USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 39 TYR OH : rot -31:sc= -0.457 USER MOD Set 1.2: C 50 HIS : no HE2:sc= -0.902 K(o=-1.4,f=-2.6) USER MOD Set 2.1: B 23 ASN : amide:sc= -4.38! C(o=-12!,f=-9.2!) USER MOD Set 2.2: B 26 GLN : amide:sc= -5.05! K(o=-12!,f=-4.7) USER MOD Set 2.3: B 55 GLN : amide:sc= -2.27 K(o=-12,f=-4.7) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.78! X(o=-2.8!,f=-2.9) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.06 K(o=-2.8,f=-1.8) USER MOD Single : A 18 TYR OH : rot 180:sc= -3.44! USER MOD Single : A 23 ASN : amide:sc= -3.58! C(o=-3.6!,f=-15!) USER MOD Single : A 26 GLN : amide:sc= -2.78! K(o=-2.8!,f=-1.4) USER MOD Single : A 32 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 33 SER OG : rot 77:sc= 0.00226 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -3.23! C(o=-3.2!,f=-2.4!) USER MOD Single : A 41 SER OG : rot -82:sc= 0.977 USER MOD Single : A 43 ASN : amide:sc= -2.89! K(o=-2.9!,f=-0.35) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= 0.442 (180deg=0.0737) USER MOD Single : A 55 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.8) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc= -2.78 K(o=-2.8,f=-3.4) USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 33 SER OG : rot 72:sc= 0.297 USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.19) USER MOD Single : B 41 SER OG : rot -143:sc= 0.589 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 157:sc= -0.294 (180deg=-0.675) USER MOD Single : B 50 LYS NZ :NH3+ -173:sc= -0.0102 (180deg=-0.11) USER MOD Single : B 52 ASN : amide:sc= -0.081 X(o=-0.081,f=-0.023) USER MOD Single : C 42 SER OG : rot 180:sc= -0.55 USER MOD Single : C 43 LYS NZ :NH3+ 154:sc= -0.135 (180deg=-0.405) USER MOD Single : C 44 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : C 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0228) USER MOD Single : C 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLU A 15 -7.636 -1.636 -10.579 1.00 0.31 N ATOM 23 CA GLU A 15 -7.323 -0.244 -10.867 1.00 0.18 C ATOM 24 C GLU A 15 -6.778 0.435 -9.624 1.00 0.13 C ATOM 25 O GLU A 15 -7.176 0.120 -8.503 1.00 0.17 O ATOM 26 CB GLU A 15 -8.554 0.484 -11.409 1.00 0.24 C ATOM 27 CG GLU A 15 -9.559 0.905 -10.357 1.00 0.30 C ATOM 28 CD GLU A 15 -10.739 1.638 -10.954 1.00 0.58 C ATOM 29 OE1 GLU A 15 -10.552 2.774 -11.443 1.00 0.94 O ATOM 30 OE2 GLU A 15 -11.863 1.086 -10.933 1.00 1.58 O ATOM 0 HA GLU A 15 -6.554 -0.206 -11.638 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -8.225 1.370 -11.952 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -9.053 -0.164 -12.130 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -9.914 0.024 -9.823 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -9.068 1.546 -9.624 1.00 0.30 H new ATOM 37 N ILE A 16 -5.864 1.364 -9.823 1.00 0.12 N ATOM 38 CA ILE A 16 -5.099 1.909 -8.719 1.00 0.11 C ATOM 39 C ILE A 16 -5.657 3.233 -8.230 1.00 0.10 C ATOM 40 O ILE A 16 -6.211 4.023 -8.995 1.00 0.14 O ATOM 41 CB ILE A 16 -3.624 2.129 -9.099 1.00 0.12 C ATOM 42 CG1 ILE A 16 -3.068 0.908 -9.829 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.803 2.415 -7.849 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.494 -0.131 -8.911 1.00 0.12 C ATOM 0 H ILE A 16 -5.633 1.756 -10.736 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.172 1.168 -7.923 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.561 2.986 -9.769 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -3.863 0.457 -10.423 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.295 1.232 -10.526 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.760 2.570 -8.126 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.185 3.311 -7.360 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.875 1.569 -7.165 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.118 -0.968 -9.499 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.677 0.304 -8.335 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.269 -0.484 -8.231 1.00 0.12 H new ATOM 56 N PHE A 17 -5.496 3.442 -6.939 1.00 0.09 N ATOM 57 CA PHE A 17 -5.818 4.691 -6.281 1.00 0.09 C ATOM 58 C PHE A 17 -4.739 4.994 -5.252 1.00 0.07 C ATOM 59 O PHE A 17 -4.645 4.310 -4.243 1.00 0.07 O ATOM 60 CB PHE A 17 -7.183 4.580 -5.604 1.00 0.09 C ATOM 61 CG PHE A 17 -8.315 4.456 -6.580 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.822 5.576 -7.218 1.00 1.24 C ATOM 63 CD2 PHE A 17 -8.865 3.217 -6.870 1.00 1.11 C ATOM 64 CE1 PHE A 17 -9.857 5.465 -8.124 1.00 1.28 C ATOM 65 CE2 PHE A 17 -9.899 3.100 -7.775 1.00 1.09 C ATOM 66 CZ PHE A 17 -10.396 4.224 -8.403 1.00 0.22 C ATOM 0 H PHE A 17 -5.130 2.732 -6.305 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.860 5.499 -7.011 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.185 3.713 -4.943 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.344 5.458 -4.979 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -8.402 6.548 -7.004 1.00 1.24 H new ATOM 0 HD2 PHE A 17 -8.480 2.334 -6.382 1.00 1.11 H new ATOM 0 HE1 PHE A 17 -10.245 6.346 -8.614 1.00 1.28 H new ATOM 0 HE2 PHE A 17 -10.320 2.129 -7.992 1.00 1.09 H new ATOM 0 HZ PHE A 17 -11.206 4.133 -9.112 1.00 0.22 H new ATOM 76 N TYR A 18 -3.894 5.978 -5.523 1.00 0.07 N ATOM 77 CA TYR A 18 -2.805 6.297 -4.607 1.00 0.06 C ATOM 78 C TYR A 18 -3.284 7.199 -3.482 1.00 0.07 C ATOM 79 O TYR A 18 -4.095 8.102 -3.697 1.00 0.09 O ATOM 80 CB TYR A 18 -1.642 6.965 -5.341 1.00 0.06 C ATOM 81 CG TYR A 18 -1.153 6.175 -6.530 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.289 5.095 -6.373 1.00 1.15 C ATOM 83 CD2 TYR A 18 -1.568 6.505 -7.809 1.00 1.19 C ATOM 84 CE1 TYR A 18 0.150 4.369 -7.465 1.00 1.16 C ATOM 85 CE2 TYR A 18 -1.141 5.789 -8.905 1.00 1.20 C ATOM 86 CZ TYR A 18 -0.283 4.724 -8.733 1.00 0.09 C ATOM 87 OH TYR A 18 0.134 4.013 -9.832 1.00 0.10 O ATOM 0 H TYR A 18 -3.938 6.563 -6.357 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.456 5.356 -4.181 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.953 7.955 -5.675 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.816 7.108 -4.644 1.00 0.06 H new ATOM 0 HD1 TYR A 18 0.044 4.820 -5.383 1.00 1.15 H new ATOM 0 HD2 TYR A 18 -2.239 7.339 -7.950 1.00 1.19 H new ATOM 0 HE1 TYR A 18 0.823 3.535 -7.331 1.00 1.16 H new ATOM 0 HE2 TYR A 18 -1.477 6.061 -9.895 1.00 1.20 H new ATOM 0 HH TYR A 18 -0.266 4.396 -10.641 1.00 0.10 H new ATOM 97 N LEU A 19 -2.777 6.951 -2.279 1.00 0.07 N ATOM 98 CA LEU A 19 -3.107 7.770 -1.128 1.00 0.08 C ATOM 99 C LEU A 19 -1.823 8.298 -0.506 1.00 0.11 C ATOM 100 O LEU A 19 -1.457 7.899 0.596 1.00 0.12 O ATOM 101 CB LEU A 19 -3.864 6.975 -0.053 1.00 0.07 C ATOM 102 CG LEU A 19 -5.159 6.257 -0.466 1.00 0.07 C ATOM 103 CD1 LEU A 19 -6.083 7.178 -1.239 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.870 4.993 -1.250 1.00 0.08 C ATOM 0 H LEU A 19 -2.134 6.185 -2.080 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.746 8.582 -1.476 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.182 6.227 0.352 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.106 7.659 0.760 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.671 5.967 0.451 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -6.988 6.637 -1.515 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.347 8.034 -0.618 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.579 7.526 -2.141 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.809 4.513 -1.525 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.313 5.244 -2.153 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.280 4.312 -0.637 1.00 0.08 H new ATOM 116 N PRO A 20 -1.134 9.225 -1.180 1.00 0.13 N ATOM 117 CA PRO A 20 0.156 9.730 -0.710 1.00 0.16 C ATOM 118 C PRO A 20 0.002 10.752 0.397 1.00 0.22 C ATOM 119 O PRO A 20 0.973 11.363 0.842 1.00 0.28 O ATOM 120 CB PRO A 20 0.730 10.393 -1.945 1.00 0.16 C ATOM 121 CG PRO A 20 -0.462 10.875 -2.700 1.00 0.16 C ATOM 122 CD PRO A 20 -1.547 9.866 -2.444 1.00 0.13 C ATOM 0 HA PRO A 20 0.779 8.939 -0.292 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.392 11.217 -1.681 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.316 9.690 -2.536 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.763 11.867 -2.363 1.00 0.16 H new ATOM 0 HG3 PRO A 20 -0.244 10.953 -3.765 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.523 10.342 -2.352 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.621 9.142 -3.255 1.00 0.13 H new ATOM 130 N ASN A 21 -1.224 10.923 0.845 1.00 0.22 N ATOM 131 CA ASN A 21 -1.526 11.947 1.825 1.00 0.27 C ATOM 132 C ASN A 21 -1.650 11.314 3.184 1.00 0.25 C ATOM 133 O ASN A 21 -1.354 11.922 4.209 1.00 0.31 O ATOM 134 CB ASN A 21 -2.828 12.658 1.462 1.00 0.30 C ATOM 135 CG ASN A 21 -2.711 13.465 0.184 1.00 0.54 C ATOM 136 OD1 ASN A 21 -1.638 13.958 -0.159 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.816 13.617 -0.523 1.00 0.35 N ATOM 0 H ASN A 21 -2.026 10.368 0.548 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.720 12.681 1.837 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -3.622 11.920 1.351 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -3.118 13.318 2.280 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -3.798 14.159 -1.387 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -4.687 13.192 -0.205 1.00 0.35 H new ATOM 144 N LEU A 22 -2.038 10.061 3.161 1.00 0.18 N ATOM 145 CA LEU A 22 -2.378 9.332 4.366 1.00 0.17 C ATOM 146 C LEU A 22 -1.097 8.827 5.020 1.00 0.20 C ATOM 147 O LEU A 22 -0.158 8.431 4.328 1.00 0.35 O ATOM 148 CB LEU A 22 -3.320 8.180 3.982 1.00 0.14 C ATOM 149 CG LEU A 22 -4.464 8.608 3.054 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.490 7.505 2.850 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.128 9.860 3.583 1.00 0.11 C ATOM 0 H LEU A 22 -2.128 9.514 2.305 1.00 0.18 H new ATOM 0 HA LEU A 22 -2.889 9.970 5.087 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.741 7.395 3.494 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.741 7.748 4.890 1.00 0.14 H new ATOM 0 HG LEU A 22 -4.026 8.818 2.078 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.278 7.859 2.186 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -5.006 6.635 2.407 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -5.923 7.229 3.811 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -5.938 10.152 2.915 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.530 9.666 4.577 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.395 10.665 3.639 1.00 0.11 H new ATOM 163 N ASN A 23 -1.028 8.889 6.341 1.00 0.17 N ATOM 164 CA ASN A 23 0.163 8.440 7.046 1.00 0.20 C ATOM 165 C ASN A 23 0.179 6.916 7.137 1.00 0.24 C ATOM 166 O ASN A 23 -0.852 6.281 6.904 1.00 0.34 O ATOM 167 CB ASN A 23 0.276 9.105 8.433 1.00 0.33 C ATOM 168 CG ASN A 23 -0.277 8.291 9.588 1.00 0.66 C ATOM 169 OD1 ASN A 23 -1.268 7.578 9.470 1.00 1.47 O ATOM 170 ND2 ASN A 23 0.388 8.394 10.720 1.00 0.99 N ATOM 0 H ASN A 23 -1.774 9.242 6.941 1.00 0.17 H new ATOM 0 HA ASN A 23 1.041 8.749 6.479 1.00 0.20 H new ATOM 0 HB2 ASN A 23 1.326 9.319 8.631 1.00 0.33 H new ATOM 0 HB3 ASN A 23 -0.244 10.062 8.402 1.00 0.33 H new ATOM 0 HD21 ASN A 23 0.083 7.869 11.540 1.00 0.99 H new ATOM 0 HD22 ASN A 23 1.208 8.998 10.777 1.00 0.99 H new ATOM 177 N PRO A 24 1.344 6.310 7.433 1.00 0.22 N ATOM 178 CA PRO A 24 1.489 4.852 7.540 1.00 0.23 C ATOM 179 C PRO A 24 0.337 4.182 8.286 1.00 0.23 C ATOM 180 O PRO A 24 -0.158 3.136 7.868 1.00 0.23 O ATOM 181 CB PRO A 24 2.786 4.716 8.332 1.00 0.25 C ATOM 182 CG PRO A 24 3.604 5.865 7.867 1.00 0.24 C ATOM 183 CD PRO A 24 2.633 6.996 7.670 1.00 0.22 C ATOM 0 HA PRO A 24 1.492 4.367 6.564 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.606 4.761 9.406 1.00 0.25 H new ATOM 0 HB3 PRO A 24 3.280 3.765 8.131 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.367 6.126 8.601 1.00 0.24 H new ATOM 0 HG3 PRO A 24 4.123 5.627 6.938 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.588 7.643 8.546 1.00 0.22 H new ATOM 0 HD3 PRO A 24 2.915 7.624 6.825 1.00 0.22 H new