USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 923 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 ASN :FLIP amide:sc= -0.75 F(o=-8.4!,f=-5) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.25! C(o=-5!,f=-14!) USER MOD Set 2.1: B 26 GLN :FLIP amide:sc= -1.68! C(o=-17!,f=-3!) USER MOD Set 2.2: B 55 GLN :FLIP amide:sc= -1.28 F(o=-4!,f=-3) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.59 X(o=-9.5,f=-10) USER MOD Set 3.2: A 52 ASN : amide:sc= -7.89! C(o=-9.5!,f=-18!) USER MOD Set 4.1: A 39 SER OG : rot -52:sc= 1.02 USER MOD Set 4.2: A 40 GLN : amide:sc= -0.613 X(o=0.4,f=0.85) USER MOD Set 5.1: A 23 ASN : amide:sc= -4.83! C(o=-8!,f=-16!) USER MOD Set 5.2: A 26 GLN :FLIP amide:sc= -1.19 F(o=-11!,f=-8) USER MOD Set 5.3: A 55 GLN :FLIP amide:sc= -1.97! C(o=-12!,f=-8!) USER MOD Set 6.1: A 13 THR OG1 : rot 119:sc= -2.09 USER MOD Set 6.2: B 17 MET CE :methyl -123:sc= -11.8! (180deg=-11.7!) USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.0873 (180deg=-0.649) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= -0.0113 (180deg=-0.226) USER MOD Single : A 6 ASN : amide:sc= -4.57! C(o=-4.6!,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ -130:sc= -0.101 (180deg=-0.607) USER MOD Single : A 18 ASN :FLIP amide:sc= -3.43 F(o=-4.9,f=-3.4) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.401 (180deg=-2.26) USER MOD Single : A 33 SER OG : rot 74:sc= 1.1 USER MOD Single : A 41 SER OG : rot -148:sc= -7.47! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= -1.32 (180deg=-1.32) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= 0.608 (180deg=0.318) USER MOD Single : A 58 LYS NZ :NH3+ -123:sc= -0.761 (180deg=-2.75!) USER MOD Single : B 1 VAL N :NH3+ -160:sc= -0.106 (180deg=-0.695) USER MOD Single : B 3 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.5) USER MOD Single : B 4 LYS NZ :NH3+ -137:sc= -0.326 (180deg=-2.96!) USER MOD Single : B 6 ASN : amide:sc= -2.37! K(o=-2.4!,f=-3.3) USER MOD Single : B 7 LYS NZ :NH3+ -122:sc= -1.99 (180deg=-5.39!) USER MOD Single : B 23 ASN : amide:sc= -7.74! C(o=-7.7!,f=-16!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 32 ASN :FLIP amide:sc= -3.07! C(o=-3.8!,f=-3.1!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 150:sc= -1.24 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0573 F(o=-0.81,f=-0.057) USER MOD Single : B 49 LYS NZ :NH3+ 149:sc= 1.08 (180deg=-0.755) USER MOD Single : B 50 LYS NZ :NH3+ 147:sc= -1.82 (180deg=-3.6!) USER MOD Single : B 58 LYS NZ :NH3+ -159:sc= 1.28 (180deg=0.611) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.440 -17.110 4.548 1.00 0.00 N ATOM 2 CA VAL A 1 11.695 -15.642 4.615 1.00 0.00 C ATOM 3 C VAL A 1 10.535 -14.963 5.343 1.00 0.00 C ATOM 4 O VAL A 1 9.385 -15.395 5.234 1.00 0.00 O ATOM 5 CB VAL A 1 11.830 -15.078 3.189 1.00 0.00 C ATOM 6 CG1 VAL A 1 12.140 -13.574 3.243 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.965 -15.803 2.451 1.00 0.00 C ATOM 0 H1 VAL A 1 12.335 -17.610 4.374 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.032 -17.433 5.448 1.00 0.00 H new ATOM 0 H3 VAL A 1 10.775 -17.312 3.774 1.00 0.00 H new ATOM 0 HA VAL A 1 12.620 -15.451 5.159 1.00 0.00 H new ATOM 0 HB VAL A 1 10.890 -15.233 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.234 -13.185 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 1 11.332 -13.054 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.075 -13.414 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.058 -15.401 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.902 -15.654 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.742 -16.869 2.398 1.00 0.00 H new ATOM 19 N ASP A 2 10.849 -13.895 6.077 1.00 0.00 N ATOM 20 CA ASP A 2 9.834 -13.151 6.817 1.00 0.00 C ATOM 21 C ASP A 2 9.001 -12.292 5.872 1.00 0.00 C ATOM 22 O ASP A 2 9.533 -11.425 5.181 1.00 0.00 O ATOM 23 CB ASP A 2 10.496 -12.250 7.867 1.00 0.00 C ATOM 24 CG ASP A 2 9.433 -11.405 8.578 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.838 -11.903 9.519 1.00 0.00 O ATOM 26 OD2 ASP A 2 9.222 -10.277 8.158 1.00 0.00 O ATOM 0 H ASP A 2 11.796 -13.528 6.174 1.00 0.00 H new ATOM 0 HA ASP A 2 9.183 -13.870 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.034 -12.859 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.230 -11.600 7.390 1.00 0.00 H new ATOM 31 N ASN A 3 7.693 -12.537 5.867 1.00 0.00 N ATOM 32 CA ASN A 3 6.772 -11.776 5.027 1.00 0.00 C ATOM 33 C ASN A 3 6.004 -10.758 5.870 1.00 0.00 C ATOM 34 O ASN A 3 5.134 -10.053 5.358 1.00 0.00 O ATOM 35 CB ASN A 3 5.791 -12.729 4.330 1.00 0.00 C ATOM 36 CG ASN A 3 6.558 -13.745 3.483 1.00 0.00 C ATOM 37 OD1 ASN A 3 7.486 -13.381 2.760 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.226 -15.005 3.534 1.00 0.00 N ATOM 0 H ASN A 3 7.247 -13.257 6.435 1.00 0.00 H new ATOM 0 HA ASN A 3 7.346 -11.241 4.271 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.185 -13.247 5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.106 -12.162 3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.735 -15.690 2.975 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.457 -15.306 4.133 1.00 0.00 H new ATOM 45 N LYS A 4 6.331 -10.684 7.169 1.00 0.00 N ATOM 46 CA LYS A 4 5.658 -9.745 8.067 1.00 0.00 C ATOM 47 C LYS A 4 5.881 -8.311 7.598 1.00 0.00 C ATOM 48 O LYS A 4 4.934 -7.536 7.509 1.00 0.00 O ATOM 49 CB LYS A 4 6.169 -9.918 9.507 1.00 0.00 C ATOM 50 CG LYS A 4 5.418 -8.976 10.461 1.00 0.00 C ATOM 51 CD LYS A 4 3.999 -9.506 10.695 1.00 0.00 C ATOM 52 CE LYS A 4 3.275 -8.628 11.722 1.00 0.00 C ATOM 53 NZ LYS A 4 3.861 -8.854 13.074 1.00 0.00 N ATOM 0 H LYS A 4 7.049 -11.257 7.613 1.00 0.00 H new ATOM 0 HA LYS A 4 4.589 -9.957 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.034 -10.952 9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.238 -9.710 9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.950 -8.902 11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.377 -7.972 10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.445 -9.514 9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.040 -10.536 11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.366 -7.577 11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.211 -8.864 11.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.215 -8.481 13.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.001 -9.873 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.776 -8.365 13.142 1.00 0.00 H new ATOM 67 N PHE A 5 7.133 -7.971 7.286 1.00 0.00 N ATOM 68 CA PHE A 5 7.460 -6.635 6.814 1.00 0.00 C ATOM 69 C PHE A 5 6.641 -6.312 5.568 1.00 0.00 C ATOM 70 O PHE A 5 6.162 -5.200 5.421 1.00 0.00 O ATOM 71 CB PHE A 5 8.971 -6.504 6.542 1.00 0.00 C ATOM 72 CG PHE A 5 9.321 -6.976 5.144 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.414 -8.346 4.867 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.550 -6.039 4.124 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.735 -8.779 3.575 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.872 -6.475 2.835 1.00 0.00 C ATOM 77 CZ PHE A 5 9.965 -7.844 2.560 1.00 0.00 C ATOM 0 H PHE A 5 7.931 -8.603 7.353 1.00 0.00 H new ATOM 0 HA PHE A 5 7.206 -5.913 7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.276 -5.465 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.527 -7.088 7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.238 -9.068 5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.478 -4.982 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.805 -9.835 3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.049 -5.754 2.051 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.214 -8.179 1.564 1.00 0.00 H new ATOM 87 N ASN A 6 6.467 -7.309 4.689 1.00 0.00 N ATOM 88 CA ASN A 6 5.671 -7.132 3.480 1.00 0.00 C ATOM 89 C ASN A 6 4.219 -6.912 3.857 1.00 0.00 C ATOM 90 O ASN A 6 3.538 -6.051 3.304 1.00 0.00 O ATOM 91 CB ASN A 6 5.761 -8.389 2.623 1.00 0.00 C ATOM 92 CG ASN A 6 5.075 -8.185 1.280 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.002 -7.074 0.782 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.548 -9.209 0.675 1.00 0.00 N ATOM 0 H ASN A 6 6.868 -8.241 4.797 1.00 0.00 H new ATOM 0 HA ASN A 6 6.050 -6.272 2.927 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.807 -8.651 2.465 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.299 -9.225 3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.072 -9.084 -0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.611 -10.137 1.094 1.00 0.00 H new ATOM 101 N LYS A 7 3.767 -7.708 4.823 1.00 0.00 N ATOM 102 CA LYS A 7 2.407 -7.625 5.309 1.00 0.00 C ATOM 103 C LYS A 7 2.201 -6.246 5.884 1.00 0.00 C ATOM 104 O LYS A 7 1.204 -5.595 5.630 1.00 0.00 O ATOM 105 CB LYS A 7 2.195 -8.675 6.412 1.00 0.00 C ATOM 106 CG LYS A 7 0.724 -9.085 6.510 1.00 0.00 C ATOM 107 CD LYS A 7 0.391 -10.051 5.373 1.00 0.00 C ATOM 108 CE LYS A 7 -1.026 -10.595 5.547 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.105 -11.412 6.791 1.00 0.00 N ATOM 0 H LYS A 7 4.334 -8.421 5.283 1.00 0.00 H new ATOM 0 HA LYS A 7 1.701 -7.810 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.807 -9.553 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.528 -8.273 7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.530 -9.558 7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.085 -8.204 6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.478 -9.540 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.106 -10.873 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.738 -9.771 5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.301 -11.202 4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.545 -12.329 6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.147 -11.567 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.678 -10.911 7.500 1.00 0.00 H new ATOM 123 N GLU A 8 3.184 -5.818 6.659 1.00 0.00 N ATOM 124 CA GLU A 8 3.139 -4.517 7.288 1.00 0.00 C ATOM 125 C GLU A 8 3.358 -3.401 6.274 1.00 0.00 C ATOM 126 O GLU A 8 2.694 -2.373 6.324 1.00 0.00 O ATOM 127 CB GLU A 8 4.180 -4.449 8.408 1.00 0.00 C ATOM 128 CG GLU A 8 3.776 -5.376 9.570 1.00 0.00 C ATOM 129 CD GLU A 8 2.354 -5.068 10.053 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.101 -3.928 10.412 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.542 -5.980 10.059 1.00 0.00 O ATOM 0 H GLU A 8 4.024 -6.358 6.866 1.00 0.00 H new ATOM 0 HA GLU A 8 2.147 -4.374 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.157 -4.741 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.272 -3.424 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.837 -6.416 9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.478 -5.256 10.396 1.00 0.00 H new ATOM 138 N LEU A 9 4.256 -3.637 5.330 1.00 0.00 N ATOM 139 CA LEU A 9 4.525 -2.673 4.262 1.00 0.00 C ATOM 140 C LEU A 9 3.230 -2.459 3.515 1.00 0.00 C ATOM 141 O LEU A 9 2.865 -1.335 3.181 1.00 0.00 O ATOM 142 CB LEU A 9 5.616 -3.221 3.325 1.00 0.00 C ATOM 143 CG LEU A 9 5.793 -2.298 2.104 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.638 -1.066 2.430 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.483 -3.063 0.994 1.00 0.00 C ATOM 0 H LEU A 9 4.815 -4.489 5.278 1.00 0.00 H new ATOM 0 HA LEU A 9 4.885 -1.727 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.559 -3.304 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.349 -4.225 2.994 1.00 0.00 H new ATOM 0 HG LEU A 9 4.800 -1.966 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.735 -0.445 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.155 -0.492 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.627 -1.381 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.610 -2.413 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.460 -3.403 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.877 -3.925 0.715 1.00 0.00 H new ATOM 157 N GLY A 10 2.517 -3.550 3.304 1.00 0.00 N ATOM 158 CA GLY A 10 1.250 -3.498 2.653 1.00 0.00 C ATOM 159 C GLY A 10 0.198 -2.946 3.590 1.00 0.00 C ATOM 160 O GLY A 10 -0.669 -2.176 3.188 1.00 0.00 O ATOM 0 H GLY A 10 2.811 -4.486 3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.317 -2.873 1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.963 -4.496 2.321 1.00 0.00 H new ATOM 164 N TRP A 11 0.236 -3.380 4.844 1.00 0.00 N ATOM 165 CA TRP A 11 -0.773 -2.933 5.769 1.00 0.00 C ATOM 166 C TRP A 11 -0.669 -1.482 6.137 1.00 0.00 C ATOM 167 O TRP A 11 -1.657 -0.755 6.047 1.00 0.00 O ATOM 168 CB TRP A 11 -0.878 -3.789 7.017 1.00 0.00 C ATOM 169 CG TRP A 11 -2.337 -3.849 7.396 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.792 -3.873 8.658 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.542 -3.852 6.529 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.175 -3.930 8.637 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.680 -3.904 7.354 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.760 -3.824 5.123 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.973 -3.922 6.823 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.042 -3.836 4.589 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.156 -3.882 5.434 1.00 0.00 C ATOM 0 H TRP A 11 0.933 -4.019 5.226 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.699 -3.055 5.207 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.487 -4.790 6.831 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.287 -3.362 7.827 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.178 -3.851 9.547 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.754 -3.985 9.475 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.910 -3.793 4.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.828 -3.967 7.