 -3.665 1.00 0.23 C ATOM 1018 C SER A 67 12.366 -6.917 -4.543 1.00 0.23 C ATOM 1019 O SER A 67 12.697 -7.074 -5.702 1.00 0.24 O ATOM 1020 CB SER A 67 14.132 -6.508 -2.839 1.00 0.23 C ATOM 1021 OG SER A 67 13.599 -7.628 -2.145 1.00 0.22 O ATOM 0 H SER A 67 12.170 -5.388 -1.761 1.00 0.21 H new ATOM 0 HA SER A 67 13.452 -5.071 -4.287 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.949 -6.822 -3.488 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.545 -5.789 -2.131 1.00 0.23 H new ATOM 0 HG SER A 67 12.792 -7.358 -1.659 1.00 0.22 H new ATOM 1027 N GLU A 68 11.426 -7.636 -4.000 1.00 0.23 N ATOM 1028 CA GLU A 68 10.730 -8.682 -4.796 1.00 0.25 C ATOM 1029 C GLU A 68 9.947 -8.016 -5.928 1.00 0.22 C ATOM 1030 O GLU A 68 9.882 -8.521 -7.032 1.00 0.24 O ATOM 1031 CB GLU A 68 9.772 -9.470 -3.890 1.00 0.29 C ATOM 1032 CG GLU A 68 9.231 -10.695 -4.642 1.00 0.32 C ATOM 1033 CD GLU A 68 8.219 -10.257 -5.703 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.531 -9.278 -5.470 1.00 2.06 O ATOM 1035 OE2 GLU A 68 8.151 -10.907 -6.732 1.00 1.96 O ATOM 0 H GLU A 68 11.109 -7.544 -3.035 1.00 0.23 H new ATOM 0 HA GLU A 68 11.463 -9.369 -5.218 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.291 -9.788 -2.986 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.946 -8.831 -3.576 1.00 0.29 H new ATOM 0 HG2 GLU A 68 10.053 -11.234 -5.113 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.759 -11.383 -3.940 1.00 0.32 H new ATOM 1042 N ALA A 69 9.329 -6.895 -5.658 1.00 0.20 N ATOM 1043 CA ALA A 69 8.530 -6.208 -6.712 1.00 0.20 C ATOM 1044 C ALA A 69 9.423 -5.312 -7.573 1.00 0.19 C ATOM 1045 O ALA A 69 8.959 -4.707 -8.516 1.00 0.20 O ATOM 1046 CB ALA A 69 7.448 -5.349 -6.057 1.00 0.23 C ATOM 0 H ALA A 69 9.344 -6.427 -4.752 1.00 0.20 H new ATOM 0 HA ALA A 69 8.074 -6.968 -7.346 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.865 -4.847 -6.829 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.792 -5.983 -5.461 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.915 -4.604 -5.414 1.00 0.23 H new ATOM 1052 N GLU A 70 10.691 -5.207 -7.262 1.00 0.18 N ATOM 1053 CA GLU A 70 11.579 -4.332 -8.086 1.00 0.18 C ATOM 1054 C GLU A 70 11.007 -2.924 -8.139 1.00 0.17 C ATOM 1055 O GLU A 70 10.851 -2.355 -9.200 1.00 0.18 O ATOM 1056 CB GLU A 70 11.698 -4.861 -9.519 1.00 0.22 C ATOM 1057 CG GLU A 70 12.311 -6.257 -9.523 1.00 0.24 C ATOM 1058 CD GLU A 70 13.750 -6.200 -9.003 1.00 1.24 C ATOM 1059 OE1 GLU A 70 14.305 -5.114 -8.963 1.00 2.02 O ATOM 1060 OE2 GLU A 70 14.276 -7.247 -8.662 1.00 2.02 O ATOM 0 H GLU A 70 11.145 -5.683 -6.483 1.00 0.18 H new ATOM 0 HA GLU A 70 12.566 -4.327 -7.623 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.713 -4.888 -9.986 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.314 -4.185 -10.113 1.00 0.22 H new ATOM 0 HG2 GLU A 70 11.717 -6.926 -8.900 1.00 0.24 H new ATOM 0 HG3 GLU A 70 12.297 -6.666 -10.533 1.00 0.24 H new ATOM 1067 N VAL A 71 10.674 -2.352 -7.023 1.00 0.15 N ATOM 1068 CA VAL A 71 10.096 -0.988 -7.069 1.00 0.14 C ATOM 1069 C VAL A 71 11.146 -0.032 -7.630 1.00 0.14 C ATOM 1070 O VAL A 71 12.301 -0.070 -7.248 1.00 0.16 O ATOM 1071 CB VAL A 71 9.715 -0.532 -5.664 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.943 0.782 -5.766 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.839 -1.592 -4.987 1.00 0.15 C ATOM 0 H VAL A 71 10.774 -2.761 -6.094 1.00 0.15 H new ATOM 0 HA VAL A 71 9.206 -0.993 -7.698 1.00 0.14 H new ATOM 0 HB VAL A 71 10.617 -0.390 -5.069 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.665 1.119 -4.767 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.570 1.536 -6.242 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.043 0.630 -6.362 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.572 -1.257 -3.985 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.932 -1.743 -5.573 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.389 -2.531 -4.922 1.00 0.15 H new ATOM 1083 N LYS A 72 10.754 0.812 -8.551 1.00 0.15 N ATOM 1084 CA LYS A 72 11.718 1.770 -9.167 1.00 0.16 C ATOM 1085 C LYS A 72 11.487 3.188 -8.613 1.00 0.15 C ATOM 1086 O LYS A 72 12.307 4.068 -8.796 1.00 0.16 O ATOM 1087 CB LYS A 72 11.526 1.754 -10.691 1.00 0.19 C ATOM 1088 CG LYS A 72 11.795 0.334 -11.242 1.00 0.23 C ATOM 1089 CD LYS A 72 12.183 0.405 -12.725 1.00 0.74 C ATOM 1090 CE LYS A 72 11.004 0.932 -13.542 1.00 0.88 C ATOM 1091 NZ LYS A 72 11.363 0.904 -14.987 1.00 1.60 N ATOM 0 H LYS A 72 9.799 0.878 -8.904 1.00 0.15 H new ATOM 0 HA LYS A 72 12.738 1.473 -8.924 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.512 2.064 -10.941 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.203 2.469 -11.159 1.00 0.19 H new ATOM 0 HG2 LYS A 72 12.594 -0.140 -10.672 1.00 0.23 H new ATOM 0 HG3 LYS A 72 10.906 -0.285 -11.120 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.047 1.057 -12.854 1.00 0.74 H new ATOM 0 HD3 LYS A 72 12.473 -0.583 -13.083 1.00 0.74 H new ATOM 0 HE2 LYS A 72 10.119 0.322 -13.362 1.00 0.88 H new ATOM 0 HE3 LYS A 72 10.758 1.949 -13.235 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 10.565 1.261 -15.550 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 12.197 1.504 -15.149 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 11.578 -0.073 -15.272 1.00 1.60 H new ATOM 1105 N ALA A 73 10.390 3.420 -7.931 1.00 0.13 N ATOM 1106 CA ALA A 73 10.139 4.785 -7.369 1.00 0.13 C ATOM 1107 C ALA A 73 9.063 4.737 -6.267 1.00 0.11 C ATOM 1108 O ALA A 73 8.210 3.873 -6.249 1.00 0.12 O ATOM 1109 CB ALA A 73 9.664 5.717 -8.486 1.00 0.14 C ATOM 0 H ALA A 73 9.664 2.730 -7.741 1.00 0.13 H new ATOM 0 HA ALA A 73 11.069 5.154 -6.937 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.481 6.711 -8.077 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.430 