ATOM 191 N ASP A 25 -0.111 4.810 9.364 1.00 0.22 N ATOM 192 CA ASP A 25 -1.160 4.233 10.199 1.00 0.23 C ATOM 193 C ASP A 25 -2.477 4.171 9.437 1.00 0.24 C ATOM 194 O ASP A 25 -3.156 3.148 9.443 1.00 0.27 O ATOM 195 CB ASP A 25 -1.339 5.034 11.487 1.00 0.28 C ATOM 196 CG ASP A 25 -2.375 4.418 12.408 1.00 0.97 C ATOM 197 OD1 ASP A 25 -2.051 3.424 13.096 1.00 1.66 O ATOM 198 OD2 ASP A 25 -3.515 4.927 12.458 1.00 1.67 O ATOM 0 H ASP A 25 0.233 5.716 9.682 1.00 0.22 H new ATOM 0 HA ASP A 25 -0.856 3.220 10.463 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -0.384 5.097 12.009 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -1.636 6.053 11.240 1.00 0.28 H new ATOM 203 N GLN A 26 -2.819 5.268 8.772 1.00 0.23 N ATOM 204 CA GLN A 26 -4.020 5.333 7.947 1.00 0.25 C ATOM 205 C GLN A 26 -3.948 4.296 6.840 1.00 0.25 C ATOM 206 O GLN A 26 -4.875 3.511 6.636 1.00 0.26 O ATOM 207 CB GLN A 26 -4.135 6.710 7.310 1.00 0.26 C ATOM 208 CG GLN A 26 -3.945 7.846 8.286 1.00 0.29 C ATOM 209 CD GLN A 26 -5.155 8.090 9.158 1.00 0.31 C ATOM 210 OE1 GLN A 26 -5.295 7.508 10.234 1.00 0.59 O ATOM 211 NE2 GLN A 26 -6.032 8.966 8.704 1.00 0.21 N ATOM 0 H GLN A 26 -2.277 6.132 8.788 1.00 0.23 H new ATOM 0 HA GLN A 26 -4.886 5.140 8.581 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.393 6.797 6.516 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.115 6.804 6.842 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -3.085 7.631 8.921 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.714 8.757 7.733 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -5.876 9.425 7.807 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -6.865 9.184 9.251 1.00 0.21 H new ATOM 220 N LEU A 27 -2.831 4.328 6.121 1.00 0.24 N ATOM 221 CA LEU A 27 -2.568 3.378 5.042 1.00 0.25 C ATOM 222 C LEU A 27 -2.705 1.934 5.529 1.00 0.23 C ATOM 223 O LEU A 27 -3.348 1.112 4.875 1.00 0.25 O ATOM 224 CB LEU A 27 -1.165 3.615 4.443 1.00 0.28 C ATOM 225 CG LEU A 27 -1.116 4.262 3.057 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.439 4.129 2.321 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.706 5.711 3.155 1.00 0.23 C ATOM 0 H LEU A 27 -2.085 5.008 6.267 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.313 3.541 4.263 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.601 4.243 5.133 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.650 2.656 4.390 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.364 3.726 2.478 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.360 4.602 1.342 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.681 3.074 2.196 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.226 4.616 2.897 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.678 6.150 2.157 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -1.426 6.252 3.769 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.283 5.780 3.609 1.00 0.23 H new ATOM 239 N CYS A 28 -2.125 1.637 6.683 1.00 0.21 N ATOM 240 CA CYS A 28 -2.206 0.299 7.258 1.00 0.22 C ATOM 241 C CYS A 28 -3.637 -0.038 7.655 1.00 0.21 C ATOM 242 O CYS A 28 -4.137 -1.129 7.361 1.00 0.22 O ATOM 243 CB CYS A 28 -1.299 0.188 8.483 1.00 0.26 C ATOM 244 SG CYS A 28 -1.222 -1.489 9.195 1.00 0.32 S ATOM 0 H CYS A 28 -1.592 2.304 7.241 1.00 0.21 H new ATOM 0 HA CYS A 28 -1.876 -0.410 6.499 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.292 0.502 8.207 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.651 0.881 9.247 1.00 0.26 H new ATOM 249 N ALA A 29 -4.296 0.912 8.312 1.00 0.21 N ATOM 250 CA ALA A 29 -5.647 0.716 8.809 1.00 0.22 C ATOM 251 C ALA A 29 -6.614 0.397 7.682 1.00 0.17 C ATOM 252 O ALA A 29 -7.583 -0.339 7.886 1.00 0.18 O ATOM 253 CB ALA A 29 -6.118 1.943 9.568 1.00 0.24 C ATOM 0 H ALA A 29 -3.908 1.834 8.512 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.627 -0.137 9.488 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -7.132 1.778 9.933 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.454 2.126 10.413 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -6.107 2.808 8.904 1.00 0.24 H new ATOM 259 N PHE A 30 -6.352 0.941 6.493 1.00 0.13 N ATOM 260 CA PHE A 30 -7.221 0.697 5.356 1.00 0.10 C ATOM 261 C PHE A 30 -7.332 -0.802 5.093 1.00 0.09 C ATOM 262 O PHE A 30 -8.422 -1.361 5.190 1.00 0.09 O ATOM 263 CB PHE A 30 -6.694 1.461 4.114 1.00 0.10 C ATOM 264 CG PHE A 30 -7.167 0.958 2.759 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.336 0.223 2.617 1.00 1.18 C ATOM 266 CD2 PHE A 30 -6.416 1.213 1.621 1.00 1.16 C ATOM 267 CE1 PHE A 30 -8.739 -0.246 1.382 1.00 1.18 C ATOM 268 CE2 PHE A 30 -6.822 0.748 0.386 1.00 1.15 C ATOM 269 CZ PHE A 30 -7.980 0.020 0.269 1.00 0.06 C ATOM 0 H PHE A 30 -5.554 1.545 6.299 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.222 1.069 5.576 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -6.982 2.508 4.209 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.605 1.428 4.129 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -8.941 0.014 3.487 1.00 1.18 H new ATOM 0 HD2 PHE A 30 -5.502 1.783 1.702 1.00 1.16 H new ATOM 0 HE1 PHE A 30 -9.649 -0.821 1.292 1.00 1.18 H new ATOM 0 HE2 PHE A 30 -6.227 0.958 -0.491 1.00 1.15 H new ATOM 0 HZ PHE A 30 -8.294 -0.343 -0.698 1.00 0.06 H new ATOM 279 N PHE A 31 -6.212 -1.471 4.863 1.00 0.10 N ATOM 280 CA PHE A 31 -6.257 -2.881 4.495 1.00 0.10 C ATOM 281 C PHE A 31 -6.529 -3.745 5.711 1.00 0.11 C ATOM 282 O PHE A 31 -6.936 -4.889 5.582 1.00 0.12 O ATOM 283 CB PHE A 31 -4.971 -3.354 3.823 1.00 0.11 C ATOM 284 CG PHE A 31 -4.495 -2.481 2.695 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.701 -1.372 2.936 1.00 0.94 C ATOM 286 CD2 PHE A 31 -4.838 -2.781 1.389 1.00 0.98 C ATOM 287 CE1 PHE A 31 -3.262 -0.577 1.895 1.00 0.94 C ATOM 288 CE2 PHE A 31 -4.401 -1.993 0.342 1.00 0.98 C ATOM 289 CZ PHE A 31 -3.612 -0.888 0.594 1.00 0.12 C ATOM 0 H PHE A 31 -5.276 -1.071 4.923 1.00 0.10 H new ATOM 0 HA PHE A 31 -7.070 -2.983 3.776 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.184 -3.414 4.575 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -5.126 -4.364 3.443 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.422 -1.126 3.950 1.00 0.94 H new ATOM 0 HD2 PHE A 31 -5.456 -3.643 1.185 1.00 0.98 H new ATOM 0 HE1 PHE A 31 -2.646 0.287 2.097 1.00 0.94 H new ATOM 0 HE2 PHE A 31 -4.676 -2.241 -0.673 1.00 0.98 H new ATOM 0 HZ PHE A 31 -3.270 -0.269 -0.222 1.00 0.12 H new ATOM 299 N HIS A 32 -6.280 -3.203 6.891 1.00 0.11 N ATOM 300 CA HIS A 32 -6.477 -3.956 8.123 1.00 0.12 C ATOM 301 C HIS A 32 -7.956 -4.294 8.297 1.00 0.12 C ATOM 302 O HIS A 32 -8.306 -5.368 8.778 1.00 0.15 O ATOM 303 CB HIS A 32 -5.953 -3.170 9.331 1.00 0.15 C ATOM 304 CG HIS A 32 -5.945 -3.961 10.606 1.00 0.23 C ATOM 305 ND1 HIS A 32 -6.244 -3.414 11.832 1.00 1.09 N ATOM 306 CD2 HIS A 32 -5.663 -5.267 10.840 1.00 1.05 C ATOM 307 CE1 HIS A 32 -6.149 -4.343 12.762 1.00 0.81 C ATOM 308 NE2 HIS A 32 -5.798 -5.478 12.188 1.00 0.65 N ATOM 0 H HIS A 32 -5.943 -2.250 7.024 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.911 -4.886 8.058 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -4.940 -2.828 9.119 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.568 -2.280 9.469 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -5.384 -6.004 10.101 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -6.328 -4.199 13.817 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -5.651 -6.366 12.668 1.00 0.65 H new ATOM 317 N SER A 33 -8.810 -3.368 7.890 1.00 0.11 N ATOM 318 CA SER A 33 -10.246 -3.595 7.892 1.00 0.13 C ATOM 319 C SER A 33 -10.611 -4.503 6.726 1.00 0.12 C ATOM 320 O SER A 33 -11.426 -5.416 6.843 1.00 0.14 O ATOM 321 CB SER A 33 -10.991 -2.262 7.769 1.00 0.15 C ATOM 322 OG SER A 33 -10.628 -1.375 8.815 1.00 0.22 O ATOM 0 H SER A 33 -8.531 -2.447 7.552 1.00 0.11 H new ATOM 0 HA SER A 33 -10.535 -4.070 8.829 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.767 -1.804 6.806 1.00 0.15 H new ATOM 0 HB3 SER A 33 -12.066 -2.439 7.795 1.00 0.15 H new ATOM 0 HG SER A 33 -9.749 -0.985 8.623 1.00 0.22 H new ATOM 328 N VAL A 34 -9.967 -4.225 5.605 1.00 0.10 N ATOM 329 CA VAL A 34 -10.198 -4.931 4.355 1.00 0.11 C ATOM 330 C VAL A 34 -9.863 -6.407 4.454 1.00 0.13 C ATOM 331 O VAL A 34 -10.654 -7.258 4.092 1.00 0.15 O ATOM 332 CB VAL A 34 -9.333 -4.347 3.228 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.606 -5.061 1.944 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.555 -2.872 3.057 1.00 0.08 C ATOM 0 H VAL A 34 -9.260 -3.493 5.536 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.260 -4.810 4.140 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.290 -4.492 3.508 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -8.987 -4.637 1.153 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.373 -6.120 2.060 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.658 -4.947 1.681 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.924 -2.500 2.250 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.601 -2.687 2.814 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.301 -2.356 3.983 1.00 0.08 H new ATOM 344 N HIS A 35 -8.670 -6.692 4.917 1.00 0.14 N ATOM 345 CA HIS A 35 -8.152 -8.052 4.923 1.00 0.17 C ATOM 346 C HIS A 35 -8.975 -8.961 5.827 1.00 0.18 C ATOM 347 O HIS A 35 -9.042 -10.172 5.608 1.00 0.21 O ATOM 348 CB HIS A 35 -6.676 -8.046 5.312 1.00 0.20 C ATOM 349 CG HIS A 35 -6.049 -9.409 5.376 1.00 0.36 C ATOM 350 ND1 HIS A 35 -5.536 -9.947 6.540 1.00 1.40 N ATOM 351 CD2 HIS A 35 -5.849 -10.343 4.415 1.00 0.85 C ATOM 352 CE1 HIS A 35 -5.051 -11.149 6.290 1.00 1.25 C ATOM 353 NE2 HIS A 35 -5.229 -11.412 5.009 1.00 0.55 N ATOM 0 H HIS A 35 -8.029 -5.997 5.300 1.00 0.14 H new ATOM 0 HA HIS A 35 -8.236 -8.460 3.916 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -6.125 -7.439 4.594 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.570 -7.564 6.284 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -6.126 -10.261 3.374 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -4.587 -11.806 7.011 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -4.950 -12.272 4.537 1.00 0.55 H new ATOM 362 N ASP A 36 -9.583 -8.378 6.849 1.00 0.17 N ATOM 363 CA ASP A 36 -10.492 -9.117 7.718 1.00 0.18 C ATOM 364 C ASP A 36 -11.684 -9.641 6.920 1.00 0.19 C ATOM 365 O ASP A 36 -12.268 -10.674 7.250 1.00 0.21 O ATOM 366 CB ASP A 36 -10.977 -8.234 8.872 1.00 0.20 C ATOM 367 CG ASP A 36 -11.959 -8.946 9.785 1.00 0.65 C ATOM 368 OD1 ASP A 36 -11.516 -9.752 10.632 1.00 1.51 O ATOM 369 OD2 ASP A 36 -13.177 -8.690 9.675 1.00 1.26 O ATOM 0 H ASP A 36 -9.465 -7.396 7.099 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.949 -9.965 8.136 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -10.118 -7.904 9.457 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -11.449 -7.339 8.465 1.00 0.20 H new ATOM 374 N ASP A 37 -12.000 -8.944 5.840 1.00 0.19 N ATOM 375 CA ASP A 37 -13.193 -9.231 5.048 1.00 0.24 C ATOM 376 C ASP A 37 -13.155 -8.427 3.756 1.00 0.23 C ATOM 377 O ASP A 37 -13.629 -7.296 3.703 1.00 0.25 O ATOM 378 CB ASP A 37 -14.451 -8.882 5.838 1.00 0.31 C ATOM 379 CG ASP A 37 -15.719 -9.307 5.130 1.00 0.53 C ATOM 380 OD1 ASP A 37 -16.269 -8.506 4.342 1.00 1.28 O ATOM 381 OD2 ASP A 37 -16.181 -10.444 5.372 1.00 1.18 O ATOM 0 H ASP A 37 -11.442 -8.167 5.486 1.00 0.19 H new ATOM 0 HA ASP A 37 -13.212 -10.295 4.812 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -14.407 -9.362 6.816 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.480 -7.806 6.012 1.00 0.31 H new ATOM 386 N PRO A 38 -12.568 -8.994 2.698 1.00 0.23 N ATOM 387 CA PRO A 38 -12.269 -8.265 1.452 1.00 0.25 C ATOM 388 C PRO A 38 -13.504 -7.751 0.704 1.00 0.29 C ATOM 389 O PRO A 38 -13.376 -7.156 -0.364 1.00 0.34 O ATOM 390 CB PRO A 38 -11.514 -9.304 0.612 1.00 0.28 C ATOM 391 CG PRO A 38 -11.021 -10.294 1.611 1.00 0.28 C ATOM 392 CD PRO A 38 -12.115 -10.388 2.623 1.00 0.26 C ATOM 0 HA PRO A 38 -11.706 -7.355 1.659 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.168 -9.772 -0.124 