USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 715 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 90 GLN : amide:sc= -0.142! K(o=1.1!,f=-1.1) USER MOD Set 1.2: A 92 TYR OH : rot -55:sc= 1.29 USER MOD Set 2.1: A 62 ASN : amide:sc= 0.103 K(o=0.24,f=-0.48) USER MOD Set 2.2: A 63 LYS NZ :NH3+ 168:sc= 0.132 (180deg=0) USER MOD Set 3.1: A 25 LYS NZ :NH3+ -158:sc= 0.164 (180deg=-0.0986) USER MOD Set 3.2: A 27 SER OG : rot -8:sc= 1.27 USER MOD Single : A 1 ALA N :NH3+ -107:sc= 0.0585 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 158:sc= 1.24 USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= -2.18! (180deg=-2.27!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.7! USER MOD Single : A 16 THR OG1 : rot -98:sc= 0.0678 USER MOD Single : A 17 GLN : amide:sc= -0.67 X(o=-0.67,f=-0.69) USER MOD Single : A 20 ASN : amide:sc=-0.00768 X(o=-0.0077,f=-0.22) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.14) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 90:sc= 0.0669 USER MOD Single : A 29 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.014) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 176:sc= -0.546 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 31:sc= 0.122 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -1:sc= 0.428 USER MOD Single : A 59 MET CE :methyl -178:sc= 0 (180deg=-0.00115) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -0.0288 (180deg=-0.257) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.36) USER MOD Single : A 91 THR OG1 : rot -150:sc= -0.705 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -3.22! USER MOD Single : A 100 LYS NZ :NH3+ -163:sc= -0.0153 (180deg=-0.216) USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.22) USER MOD Single : A 105 LYS NZ :NH3+ -165:sc= 0.638 (180deg=0.274) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.949 -13.692 5.137 1.00 0.00 N ATOM 2 CA ALA A 1 8.619 -13.164 5.508 1.00 0.00 C ATOM 3 C ALA A 1 8.762 -11.823 6.212 1.00 0.00 C ATOM 4 O ALA A 1 9.772 -11.569 6.869 1.00 0.00 O ATOM 5 CB ALA A 1 7.879 -14.158 6.393 1.00 0.00 C ATOM 0 H1 ALA A 1 10.082 -13.608 4.109 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.688 -13.148 5.627 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.015 -14.692 5.414 1.00 0.00 H new ATOM 0 HA ALA A 1 8.037 -13.017 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.902 -13.753 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.750 -15.097 5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.455 -14.336 7.301 1.00 0.00 H new ATOM 13 N PHE A 2 7.779 -10.950 6.023 1.00 0.00 N ATOM 14 CA PHE A 2 7.814 -9.616 6.608 1.00 0.00 C ATOM 15 C PHE A 2 7.563 -9.662 8.117 1.00 0.00 C ATOM 16 O PHE A 2 8.439 -10.070 8.881 1.00 0.00 O ATOM 17 CB PHE A 2 6.799 -8.686 5.927 1.00 0.00 C ATOM 18 CG PHE A 2 7.211 -8.211 4.560 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.392 -9.103 3.514 1.00 0.00 C ATOM 20 CD2 PHE A 2 7.415 -6.861 4.324 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.769 -8.657 2.261 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.790 -6.409 3.075 1.00 0.00 C ATOM 23 CZ PHE A 2 7.968 -7.307 2.041 1.00 0.00 C ATOM 0 H PHE A 2 6.946 -11.144 5.467 1.00 0.00 H new ATOM 0 HA PHE A 2 8.814 -9.215 6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.845 -9.207 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 2 6.634 -7.818 6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.237 -10.159 3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.279 -6.153 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.908 -9.362 1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.944 -5.353 2.906 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.262 -6.955 1.063 1.00 0.00 H new ATOM 32 N ASP A 3 6.412 -9.135 8.539 1.00 0.00 N ATOM 33 CA ASP A 3 6.094 -8.972 9.959 1.00 0.00 C ATOM 34 C ASP A 3 7.124 -8.054 10.606 1.00 0.00 C ATOM 35 O ASP A 3 7.866 -8.455 11.500 1.00 0.00 O ATOM 36 CB ASP A 3 6.034 -10.318 10.686 1.00 0.00 C ATOM 37 CG ASP A 3 5.444 -10.199 12.080 1.00 0.00 C ATOM 38 OD1 ASP A 3 4.900 -9.123 12.419 1.00 0.00 O ATOM 39 OD2 ASP A 3 5.496 -11.195 12.832 1.00 0.00 O ATOM 0 H ASP A 3 5.678 -8.811 7.910 1.00 0.00 H new ATOM 0 HA ASP A 3 5.104 -8.522 10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.437 -11.017 10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.038 -10.736 10.754 1.00 0.00 H new ATOM 43 N GLY A 4 7.252 -6.865 10.046 1.00 0.00 N ATOM 44 CA GLY A 4 8.285 -5.952 10.467 1.00 0.00 C ATOM 45 C GLY A 4 7.989 -4.539 10.037 1.00 0.00 C ATOM 46 O GLY A 4 7.075 -4.303 9.240 1.00 0.00 O ATOM 0 H GLY A 4 6.652 -6.514 9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.383 -5.989 11.552 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.241 -6.267 10.049 1.00 0.00 H new ATOM 50 N THR A 5 8.732 -3.597 10.588 1.00 0.00 N ATOM 51 CA THR A 5 8.529 -2.195 10.288 1.00 0.00 C ATOM 52 C THR A 5 9.565 -1.706 9.280 1.00 0.00 C ATOM 53 O THR A 5 10.763 -1.951 9.428 1.00 0.00 O ATOM 54 CB THR A 5 8.615 -1.341 11.569 1.00 0.00 C ATOM 55 OG1 THR A 5 9.753 -1.741 12.352 1.00 0.00 O ATOM 56 CG2 THR A 5 7.353 -1.483 12.403 1.00 0.00 C ATOM 0 H THR A 5 9.486 -3.781 11.250 1.00 0.00 H new ATOM 0 HA THR A 5 7.533 -2.088 9.858 1.00 0.00 H new ATOM 0 HB THR A 5 8.722 -0.297 11.273 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.010 -1.010 12.952 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.439 -0.871 13.301 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.493 -1.153 11.820 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.220 -2.527 12.687 1.00 0.00 H new ATOM 64 N TRP A 6 9.084 -1.079 8.221 1.00 0.00 N ATOM 65 CA TRP A 6 9.943 -0.584 7.151 1.00 0.00 C ATOM 66 C TRP A 6 9.628 0.886 6.909 1.00 0.00 C ATOM 67 O TRP A 6 8.590 1.199 6.329 1.00 0.00 O ATOM 68 CB TRP A 6 9.692 -1.365 5.845 1.00 0.00 C ATOM 69 CG TRP A 6 10.037 -2.835 5.877 1.00 0.00 C ATOM 70 CD1 TRP A 6 9.972 -3.690 6.940 1.00 0.00 C ATOM 71 CD2 TRP A 6 10.465 -3.630 4.762 1.00 0.00 C ATOM 72 NE1 TRP A 6 10.363 -4.950 6.564 1.00 0.00 N ATOM 73 CE2 TRP A 6 10.663 -4.941 5.231 1.00 0.00 C ATOM 74 CE3 TRP A 6 10.704 -3.355 3.415 1.00 0.00 C ATOM 75 CZ2 TRP A 6 11.093 -5.974 4.401 1.00 0.00 C ATOM 76 CZ3 TRP A 6 11.127 -4.381 2.590 1.00 0.00 C ATOM 77 CH2 TRP A 6 11.317 -5.676 3.086 1.00 0.00 C ATOM 0 H TRP A 6 8.091 -0.897 8.075 1.00 0.00 H new ATOM 0 HA TRP A 6 10.984 -0.714 7.447 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.639 -1.265 5.581 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.267 -0.894 5.047 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.657 -3.413 7.935 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.420 -5.761 7.179 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.561 -2.359 3.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.244 -6.973 4.