5.778 -9.259 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.742 5.327 -8.918 1.00 0.14 H new ATOM 1115 N THR A 74 9.084 5.699 -5.369 1.00 0.11 N ATOM 1116 CA THR A 74 8.064 5.765 -4.273 1.00 0.11 C ATOM 1117 C THR A 74 7.476 7.183 -4.276 1.00 0.12 C ATOM 1118 O THR A 74 8.141 8.105 -4.689 1.00 0.15 O ATOM 1119 CB THR A 74 8.754 5.491 -2.920 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.598 6.576 -2.587 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.570 4.205 -3.006 1.00 0.14 C ATOM 0 H THR A 74 9.774 6.450 -5.351 1.00 0.11 H new ATOM 0 HA THR A 74 7.279 5.024 -4.424 1.00 0.11 H new ATOM 0 HB THR A 74 7.995 5.378 -2.146 1.00 0.12 H new ATOM 0 HG1 THR A 74 10.033 6.400 -1.727 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.055 4.017 -2.048 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.911 3.372 -3.249 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.328 4.306 -3.782 1.00 0.14 H new ATOM 1129 N PRO A 75 6.269 7.390 -3.804 1.00 0.13 N ATOM 1130 CA PRO A 75 5.383 6.311 -3.277 1.00 0.10 C ATOM 1131 C PRO A 75 4.733 5.480 -4.387 1.00 0.09 C ATOM 1132 O PRO A 75 4.344 5.997 -5.417 1.00 0.10 O ATOM 1133 CB PRO A 75 4.341 7.126 -2.492 1.00 0.12 C ATOM 1134 CG PRO A 75 4.381 8.570 -3.021 1.00 0.15 C ATOM 1135 CD PRO A 75 5.702 8.765 -3.780 1.00 0.16 C ATOM 0 HA PRO A 75 5.915 5.568 -2.683 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.346 6.699 -2.620 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.563 7.103 -1.425 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.533 8.758 -3.679 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.308 9.279 -2.197 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.538 9.153 -4.785 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.362 9.467 -3.271 1.00 0.16 H new ATOM 1143 N THR A 76 4.588 4.198 -4.166 1.00 0.09 N ATOM 1144 CA THR A 76 3.934 3.314 -5.181 1.00 0.09 C ATOM 1145 C THR A 76 2.861 2.485 -4.498 1.00 0.10 C ATOM 1146 O THR A 76 3.059 1.945 -3.428 1.00 0.12 O ATOM 1147 CB THR A 76 4.956 2.381 -5.829 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.960 3.158 -6.466 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.248 1.499 -6.867 1.00 0.13 C ATOM 0 H THR A 76 4.897 3.721 -3.319 1.00 0.09 H new ATOM 0 HA THR A 76 3.493 3.939 -5.958 1.00 0.09 H new ATOM 0 HB THR A 76 5.415 1.749 -5.069 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.840 2.904 -6.118 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.973 0.831 -7.332 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.474 0.909 -6.376 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.793 2.130 -7.631 1.00 0.13 H new ATOM 1157 N PHE A 77 1.718 2.401 -5.106 1.00 0.10 N ATOM 1158 CA PHE A 77 0.592 1.622 -4.513 1.00 0.10 C ATOM 1159 C PHE A 77 0.335 0.369 -5.347 1.00 0.10 C ATOM 1160 O PHE A 77 0.188 0.430 -6.553 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.649 2.504 -4.515 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.362 3.730 -3.688 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.521 3.688 -2.298 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.075 4.906 -4.310 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.243 4.825 -1.529 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.352 6.043 -3.541 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.193 6.003 -2.149 1.00 0.19 C ATOM 0 H PHE A 77 1.508 2.843 -6.001 1.00 0.10 H new ATOM 0 HA PHE A 77 0.838 1.320 -3.495 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.912 2.787 -5.534 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.501 1.961 -4.105 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.858 2.780 -1.819 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.198 4.936 -5.383 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.365 4.794 -0.456 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.688 6.951 -4.020 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.406 6.879 -1.555 1.00 0.19 H new ATOM 1177 N GLN A 78 0.256 -0.768 -4.706 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.009 -2.042 -5.441 1.00 0.09 C ATOM 1179 C GLN A 78 -1.281 -2.652 -4.887 1.00 0.08 C ATOM 1180 O GLN A 78 -1.538 -2.620 -3.697 1.00 0.09 O ATOM 1181 CB GLN A 78 1.163 -3.009 -5.246 1.00 0.09 C ATOM 1182 CG GLN A 78 2.388 -2.478 -6.003 1.00 0.12 C ATOM 1183 CD GLN A 78 3.502 -3.532 -6.002 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.233 -4.716 -5.978 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.753 -3.147 -6.021 1.00 0.29 N ATOM 0 H GLN A 78 0.364 -0.870 -3.697 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.121 -1.846 -6.507 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.393 -3.112 -4.185 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.896 -4.001 -5.612 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.113 -2.229 -7.028 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.744 -1.560 -5.536 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.980 -2.153 -6.041 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.500 -3.841 -6.016 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.094 -3.192 -5.747 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.382 -3.796 -5.295 1.00 0.07 C ATOM 1196 C PHE A 79 -3.292 -5.307 -5.337 1.00 0.07 C ATOM 1197 O PHE A 79 -2.822 -5.885 -6.294 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.497 -3.319 -6.219 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.678 -1.844 -5.990 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.800 -0.936 -6.591 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.697 -1.386 -5.152 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.946 0.435 -6.356 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.840 -0.016 -4.914 