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.179 -3.810 3.518 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.153 -3.887 5.018 1.00 0.00 H new ATOM 188 N ALA A 12 0.502 -1.054 6.553 1.00 0.00 N ATOM 189 CA ALA A 12 0.665 0.326 6.928 1.00 0.00 C ATOM 190 C ALA A 12 0.281 1.209 5.738 1.00 0.00 C ATOM 191 O ALA A 12 -0.355 2.240 5.910 1.00 0.00 O ATOM 192 CB ALA A 12 2.095 0.580 7.394 1.00 0.00 C ATOM 0 H ALA A 12 1.339 -1.631 6.638 1.00 0.00 H new ATOM 0 HA ALA A 12 0.010 0.572 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.206 1.627 7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.315 -0.052 8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.788 0.346 6.586 1.00 0.00 H new ATOM 198 N THR A 13 0.603 0.742 4.524 1.00 0.00 N ATOM 199 CA THR A 13 0.226 1.448 3.304 1.00 0.00 C ATOM 200 C THR A 13 -1.283 1.652 3.285 1.00 0.00 C ATOM 201 O THR A 13 -1.755 2.755 3.038 1.00 0.00 O ATOM 202 CB THR A 13 0.665 0.606 2.108 1.00 0.00 C ATOM 203 OG1 THR A 13 2.055 0.769 1.934 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.068 1.027 0.838 1.00 0.00 C ATOM 0 H THR A 13 1.123 -0.121 4.367 1.00 0.00 H new ATOM 0 HA THR A 13 0.708 2.425 3.260 1.00 0.00 H new ATOM 0 HB THR A 13 0.424 -0.440 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.501 -0.097 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.266 0.410 0.004 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.141 0.899 0.978 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.147 2.074 0.624 1.00 0.00 H new ATOM 212 N TRP A 14 -2.016 0.580 3.584 1.00 0.00 N ATOM 213 CA TRP A 14 -3.477 0.621 3.630 1.00 0.00 C ATOM 214 C TRP A 14 -3.964 1.529 4.748 1.00 0.00 C ATOM 215 O TRP A 14 -4.871 2.327 4.560 1.00 0.00 O ATOM 216 CB TRP A 14 -4.000 -0.779 3.905 1.00 0.00 C ATOM 217 CG TRP A 14 -5.465 -0.875 3.605 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.441 -0.900 4.540 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.136 -0.979 2.314 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.660 -1.046 3.913 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.525 -1.098 2.545 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.688 -0.994 0.978 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.423 -1.233 1.497 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.589 -1.129 -0.065 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.946 -1.252 0.189 1.00 0.00 C ATOM 0 H TRP A 14 -1.618 -0.334 3.799 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.838 1.001 2.675 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.453 -1.501 3.298 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.821 -1.039 4.948 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.290 -0.819 5.606 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.552 -1.108 4.403 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.633 -0.899 0.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.481 -1.322 1.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.232 -1.139 -1.084 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.638 -1.363 -0.633 1.00 0.00 H new ATOM 236 N GLU A 15 -3.360 1.376 5.917 1.00 0.00 N ATOM 237 CA GLU A 15 -3.742 2.162 7.081 1.00 0.00 C ATOM 238 C GLU A 15 -3.541 3.652 6.793 1.00 0.00 C ATOM 239 O GLU A 15 -4.381 4.480 7.152 1.00 0.00 O ATOM 240 CB GLU A 15 -2.919 1.690 8.281 1.00 0.00 C ATOM 241 CG GLU A 15 -3.283 0.222 8.593 1.00 0.00 C ATOM 242 CD GLU A 15 -2.315 -0.355 9.624 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.526 -0.122 10.803 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.378 -1.025 9.219 1.00 0.00 O ATOM 0 H GLU A 15 -2.602 0.714 6.085 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.798 2.021 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.854 1.776 8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.120 2.320 9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.304 0.165 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.248 -0.371 7.679 1.00 0.00 H new ATOM 251 N ILE A 16 -2.457 3.969 6.080 1.00 0.00 N ATOM 252 CA ILE A 16 -2.176 5.348 5.666 1.00 0.00 C ATOM 253 C ILE A 16 -3.205 5.744 4.601 1.00 0.00 C ATOM 254 O ILE A 16 -3.687 6.877 4.557 1.00 0.00 O ATOM 255 CB ILE A 16 -0.746 5.424 5.078 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.286 5.103 6.168 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.455 6.823 4.515 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.674 4.874 5.547 1.00 0.00 C ATOM 0 H ILE A 16 -1.759 3.290 5.777 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.241 6.027 6.516 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.677 4.695 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.333 5.923 6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.023 4.215 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.556 6.849 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.170 7.053 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.544 7.562 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.392 4.648 6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.627 4.039 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.988 5.773 5.017 1.00 0.00 H new ATOM 270 N PHE A 17 -3.531 4.763 3.758 1.00 0.00 N ATOM 271 CA PHE A 17 -4.505 4.915 2.675 1.00 0.00 C ATOM 272 C PHE A 17 -5.900 5.183 3.247 1.00 0.00 C ATOM 273 O PHE A 17 -6.689 5.937 2.674 1.00 0.00 O ATOM 274 CB PHE A 17 -4.536 3.595 1.890 1.00 0.00 C ATOM 275 CG PHE A 17 -4.783 3.806 0.418 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.714 4.095 -0.443 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.072 3.643 -0.093 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.940 4.218 -1.813 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.300 3.777 -1.461 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.233 4.059 -2.321 1.00 0.00 C ATOM 0 H PHE A 17 -3.122 3.830 3.808 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.223 5.752 2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.589 3.073 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.316 2.952 2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.718 4.222 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.892 3.413 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.119 4.435 -2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.298 3.663 -1.857 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.409 4.154 -3.382 1.00 0.00 H new ATOM 290 N ASN A 18 -6.193 4.516 4.367 1.00 0.00 N ATOM 291 CA ASN A 18 -7.492 4.618 5.030 1.00 0.00 C ATOM 292 C ASN A 18 -7.547 5.749 6.061 1.00 0.00 C ATOM 293 O ASN A 18 -8.557 5.887 6.757 1.00 0.00 O ATOM 294 CB ASN A 18 -7.809 3.285 5.733 1.00 0.00 C ATOM 295 CG ASN A 18 -8.114 2.186 4.714 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.277 1.947 3.746 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.144 1.521 4.811 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.537 3.892 4.837 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.229 4.842 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.963 2.987 6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.662 3.415 6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.801 1.706 5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.341 0.784 4.134 1.00 0.00 H new ATOM 304 N LEU A 19 -6.489 6.563 6.172 1.00 0.00 N ATOM 305 CA LEU A 19 -6.514 7.651 7.146 1.00 0.00 C ATOM 306 C LEU A 19 -7.512 8.719 6.693 1.00 0.00 C ATOM 307 O LEU A 19 -7.546 9.072 5.512 1.00 0.00 O ATOM 308 CB LEU A 19 -5.128 8.268 7.338 1.00 0.00 C ATOM 309 CG LEU A 19 -4.425 7.617 8.541 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.041 8.200 8.665 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.173 7.906 9.845 1.00 0.00 C ATOM 0 H LEU A 19 -5.635 6.491 5.619 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.825 7.242 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.530 8.128 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.218 9.343 7.497 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.396 6.540 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.530 7.747 9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.478 7.998 7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.112 9.277 8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.651 7.432 10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.215 8.983 10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.186 7.509 9.779 1.00 0.00 H new ATOM 323 N PRO A 20 -8.347 9.206 7.584 1.00 0.00 N ATOM 324 CA PRO A 20 -9.394 10.211 7.248 1.00 0.00 C ATOM 325 C PRO A 20 -8.915 11.663 7.083 1.00 0.00 C ATOM 326 O PRO A 20 -9.769 12.551 7.016 1.00 0.00 O ATOM 327 CB PRO A 20 -10.388 10.110 8.425 1.00 0.00 C ATOM 328 CG PRO A 20 -9.878 9.050 9.342 1.00 0.00 C ATOM 329 CD PRO A 20 -8.411 8.870 9.015 1.00 0.00 C ATOM 0 HA PRO A 20 -9.807 9.983 6.265 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.466 11.064 8.946 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.386 9.860 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.011 9.341 10.384 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.425 8.118 9.200 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.781 9.528 9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.077 7.850 9.205 1.00 0.00 H new ATOM 337 N ASN A 21 -7.596 11.946 7.020 1.00 0.00 N ATOM 338 CA ASN A 21 -7.191 13.366 6.875 1.00 0.00 C ATOM 339 C ASN A 21 -5.938 13.577 6.024 1.00 0.00 C ATOM 340 O ASN A 21 -5.521 14.721 5.824 1.00 0.00 O ATOM 341 CB ASN A 21 -6.977 14.012 8.252 1.00 0.00 C ATOM 342 CG ASN A 21 -8.266 13.992 9.071 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.233 14.668 8.725 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.335 13.259 10.148 1.00 0.00 N ATOM 0 H ASN A 21 -6.838 11.265 7.063 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.016 13.845 6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.192 13.480 8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.637 15.040 8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.191 13.247 10.703 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.533 12.698 10.435 1.00 0.00 H new ATOM 351 N LEU A 22 -5.339 12.505 5.520 1.00 0.00 N ATOM 352 CA LEU A 22 -4.136 12.648 4.695 1.00 0.00 C ATOM 353 C LEU A 22 -4.482 13.031 3.267 1.00 0.00 C ATOM 354 O LEU A 22 -5.537 12.657 2.750 1.00 0.00 O ATOM 355 CB LEU A 22 -3.338 11.353 4.698 1.00 0.00 C ATOM 356 CG LEU A 22 -2.930 11.021 6.131 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.165 9.716 6.148 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.031 12.121 6.692 1.00 0.00 C ATOM 0 H LEU A 22 -5.654 11.545 5.661 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.534 13.448 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.935 10.543 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.454 11.455 4.069 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.830 10.939 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.873 9.478 7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.797 8.919 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.273 9.809 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.747 11.872 7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.135 12.208 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.569 13.069 6.685 1.00 0.00 H new ATOM 370 N ASN A 23 -3.571 13.774 2.631 1.00 0.00 N ATOM 371 CA ASN A 23 -3.772 14.202 1.254 1.00 0.00 C ATOM 372 C ASN A 23 -3.115 13.191 0.314 1.00 0.00 C ATOM 373 O ASN A 23 -2.247 12.423 0.735 1.00 0.00 O ATOM 374 CB ASN A 23 -3.210 15.626 1.057 1.00 0.00 C ATOM 375 CG ASN A 23 -1.764 15.604 0.569 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.522 15.437 -0.615 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.786 15.773 1.409 1.00 0.00 N ATOM 0 H ASN A 23 -2.695 14.087 3.049 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.836 14.239 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.828 16.164 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.267 16.173 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.178 15.766 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.983 15.913 2.400 1.00 0.00 H new ATOM 384 N GLY A 24 -3.546 13.184 -0.947 1.00 0.00 N ATOM 385 CA GLY A 24 -3.014 12.243 -1.937 1.00 0.00 C ATOM 386 C GLY A 24 -1.487 12.192 -1.920 1.00 0.00 C ATOM 387 O GLY A 24 -0.902 11.112 -1.966 1.00 0.00 O ATOM 0 H GLY A 24 -4.260 13.817 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.412 11.247 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.355 12.532 -2.931 1.00 0.00 H new ATOM 391 N VAL A 25 -0.853 13.360 -1.844 1.00 0.00 N ATOM 392 CA VAL A 25 0.607 13.439 -1.820 1.00 0.00 C ATOM 393 C VAL A 25 1.171 12.854 -0.538 1.00 0.00 C ATOM 394 O VAL A 25 2.134 12.095 -0.591 1.00 0.00 O ATOM 395 CB VAL A 25 1.071 14.889 -1.966 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.605 14.949 -1.949 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.549 15.438 -3.292 1.00 0.00 C ATOM 0 H VAL A 25 -1.325 14.263 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 25 0.979 12.855 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 25 0.687 15.486 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.930 15.984 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.974 14.546 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.001 14.359 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.872 16.472 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.942 14.839 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.540 15.395 -3.300 1.00 0.00 H new ATOM 407 N GLN A 26 0.586 13.201 0.615 1.00 0.00 N ATOM 408 CA GLN A 26 1.092 12.667 1.870 1.00 0.00 C ATOM 409 C GLN A 26 0.962 11.152 1.887 1.00 0.00 C ATOM 410 O GLN A 26 1.907 10.455 2.246 1.00 0.00 O ATOM 411 CB GLN A 26 0.367 13.296 3.059 1.00 0.00 C ATOM 412 CG GLN A 26 1.264 14.388 3.667 1.00 0.00 C ATOM 413 CD GLN A 26 0.411 15.432 4.362 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.337 15.063 5.346 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.424 16.605 3.992 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.213 13.830 0.699 1.00 0.00 H new ATOM 0 HA GLN A 26 2.149 12.920 1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.583 13.724 2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.138 12.536 3.806 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.961 13.944 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.862 14.856 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.019 16.887 3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.160 17.295 4.464 1.00 0.00 H new ATOM 424 N VAL A 27 -0.191 10.647 1.447 1.00 0.00 N ATOM 425 CA VAL A 27 -0.396 9.201 1.386 1.00 0.00 C ATOM 426 C VAL A 27 0.620 8.598 0.417 1.00 0.00 C ATOM 427 O VAL A 27 1.252 7.583 0.714 1.00 0.00 O ATOM 428 CB VAL A 27 -1.827 8.874 0.930 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.007 7.353 0.858 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.835 9.450 1.935 1.00 0.00 C ATOM 0 H VAL A 27 -0.984 11.207 1.133 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.255 8.774 2.379 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.998 9.313 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.022 7.122 0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.295 6.936 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.832 6.919 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.848 9.216 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.660 9.012 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.713 