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -10.690 -8.849 0.062 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -10.826 -11.261 1.147 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -10.087 -9.965 2.067 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -12.911 -11.061 2.305 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -11.754 -10.754 3.584 1.00 0.26 H new ATOM 400 N SER A 39 -14.687 -7.967 1.257 1.00 0.28 N ATOM 401 CA SER A 39 -15.910 -7.444 0.666 1.00 0.33 C ATOM 402 C SER A 39 -16.059 -5.940 0.927 1.00 0.36 C ATOM 403 O SER A 39 -16.723 -5.232 0.168 1.00 0.59 O ATOM 404 CB SER A 39 -17.121 -8.198 1.212 1.00 0.34 C ATOM 405 OG SER A 39 -17.067 -9.569 0.856 1.00 1.19 O ATOM 0 H SER A 39 -14.827 -8.501 2.115 1.00 0.28 H new ATOM 0 HA SER A 39 -15.853 -7.591 -0.412 1.00 0.33 H new ATOM 0 HB2 SER A 39 -17.155 -8.101 2.297 1.00 0.34 H new ATOM 0 HB3 SER A 39 -18.037 -7.753 0.823 1.00 0.34 H new ATOM 0 HG SER A 39 -17.851 -10.032 1.218 1.00 1.19 H new ATOM 411 N GLN A 40 -15.430 -5.446 1.992 1.00 0.22 N ATOM 412 CA GLN A 40 -15.558 -4.043 2.363 1.00 0.21 C ATOM 413 C GLN A 40 -14.438 -3.213 1.764 1.00 0.16 C ATOM 414 O GLN A 40 -14.423 -1.998 1.884 1.00 0.16 O ATOM 415 CB GLN A 40 -15.576 -3.892 3.878 1.00 0.23 C ATOM 416 CG GLN A 40 -14.517 -4.720 4.596 1.00 0.21 C ATOM 417 CD GLN A 40 -14.916 -5.035 6.022 1.00 0.67 C ATOM 418 OE1 GLN A 40 -14.577 -4.301 6.948 1.00 1.09 O ATOM 419 NE2 GLN A 40 -15.661 -6.111 6.207 1.00 0.97 N ATOM 0 H GLN A 40 -14.831 -5.995 2.608 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.503 -3.675 1.962 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.433 -2.841 4.130 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.560 -4.178 4.250 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -14.353 -5.650 4.051 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -13.571 -4.179 4.595 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -15.921 -6.694 5.412 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -15.976 -6.358 7.145 1.00 0.97 H new ATOM 428 N SER A 41 -13.516 -3.904 1.132 1.00 0.15 N ATOM 429 CA SER A 41 -12.397 -3.325 0.425 1.00 0.13 C ATOM 430 C SER A 41 -12.797 -2.087 -0.376 1.00 0.11 C ATOM 431 O SER A 41 -12.228 -1.025 -0.183 1.00 0.11 O ATOM 432 CB SER A 41 -11.817 -4.395 -0.493 1.00 0.18 C ATOM 433 OG SER A 41 -12.776 -4.831 -1.438 1.00 0.82 O ATOM 0 H SER A 41 -13.526 -4.923 1.095 1.00 0.15 H new ATOM 0 HA SER A 41 -11.652 -2.993 1.148 1.00 0.13 H new ATOM 0 HB2 SER A 41 -10.944 -3.999 -1.012 1.00 0.18 H new ATOM 0 HB3 SER A 41 -11.476 -5.243 0.101 1.00 0.18 H new ATOM 0 HG SER A 41 -13.365 -5.496 -1.024 1.00 0.82 H new ATOM 439 N ALA A 42 -13.785 -2.232 -1.257 1.00 0.13 N ATOM 440 CA ALA A 42 -14.262 -1.120 -2.081 1.00 0.13 C ATOM 441 C ALA A 42 -14.701 0.064 -1.224 1.00 0.12 C ATOM 442 O ALA A 42 -14.428 1.219 -1.550 1.00 0.12 O ATOM 443 CB ALA A 42 -15.410 -1.582 -2.959 1.00 0.18 C ATOM 0 H ALA A 42 -14.274 -3.112 -1.420 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.435 -0.788 -2.709 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.759 -0.749 -3.569 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -15.070 -2.389 -3.608 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -16.226 -1.940 -2.332 1.00 0.18 H new ATOM 449 N ASN A 43 -15.366 -0.243 -0.120 1.00 0.12 N ATOM 450 CA ASN A 43 -15.832 0.770 0.827 1.00 0.13 C ATOM 451 C ASN A 43 -14.647 1.418 1.500 1.00 0.10 C ATOM 452 O ASN A 43 -14.587 2.628 1.698 1.00 0.11 O ATOM 453 CB ASN A 43 -16.688 0.130 1.923 1.00 0.16 C ATOM 454 CG ASN A 43 -17.921 -0.561 1.396 1.00 0.18 C ATOM 455 OD1 ASN A 43 -18.974 0.053 1.218 1.00 0.20 O ATOM 456 ND2 ASN A 43 -17.802 -1.853 1.170 1.00 0.20 N ATOM 0 H ASN A 43 -15.600 -1.199 0.148 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.418 1.503 0.273 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.083 -0.592 2.471 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -16.988 0.899 2.634 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -18.603 -2.388 0.833 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -16.909 -2.319 1.332 1.00 0.20 H new ATOM 463 N LEU A 44 -13.711 0.571 1.855 1.00 0.09 N ATOM 464 CA LEU A 44 -12.576 0.954 2.653 1.00 0.08 C ATOM 465 C LEU A 44 -11.637 1.815 1.840 1.00 0.07 C ATOM 466 O LEU A 44 -11.132 2.844 2.290 1.00 0.08 O ATOM 467 CB LEU A 44 -11.873 -0.304 3.145 1.00 0.08 C ATOM 468 CG LEU A 44 -12.258 -0.756 4.547 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.494 -0.030 5.058 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.500 -2.240 4.533 1.00 0.12 C ATOM 0 H LEU A 44 -13.718 -0.415 1.594 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.905 1.538 3.513 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.085 -1.115 2.448 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.797 -0.133 3.118 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.438 -0.514 5.223 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.734 -0.382 6.061 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.300 1.042 5.087 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.334 -0.229 4.393 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.776 -2.573 5.533 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.307 -2.470 3.838 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.592 -2.754 4.218 1.00 0.12 H new ATOM 482 N LEU A 45 -11.431 1.342 0.636 1.00 0.07 N ATOM 483 CA LEU A 45 -10.676 2.015 -0.395 1.00 0.07 C ATOM 484 C LEU A 45 -11.289 3.395 -0.626 1.00 0.07 C ATOM 485 O LEU A 45 -10.588 4.394 -0.703 1.00 0.08 O ATOM 486 CB LEU A 45 -10.804 1.120 -1.620 1.00 0.07 C ATOM 487 CG LEU A 45 -9.931 1.381 -2.848 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.799 1.246 -4.070 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.208 2.721 -2.815 1.00 0.08 C ATOM 0 H LEU A 45 -11.800 0.440 0.334 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.627 2.172 -0.143 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.612 0.097 -1.296 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.843 1.162 -1.946 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.129 0.643 -2.863 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.201 1.427 -4.963 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.216 0.240 -4.111 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.610 1.973 -4.022 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.609 2.834 -3.719 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.939 3.528 -2.761 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.557 2.762 -1.941 1.00 0.08 H new ATOM 501 N ALA A 46 -12.610 3.429 -0.714 1.00 0.08 N ATOM 502 CA ALA A 46 -13.362 4.668 -0.835 1.00 0.09 C ATOM 503 C ALA A 46 -13.014 5.660 0.268 1.00 0.09 C ATOM 504 O ALA A 46 -12.753 6.815 -0.007 1.00 0.11 O ATOM 505 CB ALA A 46 -14.834 4.351 -0.790 1.00 0.10 C ATOM 0 H ALA A 46 -13.194 2.593 -0.703 1.00 0.08 H new ATOM 0 HA ALA A 46 -13.099 5.135 -1.784 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.408 5.273 -0.880 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -15.088 3.684 -1.614 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -15.073 3.866 0.156 1.00 0.10 H new ATOM 511 N GLU A 47 -13.012 5.194 1.511 1.00 0.09 N ATOM 512 CA GLU A 47 -12.695 6.019 2.654 1.00 0.10 C ATOM 513 C GLU A 47 -11.233 6.401 2.627 1.00 0.09 C ATOM 514 O GLU A 47 -10.850 7.430 3.151 1.00 0.09 O ATOM 515 CB GLU A 47 -13.039 5.288 3.948 1.00 0.11 C ATOM 516 CG GLU A 47 -14.455 4.744 3.960 1.00 0.16 C ATOM 517 CD GLU A 47 -15.032 4.656 5.351 1.00 0.31 C ATOM 518 OE1 GLU A 47 -14.861 3.609 6.009 1.00 1.13 O ATOM 519 OE2 GLU A 47 -15.657 5.643 5.794 1.00 1.19 O ATOM 0 H GLU A 47 -13.232 4.227 1.748 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.292 6.930 2.609 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.338 4.466 4.092 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.909 5.969 4.789 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -15.091 5.383 3.347 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.464 3.754 3.504 1.00 0.16 H new ATOM 526 N ALA A 48 -10.425 5.555 2.009 1.00 0.08 N ATOM 527 CA ALA A 48 -9.026 5.864 1.770 1.00 0.08 C ATOM 528 C ALA A 48 -8.912 6.993 0.750 1.00 0.08 C ATOM 529 O ALA A 48 -8.139 7.931 0.926 1.00 0.08 O ATOM 530 CB ALA A 48 -8.301 4.620 1.285 1.00 0.08 C ATOM 0 H ALA A 48 -10.718 4.642 1.662 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.562 6.193 2.700 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.252 4.856 1.107 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.374 3.838 2.041 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.757 4.271 0.358 1.00 0.08 H new ATOM 536 N LYS A 49 -9.734 6.905 -0.292 1.00 0.08 N ATOM 537 CA LYS A 49 -9.775 7.902 -1.360 1.00 0.09 C ATOM 538 C LYS A 49 -10.306 9.192 -0.780 1.00 0.10 C ATOM 539 O LYS A 49 -9.769 10.278 -0.976 1.00 0.13 O ATOM 540 CB LYS A 49 -10.730 7.436 -2.461 1.00 0.09 C ATOM 541 CG LYS A 49 -10.301 6.192 -3.208 1.00 0.09 C ATOM 542 CD LYS A 49 -11.526 5.396 -3.621 1.00 0.09 C ATOM 543 CE LYS A 49 -11.328 4.673 -4.929 1.00 0.10 C ATOM 544 NZ LYS A 49 -12.618 4.201 -5.497 1.00 0.71 N ATOM 0 H LYS A 49 -10.393 6.138 -0.421 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.777 8.042 -1.776 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.708 7.253 -2.017 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.853 8.247 -3.179 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.720 6.467 -4.088 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.655 5.582 -2.577 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.765 4.672 -2.842 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.380 6.067 -3.706 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.838 5.337 -5.641 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -10.664 3.822 -4.778 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -12.442 3.709 -6.396 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -13.074 3.548 -4.828 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -13.242 5.016 -5.665 1.00 0.71 H new ATOM 558 N LYS A 50 -11.378 9.004 -0.051 1.00 0.11 N ATOM 559 CA LYS A 50 -12.072 10.039 0.665 1.00 0.12 C ATOM 560 C LYS A 50 -11.150 10.716 1.654 1.00 0.12 C ATOM 561 O LYS A 50 -11.142 11.928 1.767 1.00 0.15 O ATOM 562 CB LYS A 50 -13.245 9.377 1.378 1.00 0.14 C ATOM 563 CG LYS A 50 -13.675 10.068 2.666 1.00 0.17 C ATOM 564 CD LYS A 50 -14.445 9.137 3.590 1.00 0.27 C ATOM 565 CE LYS A 50 -15.507 8.357 2.844 1.00 1.06 C ATOM 566 NZ LYS A 50 -16.384 7.583 3.766 1.00 1.19 N ATOM 0 H LYS A 50 -11.807 8.086 0.063 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.425 10.812 -0.017 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -14.096 9.344 0.697 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -12.979 8.345 1.606 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.794 10.445 3.185 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -14.295 10.931 2.423 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -13.752 8.444 4.067 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -14.912 9.718 4.385 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -16.116 9.044 2.257 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -15.029 7.675 2.141 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -16.983 6.936 3.214 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -15.796 7.033 4.425 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -16.986 8.238 4.304 1.00 1.19 H new ATOM 580 N LEU A 51 -10.399 9.909 2.378 1.00 0.11 N ATOM 581 CA LEU A 51 -9.401 10.397 3.318 1.00 0.12 C ATOM 582 C LEU A 51 -8.335 11.193 2.615 1.00 0.12 C ATOM 583 O LEU A 51 -8.010 12.314 2.999 1.00 0.13 O ATOM 584 CB LEU A 51 -8.742 9.227 4.001 1.00 0.11 C ATOM 585 CG LEU A 51 -7.947 9.560 5.241 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.779 10.400 6.186 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.494 8.272 5.891 1.00 0.12 C ATOM 0 H LEU A 51 -10.462 8.892 2.333 