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.966 0.895 -5.515 1.00 0.12 C ATOM 0 H PHE A 79 -1.923 -3.243 -6.751 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.591 -3.489 -4.270 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.242 -3.516 -7.260 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.423 -3.855 -6.010 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.010 -1.293 -7.236 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.373 -2.089 -4.689 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.272 1.138 -6.823 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.627 0.339 -4.265 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.078 1.953 -5.330 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.759 -5.947 -4.298 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.736 -7.435 -4.240 1.00 0.08 C ATOM 1216 C PHE A 80 -5.112 -7.950 -3.869 1.00 0.09 C ATOM 1217 O PHE A 80 -5.834 -7.346 -3.103 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.723 -7.911 -3.198 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.319 -7.697 -3.706 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.639 -6.498 -3.445 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.683 -8.723 -4.417 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.673 -6.330 -3.900 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.630 -8.555 -4.865 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.309 -7.358 -4.606 1.00 0.15 C ATOM 0 H PHE A 80 -4.160 -5.494 -3.477 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.448 -7.819 -5.219 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.867 -7.368 -2.264 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.882 -8.967 -2.980 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.127 -5.707 -2.895 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.208 -9.645 -4.619 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.196 -5.405 -3.706 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.121 -9.348 -5.410 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.324 -7.228 -4.951 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.477 -9.077 -4.400 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.795 -9.660 -4.075 1.00 0.12 C ATOM 1236 C LYS A 81 -6.627 -11.182 -4.159 1.00 0.11 C ATOM 1237 O LYS A 81 -6.058 -11.698 -5.100 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.815 -9.147 -5.104 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.243 -9.375 -4.595 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.249 -9.163 -5.738 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.668 -9.041 -5.163 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.650 -8.795 -6.265 1.00 1.68 N ATOM 0 H LYS A 81 -4.912 -9.622 -5.051 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.150 -9.382 -3.083 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.653 -8.085 -5.289 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.674 -9.662 -6.054 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.339 -10.385 -4.198 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.460 -8.689 -3.777 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.994 -8.263 -6.297 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.200 -9.997 -6.438 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.931 -9.953 -4.628 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.707 -8.225 -4.441 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.607 -8.714 -5.866 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.405 -7.913 -6.758 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.622 -9.587 -6.938 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.073 -11.896 -3.168 1.00 0.12 N ATOM 1257 CA LYS A 82 -6.921 -13.389 -3.164 1.00 0.13 C ATOM 1258 C LYS A 82 -5.432 -13.756 -3.292 1.00 0.13 C ATOM 1259 O LYS A 82 -5.087 -14.793 -3.823 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.684 -14.019 -4.331 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.174 -13.687 -4.218 1.00 0.20 C ATOM 1262 CD LYS A 82 -9.978 -14.675 -5.061 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.435 -14.229 -5.115 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.200 -15.183 -5.959 1.00 1.22 N ATOM 0 H LYS A 82 -7.543 -11.512 -2.348 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.327 -13.770 -2.227 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.290 -13.648 -5.277 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.542 -15.100 -4.329 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.491 -13.738 -3.176 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.358 -12.668 -4.558 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.566 -14.730 -6.069 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.908 -15.675 -4.633 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.856 -14.194 -4.110 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.506 -13.222 -5.526 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.196 -14.887 -6.002 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.801 -15.195 -6.919 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.140 -16.136 -5.547 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.554 -12.927 -2.800 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.098 -13.243 -2.876 1.00 0.16 C ATOM 1280 C GLY A 83 -2.576 -13.017 -4.294 1.00 0.16 C ATOM 1281 O GLY A 83 -1.528 -13.514 -4.657 1.00 0.23 O ATOM 0 H GLY A 83 -4.781 -12.042 -2.347 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.547 -12.617 -2.175 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -2.928 -14.278 -2.580 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.293 -12.272 -5.099 1.00 0.12 N ATOM 1286 CA GLN A 84 -2.840 -12.011 -6.502 1.00 