10.532 1.993 1.00 0.00 H new ATOM 440 N LYS A 28 0.789 9.269 -0.724 1.00 0.00 N ATOM 441 CA LYS A 28 1.754 8.845 -1.738 1.00 0.00 C ATOM 442 C LYS A 28 3.169 8.889 -1.175 1.00 0.00 C ATOM 443 O LYS A 28 4.008 8.064 -1.528 1.00 0.00 O ATOM 444 CB LYS A 28 1.664 9.755 -2.980 1.00 0.00 C ATOM 445 CG LYS A 28 0.484 9.330 -3.870 1.00 0.00 C ATOM 446 CD LYS A 28 0.179 10.435 -4.893 1.00 0.00 C ATOM 447 CE LYS A 28 1.352 10.592 -5.870 1.00 0.00 C ATOM 448 NZ LYS A 28 0.972 11.546 -6.951 1.00 0.00 N ATOM 0 H LYS A 28 0.268 10.111 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 28 1.517 7.821 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.539 10.793 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.593 9.701 -3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.722 8.400 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.396 9.137 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.731 10.191 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.003 11.378 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.233 10.956 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.614 9.625 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.513 11.328 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.045 11.459 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.183 12.518 -6.647 1.00 0.00 H new ATOM 462 N ALA A 29 3.421 9.870 -0.309 1.00 0.00 N ATOM 463 CA ALA A 29 4.725 10.046 0.305 1.00 0.00 C ATOM 464 C ALA A 29 4.991 8.959 1.307 1.00 0.00 C ATOM 465 O ALA A 29 6.080 8.397 1.345 1.00 0.00 O ATOM 466 CB ALA A 29 4.794 11.385 1.013 1.00 0.00 C ATOM 0 H ALA A 29 2.727 10.559 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 29 5.475 10.004 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.777 11.505 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.628 12.186 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.027 11.428 1.786 1.00 0.00 H new ATOM 472 N PHE A 30 3.978 8.656 2.108 1.00 0.00 N ATOM 473 CA PHE A 30 4.103 7.622 3.088 1.00 0.00 C ATOM 474 C PHE A 30 4.320 6.321 2.348 1.00 0.00 C ATOM 475 O PHE A 30 5.145 5.501 2.749 1.00 0.00 O ATOM 476 CB PHE A 30 2.859 7.575 3.973 1.00 0.00 C ATOM 477 CG PHE A 30 2.703 8.886 4.732 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.799 9.442 5.419 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.463 9.553 4.753 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.652 10.645 6.106 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.330 10.754 5.442 1.00 0.00 C ATOM 482 CZ PHE A 30 2.421 11.298 6.114 1.00 0.00 C ATOM 0 H PHE A 30 3.069 9.118 2.087 1.00 0.00 H new ATOM 0 HA PHE A 30 4.948 7.809 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.975 7.393 3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.936 6.746 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.753 8.936 5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.615 9.132 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.493 11.072 6.633 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.379 11.265 5.456 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.313 12.232 6.645 1.00 0.00 H new ATOM 492 N ILE A 31 3.622 6.179 1.212 1.00 0.00 N ATOM 493 CA ILE A 31 3.790 5.013 0.372 1.00 0.00 C ATOM 494 C ILE A 31 5.197 5.008 -0.196 1.00 0.00 C ATOM 495 O ILE A 31 5.880 4.007 -0.165 1.00 0.00 O ATOM 496 CB ILE A 31 2.748 4.989 -0.770 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.403 4.482 -0.211 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.227 4.074 -1.926 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.305 4.575 -1.275 1.00 0.00 C ATOM 0 H ILE A 31 2.944 6.858 0.867 1.00 0.00 H new ATOM 0 HA ILE A 31 3.634 4.119 0.976 1.00 0.00 H new ATOM 0 HB ILE A 31 2.624 5.997 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.508 3.449 0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.121 5.071 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.480 4.070 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.172 4.448 -2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.366 3.059 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.635 4.212 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.188 5.613 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.580 3.966 -2.136 1.00 0.00 H new ATOM 511 N ASP A 32 5.623 6.141 -0.709 1.00 0.00 N ATOM 512 CA ASP A 32 6.953 6.239 -1.291 1.00 0.00 C ATOM 513 C ASP A 32 8.027 5.951 -0.249 1.00 0.00 C ATOM 514 O ASP A 32 9.015 5.275 -0.531 1.00 0.00 O ATOM 515 CB ASP A 32 7.156 7.628 -1.905 1.00 0.00 C ATOM 516 CG ASP A 32 8.422 7.642 -2.759 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.334 7.269 -3.918 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.460 8.019 -2.239 1.00 0.00 O ATOM 0 H ASP A 32 5.078 7.003 -0.738 1.00 0.00 H new ATOM 0 HA ASP A 32 7.041 5.490 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.293 7.895 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.232 8.376 -1.116 1.00 0.00 H new ATOM 523 N SER A 33 7.797 6.442 0.956 1.00 0.00 N ATOM 524 CA SER A 33 8.713 6.218 2.068 1.00 0.00 C ATOM 525 C SER A 33 8.712 4.731 2.414 1.00 0.00 C ATOM 526 O SER A 33 9.750 4.137 2.694 1.00 0.00 O ATOM 527 CB SER A 33 8.271 7.051 3.268 1.00 0.00 C ATOM 528 OG SER A 33 8.329 8.430 2.927 1.00 0.00 O ATOM 0 H SER A 33 6.979 7.003 1.193 1.00 0.00 H new ATOM 0 HA SER A 33 9.723 6.520 1.793 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.257 6.779 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.915 6.848 4.124 1.00 0.00 H new ATOM 0 HG SER A 33 7.581 8.652 2.334 1.00 0.00 H new ATOM 534 N LEU A 34 7.520 4.147 2.328 1.00 0.00 N ATOM 535 CA LEU A 34 7.300 2.717 2.553 1.00 0.00 C ATOM 536 C LEU A 34 8.116 1.933 1.533 1.00 0.00 C ATOM 537 O LEU A 34 8.884 1.034 1.872 1.00 0.00 O ATOM 538 CB LEU A 34 5.806 2.458 2.335 1.00 0.00 C ATOM 539 CG LEU A 34 5.067 2.295 3.659 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.784 3.126 3.671 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.702 0.836 3.822 1.00 0.00 C ATOM 0 H LEU A 34 6.668 4.658 2.097 1.00 0.00 H new ATOM 0 HA LEU A 34 7.601 2.413 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.371 3.285 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.676 1.560 1.732 1.00 0.00 H new ATOM 0 HG LEU A 34 5.710 2.634 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.274 2.994 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.031 4.179 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.131 2.799 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.172 0.697 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.062 0.527 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.609 0.232 3.824 1.00 0.00 H new ATOM 553 N ARG A 35 7.939 2.320 0.282 1.00 0.00 N ATOM 554 CA ARG A 35 8.645 1.712 -0.847 1.00 0.00 C ATOM 555 C ARG A 35 10.158 1.871 -0.688 1.00 0.00 C ATOM 556 O ARG A 35 10.920 0.925 -0.894 1.00 0.00 O ATOM 557 CB ARG A 35 8.209 2.414 -2.133 1.00 0.00 C ATOM 558 CG ARG A 35 6.722 2.176 -2.362 1.00 0.00 C ATOM 559 CD ARG A 35 6.221 3.031 -3.525 1.00 0.00 C ATOM 560 NE ARG A 35 6.826 2.593 -4.768 1.00 0.00 N ATOM 561 CZ ARG A 35 6.552 1.412 -5.301 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.761 0.577 -4.682 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.068 1.095 -6.447 1.00 0.00 N ATOM 0 H ARG A 35 7.300 3.068 0.013 1.00 0.00 H new ATOM 0 HA ARG A 35 8.404 0.650 -0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.411 3.483 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.783 2.036 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.544 1.122 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.164 2.418 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.136 2.960 -3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.461 4.079 -3.345 1.00 0.00 H new ATOM 0 HE ARG A 35 7.481 3.212 -5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.351 0.833 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.553 -0.331 -5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.679 1.753 -6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.863 0.188 -6.865 1.00 0.00 H new ATOM 577 N ASP A 36 10.568 3.084 -0.314 1.00 0.00 N ATOM 578 CA ASP A 36 11.979 3.401 -0.114 1.00 0.00 C ATOM 579 C ASP A 36 12.532 2.645 1.085 1.00 0.00 C ATOM 580 O ASP A 36 13.668 2.163 1.064 1.00 0.00 O ATOM 581 CB ASP A 36 12.139 4.901 0.107 1.00 0.00 C ATOM 582 CG ASP A 36 13.619 5.280 0.135 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.178 5.493 -0.928 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.173 5.348 1.221 1.00 0.00 O ATOM 0 H ASP A 36 9.936 3.866 -0.143 1.00 0.00 H new ATOM 0 HA ASP A 36 12.535 3.100 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.632 5.448 -0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.665 5.189 1.045 1.00 0.00 H new ATOM 589 N ASP A 37 11.709 2.550 2.123 1.00 0.00 N ATOM 590 CA ASP A 37 12.086 1.857 3.346 1.00 0.00 C ATOM 591 C ASP A 37 10.867 1.168 3.951 1.00 0.00 C ATOM 592 O ASP A 37 10.062 1.794 4.648 1.00 0.00 O ATOM 593 CB ASP A 37 12.706 2.840 4.350 1.00 0.00 C ATOM 594 CG ASP A 37 13.424 2.072 5.461 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.770 1.301 6.143 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.618 2.264 5.612 1.00 0.00 O ATOM 0 H ASP A 37 10.770 2.948 2.140 1.00 0.00 H new ATOM 0 HA ASP A 37 12.832 1.099 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.409 3.499 3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.929 3.473 4.778 1.00 0.00 H new ATOM 601 N PRO A 38 10.716 -0.104 3.679 1.00 0.00 N ATOM 602 CA PRO A 38 9.570 -0.902 4.183 1.00 0.00 C ATOM 603 C PRO A 38 9.616 -1.161 5.685 1.00 0.00 C ATOM 604 O PRO A 38 8.574 -1.259 6.330 1.00 0.00 O ATOM 605 CB PRO A 38 9.639 -2.212 3.405 1.00 0.00 C ATOM 606 CG PRO A 38 10.799 -2.130 2.466 1.00 0.00 C ATOM 607 CD PRO A 38 11.628 -0.921 2.861 1.00 0.00 C ATOM 0 HA PRO A 38 8.636 -0.360 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.759 -3.054 4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.713 -2.377 2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.399 -3.039 2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.452 -2.036 1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.514 -1.213 3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.975 -0.373 1.985 1.00 0.00 H new ATOM 615 N SER A 39 10.818 -1.269 6.240 1.00 0.00 N ATOM 616 CA SER A 39 10.958 -1.507 7.675 1.00 0.00 C ATOM 617 C SER A 39 10.408 -0.301 8.436 1.00 0.00 C ATOM 618 O SER A 39 9.999 -0.410 9.594 1.00 0.00 O ATOM 619 CB SER A 39 12.426 -1.759 8.049 1.00 0.00 C ATOM 620 OG SER A 39 13.155 -0.540 8.018 1.00 0.00 O ATOM 0 H SER A 39 11.698 -1.197 5.729 1.00 0.00 H new ATOM 0 HA SER A 39 10.392 -2.398 7.947 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.485 -2.202 9.043 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.868 -2.474 7.355 1.00 0.00 H new ATOM 0 HG SER A 39 13.009 -0.093 7.158 1.00 0.00 H new ATOM 626 N GLN A 40 10.390 0.844 7.748 1.00 0.00 N ATOM 627 CA GLN A 40 9.878 2.085 8.314 1.00 0.00 C ATOM 628 C GLN A 40 8.370 2.200 8.094 1.00 0.00 C ATOM 629 O GLN A 40 7.762 3.173 8.494 1.00 0.00 O ATOM 630 CB GLN A 40 10.566 3.290 7.644 1.00 0.00 C ATOM 631 CG GLN A 40 11.563 3.940 8.606 1.00 0.00 C ATOM 632 CD GLN A 40 12.853 3.126 8.664 1.00 0.00 C ATOM 633 OE1 GLN A 40 13.881 3.551 8.138 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.860 1.970 9.268 1.00 0.00 N ATOM 0 H GLN A 40 10.729 0.932 6.790 1.00 0.00 H new ATOM 0 HA GLN A 40 10.087 2.079 9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.082 2.966 6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.817 4.021 7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.781 4.957 8.281 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.125 4.011 9.601 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.008 1.617 9.704 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.717 1.419 9.304 1.00 0.00 H new ATOM 643 N SER A 41 7.781 1.216 7.433 1.00 0.00 N ATOM 644 CA SER A 41 6.356 1.245 7.105 1.00 0.00 C ATOM 645 C SER A 41 5.474 1.620 8.298 1.00 0.00 C ATOM 646 O SER A 41 4.521 2.388 8.145 1.00 0.00 O ATOM 647 CB SER A 41 5.967 -0.156 6.633 1.00 0.00 C ATOM 648 OG SER A 41 4.574 -0.220 6.409 1.00 0.00 O ATOM 0 H SER A 41 8.268 0.380 7.109 1.00 0.00 H new ATOM 0 HA SER A 41 6.198 2.005 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.503 -0.402 5.716 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.258 -0.894 7.380 1.00 0.00 H new ATOM 0 HG SER A 41 4.251 -1.123 6.613 1.00 0.00 H new ATOM 654 N ALA A 42 5.799 1.106 9.473 1.00 0.00 N ATOM 655 CA ALA A 42 5.036 1.421 10.673 1.00 0.00 C ATOM 656 C ALA A 42 5.240 2.880 11.050 1.00 0.00 C ATOM 657 O ALA A 42 4.331 3.544 11.542 1.00 0.00 O ATOM 658 CB ALA A 42 5.519 0.548 11.820 1.00 0.00 C ATOM 0 H ALA A 42 6.583 0.471 9.623 1.00 0.00 H new ATOM 0 HA ALA A 42 3.979 1.238 10.480 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.950 0.782 12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.377 -0.502 11.563 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.577 0.737 12.001 1.00 0.00 H new ATOM 664 N ASN A 43 6.459 3.348 10.808 1.00 0.00 N ATOM 665 CA ASN A 43 6.855 4.711 11.101 1.00 0.00 C ATOM 666 C ASN A 43 6.155 5.701 10.184 1.00 0.00 C ATOM 667 O ASN A 43 5.842 6.818 10.564 1.00 0.00 O ATOM 668 CB ASN A 43 8.360 4.814 10.896 1.00 0.00 C ATOM 669 CG ASN A 43 8.879 6.168 11.365 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.787 6.499 12.547 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.423 6.972 10.499 1.00 0.00 N ATOM 0 H ASN A 43 7.203 2.783 10.399 1.00 0.00 H new ATOM 0 HA ASN A 43 6.577 4.953 12.127 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.862 4.017 11.445 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.598 4.674 9.842 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.776 7.881 10.798 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.497 6.693 9.521 1.00 0.00 H new ATOM 678 N LEU A 44 5.947 5.257 8.968 1.00 0.00 N ATOM 679 CA LEU A 44 5.311 6.044 7.928 1.00 0.00 C ATOM 680 C LEU A 44 3.857 6.116 8.218 1.00 0.00 C ATOM 681 O LEU A 44 3.228 7.159 8.101 1.00 0.00 O ATOM 682 CB LEU A 44 5.624 5.362 6.608 1.00 0.00 C ATOM 683 CG LEU A 44 7.149 5.294 6.550 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.626 4.350 5.470 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.674 6.691 6.342 1.00 0.00 C ATOM 0 H LEU A 44 6.218 4.322 8.663 1.00 0.00 H new ATOM 0 HA LEU A 44 5.676 7.070 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.183 4.366 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.222 5.927 5.767 1.00 0.00 H new ATOM 0 HG LEU A 44 7.534 4.894 7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.716 4.329 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.246 3.348 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.261 4.691 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.763 6.668 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.281 7.092 5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.358 7.325 7.170 1.00 0.00 H new ATOM 697 N LEU A 45 3.377 4.999 8.695 1.00 0.00 N ATOM 698 CA LEU A 45 2.012 4.889 9.146 1.00 0.00 C ATOM 699 C LEU A 45 1.876 5.781 10.369 1.00 0.00 C ATOM 700 O LEU A 45 0.864 6.441 10.575 1.00 0.00 O ATOM 701 CB LEU A 45 1.704 3.428 9.477 1.00 0.00 C ATOM 702 CG LEU A 45 0.468 3.314 10.378 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.752 3.913 9.674 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.224 1.837 10.691 1.00 0.00 C ATOM 0 H LEU A 45 3.919 4.139 8.783 1.00 0.00 H new ATOM 0 HA LEU A 45 1.303 5.205 8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.538 2.870 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.563 2.976 9.973 1.00 0.00 H new ATOM 0 HG LEU A 45 0.634 3.864 11.