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.906 11.037 4.042 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.513 8.504 4.268 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -8.080 8.738 3.287 1.00 0.11 H new ATOM 0 HG LEU A 51 -7.067 10.146 4.977 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.195 10.633 7.076 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -9.070 11.326 5.690 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.673 9.847 6.474 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -6.918 8.500 6.788 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.365 7.675 6.161 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.872 7.712 5.193 1.00 0.12 H new ATOM 599 N ASN A 52 -7.790 10.575 1.592 1.00 0.11 N ATOM 600 CA ASN A 52 -6.799 11.202 0.728 1.00 0.11 C ATOM 601 C ASN A 52 -7.294 12.561 0.279 1.00 0.13 C ATOM 602 O ASN A 52 -6.537 13.511 0.188 1.00 0.15 O ATOM 603 CB ASN A 52 -6.551 10.293 -0.475 1.00 0.12 C ATOM 604 CG ASN A 52 -6.054 11.008 -1.710 1.00 0.16 C ATOM 605 OD1 ASN A 52 -6.836 11.429 -2.559 1.00 0.20 O ATOM 606 ND2 ASN A 52 -4.753 11.135 -1.823 1.00 0.19 N ATOM 0 H ASN A 52 -8.019 9.617 1.329 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.864 11.344 1.271 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.824 9.531 -0.195 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.478 9.774 -0.719 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -4.355 11.598 -2.640 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -4.140 10.771 -1.094 1.00 0.19 H new ATOM 613 N ASP A 53 -8.583 12.616 0.037 1.00 0.14 N ATOM 614 CA ASP A 53 -9.269 13.820 -0.399 1.00 0.17 C ATOM 615 C ASP A 53 -9.533 14.744 0.777 1.00 0.19 C ATOM 616 O ASP A 53 -9.424 15.963 0.671 1.00 0.22 O ATOM 617 CB ASP A 53 -10.586 13.441 -1.082 1.00 0.17 C ATOM 618 CG ASP A 53 -11.423 14.644 -1.461 1.00 0.71 C ATOM 619 OD1 ASP A 53 -11.000 15.423 -2.343 1.00 1.34 O ATOM 620 OD2 ASP A 53 -12.520 14.804 -0.892 1.00 1.53 O ATOM 0 H ASP A 53 -9.201 11.811 0.138 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.634 14.349 -1.110 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.370 12.859 -1.978 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -11.163 12.799 -0.416 1.00 0.17 H new ATOM 625 N ALA A 54 -9.860 14.130 1.900 1.00 0.18 N ATOM 626 CA ALA A 54 -10.303 14.834 3.082 1.00 0.21 C ATOM 627 C ALA A 54 -9.200 15.679 3.647 1.00 0.24 C ATOM 628 O ALA A 54 -9.406 16.830 4.030 1.00 0.28 O ATOM 629 CB ALA A 54 -10.743 13.834 4.134 1.00 0.20 C ATOM 0 H ALA A 54 -9.824 13.117 2.014 1.00 0.18 H new ATOM 0 HA ALA A 54 -11.135 15.480 2.802 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -11.077 14.366 5.025 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.563 13.231 3.743 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.906 13.185 4.391 1.00 0.20 H new ATOM 635 N GLN A 55 -8.019 15.104 3.690 1.00 0.22 N ATOM 636 CA GLN A 55 -6.909 15.789 4.325 1.00 0.25 C ATOM 637 C GLN A 55 -5.930 16.356 3.307 1.00 0.25 C ATOM 638 O GLN A 55 -5.256 17.336 3.612 1.00 0.28 O ATOM 639 CB GLN A 55 -6.188 14.831 5.258 1.00 0.25 C ATOM 640 CG GLN A 55 -5.850 13.514 4.595 1.00 0.20 C ATOM 641 CD GLN A 55 -4.765 12.772 5.328 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.588 13.009 5.097 1.00 0.22 O ATOM 643 NE2 GLN A 55 -5.153 11.849 6.184 1.00 0.17 N ATOM 0 H GLN A 55 -7.802 14.185 3.304 1.00 0.22 H new ATOM 0 HA GLN A 55 -7.314 16.628 4.891 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -5.271 15.299 5.615 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.811 14.644 6.132 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.744 12.893 4.547 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.533 13.697 3.568 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -6.147 11.687 6.344 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.459 11.296 6.687 1.00 0.17 H new ATOM 652 N ALA A 56 -5.904 15.740 2.108 1.00 0.24 N ATOM 653 CA ALA A 56 -5.027 16.115 0.977 1.00 0.25 C ATOM 654 C ALA A 56 -4.186 17.369 1.211 1.00 0.31 C ATOM 655 O ALA A 56 -4.531 18.460 0.752 1.00 0.35 O ATOM 656 CB ALA A 56 -5.847 16.261 -0.289 1.00 0.26 C ATOM 0 H ALA A 56 -6.508 14.947 1.892 1.00 0.24 H new ATOM 0 HA ALA A 56 -4.310 15.300 0.876 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -5.193 16.537 -1.116 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -6.339 15.315 -0.515 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.600 17.036 -0.147 1.00 0.26 H new ATOM 714 N GLY B 14 7.626 6.644 -11.451 1.00 0.21 N ATOM 715 CA GLY B 14 6.500 5.759 -11.220 1.00 0.21 C ATOM 716 C GLY B 14 6.694 4.357 -11.769 1.00 0.19 C ATOM 717 O GLY B 14 6.037 3.972 -12.733 1.00 0.28 O ATOM 0 HA2 GLY B 14 6.315 5.696 -10.148 1.00 0.21 H new ATOM 0 HA3 GLY B 14 5.609 6.195 -11.672 1.00 0.21 H new ATOM 721 N GLU B 15 7.601 3.596 -11.173 1.00 0.15 N ATOM 722 CA GLU B 15 7.707 2.179 -11.480 1.00 0.15 C ATOM 723 C GLU B 15 6.856 1.415 -10.483 1.00 0.14 C ATOM 724 O GLU B 15 7.262 1.224 -9.338 1.00 0.22 O ATOM 725 CB GLU B 15 9.152 1.681 -11.386 1.00 0.18 C ATOM 726 CG GLU B 15 10.194 2.687 -11.840 1.00 0.86 C ATOM 727 CD GLU B 15 11.595 2.121 -11.782 1.00 1.08 C ATOM 728 OE1 GLU B 15 11.826 1.040 -12.367 1.00 1.76 O ATOM 729 OE2 GLU B 15 12.472 2.741 -11.144 1.00 1.45 O ATOM 0 H GLU B 15 8.269 3.934 -10.480 1.00 0.15 H new ATOM 0 HA GLU B 15 7.366 2.018 -12.503 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.360 1.402 -10.353 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.252 0.777 -11.987 1.00 0.18 H new ATOM 0 HG2 GLU B 15 9.973 3.002 -12.860 1.00 0.86 H new ATOM 0 HG3 GLU B 15 10.136 3.576 -11.212 1.00 0.86 H new ATOM 736 N ILE B 16 5.686 0.983 -10.902 1.00 0.12 N ATOM 737 CA ILE B 16 4.752 0.352 -9.986 1.00 0.11 C ATOM 738 C ILE B 16 5.275 -0.988 -9.489 1.00 0.12 C ATOM 739 O ILE B 16 5.950 -1.723 -10.214 1.00 0.16 O ATOM 740 CB ILE B 16 3.367 0.156 -10.635 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.556 1.456 -10.574 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.624 -0.969 -9.934 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.856 1.673 -9.253 1.00 0.11 C ATOM 0 H ILE B 16 5.357 1.055 -11.865 1.00 0.12 H new ATOM 0 HA ILE B 16 4.648 1.025 -9.135 1.00 0.11 H new ATOM 0 HB ILE B 16 3.503 -0.111 -11.683 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.221 2.298 -10.765 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.813 1.448 -11.372 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.646 -1.103 -10.397 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.196 -1.893 -10.021 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.496 -0.719 -8.881 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.303 2.612 -9.284 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.165 0.851 -9.068 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.594 1.714 -8.452 1.00 0.11 H new ATOM 755 N PHE B 17 4.978 -1.272 -8.232 1.00 0.11 N ATOM 756 CA PHE B 17 5.318 -2.537 -7.621 1.00 0.11 C ATOM 757 C PHE B 17 4.167 -3.013 -6.746 1.00 0.11 C ATOM 758 O PHE B 17 3.598 -2.237 -5.977 1.00 0.11 O ATOM 759 CB PHE B 17 6.618 -2.395 -6.832 1.00 0.12 C ATOM 760 CG PHE B 17 6.697 -1.168 -5.963 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.150 -1.154 -4.686 1.00 1.09 C ATOM 762 CD2 PHE B 17 7.345 -0.031 -6.425 1.00 1.11 C ATOM 763 CE1 PHE B 17 6.246 -0.028 -3.889 1.00 1.10 C ATOM 764 CE2 PHE B 17 7.447 1.098 -5.636 1.00 1.11 C ATOM 765 CZ PHE B 17 6.901 1.102 -4.365 1.00 0.10 C ATOM 0 H PHE B 17 4.493 -0.627 -7.608 1.00 0.11 H new ATOM 0 HA PHE B 17 5.479 -3.292 -8.391 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.744 -3.277 -6.204 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.453 -2.381 -7.533 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.644 -2.032 -4.312 1.00 1.09 H new ATOM 0 HD2 PHE B 17 7.776 -0.029 -7.415 1.00 1.11 H new ATOM 0 HE1 PHE B 17 5.813 -0.027 -2.899 1.00 1.10 H new ATOM 0 HE2 PHE B 17 7.952 1.976 -6.011 1.00 1.11 H new ATOM 0 HZ PHE B 17 6.983 1.981 -3.744 1.00 0.10 H new ATOM 775 N TYR B 18 3.803 -4.278 -6.889 1.00 0.11 N ATOM 776 CA TYR B 18 2.652 -4.818 -6.192 1.00 0.10 C ATOM 777 C TYR B 18 3.071 -5.651 -5.000 1.00 0.09 C ATOM 778 O TYR B 18 4.048 -6.401 -5.053 1.00 0.09 O ATOM 779 CB TYR B 18 1.800 -5.654 -7.139 1.00 0.12 C ATOM 780 CG TYR B 18 1.101 -4.832 -8.192 1.00 0.09 C ATOM 781 CD1 TYR B 18 -0.011 -4.073 -7.869 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.551 -4.813 -9.503 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.664 -3.315 -8.816 1.00 1.20 C ATOM 784 CE2 TYR B 18 0.904 -4.059 -10.464 1.00 1.15 C ATOM 785 CZ TYR B 18 -0.203 -3.309 -10.116 1.00 0.12 C ATOM 786 OH TYR B 18 -0.850 -2.561 -11.072 1.00 0.18 O ATOM 0 H TYR B 18 4.291 -4.949 -7.483 1.00 0.11 H new ATOM 0 HA TYR B 18 2.061 -3.978 -5.828 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.432 -6.396 -7.627 1.00 0.12 H new ATOM 0 HB3 TYR B 18 1.055 -6.201 -6.561 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.375 -4.075 -6.852 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.419 -5.395 -9.777 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.530 -2.730 -8.543 1.00 1.20 H new ATOM 0 HE2 TYR B 18 1.262 -4.056 -11.483 1.00 1.15 H new ATOM 0 HH TYR B 18 -0.396 -2.668 -11.934 1.00 0.18 H new ATOM 796 N LEU B 19 2.324 -5.503 -3.918 1.00 0.13 N ATOM 797 CA LEU B 19 2.589 -6.229 -2.686 1.00 0.13 C ATOM 798 C LEU B 19 1.339 -7.016 -2.260 1.00 0.21 C ATOM 799 O LEU B 19 0.812 -6.807 -1.171 1.00 0.25 O ATOM 800 CB LEU B 19 2.996 -5.251 -1.561 1.00 0.12 C ATOM 801 CG LEU B 19 4.273 -4.401 -1.794 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.469 -5.309 -2.010 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.114 -3.427 -2.947 1.00 0.11 C ATOM 0 H LEU B 19 1.519 -4.878 -3.869 1.00 0.13 H new ATOM 0 HA LEU B 19 3.410 -6.924 -2.863 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.163 -4.570 -1.386 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.134 -5.826 -0.646 1.00 0.12 H new ATOM 0 HG LEU B 19 4.439 -3.801 -0.899 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.361 -4.704 -2.173 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.612 -5.937 -1.131 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.294 -5.939 -2.882 1.00 0.08 H new ATOM 0 HD21 LEU B 19 5.034 -2.856 -3.070 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.904 -3.979 -3.863 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.289 -2.746 -2.737 1.00 0.11 H new ATOM 815 N PRO B 20 0.858 -7.950 -3.110 1.00 0.23 N ATOM 816 CA PRO B 20 -0.408 -8.676 -2.879 1.00 0.29 C ATOM 817 C PRO B 20 -0.317 -9.698 -1.764 1.00 0.29 C ATOM 818 O PRO B 20 -1.265 -9.902 -1.006 1.00 0.33 O ATOM 819 CB PRO B 20 -0.639 -9.382 -4.218 1.00 0.33 C ATOM 820 CG PRO B 20 0.738 -9.617 -4.729 1.00 0.29 C ATOM 821 CD PRO B 20 1.492 -8.374 -4.376 1.00 0.23 C ATOM 0 HA PRO B 20 -1.208 -8.003 -2.571 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -1.185 -10.317 -4.090 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -1.221 -8.765 -4.902 1.00 0.33 H new ATOM 0 HG2 PRO B 20 1.187 -10.497 -4.268 1.00 0.29 H new ATOM 0 HG3 PRO B 20 0.737 -9.787 -5.806 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.557 -8.570 -4.249 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.399 -7.612 -5.149 1.00 0.23 H new ATOM 829 N ASN B 21 0.829 -10.331 -1.669 1.00 0.27 N ATOM 830 CA ASN B 21 1.022 -11.408 -0.727 1.00 0.28 C ATOM 831 C ASN B 21 1.373 -10.857 0.649 1.00 0.24 C ATOM 832 O ASN B 21 1.352 -11.574 1.649 1.00 0.28 O ATOM 833 CB ASN B 21 2.081 -12.364 -1.280 1.00 0.31 C ATOM 834 CG ASN B 21 3.097 -12.821 -0.266 1.00 0.32 C ATOM 835 OD1 ASN B 21 2.880 -13.777 0.477 1.00 0.41 O ATOM 836 ND2 ASN B 21 4.231 -12.152 -0.264 1.00 0.30 N ATOM 0 H ASN B 21 1.648 -10.116 -2.238 1.00 0.27 H new ATOM 0 HA ASN B 21 0.099 -11.973 -0.598 1.00 0.28 H new ATOM 0 HB2 ASN B 21 1.581 -13.239 -1.696 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.602 -11.874 -2.102 1.00 0.31 H new ATOM 0 HD21 ASN B 21 