0.15 C ATOM 1287 C GLN A 84 -2.834 -10.510 -6.768 1.00 0.12 C ATOM 1288 O GLN A 84 -3.701 -9.797 -6.321 1.00 0.13 O ATOM 1289 CB GLN A 84 -3.799 -12.687 -7.482 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.691 -14.205 -7.339 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.513 -14.872 -8.439 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.103 -15.864 -9.009 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -5.669 -14.361 -8.764 1.00 2.07 N ATOM 0 H GLN A 84 -4.177 -11.831 -4.844 1.00 0.12 H new ATOM 0 HA GLN A 84 -1.835 -12.411 -6.634 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -4.822 -12.365 -7.287 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.561 -12.390 -8.503 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.649 -14.516 -7.408 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.052 -14.517 -6.359 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -6.012 -13.528 -8.285 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.230 -14.794 -9.497 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.876 -10.031 -7.513 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.822 -8.570 -7.817 1.00 0.12 C ATOM 1304 C LYS A 85 -2.802 -8.252 -8.940 1.00 0.14 C ATOM 1305 O LYS A 85 -2.836 -8.924 -9.954 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.405 -8.186 -8.239 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.298 -6.663 -8.350 1.00 0.20 C ATOM 1308 CD LYS A 85 1.018 -6.290 -9.038 1.00 0.28 C ATOM 1309 CE LYS A 85 2.215 -6.641 -8.141 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.580 -8.076 -8.326 1.00 1.82 N ATOM 0 H LYS A 85 -1.127 -10.587 -7.925 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.095 -8.001 -6.928 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.316 -8.559 -7.512 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.161 -8.649 -9.195 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.141 -6.269 -8.918 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.343 -6.212 -7.359 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.101 -6.819 -9.988 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.027 -5.224 -9.265 1.00 0.28 H new ATOM 0 HE2 LYS A 85 3.065 -6.005 -8.388 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.967 -6.451 -7.097 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.399 -8.597 -7.444 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 2.008 -8.484 -9.093 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 3.588 -8.149 -8.570 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.610 -7.235 -8.757 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.608 -6.858 -9.803 1.00 0.18 C ATOM 1326 C VAL A 86 -4.387 -5.411 -10.254 1.00 0.17 C ATOM 1327 O VAL A 86 -5.209 -4.851 -10.952 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.022 -6.997 -9.236 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.332 -8.471 -8.959 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.136 -6.201 -7.934 1.00 0.26 C ATOM 0 H VAL A 86 -3.620 -6.648 -7.923 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.484 -7.521 -10.659 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.735 -6.610 -9.964 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.341 -8.561 -8.556 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.260 -9.038 -9.887 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.616 -8.864 -8.237 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.144 -6.302 -7.533 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.417 -6.584 -7.209 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.928 -5.149 -8.131 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.294 -4.791 -9.883 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.083 -3.381 -10.343 1.00 0.17 C ATOM 1342 C GLY A 87 -1.938 -2.698 -9.592 1.00 0.12 C ATOM 1343 O GLY A 87 -1.523 -3.124 -8.532 1.00 0.17 O ATOM 0 H GLY A 87 -2.557 -5.185 -9.298 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -2.869 -3.377 -11.412 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.001 -2.812 -10.199 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.430 -1.627 -10.155 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.310 -0.884 -9.514 1.00 0.13 C ATOM 1349 C GLU A 88 -0.151 0.496 -10.162 1.00 0.11 C ATOM 1350 O GLU A 88 -0.393 0.668 -11.340 1.00 0.14 O ATOM 1351 CB GLU A 88 0.979 -1.702 -9.685 1.00 0.21 C ATOM 1352 CG GLU A 88 2.210 -0.884 -9.267 1.00 0.58 C ATOM 1353 CD GLU A 88 2.655 0.042 -10.407 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.120 -0.083 -11.497 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.531 0.856 -10.170 1.00 1.87 O ATOM 0 H GLU A 88 -1.751 -1.236 -11.041 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.520 -0.740 -8.454 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.920 -2.610 -9.084 1.00 0.21 H new ATOM 0 HB3 GLU A 88 1.081 -2.014 -10.725 1.00 0.21 H new ATOM 0 HG2 GLU A 88 1.977 -0.293 -8.381 1.00 0.58 H new ATOM 0 HG3 GLU A 88 3.025 -1.555 -8.997 1.00 0.58 H new ATOM 1362 N PHE A 89 0.295 1.476 -9.412 1.00 0.10 N ATOM 1363 CA PHE A 89 0.512 2.832 -10.015 1.00 0.09 C ATOM 1364 C PHE A 89 1.413 3.655 -9.089 1.00 0.10 C ATOM 1365 O PHE A 89 1.570 3.346 -7.924 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.824 3.563 -10.244 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.403 4.096 -8.946 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.897 5.284 -8.402 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.451 3.427 -8.306 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.441 5.806 -7.221 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.994 3.945 -7.120 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.490 5.137 -6.579 1.00 0.14 C ATOM 0 H PHE A 89 0.516 1.399 -8.419 1.00 0.10 H new ATOM 0 HA PHE A 89 0.992 2.710 -10.986 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.673 4.388 -10.941 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.537 2.881 -10.707 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.085 5.799 -8.894 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.843 2.512 -8.724 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.051 6.724 -6.806 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.800 3.426 -6.624 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.910 5.538 -5.669 1.00 0.14 H new ATOM 1382 N SER A 90 2.020 4.690 -9.615 1.00 0.10 N ATOM 1383 CA SER A 90 2.940 5.543 -8.800 1.00 0.10 C ATOM 1384 C SER A 90 2.516 6.998 -8.894 1.00 0.09 C ATOM 1385 O SER A 90 1.745 7.380 -9.751 1.00 0.11 O ATOM 1386 CB SER A 90 4.363 5.428 -9.339 1.00 0.11 C ATOM 1387 OG SER A 90 4.382 5.861 -10.693 1.00 0.12 O ATOM 0 H SER A 90 1.916 4.984 -10.586 1.00 0.10 H new ATOM 0 HA SER A 90 2.899 5.206 -7.764 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.042 6.035 -8.740 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.710 4.397 -9.269 1.00 0.11 H new ATOM 0 HG SER A 90 5.294 5.792 -11.046 1.00 0.12 H new ATOM 1393 N GLY A 91 3.024 7.812 -8.010 1.00 0.09 N ATOM 1394 CA GLY A 91 2.675 9.263 -8.016 1.00 0.09 C ATOM 1395 C GLY A 91 2.019 9.623 -6.688 1.00 0.10 C ATOM 1396 O GLY A 91 1.265 8.853 -6.128 1.00 0.12 O ATOM 0 H GLY A 91 3.673 7.531 -7.275 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.571 9.865 -8.168 1.00 0.09 H new ATOM 0 HA3 GLY A 91 1.999 9.484 -8.842 1.00 0.09 H new ATOM 1400 N ALA A 92 2.303 10.784 -6.174 1.00 0.11 N ATOM 1401 CA ALA A 92 1.696 11.186 -4.880 1.00 0.14 C ATOM 1402 C ALA A 92 0.250 11.655 -5.115 1.00 0.13 C ATOM 1403 O ALA A 92 -0.090 12.793 -4.860 1.00 0.17 O ATOM 1404 CB ALA A 92 2.526 12.332 -4.302 1.00 0.18 C ATOM 0 H ALA A 92 2.929 11.471 -6.594 1.00 0.11 H new ATOM 0 HA ALA A 92 1.683 10.345 -4.187 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.099 12.646 -3.349 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.552 11.997 -4.147 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.520 13.172 -4.997 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.607 10.769 -5.585 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.042 11.135 -5.832 1.00 0.14 C ATOM 1412 C ASN A 93 -2.937 10.297 -4.911 1.00 0.13 C ATOM 1413 O ASN A 93 -3.260 9.163 -5.204 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.391 10.835 -7.295 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.774 11.401 -7.626 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.283 11.199 -8.711 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.410 12.106 -6.731 1.00 0.75 N ATOM 0 H ASN A 93 -0.369 9.803 -5.808 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.197 12.195 -5.629 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.642 11.273 -7.954 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.378 9.759 -7.468 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.332 12.486 -6.943 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.985 12.277 -5.820 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.338 10.851 -3.800 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.207 10.098 -2.846 1.00 0.15 C ATOM 1426 C LYS A 94 -5.610 9.875 -3.428 1.00 0.15 C ATOM 1427 O LYS A 94 -6.244 8.872 -3.167 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.312 10.903 -1.549 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.749 12.366 -1.838 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.584 13.329 -1.588 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.086 14.762 -1.707 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.955 15.701 -1.476 1.00 1.06 N ATOM 0 H LYS A 94 -3.100 11.799 -3.508 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.764 9.120 -2.658 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -5.031 10.430 -0.880 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.350 10.901 -1.036 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.087 12.454 -2.870 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.593 12.633 -1.202 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.162 13.160 -0.597 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.786 13.149 -2.309 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.515 14.928 -2.695 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.878 14.943 -0.981 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.295 16.681 -1.557 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.565 15.547 -0.524 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.213 15.532 -2.185 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.097 10.792 -4.216 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.454 10.633 -4.814 1.00 0.15 C ATOM 1448 C GLU A 95 -7.474 9.421 -5.747 1.00 0.15 C ATOM 1449 O GLU A 95 -8.490 8.780 -5.941 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.787 11.892 -5.617 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.867 13.100 -4.679 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.067 12.936 -3.744 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.055 12.368 -4.175 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -8.975 13.380 -2.610 1.00 1.55 O ATOM 0 H GLU A 95 -5.611 11.651 -4.474 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.187 10.485 -4.021 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.025 12.061 -6.378 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.735 11.762 -6.138 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.948 13.186 -4.099 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.965 14.018 -5.258 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.359 