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.624 3.827 10.322 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.565 4.964 9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.936 3.375 8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.653 1.741 11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.057 1.291 9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.094 1.425 11.202 1.00 0.00 H new ATOM 716 N ALA A 46 2.949 5.809 11.149 1.00 0.00 N ATOM 717 CA ALA A 46 3.016 6.633 12.341 1.00 0.00 C ATOM 718 C ALA A 46 2.957 8.092 11.947 1.00 0.00 C ATOM 719 O ALA A 46 2.213 8.890 12.521 1.00 0.00 O ATOM 720 CB ALA A 46 4.336 6.390 13.070 1.00 0.00 C ATOM 0 H ALA A 46 3.792 5.263 10.971 1.00 0.00 H new ATOM 0 HA ALA A 46 2.179 6.378 12.991 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.378 7.013 13.964 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.406 5.340 13.355 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.167 6.643 12.412 1.00 0.00 H new ATOM 726 N GLU A 47 3.747 8.402 10.934 1.00 0.00 N ATOM 727 CA GLU A 47 3.825 9.730 10.389 1.00 0.00 C ATOM 728 C GLU A 47 2.492 10.114 9.807 1.00 0.00 C ATOM 729 O GLU A 47 2.048 11.244 9.925 1.00 0.00 O ATOM 730 CB GLU A 47 4.853 9.727 9.267 1.00 0.00 C ATOM 731 CG GLU A 47 6.277 9.845 9.798 1.00 0.00 C ATOM 732 CD GLU A 47 6.428 11.074 10.701 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.147 12.169 10.236 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.810 10.902 11.847 1.00 0.00 O ATOM 0 H GLU A 47 4.354 7.728 10.468 1.00 0.00 H new ATOM 0 HA GLU A 47 4.103 10.435 11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.756 8.808 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.650 10.554 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.536 8.945 10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.975 9.915 8.964 1.00 0.00 H new ATOM 741 N ALA A 48 1.867 9.144 9.175 1.00 0.00 N ATOM 742 CA ALA A 48 0.588 9.345 8.558 1.00 0.00 C ATOM 743 C ALA A 48 -0.453 9.615 9.617 1.00 0.00 C ATOM 744 O ALA A 48 -1.217 10.565 9.513 1.00 0.00 O ATOM 745 CB ALA A 48 0.240 8.100 7.775 1.00 0.00 C ATOM 0 H ALA A 48 2.236 8.198 9.078 1.00 0.00 H new ATOM 0 HA ALA A 48 0.619 10.203 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.731 8.231 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.000 7.925 7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.200 7.245 8.450 1.00 0.00 H new ATOM 751 N LYS A 49 -0.443 8.792 10.659 1.00 0.00 N ATOM 752 CA LYS A 49 -1.361 8.976 11.766 1.00 0.00 C ATOM 753 C LYS A 49 -1.114 10.345 12.364 1.00 0.00 C ATOM 754 O LYS A 49 -2.035 10.998 12.833 1.00 0.00 O ATOM 755 CB LYS A 49 -1.150 7.887 12.830 1.00 0.00 C ATOM 756 CG LYS A 49 -1.600 6.522 12.287 1.00 0.00 C ATOM 757 CD LYS A 49 -3.118 6.360 12.457 1.00 0.00 C ATOM 758 CE LYS A 49 -3.591 5.087 11.746 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.915 3.897 12.340 1.00 0.00 N ATOM 0 H LYS A 49 0.188 7.997 10.756 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.388 8.900 11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.099 7.845 13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.714 8.133 13.730 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.333 6.435 11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.080 5.723 12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.371 6.310 13.516 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.633 7.229 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.672 4.987 11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.368 5.150 10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.239 3.036 11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.885 3.991 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.149 3.833 13.351 1.00 0.00 H new ATOM 773 N LYS A 50 0.147 10.784 12.310 1.00 0.00 N ATOM 774 CA LYS A 50 0.514 12.080 12.827 1.00 0.00 C ATOM 775 C LYS A 50 0.025 13.176 11.902 1.00 0.00 C ATOM 776 O LYS A 50 -0.478 14.205 12.353 1.00 0.00 O ATOM 777 CB LYS A 50 2.037 12.147 12.992 1.00 0.00 C ATOM 778 CG LYS A 50 2.443 13.427 13.731 1.00 0.00 C ATOM 779 CD LYS A 50 3.962 13.425 13.946 1.00 0.00 C ATOM 780 CE LYS A 50 4.681 13.809 12.646 1.00 0.00 C ATOM 781 NZ LYS A 50 6.143 13.572 12.800 1.00 0.00 N ATOM 0 H LYS A 50 0.921 10.252 11.912 1.00 0.00 H new ATOM 0 HA LYS A 50 0.044 12.228 13.799 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.387 11.275 13.544 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.516 12.118 12.013 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.146 14.303 13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.928 13.487 14.690 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.226 14.127 14.737 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.289 12.438 14.273 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.292 13.221 11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.494 14.857 12.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.658 14.086 12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.453 13.910 13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.340 12.554 12.718 1.00 0.00 H new ATOM 795 N LEU A 51 0.169 12.935 10.607 1.00 0.00 N ATOM 796 CA LEU A 51 -0.265 13.893 9.611 1.00 0.00 C ATOM 797 C LEU A 51 -1.779 13.962 9.589 1.00 0.00 C ATOM 798 O LEU A 51 -2.364 15.039 9.503 1.00 0.00 O ATOM 799 CB LEU A 51 0.265 13.515 8.220 1.00 0.00 C ATOM 800 CG LEU A 51 1.582 14.246 7.910 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.426 15.758 8.127 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.710 13.700 8.797 1.00 0.00 C ATOM 0 H LEU A 51 0.583 12.084 10.226 1.00 0.00 H new ATOM 0 HA LEU A 51 0.137 14.871 9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.423 12.438 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.479 13.765 7.464 1.00 0.00 H new ATOM 0 HG LEU A 51 1.836 14.071 6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.369 16.257 7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.647 16.142 7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.152 15.950 9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.638 14.224 8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.455 13.853 9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.839 12.635 8.607 1.00 0.00 H new ATOM 814 N ASN A 52 -2.397 12.792 9.687 1.00 0.00 N ATOM 815 CA ASN A 52 -3.840 12.691 9.703 1.00 0.00 C ATOM 816 C ASN A 52 -4.373 13.368 10.947 1.00 0.00 C ATOM 817 O ASN A 52 -5.326 14.142 10.886 1.00 0.00 O ATOM 818 CB ASN A 52 -4.255 11.219 9.703 1.00 0.00 C ATOM 819 CG ASN A 52 -5.700 11.060 10.149 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.611 11.331 9.381 1.00 0.00 O ATOM 821 ND2 ASN A 52 -5.963 10.637 11.353 1.00 0.00 N ATOM 0 H ASN A 52 -1.912 11.897 9.757 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.248 13.177 8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.131 10.803 8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.601 10.653 10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.931 10.531 11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.201 10.411 11.992 1.00 0.00 H new ATOM 828 N ASP A 53 -3.732 13.070 12.074 1.00 0.00 N ATOM 829 CA ASP A 53 -4.134 13.660 13.337 1.00 0.00 C ATOM 830 C ASP A 53 -3.947 15.169 13.283 1.00 0.00 C ATOM 831 O ASP A 53 -4.788 15.929 13.763 1.00 0.00 O ATOM 832 CB ASP A 53 -3.329 13.066 14.503 1.00 0.00 C ATOM 833 CG ASP A 53 -3.737 11.608 14.789 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.683 11.123 14.181 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.081 10.993 15.613 1.00 0.00 O ATOM 0 H ASP A 53 -2.940 12.429 12.134 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.187 13.434 13.505 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.265 13.108 14.270 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.483 13.670 15.397 1.00 0.00 H new ATOM 840 N ALA A 54 -2.843 15.587 12.666 1.00 0.00 N ATOM 841 CA ALA A 54 -2.542 16.997 12.511 1.00 0.00 C ATOM 842 C ALA A 54 -3.578 17.645 11.597 1.00 0.00 C ATOM 843 O ALA A 54 -4.002 18.779 11.823 1.00 0.00 O ATOM 844 CB ALA A 54 -1.145 17.162 11.912 1.00 0.00 C ATOM 0 H ALA A 54 -2.144 14.961 12.266 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.572 17.482 13.486 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.922 18.223 11.797 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.409 16.706 12.574 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.107 16.675 10.937 1.00 0.00 H new ATOM 850 N GLN A 55 -3.983 16.898 10.566 1.00 0.00 N ATOM 851 CA GLN A 55 -4.975 17.375 9.607 1.00 0.00 C ATOM 852 C GLN A 55 -6.399 17.059 10.079 1.00 0.00 C ATOM 853 O GLN A 55 -7.369 17.329 9.368 1.00 0.00 O ATOM 854 CB GLN A 55 -4.713 16.706 8.257 1.00 0.00 C ATOM 855 CG GLN A 55 -3.433 17.280 7.639 1.00 0.00 C ATOM 856 CD GLN A 55 -3.015 16.438 6.442 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.721 15.184 6.623 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -2.958 16.930 5.316 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.636 15.958 10.376 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.888 18.458 9.516 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.615 15.628 8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.558 16.871 7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.599 18.312 7.329 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.635 17.295 8.381 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.189 17.914 5.177 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.680 16.354 4.521 1.00 0.00 H new ATOM 867 N ALA A 56 -6.515 16.481 11.279 1.00 0.00 N ATOM 868 CA ALA A 56 -7.824 16.128 11.831 1.00 0.00 C ATOM 869 C ALA A 56 -8.571 17.362 12.320 1.00 0.00 C ATOM 870 O ALA A 56 -7.978 18.430 12.499 1.00 0.00 O ATOM 871 CB ALA A 56 -7.668 15.127 12.981 1.00 0.00 C ATOM 0 H ALA A 56 -5.725 16.250 11.881 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.406 15.670 11.032 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.651 14.875 13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.183 14.223 12.613 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.059 15.570 13.769 1.00 0.00 H new ATOM 877 N PRO A 57 -9.862 17.235 12.521 1.00 0.00 N ATOM 878 CA PRO A 57 -10.739 18.342 12.977 1.00 0.00 C ATOM 879 C PRO A 57 -10.702 18.516 14.496 1.00 0.00 C ATOM 880 O PRO A 57 -9.945 17.834 15.192 1.00 0.00 O ATOM 881 CB PRO A 57 -12.137 17.899 12.498 1.00 0.00 C ATOM 882 CG PRO A 57 -11.957 16.585 11.809 1.00 0.00 C ATOM 883 CD PRO A 57 -10.666 16.021 12.347 1.00 0.00 C ATOM 0 HA PRO A 57 -10.432 19.310 12.581 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.823 17.804 13.340 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.566 18.637 11.819 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.793 15.916 12.014 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.909 16.712 10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.812 15.488 13.287 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.204 15.320 11.652 1.00 0.00 H new ATOM 891 N LYS A 58 -11.530 19.431 14.997 1.00 0.00 N ATOM 892 CA LYS A 58 -11.604 19.700 16.434 1.00 0.00 C ATOM 893 C LYS A 58 -12.094 18.465 17.197 1.00 0.00 C ATOM 894 O LYS A 58 -11.563 18.203 18.264 1.00 0.00 O ATOM 895 CB LYS A 58 -12.544 20.869 16.697 1.00 0.00 C ATOM 896 CG LYS A 58 -11.938 22.169 16.147 1.00 0.00 C ATOM 897 CD LYS A 58 -12.921 23.335 16.346 1.00 0.00 C ATOM 898 CE LYS A 58 -13.035 23.690 17.836 1.00 0.00 C ATOM 899 NZ LYS A 58 -14.114 22.876 18.464 1.00 0.00 N ATOM 900 OXT LYS A 58 -12.994 17.803 16.704 1.00 0.00 O ATOM 0 H LYS A 58 -12.159 19.999 14.430 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.603 19.951 16.785 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.510 20.682 16.227 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.724 20.967 17.768 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.998 22.385 16.655 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.709 22.053 15.088 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.582 24.205 15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.901 23.064 15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.086 23.503 18.338 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.253 24.752 17.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.817 23.507 18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.575 22.292 17.