USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 TYR OH : rot 41:sc= 0.916 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.15) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0.5) USER MOD Single : A 17 MET CE :methyl -167:sc=-0.000704 (180deg=-0.0835) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0318 USER MOD Single : A 26 SER OG : rot 180:sc= -1.42! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 31 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.018) USER MOD Single : A 33 MET CE :methyl -167:sc= -0.0878 (180deg=-0.333) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 MET CE :methyl 158:sc= -0.222 (180deg=-1.02) USER MOD Single : A 44 SER OG : rot 180:sc= 0.17 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 166:sc= -2.58 (180deg=-3.22!) USER MOD Single : A 55 MET CE :methyl 148:sc= -0.903! (180deg=-2.6!) USER MOD Single : A 56 ASN : amide:sc= 0.0981 K(o=0.098,f=-3.9!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.088 USER MOD Single : A 62 THR OG1 : rot 65:sc= 1.29 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.18) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= 1.24 (180deg=0.292) USER MOD Single : A 80 THR OG1 : rot -120:sc= 0.0627 USER MOD Single : A 85 SER OG : rot -100:sc= 1.42 USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= 2.29 (180deg=1.81) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 14 11.755 -0.726 0.027 1.00 0.88 N ATOM 50 CA ASN A 14 10.745 -0.952 1.045 1.00 0.81 C ATOM 51 C ASN A 14 9.373 -0.698 0.449 1.00 0.64 C ATOM 52 O ASN A 14 8.370 -1.201 0.943 1.00 0.66 O ATOM 53 CB ASN A 14 10.970 -0.067 2.271 1.00 0.96 C ATOM 54 CG ASN A 14 10.581 -0.782 3.551 1.00 1.62 C ATOM 55 OD1 ASN A 14 9.516 -1.394 3.640 1.00 2.24 O ATOM 56 ND2 ASN A 14 11.444 -0.725 4.549 1.00 2.24 N ATOM 0 HA ASN A 14 10.815 -1.987 1.380 1.00 0.81 H new ATOM 0 HB2 ASN A 14 12.018 0.227 2.321 1.00 0.96 H new ATOM 0 HB3 ASN A 14 10.386 0.848 2.172 1.00 0.96 H new ATOM 0 HD21 ASN A 14 11.238 -1.197 5.429 1.00 2.24 H new ATOM 0 HD22 ASN A 14 12.317 -0.209 4.440 1.00 2.24 H new ATOM 63 N LEU A 15 9.351 0.065 -0.646 1.00 0.56 N ATOM 64 CA LEU A 15 8.109 0.369 -1.352 1.00 0.48 C ATOM 65 C LEU A 15 7.504 -0.922 -1.886 1.00 0.37 C ATOM 66 O LEU A 15 6.285 -1.080 -1.932 1.00 0.33 O ATOM 67 CB LEU A 15 8.369 1.333 -2.509 1.00 0.58 C ATOM 68 CG LEU A 15 7.181 2.209 -2.918 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.675 3.571 -3.361 1.00 0.91 C ATOM 70 CD2 LEU A 15 6.390 1.559 -4.043 1.00 0.60 C ATOM 0 H LEU A 15 10.183 0.484 -1.062 1.00 0.56 H new ATOM 0 HA LEU A 15 7.416 0.842 -0.657 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.201 1.983 -2.237 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.687 0.754 -3.376 1.00 0.58 H new ATOM 0 HG LEU A 15 6.525 2.322 -2.055 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.826 4.190 -3.651 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.209 4.049 -2.540 1.00 0.91 H new ATOM 0 HD13 LEU A 15 8.347 3.455 -4.212 1.00 0.91 H new ATOM 0 HD21 LEU A 15 5.552 2.200 -4.316 1.00 0.60 H new ATOM 0 HD22 LEU A 15 7.037 1.419 -4.909 1.00 0.60 H new ATOM 0 HD23 LEU A 15 6.014 0.591 -3.711 1.00 0.60 H new ATOM 82 N ARG A 16 8.375 -1.857 -2.257 1.00 0.36 N ATOM 83 CA ARG A 16 7.935 -3.150 -2.755 1.00 0.33 C ATOM 84 C ARG A 16 7.250 -3.895 -1.619 1.00 0.27 C ATOM 85 O ARG A 16 6.240 -4.561 -1.817 1.00 0.28 O ATOM 86 CB ARG A 16 9.129 -3.951 -3.305 1.00 0.40 C ATOM 87 CG ARG A 16 9.005 -5.461 -3.145 1.00 0.65 C ATOM 88 CD ARG A 16 9.273 -6.180 -4.458 1.00 1.29 C ATOM 89 NE ARG A 16 9.129 -7.629 -4.335 1.00 2.05 N ATOM 90 CZ ARG A 16 10.141 -8.460 -4.100 1.00 2.78 C ATOM 91 NH1 ARG A 16 11.383 -7.994 -4.021 1.00 3.11 N ATOM 92 NH2 ARG A 16 9.906 -9.755 -3.954 1.00 3.67 N ATOM 0 H ARG A 16 9.388 -1.740 -2.221 1.00 0.36 H new ATOM 0 HA ARG A 16 7.231 -3.015 -3.576 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.249 -3.719 -4.363 1.00 0.40 H new ATOM 0 HB3 ARG A 16 10.036 -3.618 -2.801 1.00 0.40 H new ATOM 0 HG2 ARG A 16 9.709 -5.808 -2.388 1.00 0.65 H new ATOM 0 HG3 ARG A 16 8.005 -5.710 -2.789 1.00 0.65 H new ATOM 0 HD2 ARG A 16 8.585 -5.812 -5.219 1.00 1.29 H new ATOM 0 HD3 ARG A 16 10.281 -5.945 -4.800 1.00 1.29 H new ATOM 0 HE ARG A 16 8.196 -8.028 -4.435 1.00 2.05 H new ATOM 0 HH11 ARG A 16 11.562 -6.997 -4.141 1.00 3.11 H new ATOM 0 HH12 ARG A 16 12.157 -8.633 -3.841 1.00 3.11 H new ATOM 0 HH21 ARG A 16 8.953 -10.111 -4.022 1.00 3.67 H new ATOM 0 HH22 ARG A 16 10.678 -10.396 -3.774 1.00 3.67 H new ATOM 106 N MET A 17 7.799 -3.742 -0.413 1.00 0.28 N ATOM 107 CA MET A 17 7.236 -4.370 0.772 1.00 0.32 C ATOM 108 C MET A 17 5.890 -3.742 1.105 1.00 0.25 C ATOM 109 O MET A 17 4.964 -4.434 1.520 1.00 0.27 O ATOM 110 CB MET A 17 8.188 -4.247 1.967 1.00 0.45 C ATOM 111 CG MET A 17 8.519 -5.588 2.599 1.00 0.81 C ATOM 112 SD MET A 17 10.279 -5.809 2.921 1.00 1.96 S ATOM 113 CE MET A 17 10.920 -5.950 1.254 1.00 2.93 C ATOM 0 H MET A 17 8.636 -3.186 -0.236 1.00 0.28 H new ATOM 0 HA MET A 17 7.094 -5.430 0.561 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.111 -3.766 1.642 1.00 0.45 H new ATOM 0 HB3 MET A 17 7.738 -3.598 2.718 1.00 0.45 H new ATOM 0 HG2 MET A 17 7.970 -5.686 3.536 1.00 0.81 H new ATOM 0 HG3 MET A 17 8.174 -6.387 1.942 1.00 0.81 H new ATOM 0 HE1 MET A 17 11.946 -6.317 1.288 1.00 2.93 H new ATOM 0 HE2 MET A 17 10.304 -6.646 0.685 1.00 2.93 H new ATOM 0 HE3 MET A 17 10.901 -4.972 0.773 1.00 2.93 H new ATOM 123 N THR A 18 5.788 -2.434 0.890 1.00 0.21 N ATOM 124 CA THR A 18 4.552 -1.704 1.129 1.00 0.20 C ATOM 125 C THR A 18 3.444 -2.298 0.274 1.00 0.19 C ATOM 126 O THR A 18 2.382 -2.676 0.770 1.00 0.23 O ATOM 127 CB THR A 18 4.727 -0.214 0.772 1.00 0.27 C ATOM 128 OG1 THR A 18 5.959 0.285 1.310 1.00 0.38 O ATOM 129 CG2 THR A 18 3.570 0.621 1.288 1.00 0.30 C ATOM 0 H THR A 18 6.555 -1.855 0.548 1.00 0.21 H new ATOM 0 HA THR A 18 4.294 -1.785 2.185 1.00 0.20 H new ATOM 0 HB THR A 18 4.746 -0.136 -0.315 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.059 1.231 1.075 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.726 1.666 1.018 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.640 0.267 0.844 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.512 0.531 2.373 1.00 0.30 H new ATOM 137 N TYR A 19 3.723 -2.397 -1.018 1.00 0.21 N ATOM 138 CA TYR A 19 2.786 -2.959 -1.975 1.00 0.28 C ATOM 139 C TYR A 19 2.513 -4.437 -1.661 1.00 0.31 C ATOM 140 O TYR A 19 1.378 -4.907 -1.752 1.00 0.36 O ATOM 141 CB TYR A 19 3.352 -2.801 -3.386 1.00 0.35 C ATOM 142 CG TYR A 19 2.558 -3.510 -4.456 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.323 -3.027 -4.860 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.054 -4.651 -5.075 1.00 0.52 C ATOM 145 CE1 TYR A 19 0.599 -3.661 -5.851 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.336 -5.293 -6.064 1.00 0.59 C ATOM 147 CZ TYR A 19 1.110 -4.793 -6.450 1.00 0.52 C ATOM 148 OH TYR A 19 0.399 -5.430 -7.441 1.00 0.61 O ATOM 0 H TYR A 19 4.604 -2.090 -1.430 1.00 0.21 H new ATOM 0 HA TYR A 19 1.838 -2.425 -1.907 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.400 -1.740 -3.629 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.375 -3.178 -3.399 1.00 0.35 H new ATOM 0 HD1 TYR A 19 0.920 -2.141 -4.392 1.00 0.32 H new ATOM 0 HD2 TYR A 19 4.016 -5.042 -4.778 1.00 0.52 H new ATOM 0 HE1 TYR A 19 -0.362 -3.272 -6.155 1.00 0.39 H new ATOM 0 HE2 TYR A 19 2.732 -6.182 -6.533 1.00 0.59 H new ATOM 0 HH TYR A 19 -0.004 -4.763 -8.035 1.00 0.61 H new ATOM 158 N GLU A 20 3.570 -5.153 -1.278 1.00 0.32 N ATOM 159 CA GLU A 20 3.474 -6.568 -0.937 1.00 0.40 C ATOM 160 C GLU A 20 2.562 -6.780 0.271 1.00 0.35 C ATOM 161 O GLU A 20 1.684 -7.646 0.252 1.00 0.35 O ATOM 162 CB GLU A 20 4.873 -7.139 -0.657 1.00 0.51 C ATOM 163 CG GLU A 20 5.506 -7.807 -1.867 1.00 1.21 C ATOM 164 CD GLU A 20 6.425 -8.948 -1.487 1.00 1.65 C ATOM 165 OE1 GLU A 20 6.800 -9.049 -0.298 1.00 2.35 O ATOM 166 OE2 GLU A 20 6.777 -9.749 -2.373 1.00 1.93 O ATOM 0 H GLU A 20 4.511 -4.769 -1.196 1.00 0.32 H new ATOM 0 HA GLU A 20 3.038 -7.096 -1.785 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.524 -6.335 -0.314 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.806 -7.863 0.155 1.00 0.51 H new ATOM 0 HG2 GLU A 20 4.720 -8.181 -2.523 1.00 1.21 H new ATOM 0 HG3 GLU A 20 6.069 -7.065 -2.434 1.00 1.21 H new ATOM 173 N ARG A 21 2.766 -5.981 1.315 1.00 0.33 N ATOM 174 CA ARG A 21 1.962 -6.075 2.527 1.00 0.32 C ATOM 175 C ARG A 21 0.506 -5.730 2.242 1.00 0.26 C ATOM 176 O ARG A 21 -0.406 -6.290 2.844 1.00 0.29 O ATOM 177 CB ARG A 21 2.520 -5.136 3.599 1.00 0.34 C ATOM 178 CG ARG A 21 2.419 -5.698 5.006 1.00 0.48 C ATOM 179 CD ARG A 21 3.581 -6.619 5.328 1.00 0.87 C ATOM 180 NE ARG A 21 3.232 -8.018 5.114 1.00 1.73 N ATOM 181 CZ ARG A 21 3.886 -8.827 4.292 1.00 2.60 C ATOM 182 NH1 ARG A 21 4.953 -8.404 3.626 1.00 2.99 N ATOM 183 NH2 ARG A 21 3.473 -10.076 4.148 1.00 3.57 N ATOM 0 H ARG A 21 3.485 -5.258 1.344 1.00 0.33 H new ATOM 0 HA ARG A 21 2.007 -7.102 2.888 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.565 -4.922 3.376 1.00 0.34 H new ATOM 0 HB3 ARG A 21 1.984 -4.188 3.555 1.00 0.34 H new ATOM 0 HG2 ARG A 21 2.395 -4.878 5.724 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.482 -6.244 5.113 1.00 0.48 H new ATOM 0 HD2 ARG A 21 4.437 -6.358 4.705 1.00 0.87 H new ATOM 0 HD3 ARG A 21 3.885 -6.474 6.365 1.00 0.87 H new ATOM 0 HE ARG A 21 2.437 -8.397 5.628 1.00 1.73 H new ATOM 0 HH11 ARG A 21 5.280 -7.445 3.743 1.00 2.99 H new ATOM 0 HH12 