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.314 -4.180 1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.647 -6.456 2.416 1.00 0.00 H new ATOM 87 N LYS A 7 10.478 1.796 7.375 1.00 0.00 N ATOM 88 CA LYS A 7 10.172 3.211 7.229 1.00 0.00 C ATOM 89 C LYS A 7 11.359 4.125 7.498 1.00 0.00 C ATOM 90 O LYS A 7 12.324 3.752 8.166 1.00 0.00 O ATOM 91 CB LYS A 7 9.040 3.596 8.172 1.00 0.00 C ATOM 92 CG LYS A 7 8.187 4.734 7.657 1.00 0.00 C ATOM 93 CD LYS A 7 7.310 4.280 6.517 1.00 0.00 C ATOM 94 CE LYS A 7 6.152 5.230 6.311 1.00 0.00 C ATOM 95 NZ LYS A 7 5.127 4.659 5.411 1.00 0.00 N ATOM 0 H LYS A 7 11.359 1.586 7.844 1.00 0.00 H new ATOM 0 HA LYS A 7 9.885 3.350 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.407 2.725 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.461 3.876 9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.567 5.123 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.827 5.551 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.900 4.217 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.931 3.279 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.699 5.466 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.520 6.167 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.311 5.302 5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.530 4.536 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.818 3.736 5.778 1.00 0.00 H new ATOM 105 N VAL A 8 11.166 5.380 7.103 1.00 0.00 N ATOM 106 CA VAL A 8 12.067 6.469 7.435 1.00 0.00 C ATOM 107 C VAL A 8 11.427 7.304 8.549 1.00 0.00 C ATOM 108 O VAL A 8 10.201 7.410 8.606 1.00 0.00 O ATOM 109 CB VAL A 8 12.324 7.371 6.204 1.00 0.00 C ATOM 110 CG1 VAL A 8 13.374 8.431 6.506 1.00 0.00 C ATOM 111 CG2 VAL A 8 12.736 6.536 5.001 1.00 0.00 C ATOM 0 H VAL A 8 10.368 5.669 6.536 1.00 0.00 H new ATOM 0 HA VAL A 8 13.022 6.056 7.760 1.00 0.00 H new ATOM 0 HB VAL A 8 11.391 7.882 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.532 9.049 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.032 9.058 7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.311 7.947 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.912 7.190 4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.650 5.989 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.942 5.829 4.759 1.00 0.00 H new ATOM 121 N GLY A 9 12.241 7.786 9.486 1.00 0.00 N ATOM 122 CA GLY A 9 11.730 8.505 10.649 1.00 0.00 C ATOM 123 C GLY A 9 10.772 9.635 10.297 1.00 0.00 C ATOM 124 O GLY A 9 10.952 10.319 9.288 1.00 0.00 O ATOM 0 H GLY A 9 13.256 7.691 9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.221 7.800 11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.570 8.914 11.210 1.00 0.00 H new ATOM 128 N GLY A 10 9.729 9.798 11.108 1.00 0.00 N ATOM 129 CA GLY A 10 8.717 10.807 10.843 1.00 0.00 C ATOM 130 C GLY A 10 7.378 10.173 10.528 1.00 0.00 C ATOM 131 O GLY A 10 6.322 10.670 10.924 1.00 0.00 O ATOM 0 H GLY A 10 9.566 9.245 11.949 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.617 11.462 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.032 11.431 10.007 1.00 0.00 H new ATOM 135 N LEU A 11 7.451 9.029 9.879 1.00 0.00 N ATOM 136 CA LEU A 11 6.292 8.221 9.547 1.00 0.00 C ATOM 137 C LEU A 11 6.670 6.768 9.806 1.00 0.00 C ATOM 138 O LEU A 11 7.844 6.481 10.027 1.00 0.00 O ATOM 139 CB LEU A 11 5.854 8.438 8.079 1.00 0.00 C ATOM 140 CG LEU A 11 6.971 8.613 7.027 1.00 0.00 C ATOM 141 CD1 LEU A 11 6.402 8.429 5.630 1.00 0.00 C ATOM 142 CD2 LEU A 11 7.622 9.990 7.119 1.00 0.00 C ATOM 0 H LEU A 11 8.333 8.626 9.561 1.00 0.00 H new ATOM 0 HA LEU A 11 5.439 8.508 10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.239 