4.980 -12.420 0.374 1.00 0.30 H new ATOM 0 HD22 ASN B 21 4.361 -11.366 -0.901 1.00 0.30 H new ATOM 843 N LEU B 22 1.686 -9.572 0.699 1.00 0.19 N ATOM 844 CA LEU B 22 1.855 -8.898 1.960 1.00 0.16 C ATOM 845 C LEU B 22 0.531 -8.443 2.507 1.00 0.20 C ATOM 846 O LEU B 22 -0.312 -7.911 1.788 1.00 0.26 O ATOM 847 CB LEU B 22 2.801 -7.724 1.815 1.00 0.14 C ATOM 848 CG LEU B 22 4.202 -8.150 1.436 1.00 0.13 C ATOM 849 CD1 LEU B 22 5.195 -7.033 1.635 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.578 -9.359 2.254 1.00 0.14 C ATOM 0 H LEU B 22 1.826 -8.983 -0.122 1.00 0.19 H new ATOM 0 HA LEU B 22 2.289 -9.606 2.666 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.415 -7.042 1.057 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.835 -7.171 2.754 1.00 0.14 H new ATOM 0 HG LEU B 22 4.223 -8.403 0.376 1.00 0.13 H new ATOM 0 HD11 LEU B 22 6.190 -7.376 1.352 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.915 -6.182 1.014 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.199 -6.732 2.683 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.587 -9.677 1.991 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.542 -9.107 3.314 1.00 0.14 H new ATOM 0 HD23 LEU B 22 3.877 -10.169 2.050 1.00 0.14 H new ATOM 862 N ASN B 23 0.369 -8.656 3.787 1.00 0.21 N ATOM 863 CA ASN B 23 -0.850 -8.261 4.470 1.00 0.26 C ATOM 864 C ASN B 23 -0.588 -6.955 5.187 1.00 0.20 C ATOM 865 O ASN B 23 0.574 -6.582 5.345 1.00 0.15 O ATOM 866 CB ASN B 23 -1.326 -9.373 5.420 1.00 0.35 C ATOM 867 CG ASN B 23 -0.185 -10.028 6.162 1.00 0.56 C ATOM 868 OD1 ASN B 23 0.149 -9.642 7.281 1.00 1.19 O ATOM 869 ND2 ASN B 23 0.433 -11.022 5.530 1.00 0.55 N ATOM 0 H ASN B 23 1.065 -9.102 4.385 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.659 -8.110 3.755 1.00 0.26 H new ATOM 0 HB2 ASN B 23 -2.030 -8.955 6.139 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -1.865 -10.129 4.848 1.00 0.35 H new ATOM 0 HD21 ASN B 23 1.219 -11.498 5.973 1.00 0.55 H new ATOM 0 HD22 ASN B 23 0.121 -11.308 4.602 1.00 0.55 H new ATOM 876 N PRO B 24 -1.647 -6.214 5.567 1.00 0.25 N ATOM 877 CA PRO B 24 -1.533 -4.922 6.239 1.00 0.22 C ATOM 878 C PRO B 24 -0.368 -4.852 7.222 1.00 0.18 C ATOM 879 O PRO B 24 0.379 -3.881 7.229 1.00 0.19 O ATOM 880 CB PRO B 24 -2.870 -4.780 6.983 1.00 0.27 C ATOM 881 CG PRO B 24 -3.745 -5.903 6.508 1.00 0.33 C ATOM 882 CD PRO B 24 -3.053 -6.546 5.337 1.00 0.37 C ATOM 0 HA PRO B 24 -1.335 -4.124 5.524 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.721 -4.834 8.061 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.330 -3.814 6.773 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -3.905 -6.629 7.305 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.726 -5.528 6.216 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -3.215 -7.624 5.314 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.412 -6.149 4.388 1.00 0.37 H new ATOM 890 N ASP B 25 -0.179 -5.913 8.000 1.00 0.20 N ATOM 891 CA ASP B 25 0.832 -5.916 9.058 1.00 0.24 C ATOM 892 C ASP B 25 2.242 -5.996 8.476 1.00 0.23 C ATOM 893 O ASP B 25 3.190 -5.446 9.036 1.00 0.28 O ATOM 894 CB ASP B 25 0.602 -7.074 10.031 1.00 0.34 C ATOM 895 CG ASP B 25 1.599 -7.070 11.174 1.00 0.98 C ATOM 896 OD1 ASP B 25 1.517 -6.175 12.040 1.00 1.76 O ATOM 897 OD2 ASP B 25 2.465 -7.967 11.219 1.00 1.49 O ATOM 0 H ASP B 25 -0.710 -6.781 7.920 1.00 0.20 H new ATOM 0 HA ASP B 25 0.737 -4.977 9.603 1.00 0.24 H new ATOM 0 HB2 ASP B 25 -0.409 -7.013 10.433 1.00 0.34 H new ATOM 0 HB3 ASP B 25 0.674 -8.019 9.492 1.00 0.34 H new ATOM 902 N GLN B 26 2.365 -6.662 7.338 1.00 0.19 N ATOM 903 CA GLN B 26 3.640 -6.795 6.653 1.00 0.20 C ATOM 904 C GLN B 26 4.029 -5.449 6.067 1.00 0.20 C ATOM 905 O GLN B 26 5.137 -4.947 6.252 1.00 0.24 O ATOM 906 CB GLN B 26 3.486 -7.823 5.532 1.00 0.25 C ATOM 907 CG GLN B 26 2.804 -9.106 5.974 1.00 0.31 C ATOM 908 CD GLN B 26 3.533 -9.834 7.082 1.00 0.29 C ATOM 909 OE1 GLN B 26 2.920 -10.462 7.941 1.00 0.48 O ATOM 910 NE2 GLN B 26 4.838 -9.791 7.031 1.00 0.28 N ATOM 0 H GLN B 26 1.587 -7.123 6.866 1.00 0.19 H new ATOM 0 HA GLN B 26 4.414 -7.122 7.347 1.00 0.20 H new ATOM 0 HB2 GLN B 26 2.913 -7.378 4.719 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.471 -8.064 5.133 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.793 -8.873 6.309 1.00 0.31 H new ATOM 0 HG3 GLN B 26 2.710 -9.771 5.115 1.00 0.31 H new ATOM 0 HE21 GLN B 26 5.302 -9.255 6.298 1.00 0.28 H new ATOM 0 HE22 GLN B 26 5.392 -10.293 7.724 1.00 0.28 H new ATOM 919 N LEU B 27 3.072 -4.884 5.367 1.00 0.16 N ATOM 920 CA LEU B 27 3.182 -3.564 4.766 1.00 0.17 C ATOM 921 C LEU B 27 3.363 -2.473 5.825 1.00 0.19 C ATOM 922 O LEU B 27 3.942 -1.426 5.538 1.00 0.21 O ATOM 923 CB LEU B 27 1.924 -3.289 3.945 1.00 0.16 C ATOM 924 CG LEU B 27 1.593 -4.355 2.897 1.00 0.14 C ATOM 925 CD1 LEU B 27 0.105 -4.350 2.591 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.391 -4.121 1.622 1.00 0.13 C ATOM 0 H LEU B 27 2.174 -5.335 5.193 1.00 0.16 H new ATOM 0 HA LEU B 27 4.064 -3.547 4.126 1.00 0.17 H new ATOM 0 HB2 LEU B 27 1.077 -3.194 4.625 1.00 0.16 H new ATOM 0 HB3 LEU B 27 2.039 -2.329 3.442 1.00 0.16 H new ATOM 0 HG LEU B 27 1.866 -5.329 3.302 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.115 -5.113 1.844 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.455 -4.562 3.502 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.184 -3.372 2.207 1.00 0.15 H new ATOM 0 HD21 LEU B 27 2.141 -4.889 0.890 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.147 -3.140 1.215 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.457 -4.166 1.846 1.00 0.13 H new ATOM 938 N CYS B 28 2.868 -2.725 7.043 1.00 0.20 N ATOM 939 CA CYS B 28 2.951 -1.749 8.135 1.00 0.23 C ATOM 940 C CYS B 28 4.363 -1.220 8.310 1.00 0.23 C ATOM 941 O CYS B 28 4.569 -0.016 8.446 1.00 0.28 O ATOM 942 CB CYS B 28 2.469 -2.349 9.461 1.00 0.25 C ATOM 943 SG CYS B 28 0.662 -2.357 9.685 1.00 0.27 S ATOM 0 H CYS B 28 2.405 -3.598 7.297 1.00 0.20 H new ATOM 0 HA CYS B 28 2.297 -0.921 7.859 1.00 0.23 H new ATOM 0 HB2 CYS B 28 2.834 -3.373 9.534 1.00 0.25 H new ATOM 0 HB3 CYS B 28 2.920 -1.791 10.281 1.00 0.25 H new ATOM 948 N ALA B 29 5.334 -2.115 8.289 1.00 0.22 N ATOM 949 CA ALA B 29 6.718 -1.725 8.463 1.00 0.24 C ATOM 950 C ALA B 29 7.212 -0.921 7.278 1.00 0.21 C ATOM 951 O ALA B 29 7.902 0.084 7.445 1.00 0.25 O ATOM 952 CB ALA B 29 7.591 -2.944 8.644 1.00 0.26 C ATOM 0 H ALA B 29 5.188 -3.115 8.153 1.00 0.22 H new ATOM 0 HA ALA B 29 6.777 -1.102 9.356 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.628 -2.633 8.773 1.00 0.26 H new ATOM 0 HB2 ALA B 29 7.265 -3.497 9.525 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.511 -3.583 7.764 1.00 0.26 H new ATOM 958 N PHE B 30 6.845 -1.365 6.081 1.00 0.18 N ATOM 959 CA PHE B 30 7.358 -0.770 4.862 1.00 0.17 C ATOM 960 C PHE B 30 7.070 0.727 4.778 1.00 0.21 C ATOM 961 O PHE B 30 7.997 1.523 4.751 1.00 0.22 O ATOM 962 CB PHE B 30 6.743 -1.477 3.656 1.00 0.18 C ATOM 963 CG PHE B 30 7.161 -0.889 2.346 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.497 -0.676 2.076 1.00 1.13 C ATOM 965 CD2 PHE B 30 6.223 -0.562 1.380 1.00 1.07 C ATOM 966 CE1 PHE B 30 8.895 -0.150 0.871 1.00 1.13 C ATOM 967 CE2 PHE B 30 6.620 -0.031 0.169 1.00 1.07 C ATOM 968 CZ PHE B 30 7.964 0.174 -0.081 1.00 0.13 C ATOM 0 H PHE B 30 6.193 -2.136 5.933 1.00 0.18 H new ATOM 0 HA PHE B 30 8.441 -0.893 4.867 1.00 0.17 H new ATOM 0 HB2 PHE B 30 7.024 -2.530 3.679 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.657 -1.435 3.735 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.238 -0.926 2.820 1.00 1.13 H new ATOM 0 HD2 PHE B 30 5.173 -0.724 1.576 1.00 1.07 H new ATOM 0 HE1 PHE B 30 9.945 0.009 0.673 1.00 1.13 H new ATOM 0 HE2 PHE B 30 5.884 0.223 -0.579 1.00 1.07 H new ATOM 0 HZ PHE B 30 8.280 0.589 -1.026 1.00 0.13 H new ATOM 978 N PHE B 31 5.803 1.124 4.830 1.00 0.26 N ATOM 979 CA PHE B 31 5.470 2.535 4.738 1.00 0.35 C ATOM 980 C PHE B 31 5.823 3.278 6.019 1.00 0.37 C ATOM 981 O PHE B 31 5.927 4.503 6.025 1.00 0.46 O ATOM 982 CB PHE B 31 4.006 2.770 4.344 1.00 0.65 C ATOM 983 CG PHE B 31 2.996 1.852 4.967 1.00 0.23 C ATOM 984 CD1 PHE B 31 2.829 1.801 6.334 1.00 1.13 C ATOM 985 CD2 PHE B 31 2.185 1.070 4.167 1.00 1.16 C ATOM 986 CE1 PHE B 31 1.872 0.983 6.896 1.00 1.45 C ATOM 987 CE2 PHE B 31 1.231 0.244 4.719 1.00 1.05 C ATOM 988 CZ PHE B 31 1.073 0.201 6.087 1.00 0.80 C ATOM 0 H PHE B 31 5.004 0.498 4.934 1.00 0.26 H new ATOM 0 HA PHE B 31 6.082 2.944 3.934 1.00 0.35 H new ATOM 0 HB2 PHE B 31 3.742 3.795 4.603 1.00 0.65 H new ATOM 0 HB3 PHE B 31 3.925 2.684 3.260 1.00 0.65 H new ATOM 0 HD1 PHE B 31 3.454 2.408 6.972 1.00 1.13 H new ATOM 0 HD2 PHE B 31 2.301 1.107 3.094 1.00 1.16 H new ATOM 0 HE1 PHE B 31 1.748 0.954 7.968 1.00 1.45 H new ATOM 0 HE2 PHE B 31 0.609 -0.368 4.082 1.00 1.05 H new ATOM 0 HZ PHE B 31 0.325 -0.443 6.525 1.00 0.80 H new ATOM 998 N HIS B 32 6.041 2.537 7.094 1.00 0.36 N ATOM 999 CA HIS B 32 6.463 3.140 8.348 1.00 0.43 C ATOM 1000 C HIS B 32 7.922 3.573 8.246 1.00 0.40 C ATOM 1001 O HIS B 32 8.275 4.681 8.635 1.00 0.47 O ATOM 1002 CB HIS B 32 6.269 2.160 9.510 1.00 0.47 C ATOM 1003 CG HIS B 32 6.434 2.784 10.861 1.00 0.71 C ATOM 1004 ND1 HIS B 32 7.486 2.502 11.702 1.00 1.37 N ATOM 1005 CD2 HIS B 32 5.658 3.674 11.523 1.00 1.43 C ATOM 1006 CE1 HIS B 32 7.351 3.189 12.820 1.00 1.77 C ATOM 1007 NE2 HIS B 32 6.250 3.912 12.738 1.00 1.70 N ATOM 0 H HIS B 32 5.934 1.523 7.124 1.00 0.36 H new ATOM 0 HA HIS B 32 5.848 4.018 8.543 1.00 0.43 H new ATOM 0 HB2 HIS B 32 5.273 1.722 9.441 1.00 0.47 H new ATOM 0 HB3 HIS B 32 6.984 1.343 9.408 1.00 0.47 H new ATOM 0 HD2 HIS B 32 4.741 4.116 11.161 1.00 1.43 H new ATOM 0 HE1 HIS B 32 8.028 3.164 13.661 1.00 1.77 H new ATOM 0 HE2 HIS B 32 5.898 4.543 13.458 1.00 1.70 H new ATOM 1016 N SER B 33 8.752 2.701 7.694 1.00 0.33 N ATOM 1017 CA SER B 33 10.155 3.016 7.450 1.00 0.33 C ATOM 1018 C SER B 33 10.282 4.019 6.307 1.00 0.28 C ATOM 1019 O SER B 33 11.171 4.851 6.290 1.00 0.30 O ATOM 1020 CB SER B 33 10.933 1.741 7.122 1.00 0.33 C ATOM 1021 OG SER B 33 10.777 0.770 8.143 1.00 0.77 O ATOM 0 H SER B 33 8.477 1.762 7.404 1.00 0.33 H new ATOM 0 HA SER B 33 10.574 3.461 8.352 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.586 1.334 6.173 1.00 0.33 H new ATOM 0 HB3 SER B 33 11.990 1.978 7.000 1.00 0.33 H new ATOM 0 HG SER B 33 9.867 0.408 8.114 1.00 0.77 H new ATOM 1027 N VAL B 34 9.379 3.904 5.352 1.00 0.22 N ATOM 1028 CA VAL B 34 9.386 4.701 4.135 1.00 0.20 C ATOM 1029 C VAL B 34 8.959 6.144 4.391 1.00 0.26 C ATOM 1030 O VAL B 34 9.560 7.072 3.858 1.00 0.27 O ATOM 1031 CB VAL B 34 8.455 4.058 3.079 1.00 0.19 C ATOM 1032 CG1 VAL B 34 8.053 5.021 1.993 1.00 0.18 C ATOM 1033 CG2 VAL B 34 9.105 2.851 2.447 1.00 0.20 C ATOM 0 H VAL B 34 8.604 3.242 5.399 1.00 0.22 H new ATOM 0 HA VAL B 34 10.410 4.722 3.763 1.00 0.20 H new ATOM 0 HB VAL B 34 7.556 3.758 3.617 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.401 4.515 1.281 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.523 5.866 2.434 1.00 0.18 H new ATOM 0 HG13 VAL B 34 8.944 5.380 1.477 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.429 2.419 1.709 1.00 0.20 H new ATOM 0 HG22 VAL B 34 10.032 3.151 1.959 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.324 2.111 3.217 1.00 0.20 H new ATOM 1043 N HIS B 35 7.921 6.343 5.199 1.00 0.32 N ATOM 1044 CA HIS B 35 7.457 7.696 5.473 1.00 0.41 C ATOM 1045 C HIS B 35 8.382 8.362 6.475 1.00 0.45 C ATOM 1046 O HIS B 35 8.619 9.571 6.419 1.00 0.51 O ATOM 1047 CB HIS B 35 6.026 7.687 6.003 1.00 0.48 C ATOM 1048 CG HIS B 35 5.405 9.051 6.067 1.00 0.66 C ATOM 1049 ND1 HIS B 35 4.980 9.634 7.243 1.00 1.60 N ATOM 1050 CD2 HIS B 35 5.125 9.942 5.085 1.00 0.88 C ATOM 1051 CE1 HIS B 35 4.466 10.821 6.980 1.00 1.50 C ATOM 1052 NE2 HIS B 35 4.542 11.031 5.681 1.00 0.80 N ATOM 0 H HIS B 35 7.397 5.602 5.665 1.00 0.32 H new ATOM 0 HA HIS B 35 7.468 8.260 4.541 1.00 0.41 H new ATOM 0 HB2 HIS B 35 5.415 7.047 5.366 1.00 0.48 H new ATOM 0 HB3 HIS B 35 6.018 