ARG A 21 5.446 -9.038 2.997 1.00 2.99 H new ATOM 0 HH21 ARG A 21 2.659 -10.407 4.667 1.00 3.57 H new ATOM 0 HH22 ARG A 21 3.968 -10.708 3.518 1.00 3.57 H new ATOM 197 N LEU A 22 0.296 -4.823 1.305 1.00 0.22 N ATOM 198 CA LEU A 22 -1.046 -4.411 0.917 1.00 0.20 C ATOM 199 C LEU A 22 -1.772 -5.564 0.243 1.00 0.23 C ATOM 200 O LEU A 22 -2.970 -5.744 0.421 1.00 0.24 O ATOM 201 CB LEU A 22 -0.970 -3.233 -0.049 1.00 0.22 C ATOM 202 CG LEU A 22 -1.007 -1.845 0.595 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.315 -0.821 -0.290 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.441 -1.431 0.868 1.00 0.33 C ATOM 0 H LEU A 22 1.043 -4.353 0.793 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.592 -4.114 1.813 1.00 0.20 H new ATOM 0 HB2 LEU A 22 -0.051 -3.320 -0.628 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.799 -3.309 -0.753 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.471 -1.891 1.543 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.354 0.158 0.188 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.725 -1.112 -0.438 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.820 -0.774 -1.255 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.453 -0.442 1.326 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.997 -1.404 -0.069 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.905 -2.150 1.544 1.00 0.33 H new ATOM 216 N ARG A 23 -1.036 -6.349 -0.527 1.00 0.27 N ATOM 217 CA ARG A 23 -1.614 -7.483 -1.224 1.00 0.32 C ATOM 218 C ARG A 23 -1.849 -8.632 -0.259 1.00 0.31 C ATOM 219 O ARG A 23 -2.869 -9.318 -0.323 1.00 0.34 O ATOM 220 CB ARG A 23 -0.697 -7.928 -2.352 1.00 0.39 C ATOM 221 CG ARG A 23 -1.424 -8.568 -3.512 1.00 0.82 C ATOM 222 CD ARG A 23 -1.292 -7.727 -4.761 1.00 1.40 C ATOM 223 NE ARG A 23 -0.559 -8.431 -5.808 1.00 1.98 N ATOM 224 CZ ARG A 23 -0.915 -8.443 -7.090 1.00 2.61 C ATOM 225 NH1 ARG A 23 -2.021 -7.813 -7.480 1.00 3.01 N ATOM 226 NH2 ARG A 23 -0.178 -9.102 -7.980 1.00 3.33 N ATOM 0 H ARG A 23 -0.036 -6.220 -0.684 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.572 -7.180 -1.647 1.00 0.32 H new ATOM 0 HB2 ARG A 23 -0.139 -7.065 -2.716 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.032 -8.635 -1.957 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -1.020 -9.564 -3.695 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -2.478 -8.692 -3.262 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -2.283 -7.460 -5.127 1.00 1.40 H new ATOM 0 HD3 ARG A 23 -0.779 -6.796 -4.521 1.00 1.40 H new ATOM 0 HE ARG A 23 0.279 -8.947 -5.540 1.00 1.98 H new ATOM 0 HH11 ARG A 23 -2.596 -7.321 -6.796 1.00 3.01 H new ATOM 0 HH12 ARG A 23 -2.294 -7.822 -8.463 1.00 3.01 H new ATOM 0 HH21 ARG A 23 0.661 -9.599 -7.680 1.00 3.33 H new ATOM 0 HH22 ARG A 23 -0.452 -9.111 -8.963 1.00 3.33 H new ATOM 240 N GLU A 24 -0.914 -8.813 0.660 1.00 0.31 N ATOM 241 CA GLU A 24 -1.025 -9.855 1.666 1.00 0.33 C ATOM 242 C GLU A 24 -2.222 -9.562 2.562 1.00 0.28 C ATOM 243 O GLU A 24 -2.929 -10.468 3.003 1.00 0.30 O ATOM 244 CB GLU A 24 0.254 -9.907 2.499 1.00 0.38 C ATOM 245 CG GLU A 24 0.710 -11.316 2.849 1.00 0.61 C ATOM 246 CD GLU A 24 0.640 -12.279 1.681 1.00 1.63 C ATOM 247 OE1 GLU A 24 1.141 -11.926 0.593 1.00 2.24 O ATOM 248 OE2 GLU A 24 0.078 -13.384 1.836 1.00 2.36 O ATOM 0 H GLU A 24 -0.067 -8.249 0.729 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.166 -10.820 1.180 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.052 -9.404 1.953 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.097 -9.348 3.421 1.00 0.38 H new ATOM 0 HG2 GLU A 24 1.735 -11.277 3.217 1.00 0.61 H new ATOM 0 HG3 GLU A 24 0.093 -11.698 3.663 1.00 0.61 H new ATOM 255 N LEU A 25 -2.450 -8.277 2.797 1.00 0.24 N ATOM 256 CA LEU A 25 -3.559 -7.824 3.611 1.00 0.22 C ATOM 257 C LEU A 25 -4.850 -7.919 2.804 1.00 0.18 C ATOM 258 O LEU A 25 -5.903 -8.229 3.342 1.00 0.20 O ATOM 259 CB LEU A 25 -3.329 -6.373 4.058 1.00 0.22 C ATOM 260 CG LEU A 25 -3.660 -6.056 5.526 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.355 -4.707 5.639 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.501 -7.158 6.170 1.00 0.28 C ATOM 0 H LEU A 25 -1.870 -7.524 2.427 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.636 -8.455 4.497 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.284 -6.121 3.880 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.927 -5.720 3.423 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.718 -6.008 6.072 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.581 -4.501 6.685 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.701 -3.927 5.248 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.281 -4.726 5.065 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.713 -6.895 7.206 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.438 -7.266 5.624 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.952 -8.099 6.139 1.00 0.28 H new ATOM 274 N SER A 26 -4.749 -7.649 1.506 1.00 0.17 N ATOM 275 CA SER A 26 -5.896 -7.695 0.608 1.00 0.16 C ATOM 276 C SER A 26 -6.464 -9.108 0.512 1.00 0.19 C ATOM 277 O SER A 26 -7.675 -9.302 0.426 1.00 0.22 O ATOM 278 CB SER A 26 -5.488 -7.184 -0.792 1.00 0.19 C ATOM 279 OG SER A 26 -6.271 -7.769 -1.827 1.00 0.86 O ATOM 0 H SER A 26 -3.873 -7.393 1.050 1.00 0.17 H new ATOM 0 HA SER A 26 -6.675 -7.048 1.013 1.00 0.16 H new ATOM 0 HB2 SER A 26 -5.595 -6.100 -0.827 1.00 0.19 H new ATOM 0 HB3 SER A 26 -4.435 -7.406 -0.965 1.00 0.19 H new ATOM 0 HG SER A 26 -5.981 -7.418 -2.695 1.00 0.86 H new ATOM 285 N LEU A 27 -5.595 -10.096 0.532 1.00 0.23 N ATOM 286 CA LEU A 27 -6.043 -11.469 0.437 1.00 0.28 C ATOM 287 C LEU A 27 -6.528 -11.973 1.787 1.00 0.29 C ATOM 288 O LEU A 27 -7.462 -12.773 1.856 1.00 0.34 O ATOM 289 CB LEU A 27 -4.931 -12.354 -0.117 1.00 0.33 C ATOM 290 CG LEU A 27 -4.934 -12.475 -1.644 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.360 -11.214 -2.280 1.00 0.54 C ATOM 292 CD2 LEU A 27 -4.142 -13.690 -2.092 1.00 0.60 C ATOM 0 H LEU A 27 -4.585 -9.977 0.612 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.885 -11.512 -0.254 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.969 -11.955 0.204 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -5.023 -13.350 0.316 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.967 -12.596 -1.970 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.370 -11.317 -3.365 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -4.964 -10.354 -1.992 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.335 -11.068 -1.938 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -4.159 -13.754 -3.180 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -3.111 -13.599 -1.750 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.587 -14.591 -1.668 1.00 0.60 H new ATOM 304 N ASN A 28 -5.909 -11.490 2.857 1.00 0.28 N ATOM 305 CA ASN A 28 -6.294 -11.887 4.202 1.00 0.35 C ATOM 306 C ASN A 28 -7.643 -11.270 4.576 1.00 0.35 C ATOM 307 O ASN A 28 -8.569 -11.974 4.989 1.00 0.42 O ATOM 308 CB ASN A 28 -5.226 -11.477 5.221 1.00 0.41 C ATOM 309 CG ASN A 28 -4.848 -12.618 6.152 1.00 0.84 C ATOM 310 OD1 ASN A 28 -5.708 -13.321 6.675 1.00 1.14 O ATOM 311 ND2 ASN A 28 -3.556 -12.812 6.359 1.00 1.31 N ATOM 0 H ASN A 28 -5.138 -10.823 2.818 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.386 -12.973 4.220 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.337 -11.132 4.693 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.593 -10.637 5.810 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -3.245 -13.567 6.971 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -2.871 -12.207 5.907 1.00 1.31 H new ATOM 318 N LEU A 29 -7.748 -9.953 4.408 1.00 0.33 N ATOM 319 CA LEU A 29 -8.977 -9.230 4.704 1.00 0.38 C ATOM 320 C LEU A 29 -10.076 -9.671 3.756 1.00 0.40 C ATOM 321 O LEU A 29 -11.224 -9.847 4.153 1.00 0.49 O ATOM 322 CB LEU A 29 -8.762 -7.718 4.567 1.00 0.40 C ATOM 323 CG LEU A 29 -8.012 -7.050 5.709 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.593 -5.658 5.295 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.875 -6.986 6.947 1.00 0.39 C ATOM 0 H LEU A 29 -6.989 -9.364 4.066 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.268 -9.453 5.731 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.218 -7.530 3.641 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -9.736 -7.239 4.468 1.00 0.40 H new ATOM 0 HG LEU A 29 -7.125 -7.640 5.940 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -7.056 -5.181 6.115 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.944 -5.718 4.422 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.477 -5.070 5.050 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -8.320 -6.505 7.753 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.776 -6.411 6.733 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -9.152 -7.996 7.250 1.00 0.39 H new ATOM 337 N GLY A 30 -9.705 -9.864 2.498 1.00 0.35 N ATOM 338 CA GLY A 30 -10.661 -10.295 1.505 1.00 0.43 C ATOM 339 C GLY A 30 -11.276 -11.641 1.838 1.00 0.53 C ATOM 340 O GLY A 30 -12.484 -11.821 1.703 1.00 0.65 O ATOM 0 H GLY A 30 -8.756 -9.729 2.149 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.451 -9.549 1.418 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.170 -10.354 0.534 1.00 0.43 H new ATOM 344 N ASN A 31 -10.448 -12.588 2.276 1.00 0.53 N ATOM 345 CA ASN A 31 -10.925 -13.924 2.633 1.00 0.66 C ATOM 346 C ASN A 31 -11.718 -13.888 3.942 1.00 0.71 C ATOM 347 O ASN A 31 -12.476 -14.806 4.258 1.00 0.84 O ATOM 348 CB ASN A 31 -9.742 -14.887 2.772 1.00 0.70 C ATOM 349 