7.589 7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.216 9.321 8.044 1.00 0.00 H new ATOM 0 HG LEU A 11 7.730 7.857 7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.196 8.554 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.977 7.429 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.624 9.171 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.403 10.075 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.869 10.760 6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.060 10.120 8.109 1.00 0.00 H new ATOM 153 N LYS A 12 5.704 5.864 9.874 1.00 0.00 N ATOM 154 CA LYS A 12 6.018 4.469 10.185 1.00 0.00 C ATOM 155 C LYS A 12 5.183 3.515 9.344 1.00 0.00 C ATOM 156 O LYS A 12 4.112 3.879 8.858 1.00 0.00 O ATOM 157 CB LYS A 12 5.846 4.182 11.680 1.00 0.00 C ATOM 158 CG LYS A 12 4.428 4.345 12.199 1.00 0.00 C ATOM 159 CD LYS A 12 4.381 4.220 13.716 1.00 0.00 C ATOM 160 CE LYS A 12 4.974 2.901 14.191 1.00 0.00 C ATOM 161 NZ LYS A 12 4.930 2.773 15.671 1.00 0.00 N ATOM 0 H LYS A 12 4.715 6.060 9.722 1.00 0.00 H new ATOM 0 HA LYS A 12 7.065 4.303 9.933 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.177 3.163 11.881 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.502 4.847 12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.037 5.317 11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.784 3.590 11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.928 5.048 14.166 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.348 4.298 14.056 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.427 2.074 13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.007 2.824 13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.343 1.861 15.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.473 3.548 16.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.943 2.820 15.994 1.00 0.00 H new ATOM 171 N LEU A 13 5.742 2.341 9.080 1.00 0.00 N ATOM 172 CA LEU A 13 5.102 1.357 8.222 1.00 0.00 C ATOM 173 C LEU A 13 5.363 -0.041 8.760 1.00 0.00 C ATOM 174 O LEU A 13 6.484 -0.376 9.125 1.00 0.00 O ATOM 175 CB LEU A 13 5.628 1.476 6.786 1.00 0.00 C ATOM 176 CG LEU A 13 4.617 1.191 5.667 1.00 0.00 C ATOM 177 CD1 LEU A 13 5.227 1.515 4.313 1.00 0.00 C ATOM 178 CD2 LEU A 13 4.157 -0.257 5.695 1.00 0.00 C ATOM 0 H LEU A 13 6.645 2.047 9.452 1.00 0.00 H new ATOM 0 HA LEU A 13 4.028 1.543 8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.018 2.484 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.468 0.791 6.671 1.00 0.00 H new ATOM 0 HG LEU A 13 3.747 1.827 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.500 1.309 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.505 2.568 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.114 0.901 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.442 -0.427 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.016 -0.914 5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.683 -0.470 6.653 1.00 0.00 H new ATOM 189 N THR A 14 4.317 -0.835 8.829 1.00 0.00 N ATOM 190 CA THR A 14 4.412 -2.189 9.333 1.00 0.00 C ATOM 191 C THR A 14 3.623 -3.130 8.434 1.00 0.00 C ATOM 192 O THR A 14 2.476 -2.851 8.094 1.00 0.00 O ATOM 193 CB THR A 14 3.863 -2.275 10.769 1.00 0.00 C ATOM 194 OG1 THR A 14 4.389 -1.194 11.549 1.00 0.00 O ATOM 195 CG2 THR A 14 4.221 -3.605 11.421 1.00 0.00 C ATOM 0 H THR A 14 3.378 -0.562 8.538 1.00 0.00 H new ATOM 0 HA THR A 14 5.462 -2.480 9.340 1.00 0.00 H new ATOM 0 HB THR A 14 2.776 -2.204 10.724 