7.245 7.000 1.00 0.48 H new ATOM 0 HD2 HIS B 35 5.324 9.818 4.031 1.00 0.88 H new ATOM 0 HE1 HIS B 35 4.053 11.505 7.707 1.00 1.50 H new ATOM 0 HE2 HIS B 35 4.219 11.869 5.197 1.00 0.80 H new ATOM 1061 N ASP B 36 8.901 7.559 7.387 1.00 0.44 N ATOM 1062 CA ASP B 36 9.844 8.044 8.379 1.00 0.50 C ATOM 1063 C ASP B 36 11.218 8.239 7.745 1.00 0.47 C ATOM 1064 O ASP B 36 11.926 9.189 8.073 1.00 0.52 O ATOM 1065 CB ASP B 36 9.927 7.076 9.560 1.00 0.55 C ATOM 1066 CG ASP B 36 10.760 7.614 10.705 1.00 0.79 C ATOM 1067 OD1 ASP B 36 10.308 8.552 11.390 1.00 1.29 O ATOM 1068 OD2 ASP B 36 11.860 7.084 10.947 1.00 1.59 O ATOM 0 H ASP B 36 8.684 6.565 7.461 1.00 0.44 H new ATOM 0 HA ASP B 36 9.494 9.006 8.753 1.00 0.50 H new ATOM 0 HB2 ASP B 36 8.920 6.861 9.919 1.00 0.55 H new ATOM 0 HB3 ASP B 36 10.352 6.132 9.220 1.00 0.55 H new ATOM 1073 N ASP B 37 11.587 7.350 6.822 1.00 0.39 N ATOM 1074 CA ASP B 37 12.852 7.494 6.092 1.00 0.40 C ATOM 1075 C ASP B 37 12.629 7.456 4.581 1.00 0.32 C ATOM 1076 O ASP B 37 12.911 6.449 3.927 1.00 0.29 O ATOM 1077 CB ASP B 37 13.857 6.397 6.475 1.00 0.48 C ATOM 1078 CG ASP B 37 14.455 6.561 7.858 1.00 1.00 C ATOM 1079 OD1 ASP B 37 15.154 7.570 8.098 1.00 1.58 O ATOM 1080 OD2 ASP B 37 14.252 5.667 8.707 1.00 1.55 O ATOM 0 H ASP B 37 11.037 6.531 6.563 1.00 0.39 H new ATOM 0 HA ASP B 37 13.262 8.464 6.373 1.00 0.40 H new ATOM 0 HB2 ASP B 37 13.360 5.428 6.418 1.00 0.48 H new ATOM 0 HB3 ASP B 37 14.663 6.385 5.741 1.00 0.48 H new ATOM 1085 N PRO B 38 12.132 8.559 4.002 1.00 0.34 N ATOM 1086 CA PRO B 38 11.926 8.683 2.549 1.00 0.31 C ATOM 1087 C PRO B 38 13.214 8.481 1.749 1.00 0.30 C ATOM 1088 O PRO B 38 13.179 8.066 0.588 1.00 0.36 O ATOM 1089 CB PRO B 38 11.425 10.125 2.381 1.00 0.42 C ATOM 1090 CG PRO B 38 11.812 10.811 3.646 1.00 0.49 C ATOM 1091 CD PRO B 38 11.700 9.771 4.709 1.00 0.46 C ATOM 0 HA PRO B 38 11.238 7.924 2.177 1.00 0.31 H new ATOM 0 HB2 PRO B 38 11.882 10.604 1.515 1.00 0.42 H new ATOM 0 HB3 PRO B 38 10.346 10.154 2.229 1.00 0.42 H new ATOM 0 HG2 PRO B 38 12.827 11.204 3.586 1.00 0.49 H new ATOM 0 HG3 PRO B 38 11.155 11.656 3.852 1.00 0.49 H new ATOM 0 HD2 PRO B 38 12.338 9.993 5.565 1.00 0.46 H new ATOM 0 HD3 PRO B 38 10.681 9.682 5.086 1.00 0.46 H new ATOM 1099 N SER B 39 14.349 8.753 2.389 1.00 0.29 N ATOM 1100 CA SER B 39 15.651 8.690 1.732 1.00 0.31 C ATOM 1101 C SER B 39 16.015 7.275 1.292 1.00 0.26 C ATOM 1102 O SER B 39 16.940 7.085 0.505 1.00 0.31 O ATOM 1103 CB SER B 39 16.726 9.243 2.664 1.00 0.39 C ATOM 1104 OG SER B 39 16.420 10.573 3.049 1.00 1.45 O ATOM 0 H SER B 39 14.392 9.022 3.372 1.00 0.29 H new ATOM 0 HA SER B 39 15.592 9.299 0.830 1.00 0.31 H new ATOM 0 HB2 SER B 39 16.806 8.612 3.549 1.00 0.39 H new ATOM 0 HB3 SER B 39 17.695 9.217 2.165 1.00 0.39 H new ATOM 0 HG SER B 39 17.119 10.909 3.647 1.00 1.45 H new ATOM 1110 N GLN B 40 15.288 6.284 1.789 1.00 0.21 N ATOM 1111 CA GLN B 40 15.601 4.895 1.480 1.00 0.19 C ATOM 1112 C GLN B 40 14.429 4.137 0.915 1.00 0.15 C ATOM 1113 O GLN B 40 14.447 2.919 0.927 1.00 0.14 O ATOM 1114 CB GLN B 40 16.063 4.156 2.711 1.00 0.22 C ATOM 1115 CG GLN B 40 15.625 4.797 4.005 1.00 0.25 C ATOM 1116 CD GLN B 40 16.686 4.711 5.063 1.00 0.32 C ATOM 1117 OE1 GLN B 40 16.722 3.787 5.879 1.00 0.37 O ATOM 1118 NE2 GLN B 40 17.582 5.667 5.015 1.00 0.35 N ATOM 0 H GLN B 40 14.484 6.413 2.403 1.00 0.21 H new ATOM 0 HA GLN B 40 16.390 4.941 0.730 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.683 3.135 2.675 1.00 0.22 H new ATOM 0 HB3 GLN B 40 17.151 4.092 2.698 1.00 0.22 H new ATOM 0 HG2 GLN B 40 15.376 5.843 3.825 1.00 0.25 H new ATOM 0 HG3 GLN B 40 14.717 4.310 4.362 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.502 6.407 4.317 1.00 0.35 H new ATOM 0 HE22 GLN B 40 18.360 5.671 5.675 1.00 0.35 H new ATOM 1127 N SER B 41 13.419 4.837 0.457 1.00 0.15 N ATOM 1128 CA SER B 41 12.218 4.196 -0.083 1.00 0.14 C ATOM 1129 C SER B 41 12.555 3.081 -1.084 1.00 0.11 C ATOM 1130 O SER B 41 11.792 2.138 -1.229 1.00 0.10 O ATOM 1131 CB SER B 41 11.301 5.229 -0.731 1.00 0.16 C ATOM 1132 OG SER B 41 11.948 5.850 -1.826 1.00 0.75 O ATOM 0 H SER B 41 13.394 5.857 0.443 1.00 0.15 H new ATOM 0 HA SER B 41 11.698 3.735 0.757 1.00 0.14 H new ATOM 0 HB2 SER B 41 10.383 4.748 -1.069 1.00 0.16 H new ATOM 0 HB3 SER B 41 11.015 5.981 0.004 1.00 0.16 H new ATOM 0 HG SER B 41 11.695 6.796 -1.862 1.00 0.75 H new ATOM 1138 N ALA B 42 13.694 3.186 -1.770 1.00 0.09 N ATOM 1139 CA ALA B 42 14.132 2.132 -2.683 1.00 0.08 C ATOM 1140 C ALA B 42 14.721 0.940 -1.929 1.00 0.10 C ATOM 1141 O ALA B 42 14.446 -0.212 -2.258 1.00 0.10 O ATOM 1142 CB ALA B 42 15.139 2.662 -3.680 1.00 0.09 C ATOM 0 H ALA B 42 14.325 3.985 -1.711 1.00 0.09 H new ATOM 0 HA ALA B 42 13.249 1.789 -3.222 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.448 1.858 -4.347 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.686 3.464 -4.264 1.00 0.09 H new ATOM 0 HB3 ALA B 42 16.009 3.047 -3.148 1.00 0.09 H new ATOM 1148 N ASN B 43 15.542 1.216 -0.922 1.00 0.12 N ATOM 1149 CA ASN B 43 16.101 0.153 -0.089 1.00 0.14 C ATOM 1150 C ASN B 43 14.989 -0.464 0.743 1.00 0.14 C ATOM 1151 O ASN B 43 14.977 -1.661 1.025 1.00 0.15 O ATOM 1152 CB ASN B 43 17.221 0.683 0.812 1.00 0.18 C ATOM 1153 CG ASN B 43 18.437 1.121 0.029 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.282 0.307 -0.338 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.548 2.415 -0.206 1.00 0.33 N ATOM 0 H ASN B 43 15.835 2.158 -0.662 1.00 0.12 H new ATOM 0 HA ASN B 43 16.538 -0.609 -0.735 1.00 0.14 H new ATOM 0 HB2 ASN B 43 16.846 1.524 1.395 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.510 -0.093 1.521 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.359 2.774 -0.710 1.00 0.33 H new ATOM 0 HD22 ASN B 43 17.823 3.056 0.117 1.00 0.33 H new ATOM 1162 N LEU B 44 14.070 0.394 1.141 1.00 0.13 N ATOM 1163 CA LEU B 44 12.828 -0.006 1.783 1.00 0.13 C ATOM 1164 C LEU B 44 11.975 -0.809 0.810 1.00 0.11 C ATOM 1165 O LEU B 44 11.360 -1.804 1.190 1.00 0.11 O ATOM 1166 CB LEU B 44 12.058 1.228 2.248 1.00 0.14 C ATOM 1167 CG LEU B 44 12.483 1.838 3.592 1.00 0.17 C ATOM 1168 CD1 LEU B 44 13.863 1.382 4.024 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.481 3.335 3.477 1.00 0.17 C ATOM 0 H LEU B 44 14.164 1.403 1.027 1.00 0.13 H new ATOM 0 HA LEU B 44 13.063 -0.626 2.648 1.00 0.13 H new ATOM 0 HB2 LEU B 44 12.151 1.997 1.481 1.00 0.14 H new ATOM 0 HB3 LEU B 44 11.002 0.967 2.311 1.00 0.14 H new ATOM 0 HG LEU B 44 11.770 1.501 4.344 1.00 0.17 H new ATOM 0 HD11 LEU B 44 14.116 1.842 4.979 1.00 0.19 H new ATOM 0 HD12 LEU B 44 13.871 0.297 4.130 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.596 1.679 3.274 1.00 0.19 H new ATOM 0 HD21 LEU B 44 12.782 3.773 4.428 1.00 0.17 H new ATOM 0 HD22 LEU B 44 13.180 3.641 2.699 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.479 3.679 3.220 1.00 0.17 H new ATOM 1181 N LEU B 45 11.953 -0.367 -0.454 1.00 0.10 N ATOM 1182 CA LEU B 45 11.235 -1.064 -1.516 1.00 0.09 C ATOM 1183 C LEU B 45 11.681 -2.501 -1.530 1.00 0.08 C ATOM 1184 O LEU B 45 10.873 -3.427 -1.510 1.00 0.08 O ATOM 1185 CB LEU B 45 11.542 -0.434 -2.885 1.00 0.09 C ATOM 1186 CG LEU B 45 10.333 -0.236 -3.796 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.715 -0.383 -5.265 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.226 -1.203 -3.421 1.00 0.10 C ATOM 0 H LEU B 45 12.431 0.479 -0.763 1.00 0.10 H new ATOM 0 HA LEU B 45 10.164 -0.991 -1.330 1.00 0.09 H new ATOM 0 HB2 LEU B 45 12.017 0.534 -2.723 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.267 -1.063 -3.402 1.00 0.09 H new ATOM 0 HG LEU B 45 9.965 0.780 -3.655 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.832 -0.236 -5.887 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.468 0.363 -5.522 1.00 0.13 H new ATOM 0 HD13 LEU B 45 11.119 -1.381 -5.438 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.371 -1.050 -4.079 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.586 -2.226 -3.526 1.00 0.10 H new ATOM 0 HD23 LEU B 45 8.925 -1.028 -2.388 1.00 0.10 H new ATOM 1200 N ALA B 46 12.985 -2.655 -1.524 1.00 0.09 N ATOM 1201 CA ALA B 46 13.625 -3.937 -1.473 1.00 0.11 C ATOM 1202 C ALA B 46 13.086 -4.774 -0.342 1.00 0.11 C ATOM 1203 O ALA B 46 12.878 -5.950 -0.516 1.00 0.13 O ATOM 1204 CB ALA B 46 15.107 -3.729 -1.289 1.00 0.13 C ATOM 0 H ALA B 46 13.639 -1.873 -1.555 1.00 0.09 H new ATOM 0 HA ALA B 46 13.426 -4.467 -2.404 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.608 -4.696 -1.248 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.500 -3.152 -2.126 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.286 -3.188 -0.360 1.00 0.13 H new ATOM 1210 N GLU B 47 12.833 -4.151 0.798 1.00 0.11 N ATOM 1211 CA GLU B 47 12.420 -4.867 1.996 1.00 0.12 C ATOM 1212 C GLU B 47 10.985 -5.342 1.902 1.00 0.10 C ATOM 1213 O GLU B 47 10.651 -6.423 2.366 1.00 0.11 O ATOM 1214 CB GLU B 47 12.566 -3.975 3.219 1.00 0.16 C ATOM 1215 CG GLU B 47 13.993 -3.591 3.495 1.00 0.20 C ATOM 1216 CD GLU B 47 14.720 -4.618 4.331 1.00 0.71 C ATOM 1217 OE1 GLU B 47 14.288 -4.867 5.476 1.00 1.20 O ATOM 1218 OE2 GLU B 47 15.728 -5.176 3.851 1.00 1.43 O ATOM 0 H GLU B 47 12.907 -3.141 0.920 1.00 0.11 H new ATOM 0 HA GLU B 47 13.067 -5.739 2.088 1.00 0.12 H new ATOM 0 HB2 GLU B 47 11.973 -3.072 3.077 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.159 -4.490 4.089 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.519 -3.459 2.550 1.00 0.20 H new ATOM 0 HG3 GLU B 47 14.014 -2.630 4.008 1.00 0.20 H new ATOM 1225 N ALA B 48 10.140 -4.522 1.318 1.00 0.07 N ATOM 1226 CA ALA B 48 8.732 -4.880 1.169 1.00 0.07 C ATOM 1227 C ALA B 48 8.612 -5.944 0.123 1.00 0.08 C ATOM 1228 O ALA B 48 7.851 -6.893 0.255 1.00 0.09 O ATOM 1229 CB ALA B 48 7.871 -3.693 0.794 1.00 0.09 C ATOM 0 H ALA B 48 10.392 -3.609 0.939 1.00 0.07 H new ATOM 0 HA ALA B 48 8.373 -5.243 2.132 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.834 -4.013 0.695 1.00 0.09 H new ATOM 0 HB2 ALA B 48 7.944 -2.931 1.570 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.215 -3.279 -0.154 1.00 0.09 H new ATOM 1235 N LYS B 49 9.394 -5.779 -0.915 1.00 0.09 N ATOM 1236 CA LYS B 49 9.423 -6.723 -1.994 1.00 0.12 C ATOM 1237 C LYS B 49 10.152 -7.984 -1.528 1.00 0.15 C ATOM 1238 O LYS B 49 9.854 -9.083 -1.967 1.00 0.19 O ATOM 1239 CB LYS B 49 10.081 -6.050 -3.194 1.00 0.11 C ATOM 1240 CG LYS B 49 9.337 -4.805 -3.643 1.00 0.11 C ATOM 1241 CD LYS B 49 9.955 -4.160 -4.872 1.00 0.12 C ATOM 1242 CE LYS B 49 11.424 -3.844 -4.687 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.116 -3.639 -5.986 1.00 0.20 N ATOM 0 H LYS B 49 10.026 -4.987 -1.032 1.00 0.09 H new ATOM 0 HA LYS B 49 8.423 -7.033 -2.298 1.00 0.12 H new ATOM 0 HB2 LYS B 49 11.107 -5.784 -2.940 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.131 -6.758 -4.021 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.300 -5.064 -3.857 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.323 -4.082 -2.827 1.00 0.11 H new ATOM 0 HD2 LYS B 49 9.835 -4.826 -5.726 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.416 -3.242 -5.106 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.528 -2.948 -4.075 1.00 0.11 H new ATOM 0 HE3 LYS B 49 11.905 -4.658 -4.144 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 12.970 -3.064 -5.837 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.384 -4.561 -6.386 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.479 -3.148 -6.645 1.00 0.20 H new ATOM 1257 N LYS B 50 11.083 -7.791 -0.594 1.00 0.15 N ATOM 1258 CA LYS B 50 11.768 -8.875 0.115 1.00 0.18 C ATOM 1259 C LYS B 50 10.814 -9.622 1.025 1.00 0.20 C ATOM 1260 O LYS B 50 10.879 -10.832 1.150 1.00 0.26 O ATOM 1261 CB LYS B 50 12.877 -8.245 0.958 1.00 0.19 C ATOM 1262 CG LYS B 50 13.227 -8.989 2.236 1.00 0.24 C ATOM 1263 CD LYS B 50 14.233 -8.207 3.077 1.00 0.33 C ATOM 1264 CE LYS B 50 15.516 -7.907 2.315 1.00 1.07 C ATOM 1265 NZ LYS B 50 16.165 -9.139 1.793 1.00 1.88 N ATOM 0 H LYS B 50 11.388 -6.862 -0.303 1.00 0.15 H new ATOM 0 HA LYS