9.125 -6.340 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.274 7.978 -7.283 1.00 0.15 C ATOM 1463 C LYS A 96 -6.611 6.688 -6.537 1.00 0.14 C ATOM 1464 O LYS A 96 -7.225 5.786 -7.070 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.847 7.924 -7.810 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.744 6.972 -9.001 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.465 7.282 -9.775 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.364 6.339 -10.969 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.095 6.595 -11.699 1.00 1.45 N ATOM 0 H LYS A 96 -5.486 9.637 -6.211 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.976 8.094 -8.109 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.527 8.922 -8.108 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.174 7.596 -7.018 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.735 5.938 -8.657 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.613 7.084 -9.649 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.472 8.318 -10.114 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.596 7.164 -9.128 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.399 5.303 -10.631 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.215 6.486 -11.635 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.011 5.929 -12.493 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.094 7.569 -12.063 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.291 6.466 -11.053 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.210 6.604 -5.300 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.504 5.393 -4.490 1.00 0.13 C ATOM 1485 C LEU A 97 -8.005 5.206 -4.411 1.00 0.14 C ATOM 1486 O LEU A 97 -8.524 4.108 -4.441 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.997 5.612 -3.061 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.473 5.533 -2.999 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.015 5.998 -1.611 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -4.003 4.085 -3.252 1.00 0.19 C ATOM 0 H LEU A 97 -5.686 7.330 -4.812 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.024 4.527 -4.947 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.329 6.585 -2.700 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.430 4.862 -2.399 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.040 6.173 -3.768 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.928 5.947 -1.551 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.340 7.025 -1.446 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.451 5.352 -0.849 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.915 4.042 -3.205 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.425 3.427 -2.492 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.337 3.761 -4.238 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.700 6.283 -4.272 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.175 6.197 -4.136 1.00 0.15 C ATOM 1504 C GLU A 98 -10.799 5.592 -5.390 1.00 0.16 C ATOM 1505 O GLU A 98 -11.694 4.775 -5.310 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.737 7.600 -3.898 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.251 7.530 -3.672 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.794 8.947 -3.497 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.009 9.876 -3.594 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -13.984 9.082 -3.270 1.00 2.10 O ATOM 0 H GLU A 98 -8.314 7.227 -4.246 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.418 5.552 -3.291 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.253 8.052 -3.032 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.519 8.238 -4.755 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.736 7.043 -4.518 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.473 6.930 -2.789 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.359 5.991 -6.547 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.972 5.432 -7.786 1.00 0.17 C ATOM 1519 C ALA A 99 -10.594 3.958 -7.970 1.00 0.16 C ATOM 1520 O ALA A 99 -11.422 3.139 -8.315 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.496 6.233 -9.004 1.00 0.19 C ATOM 0 H ALA A 99 -9.612 6.670 -6.691 1.00 0.16 H new ATOM 0 HA ALA A 99 -12.056 5.504 -7.693 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.946 5.822 -9.908 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.793 7.276 -8.893 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.410 6.171 -9.078 1.00 0.19 H new ATOM 1527 N THR A 100 -9.349 3.617 -7.764 1.00 0.16 N ATOM 1528 CA THR A 100 -8.924 2.199 -7.958 1.00 0.16 C ATOM 1529 C THR A 100 -9.643 1.295 -6.945 1.00 0.15 C ATOM 1530 O THR A 100 -10.088 0.214 -7.274 1.00 0.15 O ATOM 1531 CB THR A 100 -7.407 2.097 -7.766 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.762 3.089 -8.557 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.929 0.716 -8.212 1.00 0.20 C ATOM 0 H THR A 100 -8.610 4.256 -7.471 1.00 0.16 H new ATOM 0 HA THR A 100 -9.185 1.874 -8.965 1.00 0.16 H new ATOM 0 HB THR A 100 -7.165 2.249 -6.714 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.764 3.943 -8.076 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.850 0.643 -8.076 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.423 -0.050 -7.615 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.173 0.569 -9.264 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.789 1.740 -5.724 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.507 0.907 -4.708 1.00 0.13 C ATOM 1543 C ILE A 101 -11.933 0.697 -5.200 1.00 0.14 C ATOM 1544 O ILE A 101 -12.430 -0.408 -5.257 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.537 1.657 -3.366 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.125 1.700 -2.761 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.486 