CG ASN A 31 -10.181 -16.317 3.007 1.00 1.17 C ATOM 350 OD1 ASN A 31 -10.817 -16.935 2.153 1.00 1.94 O ATOM 351 ND2 ASN A 31 -9.845 -16.855 4.168 1.00 1.52 N ATOM 0 H ASN A 31 -9.443 -12.455 2.392 1.00 0.53 H new ATOM 0 HA ASN A 31 -11.583 -14.273 1.837 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.133 -14.841 1.869 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.110 -14.564 3.599 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -10.114 -17.816 4.382 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -9.317 -16.309 4.849 1.00 1.52 H new ATOM 358 N ARG A 32 -11.562 -12.798 4.691 1.00 0.66 N ATOM 359 CA ARG A 32 -12.273 -12.619 5.950 1.00 0.77 C ATOM 360 C ARG A 32 -13.624 -11.974 5.684 1.00 0.86 C ATOM 361 O ARG A 32 -14.458 -11.818 6.577 1.00 1.01 O ATOM 362 CB ARG A 32 -11.448 -11.755 6.905 1.00 0.76 C ATOM 363 CG ARG A 32 -11.848 -11.906 8.364 1.00 0.91 C ATOM 364 CD ARG A 32 -10.651 -11.758 9.288 1.00 1.14 C ATOM 365 NE ARG A 32 -9.743 -12.898 9.209 1.00 2.09 N ATOM 366 CZ ARG A 32 -8.418 -12.792 9.134 1.00 2.75 C ATOM 367 NH1 ARG A 32 -7.834 -11.598 9.150 1.00 2.70 N ATOM 368 NH2 ARG A 32 -7.679 -13.889 9.062 1.00 3.82 N ATOM 0 H ARG A 32 -10.946 -12.024 4.444 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.429 -13.592 6.416 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -10.395 -12.014 6.797 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -11.550 -10.709 6.615 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -12.598 -11.157 8.616 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -12.308 -12.882 8.517 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -10.109 -10.847 9.033 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -11.000 -11.645 10.315 1.00 1.14 H new ATOM 0 HE ARG A 32 -10.149 -13.834 9.211 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -8.402 -10.754 9.220 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -6.818 -11.526 9.092 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -8.126 -14.806 9.064 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -6.663 -13.817 9.004 1.00 3.82 H new ATOM 382 N MET A 33 -13.837 -11.619 4.431 1.00 0.83 N ATOM 383 CA MET A 33 -15.084 -11.009 4.018 1.00 0.96 C ATOM 384 C MET A 33 -15.931 -12.026 3.260 1.00 1.17 C ATOM 385 O MET A 33 -15.406 -13.026 2.772 1.00 1.55 O ATOM 386 CB MET A 33 -14.800 -9.773 3.159 1.00 0.80 C ATOM 387 CG MET A 33 -14.736 -8.496 3.968 1.00 0.95 C ATOM 388 SD MET A 33 -13.768 -7.211 3.162 1.00 1.18 S ATOM 389 CE MET A 33 -12.762 -6.661 4.531 1.00 1.84 C ATOM 0 H MET A 33 -13.159 -11.744 3.680 1.00 0.83 H new ATOM 0 HA MET A 33 -15.643 -10.689 4.897 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.855 -9.912 2.633 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.577 -9.678 2.400 1.00 0.80 H new ATOM 0 HG2 MET A 33 -15.748 -8.129 4.140 1.00 0.95 H new ATOM 0 HG3 MET A 33 -14.304 -8.711 4.945 1.00 0.95 H new ATOM 0 HE1 MET A 33 -12.274 -5.722 4.270 1.00 1.84 H new ATOM 0 HE2 MET A 33 -13.392 -6.511 5.408 1.00 1.84 H new ATOM 0 HE3 MET A 33 -12.006 -7.414 4.752 1.00 1.84 H new ATOM 399 N VAL A 34 -17.233 -11.783 3.172 1.00 1.22 N ATOM 400 CA VAL A 34 -18.134 -12.695 2.472 1.00 1.41 C ATOM 401 C VAL A 34 -18.928 -11.936 1.412 1.00 1.54 C ATOM 402 O VAL A 34 -19.678 -11.014 1.736 1.00 1.66 O ATOM 403 CB VAL A 34 -19.114 -13.403 3.437 1.00 1.65 C ATOM 404 CG1 VAL A 34 -19.920 -14.457 2.690 1.00 1.87 C ATOM 405 CG2 VAL A 34 -18.371 -14.035 4.603 1.00 1.64 C ATOM 0 H VAL A 34 -17.689 -10.965 3.575 1.00 1.22 H new ATOM 0 HA VAL A 34 -17.516 -13.460 2.001 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.797 -12.654 3.837 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.606 -14.948 3.381 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.488 -13.981 1.891 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.243 -15.197 2.263 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -19.084 -14.526 5.266 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.660 -14.770 4.226 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.835 -13.263 5.155 1.00 1.64 H new ATOM 415 N PRO A 35 -18.772 -12.301 0.129 1.00 1.58 N ATOM 416 CA PRO A 35 -17.890 -13.392 -0.292 1.00 1.51 C ATOM 417 C PRO A 35 -16.422 -12.978 -0.318 1.00 1.32 C ATOM 418 O PRO A 35 -16.107 -11.795 -0.496 1.00 1.30 O ATOM 419 CB PRO A 35 -18.387 -13.701 -1.699 1.00 1.71 C ATOM 420 CG PRO A 35 -18.909 -12.399 -2.207 1.00 1.86 C ATOM 421 CD PRO A 35 -19.459 -11.672 -1.011 1.00 1.75 C ATOM 0 HA PRO A 35 -17.926 -14.242 0.390 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -17.582 -14.079 -2.330 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -19.166 -14.463 -1.686 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -18.117 -11.821 -2.683 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -19.684 -12.556 -2.957 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -19.252 -10.603 -1.063 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -20.541 -11.784 -0.937 1.00 1.75 H new ATOM 429 N PRO A 36 -15.501 -13.941 -0.130 1.00 1.22 N ATOM 430 CA PRO A 36 -14.063 -13.663 -0.120 1.00 1.08 C ATOM 431 C PRO A 36 -13.625 -12.866 -1.343 1.00 1.17 C ATOM 432 O PRO A 36 -13.925 -13.231 -2.484 1.00 1.42 O ATOM 433 CB PRO A 36 -13.422 -15.051 -0.119 1.00 1.12 C ATOM 434 CG PRO A 36 -14.448 -15.944 0.486 1.00 1.14 C ATOM 435 CD PRO A 36 -15.786 -15.372 0.104 1.00 1.27 C ATOM 0 HA PRO A 36 -13.772 -13.055 0.736 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -13.167 -15.370 -1.130 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -12.499 -15.060 0.460 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -14.342 -16.964 0.117 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -14.338 -15.984 1.570 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -16.186 -15.852 -0.789 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -16.521 -15.509 0.897 1.00 1.27 H new ATOM 443 N VAL A 37 -12.940 -11.768 -1.087 1.00 0.99 N ATOM 444 CA VAL A 37 -12.473 -10.885 -2.143 1.00 1.08 C ATOM 445 C VAL A 37 -10.977 -11.030 -2.378 1.00 1.24 C ATOM 446 O VAL A 37 -10.170 -10.494 -1.625 1.00 2.02 O ATOM 447 CB VAL A 37 -12.787 -9.408 -1.829 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.410 -8.733 -3.041 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.702 -9.293 -0.617 1.00 0.81 C ATOM 0 H VAL A 37 -12.691 -11.462 -0.146 1.00 0.99 H new ATOM 0 HA VAL A 37 -13.007 -11.182 -3.046 1.00 1.08 H new ATOM 0 HB VAL A 37 -11.852 -8.900 -1.592 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.627 -7.691 -2.806 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -12.716 -8.779 -3.880 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -14.335 -9.245 -3.307 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.909 -8.242 -0.416 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.638 -9.815 -0.817 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.215 -9.740 0.250 1.00 0.81 H new ATOM 459 N GLY A 38 -10.610 -11.732 -3.442 1.00 1.18 N ATOM 460 CA GLY A 38 -9.204 -11.897 -3.763 1.00 1.27 C ATOM 461 C GLY A 38 -8.599 -10.574 -4.197 1.00 1.09 C ATOM 462 O GLY A 38 -7.430 -10.285 -3.925 1.00 1.23 O ATOM 0 H GLY A 38 -11.256 -12.188 -4.086 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -8.669 -12.281 -2.894 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -9.090 -12.634 -4.558 1.00 1.27 H new ATOM 466 N ASN A 39 -9.431 -9.757 -4.837 1.00 0.92 N ATOM 467 CA ASN A 39 -9.048 -8.427 -5.285 1.00 0.82 C ATOM 468 C ASN A 39 -9.705 -7.415 -4.358 1.00 0.64 C ATOM 469 O ASN A 39 -10.597 -6.662 -4.751 1.00 0.74 O ATOM 470 CB ASN A 39 -9.472 -8.184 -6.743 1.00 0.99 C ATOM 471 CG ASN A 39 -8.747 -7.015 -7.373 1.00 1.44 C ATOM 472 OD1 ASN A 39 -9.249 -5.887 -7.378 1.00 2.12 O ATOM 473 ND2 ASN A 39 -7.566 -7.273 -7.910 1.00 2.13 N ATOM 0 H ASN A 39 -10.395 -10.003 -5.059 1.00 0.92 H new ATOM 0 HA ASN A 39 -7.963 -8.325 -5.250 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -9.280 -9.084 -7.328 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -10.546 -8.003 -6.780 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -7.032 -6.524 -8.351 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -7.190 -8.221 -7.883 1.00 2.13 H new ATOM 480 N PHE A 40 -9.265 -7.440 -3.107 1.00 0.46 N ATOM 481 CA PHE A 40 -9.789 -6.563 -2.069 1.00 0.32 C ATOM 482 C PHE A 40 -9.539 -5.105 -2.451 1.00 0.28 C ATOM 483 O PHE A 40 -10.429 -4.255 -2.349 1.00 0.52 O ATOM 484 CB PHE A 40 -9.109 -6.940 -0.754 1.00 0.24 C ATOM 485 CG PHE A 40 -9.382 -6.041 0.415 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.675 -5.754 0.817 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.326 -5.508 1.128 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.906 -4.943 1.910 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.543 -4.701 2.222 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.838 -4.414 2.616 1.00 0.33 C ATOM 0 H PHE A 40 -8.532 -8.071 -2.783 1.00 0.46 H new ATOM 0 HA PHE A 40 -10.867 -6.680 -1.956 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.416 -7.951 -0.487 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.032 -6.967 -0.921 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.510 -6.168 0.271 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.314 -5.728 0.822 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.918 -4.721 2.214 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.706 -4.294 2.770 1.00 0.26 H new ATOM 0 HZ PHE A 40 -10.016 -3.779 3.472 1.00 0.33 H new ATOM 500 N MET A 41 -8.351 -4.845 -2.957 1.00 0.22 N ATOM 501 CA MET A 41 -7.988 -3.525 -3.424 1.00 0.18 C ATOM 502 C MET A 41 -7.342 -3.672 -4.796 1.00 0.20 C ATOM 503 O MET A 41 -6.474 -4.529 -4.980 1.00 0.24 O ATOM 504 CB MET A 41 -7.036 -2.844 -2.439 1.00 0.17 C ATOM 505 CG MET A 41 -6.951 -1.334 -2.606 1.00 0.21 C ATOM 506 SD MET A 41 -8.568 -0.541 -2.692 1.00 0.28 S ATOM 507 CE MET A 41 -8.656 0.233 -1.079 1.00 0.25 C ATOM 0 H MET A 41 -7.612 -5.541 -3.056 1.00 0.22 H new ATOM 0 HA MET A 41 -8.875 -2.896 -3.498 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.359 -3.069 -1.423 1.00 0.17 H new ATOM 0 HB3 MET A 41 -6.040 -3.269 -2.559 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.390 -0.913 -1.772 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.392 -1.105 -3.513 1.00 0.21 H new ATOM 0 HE1 MET A 41 -9.372 1.055 -1.108 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.976 -0.501 -0.340 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.673 0.618 -0.806 1.00 0.25 H new ATOM 517 N PRO A 42 -7.767 -2.865 -5.783 1.00 0.20 N ATOM 518 CA PRO A 42 -7.234 -2.930 -7.149 1.00 0.24 C ATOM 519 C PRO A 42 -5.714 -2.811 -7.200 1.00 0.21 C ATOM 520 O PRO A 42 -5.113 -2.018 -6.467 1.00 0.20 O ATOM 521 CB PRO A 42 -7.869 -1.726 -7.839 1.00 0.29 C ATOM 522 CG PRO A 42 -9.131 -1.489 -7.086 1.00 0.27 C ATOM 523 CD PRO A 42 -8.823 -1.846 -5.656 1.00 0.23 C ATOM 0 HA PRO A 42 -7.462 -3.888 -7.617 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.214 -0.855 -7.801 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.067 -1.930 -8.891 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.449 -0.450 -7.171 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.942 -2.103 -7.477 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.481 -0.980 -5.090 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.700 -2.237 -5.141 1.00 0.23 H new ATOM 531 N ASP A 43 -5.121 -3.601 -8.082 1.00 0.23 N ATOM 532 CA ASP A 43 -3.673 -3.631 -8.285 1.00 0.23 C ATOM 533 C ASP A 43 -3.109 -2.230 -8.516 1.00 0.22 C ATOM 534 O ASP A 43 -2.073 -1.860 -7.962 1.00 0.23 O ATOM 535 CB ASP A 43 -3.367 -4.514 -9.503 1.00 0.29 C ATOM 536 CG ASP A 43 -1.930 -4.984 -9.567 1.00 0.78 C ATOM 537 OD1 ASP A 43 -1.021 -4.136 -9.435 1.00 1.08 O ATOM 538 OD2 ASP A 43 -1.697 -6.199 -9.724 1.00 1.51 O ATOM 0 H ASP A 43 -5.632 -4.246 -8.684 1.00 0.23 H new ATOM 0 HA ASP A 43 -3.204 -4.034 -7.388 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -4.024 -5.384 -9.485 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.599 -3.958 -10.411 1.00 0.29 H new ATOM 543 N SER A 44 -3.806 -1.459 -9.337 1.00 0.23 N ATOM 544 CA SER A 44 -3.392 -0.106 -9.661 1.00 0.25 C ATOM 545 C SER A 44 -3.434 0.799 -8.430 1.00 0.23 C ATOM 546 O SER A 44 -2.483 1.535 -8.156 1.00 0.26 O ATOM 547 CB SER A 44 -4.303 0.443 -10.753 1.00 0.32 C ATOM 548 OG SER A 44 -5.357 -0.470 -11.019 1.00 0.57 O ATOM 0 H SER A 44 -4.669 -1.753 -9.794 1.00 0.23 H new ATOM 0 HA SER A 44 -2.361 -0.129 -10.015 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.714 1.404 -10.444 1.00 0.32 H new ATOM 0 HB3 SER A 44 -3.728 0.620 -11.662 1.00 0.32 H new ATOM 0 HG SER A 44 -5.936 -0.106 -11.721 1.00 0.57 H new ATOM 554 N ILE A 45 -4.545 0.750 -7.697 1.00 0.21 N ATOM 555 CA ILE A 45 -4.714 1.578 -6.504 1.00 0.21 C ATOM 556 C ILE A 45 -3.687 1.216 -5.438 1.00 0.17 C ATOM 557 O ILE A 45 -3.180 2.093 -4.734 1.00 0.18 O ATOM 558 CB ILE A 45 -6.141 1.451 -5.911 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.184 1.841 -6.964 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.297 2.302 -4.653 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.466 3.329 -7.052 1.00 0.34 C ATOM 0 H ILE A 45 -5.340 0.147 -7.908 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.561 2.612 -6.814 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.301 0.411 -5.625 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.846 1.490 -7.939 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.116 1.320 -6.744 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.308 2.191 -4.262 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.579 1.975 -3.901 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -6.115 3.349 -4.897 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.215 3.512 -7.822 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.838 3.686 -6.092 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.548 3.859 -7.305 1.00 0.34 H new ATOM 573 N LEU A 46 -3.373 -0.064 -5.331 1.00 0.16 N ATOM 574 CA LEU A 46 -2.399 -0.514 -4.353 1.00 0.16 C ATOM 575 C LEU A 46 -1.025 0.062 -4.645 1.00 0.16 C ATOM 576 O LEU A 46 -0.278 0.400 -3.735 1.00 0.19 O ATOM 577 CB LEU A 46 -2.291 -2.037 -4.360 1.00 0.18 C ATOM 578 CG LEU A 46 -3.499 -2.793 -3.820 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.456 -4.244 -4.268 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.558 -2.707 -2.306 1.00 0.19 C ATOM 0 H LEU A 46 -3.775 -0.805 -5.905 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.741 -0.169 -3.377 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -2.110 -2.364 -5.384 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.417 -2.323 -3.775 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.400 -2.329 -4.221 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.325 -4.772 -3.875 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.466 -4.289 -5.357 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.546 -4.714 -3.894 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.429 -3.254 -1.944 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.654 -3.142 -1.881 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.634 -1.663 -2.004 1.00 0.19 H new ATOM 592 N LYS A 47 -0.689 0.139 -5.922 1.00 0.17 N ATOM 593 CA LYS A 47 0.611 0.631 -6.338 1.00 0.19 C ATOM 594 C LYS A 47 0.810 2.120 -6.040 1.00 0.18 C ATOM 595 O LYS A 47 1.852 2.507 -5.521 1.00 0.20 O ATOM 596 CB LYS A 47 0.809 0.353 -7.825 1.00 0.24 C ATOM 597 CG LYS A 47 1.336 -1.045 -8.093 1.00 0.31 C ATOM 598 CD LYS A 47 1.121 -1.477 -9.539 1.00 0.44 C ATOM 599 CE LYS A 47 2.031 -2.641 -9.895 1.00 0.88 C ATOM 600 NZ LYS A 47 1.335 -3.697 -10.680 1.00 0.97 N ATOM 0 H LYS A 47 -1.302 -0.134 -6.690 1.00 0.17 H new ATOM 0 HA LYS A 47 1.363 0.098 -5.755 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.140 0.485 -8.345 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.504 1.084 -8.238 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.400 -1.081 -7.860 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.840 -1.752 -7.427 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.080 -1.765 -9.686 1.00 0.44 H new ATOM 0 HD3 LYS A 47 1.317 -0.638 -10.207 1.00 0.44 H new ATOM 0 HE2 LYS A 47 2.881 -2.270 -10.467 1.00 0.88 H new ATOM 0 HE3 LYS A 47 2.429 -3.078 -8.979 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 1.817 -4.608 -10.540 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.349 -3.775 -10.359 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 1.352 -3.447 -11.689 1.00 0.97 H new ATOM 614 N LYS A 48 -0.171 2.949 -6.365 1.00 0.17 N ATOM 615 CA LYS A 48 -0.043 4.390 -6.122 1.00 0.18 C ATOM 616 C LYS A 48 -0.085 4.708 -4.633 1.00 0.18 C ATOM 617 O LYS A 48 0.654 5.567 -4.148 1.00 0.20 O ATOM 618 CB LYS A 48 -1.136 5.184 -6.848 1.00 0.20 C ATOM 619 CG LYS A 48 -2.495 4.505 -6.888 1.00 0.31 C ATOM 620 CD LYS A 48 -3.432 5.192 -7.871 1.00 0.32 C ATOM 621 CE LYS A 48 -4.039 4.198 -8.849 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.200 4.762 -10.218 1.00 0.77 N ATOM 0 H LYS A 48 -1.052 2.662 -6.791 1.00 0.17 H new ATOM 0 HA LYS A 48 0.927 4.690 -6.519 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.244 6.154 -6.363 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -0.810 5.374 -7.871 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.372 3.459 -7.170 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -2.938 4.516 -5.892 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.228 5.698 -7.324 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -2.886 5.958 -8.421 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -3.407 3.311 -8.898 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -5.012 3.876 -8.477 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -4.617 4.043 -10.843 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.825 5.593 -10.180 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -3.270 5.045 -10.588 1.00 0.77 H new ATOM 636 N MET A 49 -0.955 4.009 -3.917 1.00 0.17 N ATOM 637 CA MET A 49 -1.112 4.209 -2.483 1.00 0.17 C ATOM 638 C MET A 49 0.158 3.785 -1.739 1.00 0.17 C ATOM 639 O MET A 49 0.509 4.374 -0.726 1.00 0.19 O ATOM 640 CB MET A 49 -2.356 3.455 -1.973 1.00 0.17 C ATOM 641 CG MET A 49 -2.060 2.258 -1.080 1.00 0.19 C ATOM 642 SD MET A 49 -3.284 2.049 0.225 1.00 1.07 S ATOM 643 CE MET A 49 -4.466 0.976 -0.582 1.00 0.22 C ATOM 0 H MET A 49 -1.567 3.293 -4.309 1.00 0.17 H new ATOM 0 HA MET A 49 -1.265 5.270 -2.286 1.00 0.17 H new ATOM 0 HB2 MET A 49 -2.986 4.154 -1.422 1.00 0.17 H new ATOM 0 HB3 MET A 49 -2.934 3.115 -2.832 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.026 1.355 -1.689 1.00 0.19 H new ATOM 0 HG3 MET A 49 -1.074 2.378 -0.632 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.145 0.558 0.161 1.00 0.22 H new ATOM 0 HE2 MET A 49 -5.037 1.548 -1.313 1.00 0.22 H new ATOM 0 HE3 MET A 49 -3.938 0.167 -1.087 1.00 0.22 H new ATOM 653 N ALA A 50 0.852 2.780 -2.274 1.00 0.16 N ATOM 654 CA ALA A 50 2.097 2.294 -1.675 1.00 0.17 C ATOM 655 C ALA A 50 3.256 3.235 -1.996 1.00 0.18 C ATOM 656 O ALA A 50 4.224 3.337 -1.241 1.00 0.22 O ATOM 657 CB ALA A 50 2.410 0.880 -2.166 1.00 0.19 C ATOM 0 H ALA A 50 0.573 2.286 -3.122 1.00 0.16 H new ATOM 0 HA ALA A 50 1.966 2.267 -0.593 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.338 0.534 -1.711 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.597 0.210 -1.887 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.518 0.887 -3.251 1.00 0.19 H new ATOM 663 N ALA A 51 3.163 3.917 -3.127 1.00 0.18 N ATOM 664 CA ALA A 51 4.212 4.830 -3.550 1.00 0.22 C ATOM 665 C ALA A 51 4.157 6.157 -2.802 1.00 0.24 C ATOM 666 O ALA A 51 5.193 6.754 -2.506 1.00 0.30 O ATOM 667 CB ALA A 51 4.120 5.061 -5.045 1.00 0.25 C ATOM 0 H ALA A 51 2.372 3.855 -3.768 1.00 0.18 H new ATOM 0 HA ALA A 51 5.170 4.368 -3.310 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.909 5.746 -5.357 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.237 4.112 -5.568 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.149 5.492 -5.288 1.00 0.25 H new ATOM 673 N ILE A 52 2.955 6.636 -2.518 1.00 0.24 N ATOM 674 CA ILE A 52 2.797 7.914 -1.832 1.00 0.28 C ATOM 675 C ILE A 52 2.573 7.728 -0.330 1.00 0.26 C ATOM 676 O ILE A 52 3.023 8.546 0.480 1.00 0.31 O ATOM 677 CB ILE A 52 1.618 8.698 -2.448 1.00 0.31 C ATOM 678 CG1 ILE A 52 2.067 9.422 -3.716 1.00 0.36 C ATOM 679 CG2 ILE A 52 1.019 9.683 -1.459 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.584 8.758 -4.985 1.00 0.37 C ATOM 0 H ILE A 52 2.080 6.165 -2.749 1.00 0.24 H new ATOM 0 HA ILE A 52 3.721 8.478 -1.962 1.00 0.28 H new ATOM 0 HB ILE A 52 0.841 7.978 -2.706 1.00 0.31 H new ATOM 0 HG12 ILE A 52 1.701 10.448 -3.689 1.00 0.36 H new ATOM 0 HG13 ILE A 52 3.156 9.472 -3.732 1.00 0.36 H new ATOM 0 HG21 ILE A 52 0.193 10.215 -1.930 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.652 9.144 -0.585 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.782 10.398 -1.151 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.937 9.322 -5.848 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.971 7.740 -5.033 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.494 8.732 -4.990 1.00 0.37 H new ATOM 692 N LEU A 53 1.876 6.654 0.016 1.00 0.21 N ATOM 693 CA LEU A 53 1.556 6.326 1.404 1.00 0.21 C ATOM 694 C LEU A 53 0.757 7.446 2.064 1.00 0.23 C ATOM 695 O LEU A 53 1.285 8.227 2.858 1.00 0.27 O ATOM 696 CB LEU A 53 2.830 6.027 2.185 1.00 0.24 C ATOM 697 CG LEU A 53 3.343 4.598 2.029 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.772 4.490 2.517 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.448 3.636 2.789 1.00 0.35 C ATOM 0 H LEU A 53 1.514 5.981 -0.659 1.00 0.21 H new ATOM 0 HA LEU A 53 0.933 5.432 1.409 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.610 6.717 1.863 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.648 6.222 3.242 1.00 0.24 H new ATOM 0 HG LEU A 53 3.322 4.334 0.972 1.00 0.26 H new ATOM 0 HD11 LEU A 53 5.121 3.464 2.398 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.407 5.159 1.935 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.819 4.769 3.570 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.823 2.619 2.671 1.00 0.35 H new ATOM 0 HD22 LEU A 53 2.444 3.901 3.846 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.433 3.696 2.396 1.00 0.35 H new ATOM 711 N PRO A 54 -0.538 7.545 1.730 1.00 0.24 N ATOM 712 CA PRO A 54 -1.423 8.577 2.270 1.00 0.30 C ATOM 713 C PRO A 54 -1.861 8.279 3.701 1.00 0.40 C ATOM 714 O PRO A 54 -2.702 7.413 3.935 1.00 0.48 O ATOM 715 CB PRO A 54 -2.637 8.556 1.331 1.00 0.36 C ATOM 716 CG PRO A 54 -2.313 7.577 0.243 1.00 0.25 C ATOM 717 CD PRO A 54 -1.252 6.670 0.791 1.00 0.23 C ATOM 0 HA PRO A 54 -0.923 9.544 2.316 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.538 8.257 1.867 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -2.826 9.547 0.918 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.198 7.010 -0.045 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -1.960 8.092 -0.650 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.680 5.801 1.291 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.595 6.294 0.007 1.00 0.23 H new ATOM 725 N MET A 55 -1.301 9.016 4.651 1.00 0.49 N ATOM 726 CA MET A 55 -1.641 8.839 6.060 1.00 0.64 C ATOM 727 C MET A 55 -2.897 9.634 6.403 1.00 0.72 C ATOM 728 O MET A 55 -3.495 9.457 7.466 1.00 1.02 O ATOM 729 CB MET A 55 -0.473 9.273 6.954 1.00 0.80 C ATOM 730 CG MET A 55 0.437 8.121 7.368 1.00 1.07 C ATOM 731 SD MET A 55 1.111 8.306 9.038 1.00 1.66 S ATOM 732 CE MET A 55 -0.374 8.708 9.958 1.00 1.52 C ATOM 0 H MET A 55 -0.608 9.743 4.473 1.00 0.49 H new ATOM 0 HA MET A 55 -1.837 7.782 6.240 1.00 0.64 H new ATOM 0 HB2 MET A 55 0.119 10.022 6.427 1.00 0.80 H new ATOM 0 HB3 MET A 55 -0.870 9.752 7.849 1.00 0.80 H new ATOM 0 HG2 MET A 55 -0.122 7.187 7.311 1.00 1.07 H new ATOM 0 HG3 MET A 55 1.260 8.044 6.658 1.00 1.07 H new ATOM 0 HE1 MET A 55 -0.293 8.313 10.971 1.00 1.52 H new ATOM 0 HE2 MET A 55 -0.495 9.791 9.999 1.00 1.52 H new ATOM 0 HE3 MET A 55 -1.239 8.265 9.464 1.00 1.52 H new ATOM 742 N ASN A 56 -3.297 10.500 5.487 1.00 0.66 N ATOM 743 CA ASN A 56 -4.488 11.313 5.674 1.00 0.84 C ATOM 744 C ASN A 56 -5.432 11.157 4.490 1.00 0.69 C ATOM 745 O ASN A 56 -5.008 10.817 3.387 1.00 0.59 O ATOM 746 CB ASN A 56 -4.115 12.786 5.860 1.00 1.13 C ATOM 747 CG ASN A 56 -5.122 13.540 6.713 1.00 1.94 C ATOM 748 OD1 ASN A 56 -6.140 12.983 7.127 1.00 2.68 O ATOM 749 ND2 ASN A 56 -4.847 14.808 6.982 1.00 2.34 N ATOM 0 H ASN A 56 -2.813 10.659 4.603 1.00 0.66 H new ATOM 0 HA ASN A 56 -4.996 10.968 6.575 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -3.130 12.852 6.323 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -4.041 13.264 4.883 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -5.489 15.360 7.551 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -3.993 15.232 6.620 1.00 2.34 H new ATOM 756 N ASP A 57 -6.710 11.404 4.737 1.00 0.76 N ATOM 757 CA ASP A 57 -7.743 11.292 3.711 1.00 0.76 C ATOM 758 C ASP A 57 -7.587 12.370 2.643 1.00 0.73 C ATOM 759 O ASP A 57 -7.971 12.175 1.491 1.00 1.11 O ATOM 760 CB ASP A 57 -9.123 11.393 4.349 1.00 0.96 C ATOM 761 CG ASP A 57 -10.000 10.212 4.002 1.00 1.69 C ATOM 762 OD1 ASP A 57 -9.585 9.061 4.251 1.00 2.68 O ATOM 763 OD2 ASP A 57 -11.117 10.429 3.502 1.00 1.77 O ATOM 0 H ASP A 57 -7.062 11.687 5.651 1.00 0.76 H new ATOM 0 HA ASP A 57 -7.633 10.320 3.229 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.017 11.459 5.432 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.607 12.312 4.020 1.00 0.96 H new ATOM 768 N SER A 58 -7.010 13.506 3.021 1.00 0.67 N ATOM 769 CA SER A 58 -6.794 14.604 2.083 1.00 0.72 C ATOM 770 C SER A 58 -5.762 14.206 1.027 1.00 0.66 C ATOM 771 O SER A 58 -5.821 14.647 -0.124 1.00 0.77 O ATOM 772 CB SER A 58 -6.328 15.847 2.831 1.00 0.87 C ATOM 773 OG SER A 58 -6.585 15.724 4.221 1.00 1.02 O ATOM 0 H SER A 58 -6.683 13.691 3.969 1.00 0.67 H new ATOM 0 HA SER A 58 -7.736 14.826 1.582 1.00 0.72 H new ATOM 0 HB2 SER A 58 -5.261 15.998 2.666 1.00 0.87 H new ATOM 0 HB3 SER A 58 -6.839 16.726 2.438 1.00 0.87 H new ATOM 0 HG SER A 58 -6.277 16.531 4.683 1.00 1.02 H new ATOM 779 N ALA A 59 -4.829 13.345 1.425 1.00 0.58 N ATOM 780 CA ALA A 59 -3.790 12.856 0.528 1.00 0.59 C ATOM 781 C ALA A 59 -4.375 11.854 -0.461 1.00 0.51 C ATOM 782 O ALA A 59 -3.857 11.666 -1.564 1.00 0.59 O ATOM 783 CB ALA A 59 -2.651 12.225 1.319 1.00 0.62 C ATOM 0 H ALA A 59 -4.773 12.970 2.372 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.389 13.702 -0.031 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.885 11.866 0.631 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.218 12.968 1.989 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.034 11.389 1.904 1.00 0.62 H new ATOM 789 N PHE A 60 -5.455 11.208 -0.046 1.00 0.40 N ATOM 790 CA PHE A 60 -6.130 10.211 -0.863 1.00 0.37 C ATOM 791 C PHE A 60 -6.636 10.795 -2.184 1.00 0.42 C ATOM 792 O PHE A 60 -6.764 10.074 -3.173 1.00 0.46 O ATOM 793 CB PHE A 60 -7.301 9.597 -0.087 1.00 0.33 C ATOM 794 CG PHE A 60 -6.930 8.314 0.587 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.908 7.518 0.097 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.609 7.900 1.715 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.579 6.332 0.725 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.286 6.720 2.344 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.213 5.934 1.818 1.00 0.24 C ATOM 0 H PHE A 60 -5.887 11.360 0.865 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.399 9.438 -1.100 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.651 10.309 0.661 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -8.132 9.418 -0.770 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.364 7.827 -0.783 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.406 8.512 2.110 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.790 5.718 0.317 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.831 6.394 3.217 1.00 0.37 H new ATOM 0 HZ PHE A 60 -5.920 5.018 2.311 1.00 0.24 H new ATOM 809 N ALA A 61 -6.923 12.092 -2.201 1.00 0.47 N ATOM 810 CA ALA A 61 -7.421 12.748 -3.409 1.00 0.56 C ATOM 811 C ALA A 61 -6.357 12.803 -4.514 1.00 0.58 C ATOM 812 O ALA A 61 -6.687 12.854 -5.702 1.00 0.64 O ATOM 813 CB ALA A 61 -7.906 14.154 -3.084 1.00 0.67 C ATOM 0 H ALA A 61 -6.821 12.710 -1.396 1.00 0.47 H new ATOM 0 HA ALA A 61 -8.255 12.153 -3.782 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -8.274 14.631 -3.992 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -8.710 