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.704 22.260 19.195 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -14.711 -5.728 8.207 1.00 0.00 N ATOM 916 CA VAL B 1 -14.267 -6.673 7.142 1.00 0.00 C ATOM 917 C VAL B 1 -15.399 -7.652 6.836 1.00 0.00 C ATOM 918 O VAL B 1 -16.152 -8.043 7.731 1.00 0.00 O ATOM 919 CB VAL B 1 -13.018 -7.435 7.619 1.00 0.00 C ATOM 920 CG1 VAL B 1 -12.517 -8.369 6.507 1.00 0.00 C ATOM 921 CG2 VAL B 1 -11.909 -6.435 7.979 1.00 0.00 C ATOM 0 H1 VAL B 1 -14.114 -4.877 8.187 1.00 0.00 H new ATOM 0 H2 VAL B 1 -15.702 -5.459 8.042 1.00 0.00 H new ATOM 0 H3 VAL B 1 -14.627 -6.188 9.136 1.00 0.00 H new ATOM 0 HA VAL B 1 -14.017 -6.121 6.236 1.00 0.00 H new ATOM 0 HB VAL B 1 -13.278 -8.026 8.497 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -11.633 -8.905 6.853 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -13.299 -9.085 6.253 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -12.263 -7.781 5.625 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -11.026 -6.977 8.316 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -11.656 -5.840 7.101 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -12.257 -5.777 8.775 1.00 0.00 H new ATOM 933 N ASP B 2 -15.503 -8.040 5.565 1.00 0.00 N ATOM 934 CA ASP B 2 -16.537 -8.976 5.117 1.00 0.00 C ATOM 935 C ASP B 2 -15.899 -10.158 4.390 1.00 0.00 C ATOM 936 O ASP B 2 -16.300 -11.308 4.580 1.00 0.00 O ATOM 937 CB ASP B 2 -17.511 -8.254 4.174 1.00 0.00 C ATOM 938 CG ASP B 2 -16.757 -7.675 2.972 1.00 0.00 C ATOM 939 OD1 ASP B 2 -16.146 -6.629 3.127 1.00 0.00 O ATOM 940 OD2 ASP B 2 -16.790 -8.292 1.920 1.00 0.00 O ATOM 0 H ASP B 2 -14.881 -7.719 4.823 1.00 0.00 H new ATOM 0 HA ASP B 2 -17.080 -9.348 5.986 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -18.278 -8.949 3.831 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -18.022 -7.455 4.711 1.00 0.00 H new ATOM 945 N ASN B 3 -14.909 -9.852 3.554 1.00 0.00 N ATOM 946 CA ASN B 3 -14.202 -10.861 2.781 1.00 0.00 C ATOM 947 C ASN B 3 -12.910 -11.275 3.479 1.00 0.00 C ATOM 948 O ASN B 3 -12.268 -10.463 4.150 1.00 0.00 O ATOM 949 CB ASN B 3 -13.879 -10.305 1.387 1.00 0.00 C ATOM 950 CG ASN B 3 -13.131 -8.978 1.512 1.00 0.00 C ATOM 951 OD1 ASN B 3 -11.903 -8.959 1.599 1.00 0.00 O ATOM 952 ND2 ASN B 3 -13.805 -7.862 1.537 1.00 0.00 N ATOM 0 H ASN B 3 -14.578 -8.900 3.396 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.841 -11.739 2.690 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -13.274 -11.022 0.832 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -14.800 -10.161 0.822 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -13.315 -6.972 1.629 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -14.822 -7.879 1.465 1.00 0.00 H new ATOM 959 N LYS B 4 -12.522 -12.539 3.296 1.00 0.00 N ATOM 960 CA LYS B 4 -11.289 -13.050 3.896 1.00 0.00 C ATOM 961 C LYS B 4 -10.069 -12.497 3.163 1.00 0.00 C ATOM 962 O LYS B 4 -8.931 -12.662 3.606 1.00 0.00 O ATOM 963 CB LYS B 4 -11.273 -14.589 3.865 1.00 0.00 C ATOM 964 CG LYS B 4 -11.465 -15.099 2.423 1.00 0.00 C ATOM 965 CD LYS B 4 -10.329 -16.063 2.038 1.00 0.00 C ATOM 966 CE LYS B 4 -9.028 -15.285 1.803 1.00 0.00 C ATOM 967 NZ LYS B 4 -8.054 -16.153 1.080 1.00 0.00 N ATOM 0 H LYS B 4 -13.039 -13.222 2.742 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.251 -12.721 4.934 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -10.328 -14.957 4.265 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -12.064 -14.980 4.504 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.426 -15.606 2.335 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.485 -14.256 1.732 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -10.183 -16.799 2.829 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -10.600 -16.613 1.137 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.230 -14.385 1.223 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.607 -14.963 2.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -7.110 -16.043 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -8.353 -17.146 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.019 -15.876 0.078 1.00 0.00 H new ATOM 981 N PHE B 5 -10.331 -11.849 2.030 1.00 0.00 N ATOM 982 CA PHE B 5 -9.286 -11.274 1.206 1.00 0.00 C ATOM 983 C PHE B 5 -8.600 -10.097 1.879 1.00 0.00 C ATOM 984 O PHE B 5 -7.641 -9.574 1.340 1.00 0.00 O ATOM 985 CB PHE B 5 -9.865 -10.864 -0.149 1.00 0.00 C ATOM 986 CG PHE B 5 -10.032 -12.111 -0.976 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.984 -13.067 -0.602 1.00 0.00 C ATOM 988 CD2 PHE B 5 -9.222 -12.325 -2.097 1.00 0.00 C ATOM 989 CE1 PHE B 5 -11.123 -14.240 -1.348 1.00 0.00 C ATOM 990 CE2 PHE B 5 -9.366 -13.495 -2.846 1.00 0.00 C ATOM 991 CZ PHE B 5 -10.314 -14.453 -2.470 1.00 0.00 C ATOM 0 H PHE B 5 -11.273 -11.711 1.664 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.521 -12.036 1.058 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.823 -10.361 -0.018 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -9.201 -10.159 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.610 -12.898 0.262 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -8.487 -11.587 -2.382 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.854 -14.981 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -8.746 -13.660 -3.715 1.00 0.00 H new ATOM 0 HZ PHE B 5 -10.422 -15.359 -3.047 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.061 -9.698 3.068 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.403 -8.603 3.779 1.00 0.00 C ATOM 1003 C ASN B 6 -6.950 -8.998 4.010 1.00 0.00 C ATOM 1004 O ASN B 6 -6.037 -8.227 3.733 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.102 -8.340 5.120 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.605 -7.030 5.735 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.406 -6.155 6.060 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.325 -6.839 5.909 1.00 0.00 N ATOM 0 H ASN B 6 -9.865 -10.105 3.546 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.456 -7.688 3.190 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.181 -8.293 4.971 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.910 -9.166 5.805 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -6.990 -5.965 6.314 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.660 -7.564 5.640 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.759 -10.236 4.471 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.424 -10.778 4.700 1.00 0.00 C ATOM 1017 C LYS B 7 -4.696 -10.899 3.356 1.00 0.00 C ATOM 1018 O LYS B 7 -3.513 -10.575 3.245 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.555 -12.139 5.446 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.889 -13.314 4.695 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.375 -13.317 4.947 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.695 -14.332 4.020 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.664 -13.795 2.629 1.00 0.00 N ATOM 0 H LYS B 7 -7.517 -10.882 4.693 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.828 -10.118 5.330 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.106 -12.048 6.435 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.611 -12.364 5.595 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -5.322 -14.258 5.026 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -5.087 -13.230 3.626 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -2.966 -12.322 4.773 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -3.171 -13.568 5.988 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -1.681 -14.533 4.366 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.234 -15.279 4.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.153 -14.455 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.141 -12.871 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.677 -13.684 2.322 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.436 -11.351 2.342 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.898 -11.511 0.991 1.00 0.00 C ATOM 1039 C GLU B 8 -4.534 -10.152 0.391 1.00 0.00 C ATOM 1040 O GLU B 8 -3.600 -10.039 -0.407 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.958 -12.172 0.084 1.00 0.00 C ATOM 1042 CG GLU B 8 -6.372 -13.557 0.617 1.00 0.00 C ATOM 1043 CD GLU B 8 -5.159 -14.467 0.824 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -4.325 -14.535 -0.063 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -5.091 -15.094 1.868 1.00 0.00 O ATOM 0 H GLU B 8 -6.417 -11.614 2.433 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.006 -12.134 1.053 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.835 -11.529 0.019 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.562 -12.273 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.905 -13.440 1.561 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -7.063 -14.025 -0.084 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.308 -9.137 0.766 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.130 -7.792 0.266 1.00 0.00 C ATOM 1054 C ARG B 9 -3.890 -7.132 0.865 1.00 0.00 C ATOM 1055 O ARG B 9 -3.155 -6.441 0.170 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.370 -6.964 0.612 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.214 -5.549 0.059 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.494 -4.752 0.314 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.667 -4.531 1.748 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.871 -4.502 2.306 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.875 -3.957 1.677 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.049 -5.021 3.486 1.00 0.00 N ATOM 0 H ARG B 9 -6.078 -9.233 1.429 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.994 -7.840 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.261 -7.432 0.193 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.506 -6.930 1.693 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.366 -5.055 0.533 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.005 -5.587 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.447 -3.796 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.353 -5.290 -0.086 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.843 -4.396 2.334 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.737 -3.550 0.752 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.798 -3.937 2.110 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.265 -5.448 3.979 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -9.973 -5.001 3.918 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.679 -7.345 2.165 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.539 -6.745 2.865 1.00 0.00 C ATOM 1078 C VAL B 10 -1.241 -7.177 2.201 1.00 0.00 C ATOM 1079 O VAL B 10 -0.305 -6.389 2.070 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.523 -7.185 4.340 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.395 -6.465 5.094 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -3.890 -6.914 5.004 1.00 0.00 C ATOM 0 H VAL B 10 -4.278 -7.925 2.753 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.635 -5.660 2.816 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.337 -8.258 4.383 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.393 -6.784 6.136 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.437 -6.712 4.637 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.554 -5.388 5.044 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -3.858 -7.232 6.046 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.113 -5.848 4.957 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.666 -7.470 4.479 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.204 -8.435 1.782 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.028 -8.983 1.125 1.00 0.00 C ATOM 1094 C ILE B 11 0.146 -8.347 -0.252 1.00 0.00 C ATOM 1095 O ILE B 11 1.267 -8.042 -0.658 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.150 -10.508 0.993 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.677 -11.110 2.321 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.233 -11.085 0.655 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.322 -12.113 2.938 1.00 0.00 C ATOM 0 H ILE B 11 -1.976 -9.094 1.886 1.00 0.00 H new ATOM 0 HA ILE B 11 0.849 -8.757 1.732 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.853 -10.760 0.199 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.870 -10.307 3.032 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.628 -11.611 2.140 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.162 -12.168 0.558 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.585 -10.659 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.935 -10.837 1.451 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.088 -12.510 3.867 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.495 -12.931 2.239 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.265 -11.607 3.145 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.975 -8.130 -0.958 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.933 -7.509 -2.273 1.00 0.00 C ATOM 1113 C ALA B 12 -0.446 -6.103 -2.147 1.00 0.00 C ATOM 1114 O ALA B 12 0.450 -5.711 -2.874 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.321 -7.513 -2.906 1.00 0.00 C ATOM 0 H ALA B 12 -1.911 -8.377 -0.635 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.254 -8.077 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.274 -7.045 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.671 -8.540 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.012 -6.956 -2.272 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.005 -5.368 -1.187 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.584 -3.998 -0.952 1.00 0.00 C ATOM 1123 C ILE B 13 0.902 -4.030 -0.684 1.00 0.00 C ATOM 1124 O ILE B 13 1.658 -3.277 -1.268 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.352 -3.418 0.254 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.840 -3.434 -0.056 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.954 -1.967 0.520 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.653 -3.245 1.213 1.00 0.00 C ATOM 0 H ILE B 13 -1.744 -5.699 -0.567 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.796 -3.363 -1.812 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.114 -4.025 1.128 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.077 -2.643 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.108 -4.379 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.513 -1.587 1.376 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.114 -1.916 0.732 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.179 -1.361 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.715 -3.259 0.970 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.430 -4.051 1.912 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.398 -2.288 1.669 1.00 0.00 H new ATOM 1140 N GLY B 14 1.310 -4.971 0.151 1.00 0.00 N ATOM 1141 CA GLY B 14 2.721 -5.149 0.454 1.00 0.00 C ATOM 1142 C GLY B 14 3.519 -5.412 -0.815 1.00 0.00 C ATOM 1143 O GLY B 14 4.603 -4.867 -0.992 1.00 0.00 O ATOM 0 H GLY B 14 0.687 -5.622 0.630 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.105 -4.259 0.952 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.846 -5.981 1.147 1.00 0.00 H new ATOM 1147 N GLU B 15 2.968 -6.244 -1.697 1.00 0.00 N ATOM 1148 CA GLU B 15 3.638 -6.580 -2.939 1.00 0.00 C ATOM 1149 C GLU B 15 3.754 -5.354 -3.817 1.00 0.00 C ATOM 1150 O GLU B 15 4.811 -5.119 -4.395 1.00 0.00 O ATOM 1151 CB GLU B 15 