0.950 -2.392 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.060 2.780 -1.675 1.00 0.16 C ATOM 0 H ILE A 101 -9.445 2.639 -5.386 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.004 -0.050 -4.572 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.889 2.674 -3.539 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.871 0.729 -2.337 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.392 1.909 -3.540 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.501 1.488 -1.444 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.491 0.929 -2.814 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.142 -0.071 -2.225 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.057 2.807 -1.249 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.295 3.750 -2.112 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.782 2.551 -0.891 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.583 1.761 -5.573 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.972 1.654 -6.090 1.00 0.20 C ATOM 1562 C ASN A 102 -13.964 0.771 -7.334 1.00 0.19 C ATOM 1563 O ASN A 102 -14.896 0.048 -7.609 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.502 3.045 -6.452 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.941 2.922 -6.952 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.186 2.364 -8.003 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.908 3.431 -6.241 1.00 0.55 N ATOM 0 H ASN A 102 -12.207 2.709 -5.541 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.617 1.219 -5.326 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.462 3.700 -5.582 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.875 3.497 -7.220 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.872 3.361 -6.567 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.701 3.899 -5.359 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.923 0.856 -8.105 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.849 0.055 -9.349 1.00 0.18 C ATOM 1576 C GLU A 103 -12.735 -1.439 -9.003 1.00 0.16 C ATOM 1577 O GLU A 103 -13.306 -2.280 -9.668 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.610 0.506 -10.130 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.668 -0.026 -11.567 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.492 -1.544 -11.578 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.607 -2.025 -10.892 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -12.244 -2.203 -12.279 1.00 2.04 O ATOM 0 H GLU A 103 -12.114 1.451 -7.925 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.748 0.202 -9.948 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.553 1.594 -10.139 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.708 0.144 -9.636 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.622 0.240 -12.022 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.887 0.442 -12.167 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.992 -1.778 -7.974 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.830 -3.223 -7.591 1.00 0.14 C ATOM 1591 C LEU A 104 -12.761 -3.603 -6.428 1.00 0.13 C ATOM 1592 O LEU A 104 -12.807 -4.750 -6.026 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.384 -3.475 -7.152 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.414 -3.280 -8.326 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.976 -3.269 -7.795 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.573 -4.419 -9.350 1.00 0.25 C ATOM 0 H LEU A 104 -11.490 -1.117 -7.381 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.084 -3.829 -8.461 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.122 -2.795 -6.341 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.290 -4.488 -6.761 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.638 -2.333 -8.817 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.283 -3.131 -8.625 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.857 -2.452 -7.083 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.764 -4.216 -7.299 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.878 -4.266 -10.176 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.359 -5.373 -8.869 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.594 -4.425 -9.731 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.488 -2.674 -5.868 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.380 -3.041 -4.724 1.00 0.15 C ATOM 1610 C VAL A 105 -15.458 -4.013 -5.218 1.00 0.16 C ATOM 1611 O VAL A 105 -15.981 -4.754 -4.401 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.048 -1.783 -4.140 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.164 -1.292 -5.072 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.646 -2.117 -2.768 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.741 -4.000 -6.404 1.00 1.08 O ATOM 0 H VAL A 105 -13.506 -1.692 -6.145 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.783 -3.514 -3.944 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.298 -0.998 -4.039 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.628 -0.402 -4.647 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.743 -1.051 -6.048 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.915 -2.074 -5.184 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.120 -1.228 -2.352 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.389 -2.907 -2.878 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.855 -2.454 -2.098 1.00 0.19 H new ATOM 1683 N LYS B 63 6.824 15.047 -6.009 1.00 0.19 N ATOM 1684 CA LYS B 63 5.703 14.065 -5.998 1.00 0.14 C ATOM 1685 C LYS B 63 6.268 12.643 -5.901 1.00 0.12 C ATOM 1686 O LYS B 63 5.568 11.719 -5.531 1.00 0.12 O ATOM 1687 CB LYS B 63 4.919 14.203 -7.307 1.00 0.17 C ATOM 1688 CG LYS B 63 4.352 15.624 -7.436 1.00 0.20 C ATOM 1689 CD LYS B 63 3.392 15.945 -6.275 1.00 0.40 