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.038 -1.249 12.462 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.819 -3.634 12.434 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.796 -4.422 10.838 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.305 -3.712 11.458 1.00 0.00 H new ATOM 203 N ILE A 15 4.247 -4.217 8.024 1.00 0.00 N ATOM 204 CA ILE A 15 3.590 -5.190 7.167 1.00 0.00 C ATOM 205 C ILE A 15 3.649 -6.560 7.816 1.00 0.00 C ATOM 206 O ILE A 15 4.724 -7.018 8.193 1.00 0.00 O ATOM 207 CB ILE A 15 4.251 -5.262 5.775 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.287 -3.876 5.125 1.00 0.00 C ATOM 209 CG2 ILE A 15 3.508 -6.248 4.882 1.00 0.00 C ATOM 210 CD1 ILE A 15 4.972 -3.850 3.775 1.00 0.00 C ATOM 0 H ILE A 15 5.209 -4.451 8.270 1.00 0.00 H new ATOM 0 HA ILE A 15 2.555 -4.874 7.037 1.00 0.00 H new ATOM 0 HB ILE A 15 5.276 -5.612 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.266 -3.512 5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.798 -3.184 5.795 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.988 -6.286 3.904 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.531 -7.239 5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.473 -5.926 4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.957 -2.835 3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.004 -4.182 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.448 -4.515 3.088 1.00 0.00 H new ATOM 221 N THR A 16 2.502 -7.192 7.977 1.00 0.00 N ATOM 222 CA THR A 16 2.434 -8.487 8.631 1.00 0.00 C ATOM 223 C THR A 16 1.517 -9.423 7.855 1.00 0.00 C ATOM 224 O THR A 16 0.552 -8.976 7.229 1.00 0.00 O ATOM 225 CB THR A 16 1.930 -8.345 10.085 1.00 0.00 C ATOM 226 OG1 THR A 16 2.727 -7.377 10.781 1.00 0.00 O ATOM 227 CG2 THR A 16 1.982 -9.674 10.828 1.00 0.00 C ATOM 0 H THR A 16 1.602 -6.829 7.663 1.00 0.00 H new ATOM 0 HA THR A 16 3.439 -8.908 8.653 1.00 0.00 H new ATOM 0 HB THR A 16 0.891 -8.017 10.049 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.415 -7.837 11.307 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.620 -9.536 11.847 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.353 -10.402 10.316 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.010 -10.036 10.854 1.00 0.00 H new ATOM 235 N GLN A 17 1.841 -10.710 7.871 1.00 0.00 N ATOM 236 CA GLN A 17 1.056 -11.703 7.161 1.00 0.00 C ATOM 237 C GLN A 17 0.710 -12.882 8.056 1.00 0.00 C ATOM 238 O GLN A 17 1.303 -13.072 9.120 1.00 0.00 O ATOM 239 CB GLN A 17 1.791 -12.190 5.905 1.00 0.00 C ATOM 240 CG GLN A 17 3.279 -12.473 6.107 1.00 0.00 C ATOM 241 CD GLN A 17 3.555 -13.675 6.987 1.00 0.00 C ATOM 242 OE1 GLN A 17 3.043 -14.767 6.745 1.00 0.00 O ATOM 243 NE2 GLN A 17 4.391 -13.493 7.998 1.00 0.00 N ATOM 0 H GLN A 17 2.646 -11.088 8.371 1.00 0.00 H new ATOM 0 HA GLN A 17 0.126 -11.223 6.856 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.307 -13.099 5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.680 -11.440 5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.745 -12.631 5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.751 -11.595 6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.795 -12.572 8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.631 -14.274 8.608 1.00 0.00 H new ATOM 250 N GLU A 18 -0.243 -13.669 7.597 1.00 0.00 N ATOM 251 CA GLU A 18 -0.698 -14.855 8.302 1.00 0.00 C ATOM 252 C GLU A 18 -1.116 -15.909 7.282 1.00 0.00 C ATOM 253 O GLU A 18 -2.268 -15.949 6.846 1.00 0.00 O ATOM 254 CB GLU A 