B 50 12.169 -9.587 -0.606 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.775 -8.167 0.346 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.579 -7.229 1.219 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.322 -9.163 2.817 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.640 -9.967 1.988 1.00 0.24 H new ATOM 0 HD2 LYS B 50 13.780 -7.271 3.403 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.472 -8.776 3.976 1.00 0.33 H new ATOM 0 HE2 LYS B 50 15.294 -7.236 1.485 1.00 1.07 H new ATOM 0 HE3 LYS B 50 16.211 -7.383 2.971 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 17.091 -8.898 1.386 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 16.294 -9.819 2.569 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 15.564 -9.563 1.058 1.00 1.88 H new ATOM 1279 N LEU B 51 9.960 -8.873 1.684 1.00 0.17 N ATOM 1280 CA LEU B 51 8.955 -9.430 2.559 1.00 0.17 C ATOM 1281 C LEU B 51 7.910 -10.137 1.738 1.00 0.18 C ATOM 1282 O LEU B 51 7.408 -11.202 2.103 1.00 0.20 O ATOM 1283 CB LEU B 51 8.304 -8.329 3.377 1.00 0.14 C ATOM 1284 CG LEU B 51 7.217 -8.813 4.316 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.726 -9.999 5.117 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.742 -7.674 5.204 1.00 0.13 C ATOM 0 H LEU B 51 9.943 -7.855 1.628 1.00 0.17 H new ATOM 0 HA LEU B 51 9.428 -10.140 3.237 1.00 0.17 H new ATOM 0 HB2 LEU B 51 9.073 -7.822 3.960 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.879 -7.590 2.698 1.00 0.14 H new ATOM 0 HG LEU B 51 6.353 -9.149 3.742 1.00 0.12 H new ATOM 0 HD11 LEU B 51 6.943 -10.345 5.792 1.00 0.14 H new ATOM 0 HD12 LEU B 51 8.003 -10.805 4.438 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.598 -9.699 5.698 1.00 0.14 H new ATOM 0 HD21 LEU B 51 5.961 -8.036 5.873 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.579 -7.298 5.792 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.345 -6.871 4.584 1.00 0.13 H new ATOM 1298 N ASN B 52 7.563 -9.507 0.639 1.00 0.18 N ATOM 1299 CA ASN B 52 6.767 -10.149 -0.376 1.00 0.26 C ATOM 1300 C ASN B 52 7.449 -11.452 -0.738 1.00 0.37 C ATOM 1301 O ASN B 52 6.851 -12.503 -0.674 1.00 0.63 O ATOM 1302 CB ASN B 52 6.631 -9.240 -1.596 1.00 0.40 C ATOM 1303 CG ASN B 52 5.791 -9.839 -2.695 1.00 0.79 C ATOM 1304 OD1 ASN B 52 6.293 -10.551 -3.560 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.507 -9.544 -2.681 1.00 0.29 N ATOM 0 H ASN B 52 7.823 -8.544 0.427 1.00 0.18 H new ATOM 0 HA ASN B 52 5.760 -10.348 -0.009 1.00 0.26 H new ATOM 0 HB2 ASN B 52 6.190 -8.292 -1.287 1.00 0.40 H new ATOM 0 HB3 ASN B 52 7.624 -9.017 -1.987 1.00 0.40 H new ATOM 0 HD21 ASN B 52 3.891 -9.911 -3.407 1.00 0.29 H new ATOM 0 HD22 ASN B 52 4.129 -8.949 -1.944 1.00 0.29 H new ATOM 1312 N ASP B 53 8.741 -11.365 -0.985 1.00 0.31 N ATOM 1313 CA ASP B 53 9.557 -12.519 -1.358 1.00 0.37 C ATOM 1314 C ASP B 53 9.624 -13.524 -0.224 1.00 0.38 C ATOM 1315 O ASP B 53 9.767 -14.726 -0.442 1.00 0.47 O ATOM 1316 CB ASP B 53 10.977 -12.068 -1.702 1.00 0.38 C ATOM 1317 CG ASP B 53 11.100 -11.503 -3.102 1.00 0.93 C ATOM 1318 OD1 ASP B 53 10.329 -11.919 -3.994 1.00 1.59 O ATOM 1319 OD2 ASP B 53 11.987 -10.652 -3.327 1.00 1.71 O ATOM 0 H ASP B 53 9.263 -10.490 -0.934 1.00 0.31 H new ATOM 0 HA ASP B 53 9.095 -12.990 -2.226 1.00 0.37 H new ATOM 0 HB2 ASP B 53 11.296 -11.313 -0.983 1.00 0.38 H new ATOM 0 HB3 ASP B 53 11.656 -12.915 -1.598 1.00 0.38 H new ATOM 1324 N ALA B 54 9.508 -13.017 0.992 1.00 0.30 N ATOM 1325 CA ALA B 54 9.696 -13.825 2.173 1.00 0.30 C ATOM 1326 C ALA B 54 8.546 -14.790 2.366 1.00 0.27 C ATOM 1327 O ALA B 54 8.727 -15.922 2.806 1.00 0.32 O ATOM 1328 CB ALA B 54 9.811 -12.929 3.389 1.00 0.27 C ATOM 0 H ALA B 54 9.282 -12.041 1.182 1.00 0.30 H new ATOM 0 HA ALA B 54 10.612 -14.403 2.047 1.00 0.30 H new ATOM 0 HB1 ALA B 54 9.953 -13.541 4.280 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.663 -12.260 3.269 1.00 0.27 H new ATOM 0 HB3 ALA B 54 8.900 -12.340 3.495 1.00 0.27 H new ATOM 1334 N GLN B 55 7.358 -14.323 2.041 1.00 0.23 N ATOM 1335 CA GLN B 55 6.150 -15.066 2.336 1.00 0.23 C ATOM 1336 C GLN B 55 5.452 -15.523 1.061 1.00 0.27 C ATOM 1337 O GLN B 55 4.556 -16.368 1.103 1.00 0.34 O ATOM 1338 CB GLN B 55 5.218 -14.185 3.145 1.00 0.21 C ATOM 1339 CG GLN B 55 5.877 -13.577 4.357 1.00 0.18 C ATOM 1340 CD GLN B 55 4.966 -12.593 5.026 1.00 0.20 C ATOM 1341 OE1 GLN B 55 4.259 -12.909 5.982 1.00 0.27 O ATOM 1342 NE2 GLN B 55 4.924 -11.408 4.469 1.00 0.19 N ATOM 0 H GLN B 55 7.203 -13.431 1.572 1.00 0.23 H new ATOM 0 HA GLN B 55 6.418 -15.957 2.905 1.00 0.23 H new ATOM 0 HB2 GLN B 55 4.839 -13.387 2.507 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.358 -14.774 3.464 1.00 0.21 H new ATOM 0 HG2 GLN B 55 6.148 -14.364 5.061 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.801 -13.080 4.062 1.00 0.18 H new ATOM 0 HE21 GLN B 55 5.531 -11.195 3.678 1.00 0.19 H new ATOM 0 HE22 GLN B 55 4.284 -10.699 4.827 1.00 0.19 H new ATOM 1351 N ALA B 56 5.864 -14.939 -0.064 1.00 0.27 N ATOM 1352 CA ALA B 56 5.259 -15.206 -1.365 1.00 0.32 C ATOM 1353 C ALA B 56 5.149 -16.699 -1.689 1.00 0.38 C ATOM 1354 O ALA B 56 4.050 -17.189 -1.958 1.00 0.41 O ATOM 1355 CB ALA B 56 6.043 -14.492 -2.444 1.00 0.39 C ATOM 0 H ALA B 56 6.629 -14.266 -0.097 1.00 0.27 H new ATOM 0 HA ALA B 56 4.238 -14.827 -1.325 1.00 0.32 H new ATOM 0 HB1 ALA B 56 5.590 -14.692 -3.415 1.00 0.39 H new ATOM 0 HB2 ALA B 56 6.032 -13.419 -2.252 1.00 0.39 H new ATOM 0 HB3 ALA B 56 7.073 -14.850 -2.443 1.00 0.39 H new ATOM 1416 N GLY C 36 -11.294 -7.432 -3.875 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.479 -6.883 -2.816 1.00 0.20 C ATOM 1418 C GLY C 36 -9.656 -5.699 -3.274 1.00 0.15 C ATOM 1419 O GLY C 36 -9.835 -5.201 -4.385 1.00 0.22 O ATOM 0 HA2 GLY C 36 -11.120 -6.578 -1.989 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -9.814 -7.658 -2.434 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.767 -5.237 -2.411 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.860 -4.151 -2.749 1.00 0.09 C ATOM 1425 C VAL C 37 -6.418 -4.626 -2.581 1.00 0.10 C ATOM 1426 O VAL C 37 -6.077 -5.283 -1.596 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.098 -2.908 -1.861 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.534 -2.435 -1.959 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.732 -3.196 -0.416 1.00 0.10 C ATOM 0 H VAL C 37 -8.653 -5.600 -1.464 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.048 -3.865 -3.784 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.451 -2.111 -2.227 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.673 -1.560 -1.324 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.761 -2.174 -2.993 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.202 -3.231 -1.631 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.908 -2.306 0.188 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.345 -4.016 -0.042 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.680 -3.473 -0.356 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.590 -4.330 -3.554 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.190 -4.710 -3.507 1.00 0.11 C ATOM 1441 C LEU C 38 -3.311 -3.522 -3.133 1.00 0.12 C ATOM 1442 O LEU C 38 -3.470 -2.431 -3.673 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.790 -5.300 -4.868 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.294 -5.331 -5.193 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -1.524 -5.986 -4.082 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -2.039 -6.083 -6.485 1.00 0.74 C ATOM 0 H LEU C 38 -5.860 -3.823 -4.397 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.043 -5.465 -2.734 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.171 -6.320 -4.921 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.295 -4.730 -5.647 1.00 0.13 H new ATOM 0 HG LEU C 38 -1.959 -4.300 -5.306 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -0.463 -5.998 -4.332 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -1.672 -5.427 -3.158 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -1.877 -7.009 -3.948 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -0.970 -6.092 -6.696 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -2.398 -7.107 -6.387 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -2.566 -5.591 -7.303 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.386 -3.739 -2.202 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.427 -2.719 -1.841 1.00 0.10 C ATOM 1460 C TYR C 39 -0.406 -2.604 -2.943 1.00 0.12 C ATOM 1461 O TYR C 39 0.343 -3.543 -3.225 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.722 -3.033 -0.524 1.00 0.14 C ATOM 1463 CG TYR C 39 0.257 -1.951 -0.098 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.533 -1.879 -0.646 1.00 1.12 C ATOM 1465 CD2 TYR C 39 -0.097 -1.002 0.850 1.00 1.09 C ATOM 1466 CE1 TYR C 39 2.425 -0.898 -0.263 1.00 1.12 C ATOM 1467 CE2 TYR C 39 0.789 -0.017 1.240 1.00 1.09 C ATOM 1468 CZ TYR C 39 2.049 0.030 0.681 1.00 0.16 C ATOM 1469 OH TYR C 39 2.935 1.006 1.072 1.00 0.17 O ATOM 0 H TYR C 39 -2.287 -4.615 -1.688 1.00 0.10 H new ATOM 0 HA TYR C 39 -1.963 -1.779 -1.708 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.469 -3.167 0.258 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.189 -3.979 -0.621 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.832 -2.606 -1.387 1.00 1.12 H new ATOM 0 HD2 TYR C 39 -1.082 -1.034 1.291 1.00 1.09 H new ATOM 0 HE1 TYR C 39 3.411 -0.859 -0.701 1.00 1.12 H new ATOM 0 HE2 TYR C 39 0.496 0.714 1.980 1.00 1.09 H new ATOM 0 HH TYR C 39 3.850 0.660 1.014 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.396 -1.468 -3.575 1.00 0.10 N ATOM 1480 CA VAL C 40 0.561 -1.208 -4.617 1.00 0.11 C ATOM 1481 C VAL C 40 1.355 0.051 -4.314 1.00 0.10 C ATOM 1482 O VAL C 40 0.882 0.959 -3.639 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.135 -1.068 -5.981 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.055 0.121 -5.985 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.875 -0.942 -7.101 1.00 0.13 C ATOM 0 H VAL C 40 -1.042 -0.701 -3.388 1.00 0.10 H new ATOM 0 HA VAL C 40 1.244 -2.056 -4.659 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.721 -1.972 -6.148 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.538 0.204 -6.958 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.814 -0.003 -5.212 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.481 1.026 -5.787 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.353 -0.845 -8.053 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.494 -0.060 -6.935 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.507 -1.830 -7.123 1.00 0.13 H new ATOM 1495 N GLY C 41 2.568 0.078 -4.800 1.00 0.10 N ATOM 1496 CA GLY C 41 3.384 1.250 -4.705 1.00 0.09 C ATOM 1497 C GLY C 41 3.905 1.647 -6.058 1.00 0.09 C ATOM 1498 O GLY C 41 3.804 0.879 -7.011 1.00 0.09 O ATOM 0 H GLY C 41 3.013 -0.710 -5.270 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.805 2.069 -4.279 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.218 1.064 -4.029 1.00 0.09 H new ATOM 1502 N SER C 42 4.482 2.822 -6.146 1.00 0.11 N ATOM 1503 CA SER C 42 5.010 3.308 -7.403 1.00 0.12 C ATOM 1504 C SER C 42 6.348 3.982 -7.156 1.00 0.15 C ATOM 1505 O SER C 42 6.464 4.896 -6.337 1.00 0.17 O ATOM 1506 CB SER C 42 4.021 4.261 -8.084 1.00 0.12 C ATOM 1507 OG SER C 42 4.418 4.554 -9.411 1.00 0.15 O ATOM 0 H SER C 42 4.599 3.462 -5.361 1.00 0.11 H new ATOM 0 HA SER C 42 5.158 2.467 -8.080 1.00 0.12 H new ATOM 0 HB2 SER C 42 3.027 3.813 -8.090 1.00 0.12 H new ATOM 0 HB3 SER C 42 3.951 5.186 -7.511 1.00 0.12 H new ATOM 0 HG SER C 42 3.768 5.162 -9.820 1.00 0.15 H new ATOM 1513 N LYS C 43 7.356 3.486 -7.845 1.00 0.16 N ATOM 1514 CA LYS C 43 8.722 3.919 -7.648 1.00 0.19 C ATOM 1515 C LYS C 43 9.004 5.209 -8.402 1.00 0.19 C ATOM 1516 O LYS C 43 9.075 5.219 -9.623 1.00 0.19 O ATOM 1517 CB LYS C 43 9.664 2.831 -8.132 1.00 0.20 C ATOM 1518 CG LYS C 43 11.102 3.092 -7.784 1.00 0.23 C ATOM 1519 CD LYS C 43 11.269 3.125 -6.286 1.00 0.28 C ATOM 1520 CE LYS C 43 12.667 