C ATOM 1690 CE LYS B 63 2.436 17.070 -6.692 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.432 17.321 -5.616 1.00 1.31 N ATOM 0 HA LYS B 63 5.052 14.256 -5.145 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.569 13.984 -8.154 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.107 13.476 -7.332 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.169 16.345 -7.447 1.00 0.20 H new ATOM 0 HG3 LYS B 63 3.826 15.724 -8.385 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.825 15.055 -6.002 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.959 16.244 -5.393 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.000 17.981 -6.892 1.00 0.35 H new ATOM 0 HE3 LYS B 63 1.928 16.800 -7.618 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.791 18.085 -5.911 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 0.883 16.455 -5.445 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.922 17.599 -4.742 1.00 1.31 H new ATOM 1705 N ILE B 64 7.525 12.467 -6.245 1.00 0.11 N ATOM 1706 CA ILE B 64 8.170 11.104 -6.194 1.00 0.11 C ATOM 1707 C ILE B 64 9.517 11.173 -5.438 1.00 0.10 C ATOM 1708 O ILE B 64 10.290 12.093 -5.620 1.00 0.11 O ATOM 1709 CB ILE B 64 8.458 10.627 -7.628 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.156 10.409 -8.416 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.247 9.317 -7.595 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.238 9.406 -7.695 1.00 0.15 C ATOM 0 H ILE B 64 8.141 13.215 -6.563 1.00 0.11 H new ATOM 0 HA ILE B 64 7.493 10.420 -5.682 1.00 0.11 H new ATOM 0 HB ILE B 64 9.042 11.402 -8.125 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.637 11.360 -8.539 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.389 10.042 -9.416 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.446 8.987 -8.614 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.191 9.474 -7.073 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.667 8.556 -7.074 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.324 9.269 -8.273 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.751 8.449 -7.596 1.00 0.15 H new ATOM 0 HD13 ILE B 64 5.988 9.788 -6.705 1.00 0.15 H new ATOM 1724 N CYS B 65 9.823 10.186 -4.619 1.00 0.09 N ATOM 1725 CA CYS B 65 11.144 10.172 -3.905 1.00 0.10 C ATOM 1726 C CYS B 65 12.087 9.256 -4.696 1.00 0.10 C ATOM 1727 O CYS B 65 11.763 8.120 -4.977 1.00 0.11 O ATOM 1728 CB CYS B 65 10.998 9.617 -2.477 1.00 0.10 C ATOM 1729 SG CYS B 65 9.740 10.539 -1.558 1.00 0.19 S ATOM 0 H CYS B 65 9.215 9.393 -4.416 1.00 0.09 H new ATOM 0 HA CYS B 65 11.530 11.189 -3.837 1.00 0.10 H new ATOM 0 HB2 CYS B 65 10.726 8.562 -2.517 1.00 0.10 H new ATOM 0 HB3 CYS B 65 11.954 9.680 -1.957 1.00 0.10 H new ATOM 1734 N SER B 66 13.236 9.740 -5.085 1.00 0.12 N ATOM 1735 CA SER B 66 14.169 8.888 -5.892 1.00 0.14 C ATOM 1736 C SER B 66 14.920 7.876 -5.011 1.00 0.14 C ATOM 1737 O SER B 66 15.287 8.155 -3.885 1.00 0.15 O ATOM 1738 CB SER B 66 15.195 9.781 -6.588 1.00 0.18 C ATOM 1739 OG SER B 66 14.532 10.656 -7.491 1.00 0.20 O ATOM 0 H SER B 66 13.571 10.682 -4.883 1.00 0.12 H new ATOM 0 HA SER B 66 13.572 8.339 -6.620 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.751 10.358 -5.849 1.00 0.18 H new ATOM 0 HB3 SER B 66 15.920 9.169 -7.125 1.00 0.18 H new ATOM 0 HG SER B 66 15.192 11.229 -7.935 1.00 0.20 H new ATOM 1745 N TRP B 67 15.174 6.707 -5.541 1.00 0.15 N ATOM 1746 CA TRP B 67 15.920 5.666 -4.771 1.00 0.16 C ATOM 1747 C TRP B 67 17.410 6.023 -4.765 1.00 0.19 C ATOM 1748 O TRP B 67 18.188 5.464 -4.022 1.00 0.21 O ATOM 1749 CB TRP B 67 15.703 4.289 -5.420 1.00 0.16 C ATOM 1750 CG TRP B 67 14.282 3.875 -5.193 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.210 4.572 -5.626 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.749 2.707 -4.494 1.00 0.14 C ATOM 1753 NE1 TRP B 67 12.066 3.918 -5.233 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.343 2.771 -4.531 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.336 1.614 -3.834 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.550 1.797 -3.935 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.539 0.627 -3.238 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.149 0.723 -3.287 1.00 0.16 C ATOM 0 H TRP B 67 14.895 6.427 -6.481 1.00 0.15 H new ATOM 0 HA TRP B 67 15.555 5.628 -3.745 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.918 4.335 -6.488 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.385 3.556 -4.989 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.245 5.493 -6.189 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.123 4.246 -5.439 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.412 1.534 -3.786 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.474 1.874 -3.975 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.003 -0.211 -2.739 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.538 -0.037 -2.822 1.00 0.16 H new ATOM 1769 N ASN B 68 17.814 6.964 -5.582 1.00 0.23 N ATOM 1770 CA ASN B 68 19.253 7.355 -5.610 1.00 0.27 C ATOM 1771 C ASN B 68 19.704 7.646 -4.179 1.00 0.26 C ATOM 1772 O ASN B 68 20.880 7.754 -3.895 1.00 0.30 O ATOM 1773 CB ASN B 68 19.431 8.624 -6.456 1.00 0.34 C ATOM 1774 CG ASN B 68 19.185 8.312 -7.936 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.366 9.163 -8.784 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.772 7.123 -8.285 1.00 0.40 N ATOM 0 H ASN B 68 17.211 7.475 -6.227 1.00 0.23 H new ATOM 0 HA ASN B 68 19.845 6.548 -6.042 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.738 9.395 -6.119 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.438 9.020 -6.323 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.602 6.910 -9.268 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.619 6.407 -7.575 1.00 0.40 H new