18 -1.853 -14.492 9.241 1.00 0.00 C ATOM 255 CG GLU A 18 -2.892 -13.576 8.610 1.00 0.00 C ATOM 256 CD GLU A 18 -3.953 -13.128 9.591 1.00 0.00 C ATOM 257 OE1 GLU A 18 -3.612 -12.422 10.563 1.00 0.00 O ATOM 258 OE2 GLU A 18 -5.135 -13.477 9.392 1.00 0.00 O ATOM 0 H GLU A 18 -0.729 -13.503 6.716 1.00 0.00 H new ATOM 0 HA GLU A 18 0.108 -15.263 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.342 -15.408 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.448 -14.009 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.393 -12.700 8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.369 -14.094 7.778 1.00 0.00 H new ATOM 263 N GLY A 19 -0.116 -16.570 6.717 1.00 0.00 N ATOM 264 CA GLY A 19 -0.348 -17.388 5.547 1.00 0.00 C ATOM 265 C GLY A 19 -0.241 -16.534 4.306 1.00 0.00 C ATOM 266 O GLY A 19 0.813 -15.949 4.058 1.00 0.00 O ATOM 0 H GLY A 19 0.849 -16.554 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.379 -18.199 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.335 -17.847 5.601 1.00 0.00 H new ATOM 270 N ASN A 20 -1.384 -16.195 3.737 1.00 0.00 N ATOM 271 CA ASN A 20 -1.426 -15.118 2.766 1.00 0.00 C ATOM 272 C ASN A 20 -2.565 -14.181 3.120 1.00 0.00 C ATOM 273 O ASN A 20 -3.700 -14.349 2.675 1.00 0.00 O ATOM 274 CB ASN A 20 -1.610 -15.642 1.337 1.00 0.00 C ATOM 275 CG ASN A 20 -0.388 -16.364 0.804 1.00 0.00 C ATOM 276 OD1 ASN A 20 0.732 -15.862 0.886 1.00 0.00 O ATOM 277 ND2 ASN A 20 -0.597 -17.536 0.232 1.00 0.00 N ATOM 0 H ASN A 20 -2.281 -16.642 3.926 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.473 -14.590 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.464 -16.319 1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.847 -14.807 0.678 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.186 -18.058 -0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.541 -17.919 0.184 1.00 0.00 H new ATOM 283 N LYS A 21 -2.201 -13.130 3.822 1.00 0.00 N ATOM 284 CA LYS A 21 -3.101 -12.055 4.188 1.00 0.00 C ATOM 285 C LYS A 21 -2.246 -10.940 4.747 1.00 0.00 C ATOM 286 O LYS A 21 -1.620 -11.117 5.789 1.00 0.00 O ATOM 287 CB LYS A 21 -4.128 -12.506 5.238 1.00 0.00 C ATOM 288 CG LYS A 21 -5.173 -11.443 5.551 1.00 0.00 C ATOM 289 CD LYS A 21 -6.062 -11.817 6.734 1.00 0.00 C ATOM 290 CE LYS A 21 -6.881 -13.076 6.477 1.00 0.00 C ATOM 291 NZ LYS A 21 -6.244 -14.292 7.055 1.00 0.00 N ATOM 0 H LYS A 21 -1.249 -12.995 4.163 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.666 -11.730 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.630 -13.406 4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.605 -12.774 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.672 -10.499 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.796 -11.282 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.441 -11.966 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.735 -10.989 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.877 -12.953 6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.009 -13.211 5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.869 -15.111 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.334 -14.465 6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.084 -14.149 8.073 1.00 0.00 H new ATOM 301 N PHE A 22 -2.075 -9.878 3.995 1.00 0.00 N ATOM 302 CA PHE A 22 -1.143 -8.846 4.398 1.00 0.00 C ATOM 303 C PHE A 22 -1.874 -7.600 4.854 1.00 0.00 C ATOM 304 O PHE A 22 -2.712 -7.057 4.138 1.00 0.00 O ATOM 305 CB PHE A 22 -0.175 -8.506 3.259 1.00 0.00 C ATOM 306 CG