14.101 -2.350 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -7.081 14.738 -2.676 1.00 0.67 H new ATOM 819 N THR A 62 -5.090 12.784 -4.125 1.00 0.57 N ATOM 820 CA THR A 62 -4.001 12.834 -5.091 1.00 0.64 C ATOM 821 C THR A 62 -3.682 11.463 -5.669 1.00 0.53 C ATOM 822 O THR A 62 -2.910 11.352 -6.620 1.00 0.57 O ATOM 823 CB THR A 62 -2.741 13.454 -4.502 1.00 0.78 C ATOM 824 OG1 THR A 62 -2.858 13.584 -3.082 1.00 1.03 O ATOM 825 CG2 THR A 62 -2.494 14.818 -5.109 1.00 1.13 C ATOM 0 H THR A 62 -4.791 12.735 -3.151 1.00 0.57 H new ATOM 0 HA THR A 62 -4.351 13.473 -5.902 1.00 0.64 H new ATOM 0 HB THR A 62 -1.903 12.796 -4.732 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.909 12.694 -2.675 1.00 1.03 H new ATOM 0 HG21 THR A 62 -1.590 15.249 -4.679 1.00 1.13 H new ATOM 0 HG22 THR A 62 -2.371 14.719 -6.188 1.00 1.13 H new ATOM 0 HG23 THR A 62 -3.343 15.469 -4.898 1.00 1.13 H new ATOM 833 N LEU A 63 -4.304 10.415 -5.129 1.00 0.44 N ATOM 834 CA LEU A 63 -4.104 9.064 -5.644 1.00 0.40 C ATOM 835 C LEU A 63 -4.669 8.992 -7.051 1.00 0.48 C ATOM 836 O LEU A 63 -4.135 8.317 -7.928 1.00 0.68 O ATOM 837 CB LEU A 63 -4.825 8.029 -4.774 1.00 0.34 C ATOM 838 CG LEU A 63 -4.061 7.540 -3.549 1.00 0.27 C ATOM 839 CD1 LEU A 63 -4.814 6.412 -2.866 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.674 7.071 -3.932 1.00 0.27 C ATOM 0 H LEU A 63 -4.947 10.476 -4.339 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.037 8.843 -5.637 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -5.770 8.458 -4.441 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.067 7.167 -5.395 1.00 0.34 H new ATOM 0 HG LEU A 63 -3.969 8.376 -2.856 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.253 6.076 -1.994 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -5.795 6.768 -2.552 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -4.935 5.582 -3.562 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.148 6.727 -3.042 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.751 6.252 -4.647 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.123 7.896 -4.383 1.00 0.27 H new ATOM 852 N GLY A 64 -5.766 9.705 -7.240 1.00 0.63 N ATOM 853 CA GLY A 64 -6.436 9.745 -8.518 1.00 0.76 C ATOM 854 C GLY A 64 -7.938 9.717 -8.337 1.00 0.91 C ATOM 855 O GLY A 64 -8.641 8.984 -9.032 1.00 1.61 O ATOM 0 H GLY A 64 -6.211 10.267 -6.514 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -6.147 10.647 -9.057 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.122 8.896 -9.125 1.00 0.76 H new ATOM 859 N THR A 65 -8.408 10.519 -7.373 1.00 1.22 N ATOM 860 CA THR A 65 -9.829 10.633 -7.028 1.00 1.52 C ATOM 861 C THR A 65 -10.488 9.266 -6.851 1.00 1.28 C ATOM 862 O THR A 65 -11.198 8.781 -7.734 1.00 1.56 O ATOM 863 CB THR A 65 -10.608 11.463 -8.056 1.00 2.09 C ATOM 864 OG1 THR A 65 -9.741 11.892 -9.117 1.00 2.14 O ATOM 865 CG2 THR A 65 -11.241 12.680 -7.395 1.00 2.55 C ATOM 0 H THR A 65 -7.804 11.113 -6.805 1.00 1.22 H new ATOM 0 HA THR A 65 -9.865 11.155 -6.072 1.00 1.52 H new ATOM 0 HB THR A 65 -11.396 10.833 -8.469 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.253 12.419 -9.765 1.00 2.14 H new ATOM 0 HG21 THR A 65 -11.789 13.255 -8.141 1.00 2.55 H new ATOM 0 HG22 THR A 65 -11.927 12.354 -6.613 1.00 2.55 H new ATOM 0 HG23 THR A 65 -10.461 13.303 -6.957 1.00 2.55 H new ATOM 873 N VAL A 66 -10.240 8.648 -5.699 1.00 0.89 N ATOM 874 CA VAL A 66 -10.803 7.338 -5.400 1.00 0.69 C ATOM 875 C VAL A 66 -12.300 7.445 -5.129 1.00 0.68 C ATOM 876 O VAL A 66 -12.755 8.384 -4.473 1.00 0.72 O ATOM 877 CB VAL A 66 -10.118 6.666 -4.186 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.695 6.248 -4.525 1.00 0.58 C ATOM 879 CG2 VAL A 66 -10.138 7.576 -2.961 1.00 0.58 C ATOM 0 H VAL A 66 -9.653 9.034 -4.959 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.626 6.717 -6.278 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.687 5.769 -3.943 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.237 5.779 -3.655 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.711 5.539 -5.353 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.116 7.126 -4.811 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.649 7.074 -2.126 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.609 8.502 -3.187 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -11.170 7.803 -2.693 1.00 0.58 H new ATOM 889 N GLU A 67 -13.063 6.484 -5.626 1.00 0.72 N ATOM 890 CA GLU A 67 -14.501 6.480 -5.426 1.00 0.79 C ATOM 891 C GLU A 67 -14.820 6.256 -3.949 1.00 0.63 C ATOM 892 O GLU A 67 -13.997 5.711 -3.206 1.00 0.49 O ATOM 893 CB GLU A 67 -15.154 5.391 -6.281 1.00 0.94 C ATOM 894 CG GLU A 67 -15.553 5.857 -7.669 1.00 1.19 C ATOM 895 CD GLU A 67 -14.977 4.989 -8.769 1.00 1.70 C ATOM 896 OE1 GLU A 67 -15.496 3.874 -8.987 1.00 2.42 O ATOM 897 OE2 GLU A 67 -13.997 5.416 -9.416 1.00 2.16 O ATOM 0 H GLU A 67 -12.709 5.697 -6.171 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.902 7.446 -5.732 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.463 4.553 -6.374 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -16.039 5.019 -5.765 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.640 5.861 -7.747 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.220 6.885 -7.812 1.00 1.19 H new ATOM 904 N ASP A 68 -16.003 6.676 -3.520 1.00 0.71 N ATOM 905 CA ASP A 68 -16.402 6.514 -2.121 1.00 0.67 C ATOM 906 C ASP A 68 -16.414 5.046 -1.722 1.00 0.54 C ATOM 907 O ASP A 68 -16.062 4.705 -0.596 1.00 0.55 O ATOM 908 CB ASP A 68 -17.774 7.133 -1.862 1.00 0.85 C ATOM 909 CG ASP A 68 -17.825 7.927 -0.567 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.840 7.300 0.521 1.00 1.61 O ATOM 911 OD2 ASP A 68 -17.844 9.176 -0.622 1.00 1.72 O ATOM 0 H ASP A 68 -16.700 7.128 -4.112 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.665 7.036 -1.511 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.036 7.786 -2.694 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.524 6.343 -1.829 1.00 0.85 H new ATOM 916 N LYS A 69 -16.808 4.174 -2.648 1.00 0.55 N ATOM 917 CA LYS A 69 -16.850 2.742 -2.370 1.00 0.58 C ATOM 918 C LYS A 69 -15.439 2.188 -2.120 1.00 0.51 C ATOM 919 O LYS A 69 -15.264 1.204 -1.402 1.00 0.60 O ATOM 920 CB LYS A 69 -17.544 1.980 -3.508 1.00 0.71 C ATOM 921 CG LYS A 69 -16.702 1.831 -4.765 1.00 0.82 C ATOM 922 CD LYS A 69 -17.321 2.581 -5.933 1.00 1.15 C ATOM 923 CE LYS A 69 -17.273 1.759 -7.211 1.00 1.53 C ATOM 924 NZ LYS A 69 -17.722 2.536 -8.395 1.00 1.97 N ATOM 0 H LYS A 69 -17.101 4.432 -3.590 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.435 2.595 -1.462 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.820 0.988 -3.150 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.470 2.496 -3.764 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.696 2.208 -4.579 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -16.605 0.775 -5.018 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -18.356 2.831 -5.699 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -16.792 3.522 -6.084 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -16.255 1.405 -7.375 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -17.903 0.877 -7.097 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -17.917 1.886 -9.183 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -18.588 3.061 -8.158 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -16.977 3.205 -8.674 1.00 1.97 H new ATOM 938 N TYR A 70 -14.431 2.848 -2.683 1.00 0.43 N ATOM 939 CA TYR A 70 -13.048 2.430 -2.490 1.00 0.39 C ATOM 940 C TYR A 70 -12.589 2.855 -1.104 1.00 0.33 C ATOM 941 O TYR A 70 -11.813 2.161 -0.451 1.00 0.34 O ATOM 942 CB TYR A 70 -12.139 3.031 -3.569 1.00 0.47 C ATOM 943 CG TYR A 70 -12.272 2.354 -4.920 1.00 0.60 C ATOM 944 CD1 TYR A 70 -13.378 2.580 -5.727 1.00 1.18 C ATOM 945 CD2 TYR A 70 -11.286 1.492 -5.386 1.00 1.05 C ATOM 946 CE1 TYR A 70 -13.504 1.966 -6.962 1.00 1.29 C ATOM 947 CE2 TYR A 70 -11.406 0.875 -6.620 1.00 1.16 C ATOM 948 CZ TYR A 70 -12.516 1.116 -7.404 1.00 0.94 C ATOM 949 OH TYR A 70 -12.643 0.502 -8.634 1.00 1.11 O ATOM 0 H TYR A 70 -14.546 3.671 -3.274 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.987 1.345 -2.575 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.370 4.091 -3.678 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -11.103 2.963 -3.238 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -14.155 3.247 -5.386 1.00 1.18 H new ATOM 0 HD2 TYR A 70 -10.415 1.301 -4.777 1.00 1.05 H new ATOM 0 HE1 TYR A 70 -14.373 2.153 -7.575 1.00 1.29 H new ATOM 0 HE2 TYR A 70 -10.632 0.207 -6.968 1.00 1.16 H new ATOM 0 HH TYR A 70 -11.861 -0.065 -8.799 1.00 1.11 H new ATOM 959 N ARG A 71 -13.120 3.990 -0.656 1.00 0.37 N ATOM 960 CA ARG A 71 -12.825 4.533 0.661 1.00 0.46 C ATOM 961 C ARG A 71 -13.404 3.620 1.737 1.00 0.52 C ATOM 962 O ARG A 71 -12.864 3.510 2.836 1.00 0.59 O ATOM 963 CB ARG A 71 -13.385 5.952 0.803 1.00 0.60 C ATOM 964 CG ARG A 71 -12.672 6.970 -0.061 1.00 0.81 C ATOM 965 CD ARG A 71 -12.404 8.248 0.711 1.00 0.97 C ATOM 966 NE ARG A 71 -13.539 9.175 0.664 1.00 1.39 N ATOM 967 CZ ARG A 71 -14.220 9.573 1.748 1.00 1.96 C ATOM 968 NH1 ARG A 71 -13.876 9.129 2.951 1.00 2.55 N ATOM 969 NH2 ARG A 71 -15.240 10.421 1.628 1.00 2.53 N ATOM 0 H ARG A 71 -13.769 4.558 -1.200 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.743 4.585 0.783 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.444 5.944 0.544 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -13.315 6.259 1.846 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -11.730 