2.870 -7.682 -3.665 1.00 0.00 C ATOM 1152 CG GLU B 15 3.797 -8.450 -4.629 1.00 0.00 C ATOM 1153 CD GLU B 15 3.526 -9.954 -4.540 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.398 -10.353 -4.779 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.453 -10.685 -4.234 1.00 0.00 O ATOM 0 H GLU B 15 2.061 -6.694 -1.570 1.00 0.00 H new ATOM 0 HA GLU B 15 4.641 -6.942 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.441 -8.372 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.039 -7.247 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.638 -8.105 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.839 -8.246 -4.382 1.00 0.00 H new ATOM 1162 N ILE B 16 2.677 -4.558 -3.910 1.00 0.00 N ATOM 1163 CA ILE B 16 2.757 -3.348 -4.758 1.00 0.00 C ATOM 1164 C ILE B 16 3.913 -2.480 -4.263 1.00 0.00 C ATOM 1165 O ILE B 16 4.770 -2.044 -5.031 1.00 0.00 O ATOM 1166 CB ILE B 16 1.506 -2.421 -4.676 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.181 -3.179 -4.572 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.459 -1.529 -5.919 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.144 -3.867 -5.884 1.00 0.00 C ATOM 0 H ILE B 16 1.785 -4.712 -3.439 1.00 0.00 H new ATOM 0 HA ILE B 16 2.864 -3.718 -5.778 1.00 0.00 H new ATOM 0 HB ILE B 16 1.614 -1.839 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.240 -3.918 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.620 -2.488 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.586 -0.878 -5.867 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.362 -0.921 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.395 -2.152 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.090 -4.401 -5.790 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.225 -3.122 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.649 -4.574 -6.130 1.00 0.00 H new ATOM 1181 N MET B 17 3.890 -2.241 -2.963 1.00 0.00 N ATOM 1182 CA MET B 17 4.889 -1.428 -2.280 1.00 0.00 C ATOM 1183 C MET B 17 6.287 -2.042 -2.422 1.00 0.00 C ATOM 1184 O MET B 17 7.275 -1.316 -2.545 1.00 0.00 O ATOM 1185 CB MET B 17 4.473 -1.303 -0.822 1.00 0.00 C ATOM 1186 CG MET B 17 3.022 -0.791 -0.754 1.00 0.00 C ATOM 1187 SD MET B 17 2.953 0.915 -1.297 1.00 0.00 S ATOM 1188 CE MET B 17 3.879 1.570 0.087 1.00 0.00 C ATOM 0 H MET B 17 3.169 -2.609 -2.342 1.00 0.00 H new ATOM 0 HA MET B 17 4.942 -0.437 -2.730 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.555 -2.269 -0.324 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.139 -0.617 -0.298 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.379 -1.408 -1.382 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.645 -0.873 0.266 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.285 2.329 0.596 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.112 0.764 0.783 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.806 2.016 -0.274 1.00 0.00 H new ATOM 1198 N ARG B 18 6.360 -3.382 -2.433 1.00 0.00 N ATOM 1199 CA ARG B 18 7.639 -4.078 -2.595 1.00 0.00 C ATOM 1200 C ARG B 18 8.212 -3.849 -3.988 1.00 0.00 C ATOM 1201 O ARG B 18 9.429 -3.734 -4.150 1.00 0.00 O ATOM 1202 CB ARG B 18 7.471 -5.571 -2.362 1.00 0.00 C ATOM 1203 CG ARG B 18 7.363 -5.854 -0.859 1.00 0.00 C ATOM 1204 CD ARG B 18 8.356 -6.935 -0.447 1.00 0.00 C ATOM 1205 NE ARG B 18 7.874 -8.253 -0.855 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.369 -9.365 -0.320 1.00 0.00 C ATOM 1207 NH1 ARG B 18 9.598 -9.716 -0.568 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.625 -10.104 0.451 1.00 0.00 N ATOM 0 H ARG B 18 5.553 -3.998 -2.332 1.00 0.00 H new ATOM 0 HA ARG B 18 8.330 -3.673 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.578 -5.930 -2.874 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.319 -6.112 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.556 -4.941 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.349 -6.171 -0.614 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.327 -6.739 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.501 -6.912 0.633 1.00 0.00 H new ATOM 0 HE ARG B 18 7.144 -8.321 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG B 18 10.181 -9.138 -1.173 1.00 0.00 H new ATOM 0 HH12 ARG B 18 9.977 -10.569 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG B 18 6.662 -9.830 0.645 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.005 -10.957 0.861 1.00 0.00 H new ATOM 1222 N LEU B 19 7.328 -3.783 -4.992 1.00 0.00 N ATOM 1223 CA LEU B 19 7.759 -3.566 -6.372 1.00 0.00 C ATOM 1224 C LEU B 19 8.558 -2.273 -6.463 1.00 0.00 C ATOM 1225 O LEU B 19 8.013 -1.200 -6.231 1.00 0.00 O ATOM 1226 CB LEU B 19 6.548 -3.473 -7.311 1.00 0.00 C ATOM 1227 CG LEU B 19 5.796 -4.805 -7.396 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.491 -4.605 -8.160 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.634 -5.835 -8.129 1.00 0.00 C ATOM 0 H LEU B 19 6.319 -3.876 -4.873 1.00 0.00 H new ATOM 0 HA LEU B 19 8.379 -4.410 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.872 -2.695 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.881 -3.178 -8.306 1.00 0.00 H new ATOM 0 HG LEU B 19 5.591 -5.155 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.956 -5.553 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.874 -3.872 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.710 -4.247 -9.166 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.088 -6.777 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.846 -5.481 -9.138 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.571 -5.989 -7.594 1.00 0.00 H new ATOM 1241 N PRO B 20 9.833 -2.350 -6.768 1.00 0.00 N ATOM 1242 CA PRO B 20 10.707 -1.150 -6.861 1.00 0.00 C ATOM 1243 C PRO B 20 10.542 -0.359 -8.165 1.00 0.00 C ATOM 1244 O PRO B 20 11.124 0.720 -8.302 1.00 0.00 O ATOM 1245 CB PRO B 20 12.130 -1.724 -6.756 1.00 0.00 C ATOM 1246 CG PRO B 20 12.003 -3.204 -6.602 1.00 0.00 C ATOM 1247 CD PRO B 20 10.604 -3.570 -7.055 1.00 0.00 C ATOM 0 HA PRO B 20 10.458 -0.430 -6.082 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.710 -1.479 -7.646 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.656 -1.293 -5.904 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.752 -3.721 -7.202 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.164 -3.501 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.577 -3.825 -8.114 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.216 -4.430 -6.510 1.00 0.00 H new ATOM 1255 N ASN B 21 9.780 -0.895 -9.128 1.00 0.00 N ATOM 1256 CA ASN B 21 9.605 -0.209 -10.411 1.00 0.00 C ATOM 1257 C ASN B 21 8.281 0.558 -10.487 1.00 0.00 C ATOM 1258 O ASN B 21 8.126 1.419 -11.355 1.00 0.00 O ATOM 1259 CB ASN B 21 9.689 -1.219 -11.556 1.00 0.00 C ATOM 1260 CG ASN B 21 10.983 -2.025 -11.467 1.00 0.00 C ATOM 1261 OD1 ASN B 21 10.968 -3.289 -11.770 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 12.035 -1.486 -11.120 1.00 0.00 N flip ATOM 0 H ASN B 21 9.285 -1.783 -9.045 1.00 0.00 H new ATOM 0 HA ASN B 21 10.408 0.522 -10.501 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.832 -1.891 -11.519 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.644 -0.698 -12.512 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.046 -0.494 -10.882 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.895 -2.032 -11.070 1.00 0.00 H new ATOM 1269 N LEU B 22 7.323 0.257 -9.593 1.00 0.00 N ATOM 1270 CA LEU B 22 6.035 0.962 -9.625 1.00 0.00 C ATOM 1271 C LEU B 22 6.167 2.409 -9.161 1.00 0.00 C ATOM 1272 O LEU B 22 7.098 2.776 -8.444 1.00 0.00 O ATOM 1273 CB LEU B 22 4.964 0.271 -8.756 1.00 0.00 C ATOM 1274 CG LEU B 22 4.664 -1.147 -9.240 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.373 -1.653 -8.587 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.479 -1.133 -10.740 1.00 0.00 C ATOM 0 H LEU B 22 7.412 -0.448 -8.861 1.00 0.00 H new ATOM 0 HA LEU B 22 5.719 0.938 -10.668 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.303 0.237 -7.721 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.048 0.861 -8.772 1.00 0.00 H new ATOM 0 HG LEU B 22 5.493 -1.802 -8.971 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.162 -2.664 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.491 -1.659 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.546 -0.996 -8.858 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.265 -2.143 -11.090 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.649 -0.476 -10.998 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.390 -0.770 -11.216 1.00 0.00 H new ATOM 1288 N ASN B 23 5.195 3.210 -9.582 1.00 0.00 N ATOM 1289 CA ASN B 23 5.126 4.619 -9.234 1.00 0.00 C ATOM 1290 C ASN B 23 4.264 4.770 -7.981 1.00 0.00 C ATOM 1291 O ASN B 23 3.424 3.913 -7.707 1.00 0.00 O ATOM 1292 CB ASN B 23 4.519 5.361 -10.447 1.00 0.00 C ATOM 1293 CG ASN B 23 3.593 6.502 -10.062 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.444 6.540 -10.487 1.00 0.00 O ATOM 1295 ND2 ASN B 23 4.030 7.449 -9.308 1.00 0.00 N ATOM 0 H ASN B 23 4.429 2.895 -10.178 1.00 0.00 H new ATOM 0 HA ASN B 23 6.107 5.041 -9.014 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.328 5.753 -11.064 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.968 4.648 -11.060 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.420 8.230 -9.065 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.986 7.419 -8.954 1.00 0.00 H new ATOM 1302 N SER B 24 4.458 5.855 -7.228 1.00 0.00 N ATOM 1303 CA SER B 24 3.664 6.072 -6.017 1.00 0.00 C ATOM 1304 C SER B 24 2.185 6.096 -6.382 1.00 0.00 C ATOM 1305 O SER B 24 1.361 5.471 -5.717 1.00 0.00 O ATOM 1306 CB SER B 24 4.059 7.393 -5.351 1.00 0.00 C ATOM 1307 OG SER B 24 5.459 7.395 -5.103 1.00 0.00 O ATOM 0 H SER B 24 5.143 6.583 -7.429 1.00 0.00 H new ATOM 0 HA SER B 24 3.854 5.260 -5.315 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.791 8.232 -5.993 1.00 0.00 H new ATOM 0 HB3 SER B 24 3.512 7.520 -4.416 1.00 0.00 H new ATOM 0 HG SER B 24 5.715 8.240 -4.678 1.00 0.00 H new ATOM 1313 N LEU B 25 1.875 6.797 -7.472 1.00 0.00 N ATOM 1314 CA LEU B 25 0.512 6.893 -7.969 1.00 0.00 C ATOM 1315 C LEU B 25 0.047 5.558 -8.545 1.00 0.00 C ATOM 1316 O LEU B 25 -1.113 5.183 -8.373 1.00 0.00 O ATOM 1317 CB LEU B 25 0.411 7.986 -9.038 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.529 9.080 -8.569 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.478 10.270 -9.535 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.942 8.511 -8.506 1.00 0.00 C ATOM 0 H LEU B 25 2.559 7.309 -8.029 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.136 7.153 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.398 8.403 -9.238 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.049 7.560 -9.974 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.228 9.430 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.157 11.049 -9.188 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.538 10.664 -9.574 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.779 9.944 -10.531 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.631 9.286 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.239 8.165 -9.496 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.967 7.675 -7.807 1.00 0.00 H new ATOM 1332 N GLN B 26 0.955 4.833 -9.214 1.00 0.00 N ATOM 1333 CA GLN B 26 0.606 3.538 -9.781 1.00 0.00 C ATOM 1334 C GLN B 26 0.254 2.584 -8.662 1.00 0.00 C ATOM 1335 O GLN B 26 -0.689 1.803 -8.761 1.00 0.00 O ATOM 1336 CB GLN B 26 1.791 2.956 -10.545 1.00 0.00 C ATOM 1337 CG GLN B 26 1.927 3.597 -11.928 1.00 0.00 C ATOM 1338 CD GLN B 26 3.137 3.010 -12.645 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.912 2.172 -12.016 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.383 3.324 -13.808 1.00 0.00 N flip ATOM 0 H GLN B 26 1.921 5.122 -9.370 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.238 3.671 -10.458 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.707 3.115 -9.976 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.665 1.879 -10.652 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.024 3.421 -12.512 1.00 0.00 H new ATOM 0 HG3 GLN B 26 2.038 4.677 -11.830 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.775 3.980 -14.299 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.195 2.928 -14.282 1.00 0.00 H new ATOM 1349 N VAL B 27 1.027 2.679 -7.592 1.00 0.00 N ATOM 1350 CA VAL B 27 0.818 1.845 -6.430 1.00 0.00 C ATOM 1351 C VAL B 27 -0.518 2.176 -5.820 1.00 0.00 C ATOM 1352 O VAL B 27 -1.305 1.285 -5.528 1.00 0.00 O ATOM 1353 CB VAL B 27 1.967 2.037 -5.439 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.668 1.312 -4.115 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.234 1.456 -6.074 1.00 0.00 C ATOM 0 H VAL B 27 1.808 3.330 -7.509 1.00 0.00 H new ATOM 0 HA VAL B 27 0.808 0.793 -6.714 1.00 0.00 H new ATOM 0 HB VAL B 27 2.096 3.097 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.497 1.461 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.754 1.715 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.540 0.246 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.073 1.578 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.085 0.396 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.447 1.980 -7.006 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.789 3.464 -5.697 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.060 3.913 -5.192 1.00 0.00 C ATOM 1367 C VAL B 28 -3.159 3.402 -6.127 1.00 0.00 C ATOM 1368 O VAL B 28 -4.252 3.072 -5.686 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.094 5.443 -5.102 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.463 5.875 -4.578 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.988 5.942 -4.150 1.00 0.00 C ATOM 0 H VAL B 28 -0.141 4.212 -5.942 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.219 3.521 -4.187 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.923 5.872 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.500 6.962 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.240 5.528 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.627 5.443 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.021 7.030 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.146 5.522 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.015 5.627 -4.526 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.836 3.325 -7.423 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.775 2.838 -8.427 1.00 0.00 C ATOM 1383 C ALA B 29 -4.166 1.408 -8.099 1.00 0.00 C ATOM 1384 O ALA B 29 -5.345 1.045 -8.145 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.118 2.884 -9.817 1.00 0.00 C ATOM 0 H ALA B 29 -1.927 3.596 -7.797 