3.474 -5.852 1.00 0.34 C ATOM 1521 NZ LYS C 43 13.201 4.679 -6.544 1.00 0.89 N ATOM 0 H LYS C 43 7.248 2.767 -8.561 1.00 0.16 H new ATOM 0 HA LYS C 43 8.877 4.106 -6.585 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.360 1.878 -7.699 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.571 2.734 -9.214 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.736 2.315 -8.212 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.424 4.040 -8.216 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.573 3.851 -5.865 1.00 0.28 H new ATOM 0 HD3 LYS C 43 11.001 2.152 -5.876 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.677 3.645 -4.775 1.00 0.34 H new ATOM 0 HE3 LYS C 43 13.325 2.627 -6.046 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 13.922 5.132 -5.946 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.629 4.398 -7.449 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 12.426 5.350 -6.720 1.00 0.89 H new ATOM 1535 N THR C 44 9.199 6.285 -7.672 1.00 0.23 N ATOM 1536 CA THR C 44 9.317 7.604 -8.278 1.00 0.26 C ATOM 1537 C THR C 44 10.520 8.364 -7.700 1.00 0.34 C ATOM 1538 O THR C 44 11.454 7.740 -7.192 1.00 0.37 O ATOM 1539 CB THR C 44 8.029 8.426 -8.049 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.979 8.904 -6.695 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.780 7.602 -8.317 1.00 0.26 C ATOM 0 H THR C 44 9.280 6.278 -6.655 1.00 0.23 H new ATOM 0 HA THR C 44 9.467 7.466 -9.349 1.00 0.26 H new ATOM 0 HB THR C 44 8.055 9.263 -8.747 1.00 0.30 H new ATOM 0 HG1 THR C 44 7.160 9.425 -6.562 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.896 8.215 -8.145 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.787 7.257 -9.351 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.761 6.742 -7.648 1.00 0.26 H new ATOM 1549 N LYS C 45 10.497 9.702 -7.786 1.00 0.40 N ATOM 1550 CA LYS C 45 11.547 10.531 -7.188 1.00 0.49 C ATOM 1551 C LYS C 45 11.533 10.402 -5.668 1.00 0.50 C ATOM 1552 O LYS C 45 12.587 10.347 -5.030 1.00 0.57 O ATOM 1553 CB LYS C 45 11.385 12.004 -7.580 1.00 0.59 C ATOM 1554 CG LYS C 45 11.641 12.285 -9.052 1.00 1.53 C ATOM 1555 CD LYS C 45 11.588 13.777 -9.344 1.00 2.10 C ATOM 1556 CE LYS C 45 11.933 14.085 -10.795 1.00 2.43 C ATOM 1557 NZ LYS C 45 10.920 13.547 -11.743 1.00 3.18 N ATOM 0 H LYS C 45 9.765 10.229 -8.262 1.00 0.40 H new ATOM 0 HA LYS C 45 12.503 10.174 -7.570 1.00 0.49 H new ATOM 0 HB2 LYS C 45 10.374 12.327 -7.330 1.00 0.59 H new ATOM 0 HB3 LYS C 45 12.069 12.606 -6.982 1.00 0.59 H new ATOM 0 HG2 LYS C 45 12.617 11.891 -9.336 1.00 1.53 H new ATOM 0 HG3 LYS C 45 10.899 11.766 -9.659 1.00 1.53 H new ATOM 0 HD2 LYS C 45 10.591 14.155 -9.120 1.00 2.10 H new ATOM 0 HD3 LYS C 45 12.283 14.300 -8.687 1.00 2.10 H new ATOM 0 HE2 LYS C 45 12.013 15.164 -10.926 1.00 2.43 H new ATOM 0 HE3 LYS C 45 12.909 13.662 -11.032 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 11.171 13.825 -12.713 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 10.897 12.509 -11.675 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 9.983 13.930 -11.504 1.00 3.18 H new ATOM 1571 N GLU C 46 10.334 10.359 -5.088 1.00 0.47 N ATOM 1572 CA GLU C 46 10.194 10.073 -3.665 1.00 0.51 C ATOM 1573 C GLU C 46 10.548 8.616 -3.453 1.00 0.48 C ATOM 1574 O GLU C 46 11.154 8.232 -2.455 1.00 0.55 O ATOM 1575 CB GLU C 46 8.759 10.324 -3.197 1.00 0.51 C ATOM 1576 CG GLU C 46 8.252 11.723 -3.493 1.00 0.63 C ATOM 1577 CD GLU C 46 6.823 11.923 -3.035 1.00 0.73 C ATOM 1578 OE1 GLU C 46 6.617 12.276 -1.854 1.00 0.88 O ATOM 1579 OE2 GLU C 46 5.898 11.730 -3.850 1.00 0.72 O ATOM 0 H GLU C 46 9.454 10.517 -5.579 1.00 0.47 H new ATOM 0 HA GLU C 46 10.853 10.725 -3.091 1.00 0.51 H new ATOM 0 HB2 GLU C 46 8.099 9.600 -3.676 1.00 0.51 H new ATOM 0 HB3 GLU C 46 8.701 10.147 -2.123 1.00 0.51 H new ATOM 0 HG2 GLU C 46 8.895 12.452 -3.000 1.00 0.63 H new ATOM 0 HG3 GLU C 46 8.318 11.912 -4.564 1.00 0.63 H new ATOM 1586 N GLY C 47 10.135 7.831 -4.430 1.00 0.38 N ATOM 1587 CA GLY C 47 10.560 6.468 -4.585 1.00 0.40 C ATOM 1588 C GLY C 47 9.531 5.459 -4.148 1.00 0.31 C ATOM 1589 O GLY C 47 9.521 4.355 -4.648 1.00 0.38 O ATOM 0 H GLY C 47 9.480 8.138 -5.150 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.808 6.291 -5.632 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.474 6.314 -4.011 1.00 0.40 H new ATOM 1593 N VAL C 48 8.601 5.836 -3.302 1.00 0.21 N ATOM 1594 CA VAL C 48 7.532 4.917 -2.939 1.00 0.15 C ATOM 1595 C VAL C 48 6.278 5.684 -2.557 1.00 0.10 C ATOM 1596 O VAL C 48 6.299 6.510 -1.646 1.00 0.12 O ATOM 1597 CB VAL C 48 7.944 3.946 -1.789 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.759 3.177 -1.255 1.00 0.15 C ATOM 1599 CG2 VAL C 48 8.994 2.955 -2.251 1.00 0.20 C ATOM 0 H VAL C 48 8.556 6.752 -2.856 1.00 0.21 H new ATOM 0 HA VAL C 48 7.327 4.306 -3.818 1.00 0.15 H new ATOM 0 HB VAL C 48 8.355 4.570 -0.995 1.00 0.15 H new ATOM 0 HG11 VAL C 48 7.087 2.512 -0.456 1.00 0.15 H new ATOM 0 HG12 VAL C 48 6.018 3.875 -0.865 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.316 2.588 -2.058 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.258 2.294 -1.426 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.598 2.364 -3.077 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.882 3.494 -2.583 1.00 0.20 H new ATOM 1609 N VAL C 49 5.203 5.425 -3.274 1.00 0.09 N ATOM 1610 CA VAL C 49 3.898 5.925 -2.889 1.00 0.07 C ATOM 1611 C VAL C 49 2.987 4.753 -2.590 1.00 0.08 C ATOM 1612 O VAL C 49 3.092 3.703 -3.218 1.00 0.12 O ATOM 1613 CB VAL C 49 3.252 6.821 -3.970 1.00 0.07 C ATOM 1614 CG1 VAL C 49 3.040 6.053 -5.270 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.936 7.395 -3.454 1.00 0.09 C ATOM 0 H VAL C 49 5.207 4.869 -4.129 1.00 0.09 H new ATOM 0 HA VAL C 49 4.036 6.547 -2.004 1.00 0.07 H new ATOM 0 HB VAL C 49 3.932 7.645 -4.186 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.584 6.710 -6.011 1.00 0.07 H new ATOM 0 HG12 VAL C 49 4.000 5.697 -5.643 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.384 5.202 -5.087 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.488 8.025 -4.222 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.254 6.580 -3.210 1.00 0.09 H new ATOM 0 HG23 VAL C 49 2.124 7.991 -2.561 1.00 0.09 H new ATOM 1625 N HIS C 50 2.112 4.928 -1.628 1.00 0.08 N ATOM 1626 CA HIS C 50 1.239 3.859 -1.192 1.00 0.09 C ATOM 1627 C HIS C 50 -0.110 4.015 -1.863 1.00 0.07 C ATOM 1628 O HIS C 50 -0.859 4.952 -1.575 1.00 0.09 O ATOM 1629 CB HIS C 50 1.073 3.897 0.331 1.00 0.13 C ATOM 1630 CG HIS C 50 2.231 4.525 1.040 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.471 3.933 1.083 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.283 5.714 1.668 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.249 4.779 1.734 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.571 5.875 2.110 1.00 0.26 N ATOM 0 H HIS C 50 1.984 5.808 -1.128 1.00 0.08 H new ATOM 0 HA HIS C 50 1.677 2.900 -1.468 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.165 4.447 0.576 1.00 0.13 H new ATOM 0 HB3 HIS C 50 0.939 2.880 0.700 1.00 0.13 H new ATOM 0 HD1 HIS C 50 3.735 3.028 0.693 1.00 0.23 H new ATOM 0 HD2 HIS C 50 1.466 6.409 1.799 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.296 4.611 1.938 1.00 0.28 H new ATOM 1642 N GLY C 51 -0.397 3.125 -2.782 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.660 3.158 -3.462 1.00 0.05 C ATOM 1644 C GLY C 51 -2.380 1.847 -3.342 1.00 0.06 C ATOM 1645 O GLY C 51 -1.914 0.931 -2.662 1.00 0.07 O ATOM 0 H GLY C 51 0.228 2.373 -3.072 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.278 3.954 -3.046 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.502 3.393 -4.515 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.509 1.739 -4.005 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.297 0.533 -3.926 1.00 0.08 C ATOM 1651 C VAL C 52 -4.849 0.158 -5.277 1.00 0.09 C ATOM 1652 O VAL C 52 -5.402 0.985 -5.988 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.440 0.634 -2.866 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.728 2.072 -2.472 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.722 -0.006 -3.356 1.00 0.08 C ATOM 0 H VAL C 52 -3.900 2.468 -4.602 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.626 -0.259 -3.594 1.00 0.08 H new ATOM 0 HB VAL C 52 -5.081 0.092 -1.991 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.529 2.093 -1.733 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.830 2.519 -2.046 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -6.032 2.637 -3.353 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.491 0.086 -2.589 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -7.054 0.495 -4.265 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.545 -1.061 -3.567 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.681 -1.102 -5.617 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.211 -1.631 -6.842 1.00 0.10 C ATOM 1667 C ALA C 53 -6.436 -2.450 -6.515 1.00 0.09 C ATOM 1668 O ALA C 53 -6.331 -3.546 -5.974 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.170 -2.487 -7.540 1.00 0.11 C ATOM 0 H ALA C 53 -4.174 -1.781 -5.050 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.480 -0.817 -7.515 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.586 -2.881 -8.467 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.292 -1.881 -7.765 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -3.884 -3.314 -6.890 1.00 0.11 H new ATOM 1675 N THR C 54 -7.592 -1.924 -6.831 1.00 0.09 N ATOM 1676 CA THR C 54 -8.821 -2.592 -6.454 1.00 0.12 C ATOM 1677 C THR C 54 -9.186 -3.619 -7.509 1.00 0.19 C ATOM 1678 O THR C 54 -9.480 -3.287 -8.659 1.00 0.45 O ATOM 1679 CB THR C 54 -9.970 -1.594 -6.209 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.221 -2.278 -6.059 1.00 0.23 O ATOM 1681 CG2 THR C 54 -10.056 -0.588 -7.332 1.00 0.14 C ATOM 0 H THR C 54 -7.713 -1.049 -7.341 1.00 0.09 H new ATOM 0 HA THR C 54 -8.657 -3.105 -5.506 1.00 0.12 H new ATOM 0 HB THR C 54 -9.756 -1.062 -5.282 1.00 0.14 H new ATOM 0 HG1 THR C 54 -11.934 -1.625 -5.903 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.874 0.106 -7.137 1.00 0.14 H new ATOM 0 HG22 THR C 54 -9.119 -0.035 -7.398 1.00 0.14 H new ATOM 0 HG23 THR C 54 -10.237 -1.108 -8.273 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.150 -4.872 -7.101 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.249 -5.983 -8.022 1.00 0.29 C ATOM 1691 C VAL C 55 -10.666 -6.536 -8.087 1.00 0.36 C ATOM 1692 O VAL C 55 -11.279 -6.844 -7.063 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.243 -7.095 -7.641 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -8.273 -7.375 -6.142 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -8.513 -8.362 -8.434 1.00 0.39 C ATOM 0 H VAL C 55 -9.051 -5.147 -6.124 1.00 0.23 H new ATOM 0 HA VAL C 55 -8.998 -5.612 -9.016 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.243 -6.742 -7.894 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.556 -8.161 -5.904 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -8.011 -6.468 -5.597 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -9.273 -7.697 -5.852 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -7.793 -9.130 -8.149 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -9.523 -8.715 -8.223 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -8.417 -8.152 -9.499 1.00 0.39 H new ATOM 1705 N ALA C 56 -11.173 -6.650 -9.307 1.00 0.49 N ATOM 1706 CA ALA C 56 -12.506 -7.166 -9.552 1.00 0.64 C ATOM 1707 C ALA C 56 -12.560 -8.666 -9.298 1.00 0.75 C ATOM 1708 O ALA C 56 -13.245 -9.088 -8.343 1.00 1.43 O ATOM 1709 CB ALA C 56 -12.923 -6.846 -10.976 1.00 0.86 C ATOM 1710 OXT ALA C 56 -11.882 -9.417 -10.029 1.00 1.16 O ATOM 0 H ALA C 56 -10.668 -6.386 -10.153 1.00 0.49 H new ATOM 0 HA ALA C 56 -13.202 -6.687 -8.863 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -13.925 -7.235 -11.158 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -12.921 -5.766 -11.122 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -12.223 -7.307 -11.673 1.00 0.86 H new