PHE A 22 0.855 -9.570 2.981 1.00 0.00 C ATOM 307 CD1 PHE A 22 0.479 -10.850 2.602 1.00 0.00 C ATOM 308 CD2 PHE A 22 2.204 -9.282 3.096 1.00 0.00 C ATOM 309 CE1 PHE A 22 1.429 -11.821 2.346 1.00 0.00 C ATOM 310 CE2 PHE A 22 3.159 -10.248 2.843 1.00 0.00 C ATOM 311 CZ PHE A 22 2.771 -11.519 2.467 1.00 0.00 C ATOM 0 H PHE A 22 -2.559 -9.705 3.114 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.566 -9.233 5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.750 -8.328 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.338 -7.575 3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.569 -11.091 2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.514 -8.289 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.122 -12.814 2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.208 -10.009 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.516 -12.275 2.268 1.00 0.00 H new ATOM 320 N THR A 23 -1.485 -7.102 6.009 1.00 0.00 N ATOM 321 CA THR A 23 -1.994 -5.840 6.484 1.00 0.00 C ATOM 322 C THR A 23 -0.850 -4.837 6.512 1.00 0.00 C ATOM 323 O THR A 23 0.304 -5.207 6.751 1.00 0.00 O ATOM 324 CB THR A 23 -2.660 -5.958 7.875 1.00 0.00 C ATOM 325 OG1 THR A 23 -3.497 -4.817 8.116 1.00 0.00 O ATOM 326 CG2 THR A 23 -1.625 -6.068 8.986 1.00 0.00 C ATOM 0 H THR A 23 -0.818 -7.555 6.634 1.00 0.00 H new ATOM 0 HA THR A 23 -2.775 -5.501 5.803 1.00 0.00 H new ATOM 0 HB THR A 23 -3.260 -6.868 7.877 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.917 -4.900 8.998 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.131 -6.149 9.948 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.010 -6.953 8.824 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.992 -5.181 8.983 1.00 0.00 H new ATOM 334 N VAL A 24 -1.143 -3.616 6.115 1.00 0.00 N ATOM 335 CA VAL A 24 -0.125 -2.603 5.965 1.00 0.00 C ATOM 336 C VAL A 24 -0.440 -1.417 6.851 1.00 0.00 C ATOM 337 O VAL A 24 -1.542 -0.871 6.806 1.00 0.00 O ATOM 338 CB VAL A 24 -0.011 -2.139 4.493 1.00 0.00 C ATOM 339 CG1 VAL A 24 0.893 -0.922 4.368 1.00 0.00 C ATOM 340 CG2 VAL A 24 0.503 -3.270 3.615 1.00 0.00 C ATOM 0 H VAL A 24 -2.087 -3.302 5.889 1.00 0.00 H new ATOM 0 HA VAL A 24 0.829 -3.037 6.263 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.008 -1.857 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.953 -0.620 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.484 -0.103 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.890 -1.170 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.577 -2.925 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.487 -3.583 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.186 -4.113 3.667 1.00 0.00 H new ATOM 350 N LYS A 25 0.531 -1.026 7.646 1.00 0.00 N ATOM 351 CA LYS A 25 0.381 0.115 8.517 1.00 0.00 C ATOM 352 C LYS A 25 1.119 1.293 7.919 1.00 0.00 C ATOM 353 O LYS A 25 2.331 1.399 8.041 1.00 0.00 O ATOM 354 CB LYS A 25 0.945 -0.193 9.905 1.00 0.00 C ATOM 355 CG LYS A 25 0.626 0.870 10.940 1.00 0.00 C ATOM 356 CD LYS A 25 1.775 1.070 11.914 1.00 0.00 C ATOM 357 CE LYS A 25 1.357 1.943 13.086 1.00 0.00 C ATOM 358 NZ LYS A 25 0.854 3.272 12.643 1.00 0.00 N ATOM 0 H LYS A 25 1.439 -1.486 7.706 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.678 0.351 8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.549 -1.150 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.027 -0.304 9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.407 1.812 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.271 0.585 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.116 0.102 12.282 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.617 1.530 11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.581 1.434 13.658 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.206 2.082 13.