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.664 3.469 -8.428 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.822 2.519 -10.565 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.837 3.910 -10.053 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.228 2.255 -9.820 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.160 0.604 -7.755 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.373 -0.765 -7.409 1.00 0.00 C ATOM 1393 C PHE B 30 -4.048 -0.862 -6.044 1.00 0.00 C ATOM 1394 O PHE B 30 -5.025 -1.584 -5.898 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.013 -1.483 -7.447 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.478 -1.446 -8.879 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.272 -1.903 -9.951 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.205 -0.901 -9.152 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.796 -1.818 -11.257 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.253 -0.817 -10.464 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.541 -1.274 -11.515 1.00 0.00 C ATOM 0 H PHE B 30 -2.185 0.900 -7.714 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.042 -1.250 -8.120 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.311 -0.998 -6.769 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.121 -2.514 -7.111 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.250 -2.319 -9.759 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.415 -0.548 -8.341 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.404 -2.176 -12.074 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.227 -0.396 -10.668 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.182 -1.206 -12.531 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.564 -0.088 -5.063 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.164 -0.093 -3.725 1.00 0.00 C ATOM 1413 C ILE B 31 -5.642 0.294 -3.825 1.00 0.00 C ATOM 1414 O ILE B 31 -6.508 -0.363 -3.246 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.411 0.890 -2.804 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.948 0.438 -2.627 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -4.078 0.930 -1.426 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.127 1.580 -2.011 1.00 0.00 C ATOM 0 H ILE B 31 -2.769 0.542 -5.170 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.088 -1.093 -3.298 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.439 1.879 -3.261 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.904 -0.442 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.526 0.152 -3.590 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.541 1.626 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.112 1.258 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -4.057 -0.065 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.093 1.259 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.160 2.448 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.544 1.845 -1.039 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.913 1.343 -4.593 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.287 1.810 -4.810 1.00 0.00 C ATOM 1432 C ASN B 32 -8.149 0.717 -5.446 1.00 0.00 C ATOM 1433 O ASN B 32 -9.358 0.668 -5.212 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.314 3.032 -5.748 1.00 0.00 C ATOM 1435 CG ASN B 32 -7.217 4.338 -4.969 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.347 5.238 -5.331 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.965 4.554 -4.016 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.202 1.890 -5.078 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.684 2.077 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.487 2.967 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.234 3.023 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.646 3.850 -3.732 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.904 5.437 -3.510 1.00 0.00 H new ATOM 1444 N SER B 33 -7.532 -0.149 -6.260 1.00 0.00 N ATOM 1445 CA SER B 33 -8.262 -1.206 -6.921 1.00 0.00 C ATOM 1446 C SER B 33 -8.540 -2.332 -5.936 1.00 0.00 C ATOM 1447 O SER B 33 -9.575 -2.994 -6.030 1.00 0.00 O ATOM 1448 CB SER B 33 -7.512 -1.663 -8.163 1.00 0.00 C ATOM 1449 OG SER B 33 -7.874 -0.831 -9.257 1.00 0.00 O ATOM 0 H SER B 33 -6.534 -0.128 -6.468 1.00 0.00 H new ATOM 0 HA SER B 33 -9.230 -0.840 -7.263 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.437 -1.613 -7.992 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.752 -2.703 -8.386 1.00 0.00 H new ATOM 0 HG SER B 33 -7.393 -1.119 -10.060 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.653 -2.501 -4.941 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.903 -3.503 -3.904 1.00 0.00 C ATOM 1457 C LEU B 34 -9.171 -3.044 -3.207 1.00 0.00 C ATOM 1458 O LEU B 34 -10.108 -3.809 -2.985 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.769 -3.553 -2.869 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.391 -3.595 -3.543 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.304 -3.679 -2.496 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.278 -4.804 -4.430 1.00 0.00 C ATOM 0 H LEU B 34 -6.786 -1.974 -4.837 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.980 -4.497 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.830 -2.680 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.892 -4.432 -2.236 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.278 -2.687 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.330 -3.708 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.358 -2.806 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.440 -4.583 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.295 -4.819 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.409 -5.707 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.048 -4.764 -5.200 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.177 -1.741 -2.928 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.322 -1.062 -2.318 1.00 0.00 C ATOM 1476 C ARG B 35 -11.568 -1.271 -3.180 1.00 0.00 C ATOM 1477 O ARG B 35 -12.643 -1.594 -2.671 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.018 0.445 -2.259 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.101 0.982 -0.822 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.856 1.821 -0.512 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.555 1.771 0.912 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.331 2.378 1.799 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.353 1.751 2.306 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.071 3.602 2.164 1.00 0.00 N ATOM 0 H ARG B 35 -8.387 -1.124 -3.119 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.497 -1.464 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.022 0.632 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.724 0.984 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.999 1.588 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.178 0.154 -0.118 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.006 1.448 -1.084 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.019 2.854 -0.820 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.733 1.260 1.233 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.556 0.793 2.021 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -10.950 2.218 2.989 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.270 4.093 1.767 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.668 4.068 2.847 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.395 -1.081 -4.491 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.485 -1.241 -5.451 1.00 0.00 C ATOM 1500 C ASP B 36 -13.039 -2.663 -5.403 1.00 0.00 C ATOM 1501 O ASP B 36 -14.252 -2.870 -5.465 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.970 -0.927 -6.864 1.00 0.00 C ATOM 1503 CG ASP B 36 -13.131 -0.905 -7.858 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -13.802 0.111 -7.934 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -13.331 -1.906 -8.526 1.00 0.00 O ATOM 0 H ASP B 36 -10.504 -0.815 -4.911 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.288 -0.551 -5.192 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.461 0.037 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -11.237 -1.675 -7.166 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.131 -3.630 -5.278 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.502 -5.042 -5.207 1.00 0.00 C ATOM 1512 C ASP B 37 -11.379 -5.846 -4.565 1.00 0.00 C ATOM 1513 O ASP B 37 -10.390 -6.188 -5.220 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.804 -5.596 -6.608 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.255 -5.309 -6.996 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -15.136 -5.917 -6.410 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -14.464 -4.489 -7.873 1.00 0.00 O ATOM 0 H ASP B 37 -11.127 -3.459 -5.224 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.401 -5.130 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.130 -5.145 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.622 -6.670 -6.628 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.515 -6.147 -3.294 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.495 -6.923 -2.548 1.00 0.00 C ATOM 1524 C PRO B 38 -10.369 -8.359 -3.054 1.00 0.00 C ATOM 1525 O PRO B 38 -9.340 -9.006 -2.856 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.957 -6.899 -1.092 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.219 -6.098 -1.023 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.662 -5.780 -2.445 1.00 0.00 C ATOM 0 HA PRO B 38 -9.505 -6.486 -2.678 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.128 -7.913 -0.729 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.190 -6.458 -0.456 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.995 -6.656 -0.500 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.055 -5.178 -0.462 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.552 -6.348 -2.717 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.912 -4.725 -2.554 1.00 0.00 H new ATOM 1536 N SER B 39 -11.423 -8.843 -3.714 1.00 0.00 N ATOM 1537 CA SER B 39 -11.428 -10.194 -4.253 1.00 0.00 C ATOM 1538 C SER B 39 -10.344 -10.322 -5.307 1.00 0.00 C ATOM 1539 O SER B 39 -9.641 -11.332 -5.370 1.00 0.00 O ATOM 1540 CB SER B 39 -12.793 -10.508 -4.870 1.00 0.00 C ATOM 1541 OG SER B 39 -13.808 -10.297 -3.897 1.00 0.00 O ATOM 0 H SER B 39 -12.280 -8.317 -3.885 1.00 0.00 H new ATOM 0 HA SER B 39 -11.235 -10.902 -3.447 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.967 -9.872 -5.738 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.818 -11.540 -5.220 1.00 0.00 H new ATOM 0 HG SER B 39 -14.684 -10.496 -4.289 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.214 -9.278 -6.131 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.216 -9.263 -7.182 1.00 0.00 C ATOM 1549 C GLN B 40 -7.993 -8.466 -6.761 1.00 0.00 C ATOM 1550 O GLN B 40 -7.270 -7.960 -7.614 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.788 -8.703 -8.498 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.323 -8.697 -8.472 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.872 -8.500 -9.880 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.615 -7.477 -10.515 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.616 -9.428 -10.408 1.00 0.00 N ATOM 0 H GLN B 40 -10.791 -8.438 -6.083 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.916 -10.296 -7.356 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.419 -7.690 -8.657 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.437 -9.305 -9.336 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.691 -9.636 -8.058 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.680 -7.900 -7.820 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.827 -10.274 -9.880 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.988 -9.309 -11.350 1.00 0.00 H new ATOM 1564 N SER B 41 -7.739 -8.367 -5.447 1.00 0.00 N ATOM 1565 CA SER B 41 -6.572 -7.640 -4.977 1.00 0.00 C ATOM 1566 C SER B 41 -5.327 -8.190 -5.651 1.00 0.00 C ATOM 1567 O SER B 41 -4.375 -7.465 -5.917 1.00 0.00 O ATOM 1568 CB SER B 41 -6.435 -7.798 -3.460 1.00 0.00 C ATOM 1569 OG SER B 41 -7.368 -6.953 -2.806 1.00 0.00 O ATOM 0 H SER B 41 -8.318 -8.775 -4.713 1.00 0.00 H new ATOM 0 HA SER B 41 -6.688 -6.584 -5.221 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.608 -8.836 -3.176 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.421 -7.547 -3.148 1.00 0.00 H new ATOM 0 HG SER B 41 -7.633 -7.357 -1.953 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.380 -9.482 -5.926 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.304 -10.196 -6.590 1.00 0.00 C ATOM 1577 C ALA B 42 -4.234 -9.837 -8.075 1.00 0.00 C ATOM 1578 O ALA B 42 -3.181 -9.955 -8.693 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.567 -11.693 -6.455 1.00 0.00 C ATOM 0 H ALA B 42 -6.180 -10.070 -5.692 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.358 -9.918 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.769 -12.248 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.599 -11.963 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.521 -11.938 -6.921 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.383 -9.442 -8.635 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.504 -9.106 -10.051 1.00 0.00 C ATOM 1587 C ASN B 43 -4.807 -7.811 -10.412 1.00 0.00 C ATOM 1588 O ASN B 43 -3.980 -7.776 -11.317 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.967 -8.961 -10.380 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.191 -9.047 -11.887 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.787 -8.073 -12.655 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.739 -10.033 -12.380 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.255 -9.347 -8.114 1.00 0.00 H new ATOM 0 HA ASN B 43 -5.029 -9.906 -10.620 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.537 -9.742 -9.877 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.336 -8.006 -10.006 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -8.055 -10.795 -11.779 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.877 -10.088 -13.389 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.141 -6.746 -9.695 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.526 -5.474 -9.951 1.00 0.00 C ATOM 1601 C LEU B 44 -3.111 -5.534 -9.401 1.00 0.00 C ATOM 1602 O LEU B 44 -2.200 -4.898 -9.907 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.392 -4.284 -9.461 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.546 -4.189 -7.953 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.436 -5.300 -7.451 