6.553 -0.418 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -13.276 7.192 -0.940 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -12.181 8.003 1.749 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -11.520 8.738 0.302 1.00 0.97 H new ATOM 0 HE ARG A 71 -13.827 9.538 -0.245 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -13.092 8.484 3.052 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -14.395 9.433 3.775 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -15.507 10.771 0.708 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -15.755 10.720 2.456 1.00 2.53 H new ATOM 983 N ARG A 72 -14.512 2.973 1.396 1.00 0.57 N ATOM 984 CA ARG A 72 -15.203 2.051 2.296 1.00 0.72 C ATOM 985 C ARG A 72 -14.262 1.026 2.896 1.00 0.68 C ATOM 986 O ARG A 72 -14.162 0.899 4.106 1.00 0.82 O ATOM 987 CB ARG A 72 -16.291 1.327 1.537 1.00 0.87 C ATOM 988 CG ARG A 72 -17.417 2.231 1.132 1.00 1.22 C ATOM 989 CD ARG A 72 -18.435 2.333 2.237 1.00 1.78 C ATOM 990 NE ARG A 72 -19.352 1.195 2.234 1.00 2.63 N ATOM 991 CZ ARG A 72 -20.676 1.314 2.221 1.00 3.47 C ATOM 992 NH1 ARG A 72 -21.232 2.523 2.199 1.00 3.77 N ATOM 993 NH2 ARG A 72 -21.448 0.222 2.205 1.00 4.38 N ATOM 0 H ARG A 72 -14.960 3.072 0.485 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.624 2.642 3.109 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -15.862 0.867 0.647 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.684 0.520 2.155 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -17.029 3.221 0.895 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -17.890 1.849 0.227 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -17.924 2.386 3.198 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -19.002 3.257 2.125 1.00 1.78 H new ATOM 0 HE ARG A 72 -18.953 0.256 2.242 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -20.643 3.355 2.192 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -22.248 2.617 2.189 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -21.021 -0.704 2.203 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -22.464 0.316 2.195 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.572 0.286 2.041 1.00 0.63 N ATOM 1008 CA ARG A 73 -12.642 -0.729 2.506 1.00 0.70 C ATOM 1009 C ARG A 73 -11.272 -0.116 2.716 1.00 0.53 C ATOM 1010 O ARG A 73 -10.347 -0.772 3.188 1.00 0.59 O ATOM 1011 CB ARG A 73 -12.561 -1.909 1.529 1.00 0.88 C ATOM 1012 CG ARG A 73 -11.880 -1.578 0.219 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.876 -1.065 -0.792 1.00 0.71 C ATOM 1014 NE ARG A 73 -13.073 -2.022 -1.887 1.00 1.08 N ATOM 1015 CZ ARG A 73 -14.205 -2.165 -2.580 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -15.266 -1.419 -2.301 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -14.260 -3.034 -3.589 1.00 1.44 N ATOM 0 H ARG A 73 -13.639 0.369 1.027 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.010 -1.117 3.456 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -12.025 -2.728 2.008 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -13.570 -2.266 1.322 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.107 -0.828 0.386 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -11.384 -2.466 -0.172 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -13.829 -0.873 -0.300 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -12.529 -0.114 -1.196 1.00 0.71 H new ATOM 0 HE ARG A 73 -12.287 -2.622 -2.137 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -15.221 -0.729 -1.551 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -16.126 -1.536 -2.836 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -13.438 -3.588 -3.830 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -15.124 -3.145 -4.120 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.155 1.162 2.386 1.00 0.36 N ATOM 1032 CA PHE A 74 -9.894 1.877 2.564 1.00 0.26 C ATOM 1033 C PHE A 74 -9.540 1.934 4.044 1.00 0.22 C ATOM 1034 O PHE A 74 -8.376 1.864 4.425 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.971 3.289 1.995 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.982 3.561 0.898 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.736 2.958 0.907 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.301 4.422 -0.138 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.826 3.206 -0.100 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.395 4.675 -1.147 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.154 4.066 -1.128 1.00 0.30 C ATOM 0 H PHE A 74 -11.911 1.725 1.996 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.118 1.337 2.021 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.977 3.461 1.614 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.809 4.004 2.802 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.473 2.286 1.711 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.269 4.901 -0.156 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.858 2.727 -0.084 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.655 5.348 -1.951 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.443 4.263 -1.916 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.575 2.056 4.869 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.428 2.119 6.320 1.00 0.30 C ATOM 1053 C LYS A 75 -9.786 0.853 6.884 1.00 0.28 C ATOM 1054 O LYS A 75 -9.169 0.884 7.947 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.796 2.339 6.966 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.815 1.245 6.666 1.00 0.37 C ATOM 1057 CD LYS A 75 -14.164 1.562 7.307 1.00 0.82 C ATOM 1058 CE LYS A 75 -14.816 2.795 6.691 1.00 1.28 C ATOM 1059 NZ LYS A 75 -16.235 2.950 7.116 1.00 1.72 N ATOM 0 H LYS A 75 -11.542 2.114 4.550 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.768 2.955 6.552 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.667 2.413 8.046 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -12.196 3.295 6.626 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -12.936 1.142 5.588 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.447 0.289 7.038 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -14.829 0.706 7.193 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -14.028 1.720 8.377 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -14.253 3.683 6.977 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -14.769 2.725 5.604 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -16.639 3.800 6.674 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -16.779 2.114 6.820 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -16.279 3.044 8.151 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.921 -0.258 6.166 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.340 -1.521 6.614 1.00 0.22 C ATOM 1075 C TYR A 76 -7.840 -1.552 6.330 1.00 0.20 C ATOM 1076 O TYR A 76 -7.130 -2.440 6.795 1.00 0.23 O ATOM 1077 CB TYR A 76 -10.009 -2.699 5.903 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.492 -2.825 6.167 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.960 -3.120 7.440 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.421 -2.643 5.153 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -13.312 -3.228 7.700 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.779 -2.745 5.407 1.00 0.61 C ATOM 1083 CZ TYR A 76 -14.225 -3.074 6.625 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.564 -3.134 6.938 1.00 0.99 O ATOM 0 H TYR A 76 -10.423 -0.311 5.279 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.505 -1.605 7.688 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.850 -2.598 4.829 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.517 -3.621 6.212 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -11.253 -3.268 8.243 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.081 -2.419 4.153 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -13.667 -3.426 8.701 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.486 -2.557 4.613 1.00 0.61 H new ATOM 0 HH TYR A 76 -16.096 -3.015 6.124 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.365 -0.565 5.581 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.952 -0.464 5.236 1.00 0.21 C ATOM 1096 C PHE A 77 -5.294 0.692 5.996 1.00 0.24 C ATOM 1097 O PHE A 77 -4.073 0.782 6.060 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.797 -0.192 3.735 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.724 -1.412 2.859 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.846 -2.444 3.136 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.523 -1.500 1.731 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.770 -3.546 2.307 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.448 -2.595 0.898 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.570 -3.621 1.186 1.00 0.24 C ATOM 0 H PHE A 77 -7.943 0.183 5.198 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.473 -1.406 5.505 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.637 0.420 3.406 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -4.893 0.398 3.582 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.213 -2.388 4.009 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -7.213 -0.701 1.502 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -4.085 -4.348 2.536 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -7.075 -2.651 0.021 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.510 -4.480 0.535 1.00 0.24 H new ATOM 1114 N LYS A 78 -6.121 1.590 6.527 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.648 2.780 7.239 1.00 0.34 C ATOM 1116 C LYS A 78 -4.588 2.481 8.313 1.00 0.37 C ATOM 