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.205 -4.175 -7.256 1.00 0.00 C ATOM 0 H LEU B 44 -5.828 -6.748 -8.941 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.457 -5.276 -11.021 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.951 -3.357 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.382 -4.364 -9.909 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.026 -3.240 -7.714 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.540 -5.222 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.418 -5.218 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.994 -6.263 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.356 -4.106 -6.179 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.664 -5.092 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.627 -3.316 -7.597 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.926 -6.391 -8.397 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.608 -6.633 -7.855 1.00 0.00 C ATOM 1620 C LEU B 45 -0.832 -7.278 -8.981 1.00 0.00 C ATOM 1621 O LEU B 45 0.344 -7.012 -9.204 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.694 -7.588 -6.658 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.372 -8.344 -6.467 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.761 -7.347 -6.238 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.489 -9.298 -5.271 1.00 0.00 C ATOM 0 H LEU B 45 -3.674 -6.922 -7.951 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.135 -5.716 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.930 -7.026 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.506 -8.299 -6.812 1.00 0.00 H new ATOM 0 HG LEU B 45 -0.155 -8.927 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.698 -7.886 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.844 -6.686 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.551 -6.756 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.452 -9.833 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.711 -8.726 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.291 -10.014 -5.453 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.559 -8.104 -9.718 1.00 0.00 N ATOM 1638 CA ALA B 46 -1.006 -8.776 -10.869 1.00 0.00 C ATOM 1639 C ALA B 46 -0.615 -7.701 -11.867 1.00 0.00 C ATOM 1640 O ALA B 46 0.482 -7.709 -12.418 1.00 0.00 O ATOM 1641 CB ALA B 46 -2.046 -9.727 -11.486 1.00 0.00 C ATOM 0 H ALA B 46 -2.538 -8.322 -9.533 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.141 -9.376 -10.587 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.613 -10.226 -12.353 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.340 -10.473 -10.748 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.922 -9.157 -11.795 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.526 -6.738 -12.031 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.301 -5.601 -12.902 1.00 0.00 C ATOM 1649 C GLU B 47 -0.084 -4.825 -12.415 1.00 0.00 C ATOM 1650 O GLU B 47 0.648 -4.242 -13.207 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.512 -4.653 -12.881 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.760 -5.310 -13.463 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.516 -5.790 -14.894 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.150 -4.971 -15.723 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.703 -6.970 -15.142 1.00 0.00 O ATOM 0 H GLU B 47 -2.432 -6.732 -11.563 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.145 -5.971 -13.915 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.711 -4.341 -11.856 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.278 -3.752 -13.449 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.055 -6.154 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.587 -4.600 -13.451 1.00 0.00 H new ATOM 1662 N ALA B 48 0.094 -4.811 -11.092 1.00 0.00 N ATOM 1663 CA ALA B 48 1.182 -4.096 -10.463 1.00 0.00 C ATOM 1664 C ALA B 48 2.503 -4.780 -10.690 1.00 0.00 C ATOM 1665 O ALA B 48 3.471 -4.157 -11.090 1.00 0.00 O ATOM 1666 CB ALA B 48 0.925 -4.086 -8.969 1.00 0.00 C ATOM 0 H ALA B 48 -0.517 -5.298 -10.436 1.00 0.00 H new ATOM 0 HA ALA B 48 1.229 -3.093 -10.888 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.731 -3.552 -8.465 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.023 -3.588 -8.766 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.882 -5.111 -8.600 1.00 0.00 H new ATOM 1672 N LYS B 49 2.523 -6.074 -10.446 1.00 0.00 N ATOM 1673 CA LYS B 49 3.723 -6.852 -10.639 1.00 0.00 C ATOM 1674 C LYS B 49 4.091 -6.785 -12.116 1.00 0.00 C ATOM 1675 O LYS B 49 5.265 -6.709 -12.475 1.00 0.00 O ATOM 1676 CB LYS B 49 3.475 -8.275 -10.139 1.00 0.00 C ATOM 1677 CG LYS B 49 3.470 -8.300 -8.608 1.00 0.00 C ATOM 1678 CD LYS B 49 3.396 -9.755 -8.122 1.00 0.00 C ATOM 1679 CE LYS B 49 2.028 -10.364 -8.475 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.499 -11.115 -7.302 1.00 0.00 N ATOM 0 H LYS B 49 1.720 -6.607 -10.113 1.00 0.00 H new ATOM 0 HA LYS B 49 4.566 -6.462 -10.069 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.522 -8.642 -10.520 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.248 -8.943 -10.519 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.370 -7.822 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.620 -7.734 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.192 -10.341 -8.581 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.553 -9.794 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.330 -9.576 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.125 -11.030 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.460 -11.074 -7.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 1.806 -12.107 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.861 -10.689 -6.425 1.00 0.00 H new ATOM 1694 N LYS B 50 3.052 -6.731 -12.952 1.00 0.00 N ATOM 1695 CA LYS B 50 3.222 -6.578 -14.391 1.00 0.00 C ATOM 1696 C LYS B 50 3.701 -5.173 -14.719 1.00 0.00 C ATOM 1697 O LYS B 50 4.536 -4.994 -15.596 1.00 0.00 O ATOM 1698 CB LYS B 50 1.912 -6.842 -15.121 1.00 0.00 C ATOM 1699 CG LYS B 50 1.645 -8.356 -15.188 1.00 0.00 C ATOM 1700 CD LYS B 50 0.546 -8.656 -16.217 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.794 -8.058 -15.768 1.00 0.00 C ATOM 1702 NZ LYS B 50 -0.947 -6.693 -16.349 1.00 0.00 N ATOM 0 H LYS B 50 2.079 -6.792 -12.650 1.00 0.00 H new ATOM 0 HA LYS B 50 3.966 -7.304 -14.720 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.092 -6.342 -14.606 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.957 -6.427 -16.128 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.560 -8.882 -15.459 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.345 -8.723 -14.207 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.827 -8.245 -17.187 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.445 -9.734 -16.345 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -1.616 -8.697 -16.091 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.837 -8.009 -14.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.952 -6.510 -16.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -0.593 -5.986 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.404 -6.629 -17.233 1.00 0.00 H new ATOM 1716 N LEU B 51 3.163 -4.179 -14.009 1.00 0.00 N ATOM 1717 CA LEU B 51 3.559 -2.791 -14.242 1.00 0.00 C ATOM 1718 C LEU B 51 4.984 -2.604 -13.813 1.00 0.00 C ATOM 1719 O LEU B 51 5.782 -1.965 -14.498 1.00 0.00 O ATOM 1720 CB LEU B 51 2.657 -1.826 -13.464 1.00 0.00 C ATOM 1721 CG LEU B 51 1.774 -1.058 -14.441 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.646 -0.075 -15.240 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.059 -2.047 -15.384 1.00 0.00 C ATOM 0 H LEU B 51 2.462 -4.307 -13.279 1.00 0.00 H new ATOM 0 HA LEU B 51 3.458 -2.573 -15.305 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.039 -2.379 -12.756 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.264 -1.132 -12.883 1.00 0.00 H new ATOM 0 HG LEU B 51 1.015 -0.496 -13.896 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.021 0.478 -15.941 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.129 0.623 -14.555 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.407 -0.628 -15.790 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.429 -1.494 -16.081 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.801 -2.619 -15.941 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.441 -2.727 -14.797 1.00 0.00 H new ATOM 1735 N ASN B 52 5.300 -3.218 -12.693 1.00 0.00 N ATOM 1736 CA ASN B 52 6.648 -3.182 -12.181 1.00 0.00 C ATOM 1737 C ASN B 52 7.526 -3.833 -13.216 1.00 0.00 C ATOM 1738 O ASN B 52 8.618 -3.361 -13.514 1.00 0.00 O ATOM 1739 CB ASN B 52 6.727 -3.933 -10.858 1.00 0.00 C ATOM 1740 CG ASN B 52 8.177 -4.116 -10.431 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.699 -3.354 -9.620 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.863 -5.087 -10.948 1.00 0.00 N ATOM 0 H ASN B 52 4.641 -3.747 -12.122 1.00 0.00 H new ATOM 0 HA ASN B 52 6.971 -2.158 -11.993 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.182 -3.385 -10.089 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.246 -4.906 -10.957 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.839 -5.220 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.427 -5.718 -11.621 1.00 0.00 H new ATOM 1749 N ASP B 53 6.989 -4.905 -13.791 1.00 0.00 N ATOM 1750 CA ASP B 53 7.692 -5.619 -14.848 1.00 0.00 C ATOM 1751 C ASP B 53 7.786 -4.726 -16.084 1.00 0.00 C ATOM 1752 O ASP B 53 8.780 -4.747 -16.813 1.00 0.00 O ATOM 1753 CB ASP B 53 6.962 -6.915 -15.214 1.00 0.00 C ATOM 1754 CG ASP B 53 7.889 -7.814 -16.032 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.617 -8.586 -15.430 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.867 -7.709 -17.247 1.00 0.00 O ATOM 0 H ASP B 53 6.079 -5.294 -13.545 1.00 0.00 H new ATOM 0 HA ASP B 53 8.690 -5.873 -14.490 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.643 -7.432 -14.309 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.062 -6.688 -15.785 1.00 0.00 H new ATOM 1761 N ALA B 54 6.727 -3.942 -16.297 1.00 0.00 N ATOM 1762 CA ALA B 54 6.648 -3.028 -17.428 1.00 0.00 C ATOM 1763 C ALA B 54 7.722 -1.953 -17.309 1.00 0.00 C ATOM 1764 O ALA B 54 8.335 -1.560 -18.303 1.00 0.00 O ATOM 1765 CB ALA B 54 5.259 -2.386 -17.460 1.00 0.00 C ATOM 0 H ALA B 54 5.906 -3.926 -15.691 1.00 0.00 H new ATOM 0 HA ALA B 54 6.813 -3.580 -18.353 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.194 -1.701 -18.305 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.501 -3.163 -17.564 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.091 -1.837 -16.534 1.00 0.00 H new ATOM 1771 N GLN B 55 7.947 -1.496 -16.077 1.00 0.00 N ATOM 1772 CA GLN B 55 8.953 -0.477 -15.806 1.00 0.00 C ATOM 1773 C GLN B 55 10.302 -1.115 -15.480 1.00 0.00 C ATOM 1774 O GLN B 55 11.318 -0.424 -15.381 1.00 0.00 O ATOM 1775 CB GLN B 55 8.484 0.366 -14.639 1.00 0.00 C ATOM 1776 CG GLN B 55 7.231 1.146 -15.034 1.00 0.00 C ATOM 1777 CD GLN B 55 6.391 1.406 -13.798 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.895 0.391 -13.147 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.186 2.556 -13.409 1.00 0.00 N flip ATOM 0 H GLN B 55 7.443 -1.818 -15.251 1.00 0.00 H new ATOM 0 HA GLN B 55 9.083 0.145 -16.692 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.271 -0.271 -13.781 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.272 1.055 -14.337 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.509 2.090 -15.504 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.654 0.583 -15.768 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.577 3.346 -13.923 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.625 2.719 -12.573 1.00 0.00 H new ATOM 1788 N ALA B 56 10.299 -2.440 -15.317 1.00 0.00 N ATOM 1789 CA ALA B 56 11.521 -3.181 -15.004 1.00 0.00 C ATOM 1790 C ALA B 56 12.446 -3.223 -16.208 1.00 0.00 C ATOM 1791 O ALA B 56 12.041 -2.892 -17.325 1.00 0.00 O ATOM 1792 CB ALA B 56 11.183 -4.615 -14.593 1.00 0.00 C ATOM 0 H ALA B 56 9.464 -3.021 -15.397 1.00 0.00 H new ATOM 0 HA ALA B 56 12.020 -2.669 -14.181 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.102 -5.154 -14.363 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.542 -4.599 -13.712 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.664 -5.115 -15.411 1.00 0.00 H new ATOM 1798 N PRO B 57 13.680 -3.621 -16.002 1.00 0.00 N ATOM 1799 CA PRO B 57 14.687 -3.706 -17.085 1.00 0.00 C ATOM 1800 C PRO B 57 14.530 -4.977 -17.919 1.00 0.00 C ATOM 1801 O PRO B 57 15.509 -5.584 -18.363 1.00 0.00 O ATOM 1802 CB PRO B 57 16.031 -3.664 -16.336 1.00 0.00 C ATOM 1803 CG PRO B 57 15.708 -3.581 -14.877 1.00 0.00 C ATOM 1804 CD PRO B 57 14.269 -4.030 -14.723 1.00 0.00 C ATOM 0 HA PRO B 57 14.589 -2.899 -17.811 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.622 -4.554 -16.551 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.623 -2.804 -16.651 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.376 -4.217 -14.296 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.837 -2.563 -14.509 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.193 -5.106 -14.565 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.780 -3.548 -13.877 1.00 0.00 H new ATOM 1812 N LYS B 58 13.278 -5.354 -18.128 1.00 0.00 N ATOM 1813 CA LYS B 58 12.945 -6.543 -18.910 1.00 0.00 C ATOM 1814 C LYS B 58 13.072 -6.259 -20.409 1.00 0.00 C ATOM 1815 O LYS B 58 12.634 -5.201 -20.833 1.00 0.00 O ATOM 1816 CB LYS B 58 11.519 -6.997 -18.582 1.00 0.00 C ATOM 1817 CG LYS B 58 11.554 -8.143 -17.561 1.00 0.00 C ATOM 1818 CD LYS B 58 11.837 -7.579 -16.160 1.00 0.00 C ATOM 1819 CE LYS B 58 12.244 -8.713 -15.212 1.00 0.00 C ATOM 1820 NZ LYS B 58 11.161 -9.738 -15.162 1.00 0.00 N ATOM 1821 OXT LYS B 58 13.605 -7.104 -21.109 1.00 0.00 O ATOM 0 H LYS B 58 12.468 -4.852 -17.765 1.00 0.00 H new ATOM 0 HA LYS B 58 13.645 -7.337 -18.650 1.00 0.00 H new ATOM 0 HB2 LYS B 58 10.945 -6.161 -18.183 1.00 0.00 H new ATOM 0 HB3 LYS B 58 11.015 -7.324 -19.491 1.00 0.00 H new ATOM 0 HG2 LYS B 58 10.603 -8.675 -17.564 1.00 0.00 H new ATOM 0 HG3 LYS B 58 12.324 -8.864 -17.836 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.631 -6.834 -16.212 1.00 0.00 H new ATOM 0 HD3 LYS B 58 10.951 -7.073 -15.776 1.00 0.00 H new ATOM 0 HE2 LYS B 58 13.174 -9.169 -15.552 1.00 0.00 H new ATOM 0 HE3 LYS B 58 12.430 -8.317 -14.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 11.255 -10.300 -14.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 10.235 -9.265 -15.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 11.237 -10.364 -15.989 1.00 0.00 H new TER 1835 LYS B 58