1117 O LYS A 78 -3.677 3.288 8.530 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.833 3.509 7.871 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.936 4.967 7.463 1.00 0.68 C ATOM 1120 CD LYS A 78 -7.867 5.160 6.277 1.00 0.82 C ATOM 1121 CE LYS A 78 -7.753 6.565 5.716 1.00 0.98 C ATOM 1122 NZ LYS A 78 -8.815 7.467 6.232 1.00 1.37 N ATOM 0 H LYS A 78 -7.137 1.515 6.477 1.00 0.27 H new ATOM 0 HA LYS A 78 -5.161 3.410 6.495 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.754 2.997 7.594 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.749 3.449 8.956 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -7.296 5.555 8.307 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.945 5.344 7.211 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -7.626 4.434 5.500 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -8.896 4.970 6.583 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -6.776 6.976 5.969 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -7.810 6.525 4.628 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -9.381 7.828 5.437 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -9.431 6.941 6.884 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -8.378 8.265 6.736 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.690 1.342 8.984 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.718 1.001 10.017 1.00 0.46 C ATOM 1138 C ALA A 79 -2.371 0.637 9.407 1.00 0.41 C ATOM 1139 O ALA A 79 -1.317 0.954 9.963 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.229 -0.146 10.876 1.00 0.56 C ATOM 0 H ALA A 79 -5.423 0.648 8.837 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.582 1.880 10.647 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.490 -0.385 11.640 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.164 0.146 11.354 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.400 -1.022 10.250 1.00 0.56 H new ATOM 1146 N THR A 80 -2.416 -0.027 8.265 1.00 0.31 N ATOM 1147 CA THR A 80 -1.212 -0.442 7.575 1.00 0.30 C ATOM 1148 C THR A 80 -0.556 0.719 6.833 1.00 0.24 C ATOM 1149 O THR A 80 0.665 0.881 6.881 1.00 0.27 O ATOM 1150 CB THR A 80 -1.539 -1.572 6.587 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.821 -2.124 6.914 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.484 -2.670 6.636 1.00 0.46 C ATOM 0 H THR A 80 -3.282 -0.291 7.795 1.00 0.31 H new ATOM 0 HA THR A 80 -0.507 -0.800 8.325 1.00 0.30 H new ATOM 0 HB THR A 80 -1.551 -1.159 5.578 1.00 0.36 H new ATOM 0 HG1 THR A 80 -2.723 -3.076 7.124 1.00 0.53 H new ATOM 0 HG21 THR A 80 -0.743 -3.455 5.926 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.489 -2.252 6.376 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.442 -3.089 7.641 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.365 1.528 6.155 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.843 2.669 5.402 1.00 0.24 C ATOM 1162 C ILE A 81 -0.107 3.632 6.336 1.00 0.28 C ATOM 1163 O ILE A 81 0.885 4.250 5.951 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.962 3.439 4.655 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.847 2.483 3.857 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.369 4.491 3.721 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -4.197 3.074 3.499 1.00 0.55 C ATOM 0 H ILE A 81 -2.378 1.418 6.110 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.153 2.269 4.659 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.574 3.938 5.406 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.329 2.198 2.942 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.999 1.571 4.435 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.174 5.018 3.208 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.781 5.203 4.301 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.728 4.005 2.986 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.775 2.344 2.933 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.734 3.334 4.411 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -4.053 3.970 2.895 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.594 3.743 7.570 1.00 0.31 N ATOM 1180 CA ALA A 82 0.010 4.617 8.571 1.00 0.39 C ATOM 1181 C ALA A 82 1.301 4.007 9.123 1.00 0.41 C ATOM 1182 O ALA A 82 2.199 4.719 9.570 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.975 4.879 9.706 1.00 0.46 C ATOM 0 H ALA A 82 -1.413 3.233 7.902 1.00 0.31 H new ATOM 0 HA ALA A 82 0.258 5.564 8.091 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.512 5.532 10.446 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.870 5.358 9.308 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.248 3.934 10.176 1.00 0.46 H new ATOM 1189 N ASP A 83 1.381 2.682 9.092 1.00 0.37 N ATOM 1190 CA ASP A 83 2.551 1.967 9.599 1.00 0.42 C ATOM 1191 C ASP A 83 3.664 1.921 8.562 1.00 0.39 C ATOM 1192 O ASP A 83 4.824 2.191 8.875 1.00 0.46 O ATOM 1193 CB ASP A 83 2.163 0.540 9.988 1.00 0.47 C ATOM 1194 CG ASP A 83 3.001 0.000 11.130 1.00 0.80 C ATOM 1195 OD1 ASP A 83 2.779 0.423 12.282 1.00 1.37 O ATOM 1196 OD2 ASP A 83 3.887 -0.844 10.879 1.00 1.40 O ATOM 0 H ASP A 83 0.648 2.078 8.720 1.00 0.37 H new ATOM 0 HA ASP A 83 2.916 2.504 10.475 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.111 0.518 10.272 1.00 0.47 H new ATOM 0 HB3 ASP A 83 2.273 -0.112 9.121 1.00 0.47 H new ATOM 1201 N LEU A 84 3.303 1.574 7.335 1.00 0.32 N ATOM 1202 CA LEU A 84 4.259 1.467 6.240 1.00 0.31 C ATOM 1203 C LEU A 84 4.936 2.804 5.937 1.00 0.35 C ATOM 1204 O LEU A 84 6.070 2.834 5.469 1.00 0.42 O ATOM 1205 CB LEU A 84 3.562 0.944 4.983 1.00 0.29 C ATOM 1206 CG LEU A 84 2.925 -0.431 5.127 1.00 0.36 C ATOM 1207 CD1 LEU A 84 1.772 -0.582 4.150 1.00 0.40 C ATOM 1208 CD2 LEU A 84 3.960 -1.514 4.901 1.00 0.48 C ATOM 0 H LEU A 84 2.342 1.359 7.070 1.00 0.32 H new ATOM 0 HA LEU A 84 5.033 0.766 6.551 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.791 1.656 4.690 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.288 0.908 4.171 1.00 0.29 H new ATOM 0 HG LEU A 84 2.534 -0.533 6.139 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.326 -1.570 4.264 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.021 0.181 4.353 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.141 -0.466 3.131 1.00 0.40 H new ATOM 0 HD21 LEU A 84 3.492 -2.493 5.007 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.375 -1.417 3.898 1.00 0.48 H new ATOM 0 HD23 LEU A 84 4.759 -1.413 5.636 1.00 0.48 H new ATOM 1220 N SER A 85 4.248 3.910 6.206 1.00 0.37 N ATOM 1221 CA SER A 85 4.809 5.227 5.949 1.00 0.50 C ATOM 1222 C SER A 85 5.953 5.544 6.911 1.00 0.61 C ATOM 1223 O SER A 85 6.857 6.310 6.584 1.00 0.73 O ATOM 1224 CB SER A 85 3.715 6.288 6.064 1.00 0.57 C ATOM 1225 OG SER A 85 2.668 5.841 6.905 1.00 1.37 O ATOM 0 H SER A 85 3.307 3.918 6.599 1.00 0.37 H new ATOM 0 HA SER A 85 5.214 5.231 4.937 1.00 0.50 H new ATOM 0 HB2 SER A 85 4.138 7.211 6.461 1.00 0.57 H new ATOM 0 HB3 SER A 85 3.320 6.518 5.075 1.00 0.57 H new ATOM 0 HG SER A 85 1.926 5.511 6.356 1.00 1.37 H new ATOM 1231 N LYS A 86 5.914 4.952 8.096 1.00 0.60 N ATOM 1232 CA LYS A 86 6.948 5.186 9.099 1.00 0.74 C ATOM 1233 C LYS A 86 8.069 4.163 8.977 1.00 0.78 C ATOM 1234 O LYS A 86 9.069 4.230 9.697 1.00 0.98 O ATOM 1235 CB LYS A 86 6.359 5.146 10.505 1.00 0.75 C ATOM 1236 CG LYS A 86 6.518 6.457 11.261 1.00 1.29 C ATOM 1237 CD LYS A 86 5.249 6.831 11.996 1.00 1.79 C ATOM 1238 CE LYS A 86 4.226 7.434 11.050 1.00 2.34 C ATOM 1239 NZ LYS A 86 2.885 6.822 11.242 1.00 3.07 N ATOM 0 H LYS A 86 5.180 4.307 8.388 1.00 0.60 H new ATOM 0 HA LYS A 86 7.362 6.178 8.920 1.00 0.74 H new ATOM 0 HB2 LYS A 86 5.300 4.898 10.441 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.840 4.348 11.070 1.00 0.75 H new ATOM 0 HG2 LYS A 86 7.340 6.371 11.972 1.00 1.29 H new ATOM 0 HG3 LYS A 86 6.783 7.251 10.563 1.00 1.29 H new ATOM 0 HD2 LYS A 86 4.829 5.947 12.475 1.00 1.79 H new ATOM 0 HD3 LYS A 86 5.480 7.543 12.788 1.00 1.79 H new ATOM 0 HE2 LYS A 86 4.164 8.510 11.216 1.00 2.34 H new ATOM 0 HE3 LYS A 86 4.550 7.288 10.020 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 2.163 7.421 10.793 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 2.869 5.877 10.808 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 2.683 6.740 12.259 1.00 3.07 H new ATOM 1253 N LYS A 87 7.899 3.220 8.067 1.00 0.75 N ATOM 1254 CA LYS A 87 8.897 2.186 7.848 1.00 0.86 C ATOM 1255 C LYS A 87 9.586 2.379 6.500 1.00 0.93 C ATOM 1256 O LYS A 87 10.755 2.038 6.334 1.00 1.11 O ATOM 1257 CB LYS A 87 8.240 0.807 7.913 1.00 0.91 C ATOM 1258 CG LYS A 87 7.329 0.631 9.122 1.00 1.01 C ATOM 1259 CD LYS A 87 8.025 -0.084 10.267 1.00 1.35 C ATOM 1260 CE LYS A 87 8.551 0.901 11.296 1.00 2.18 C ATOM 1261 NZ LYS A 87 9.850 0.458 11.864 1.00 2.78 N ATOM 0 H LYS A 87 7.078 3.148 7.466 1.00 0.75 H new ATOM 0 HA LYS A 87 9.652 2.259 8.631 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.661 0.644 7.004 1.00 0.91 H new ATOM 0 HB3 LYS A 87 9.017 0.043 7.937 1.00 0.91 H new ATOM 0 HG2 LYS A 87 6.986 1.608 9.461 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.444 0.067 8.828 1.00 1.01 H new ATOM 0 HD2 LYS A 87 7.329 -0.774 10.744 1.00 1.35 H new ATOM 0 HD3 LYS A 87 8.850 -0.681 9.878 1.00 1.35 H new ATOM 0 HE2 LYS A 87 8.671 1.881 10.834 1.00 2.18 H new ATOM 0 HE3 LYS A 87 7.822 1.014 12.098 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 10.179 1.155 12.563 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 9.730 -0.466 12.326 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 10.552 0.375 11.101 1.00 2.78 H new