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.932 3.952 13.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.420 3.606 11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.142 3.188 12.356 1.00 0.00 H new ATOM 368 N GLU A 26 0.369 2.209 7.357 1.00 0.00 N ATOM 369 CA GLU A 26 0.926 3.443 6.847 1.00 0.00 C ATOM 370 C GLU A 26 0.605 4.546 7.833 1.00 0.00 C ATOM 371 O GLU A 26 -0.169 4.339 8.764 1.00 0.00 O ATOM 372 CB GLU A 26 0.350 3.773 5.467 1.00 0.00 C ATOM 373 CG GLU A 26 1.322 3.578 4.317 1.00 0.00 C ATOM 374 CD GLU A 26 2.450 4.589 4.325 1.00 0.00 C ATOM 375 OE1 GLU A 26 2.602 5.330 5.321 1.00 0.00 O ATOM 376 OE2 GLU A 26 3.219 4.636 3.344 1.00 0.00 O ATOM 0 H GLU A 26 -0.641 2.123 7.239 1.00 0.00 H new ATOM 0 HA GLU A 26 2.005 3.342 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.527 3.149 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.010 4.809 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.741 2.573 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.781 3.651 3.374 1.00 0.00 H new ATOM 381 N SER A 27 1.242 5.683 7.697 1.00 0.00 N ATOM 382 CA SER A 27 1.008 6.769 8.623 1.00 0.00 C ATOM 383 C SER A 27 1.363 8.108 7.996 1.00 0.00 C ATOM 384 O SER A 27 2.531 8.400 7.750 1.00 0.00 O ATOM 385 CB SER A 27 1.809 6.555 9.913 1.00 0.00 C ATOM 386 OG SER A 27 1.338 5.424 10.636 1.00 0.00 O ATOM 0 H SER A 27 1.921 5.882 6.962 1.00 0.00 H new ATOM 0 HA SER A 27 -0.054 6.780 8.868 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.863 6.420 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.737 7.444 10.539 1.00 0.00 H new ATOM 0 HG SER A 27 0.516 5.090 10.221 1.00 0.00 H new ATOM 391 N SER A 28 0.351 8.940 7.798 1.00 0.00 N ATOM 392 CA SER A 28 0.555 10.280 7.281 1.00 0.00 C ATOM 393 C SER A 28 -0.502 11.219 7.860 1.00 0.00 C ATOM 394 O SER A 28 -1.672 11.177 7.469 1.00 0.00 O ATOM 395 CB SER A 28 0.482 10.277 5.752 1.00 0.00 C ATOM 396 OG SER A 28 1.370 9.321 5.196 1.00 0.00 O ATOM 0 H SER A 28 -0.623 8.707 7.989 1.00 0.00 H new ATOM 0 HA SER A 28 1.544 10.630 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.537 10.057 5.435 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.727 11.269 5.372 1.00 0.00 H new ATOM 0 HG SER A 28 0.909 8.462 5.102 1.00 0.00 H new ATOM 401 N ASN A 29 -0.061 12.013 8.826 1.00 0.00 N ATOM 402 CA ASN A 29 -0.888 12.960 9.577 1.00 0.00 C ATOM 403 C ASN A 29 -0.078 13.319 10.807 1.00 0.00 C ATOM 404 O ASN A 29 0.752 14.227 10.754 1.00 0.00 O ATOM 405 CB ASN A 29 -2.243 12.350 9.986 1.00 0.00 C ATOM 406 CG ASN A 29 -3.218 13.357 10.582 1.00 0.00 C ATOM 407 OD1 ASN A 29 -4.300 12.983 11.033 1.00 0.00 O ATOM 408 ND2 ASN A 29 -2.869 14.635 10.569 1.00 0.00 N ATOM 0 H ASN A 29 0.915 12.019 9.122 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.126 13.831 8.967 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.702 11.889 9.111 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.069 11.555 10.711 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.505 15.341 10.940 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.965 14.913 10.188 1.00 0.00 H new ATOM 414 N PHE A 30 -0.002 12.343 11.699 1.00 0.00 N ATOM 415 CA PHE A 30 1.054 12.290 12.661 1.00 0.00 C ATOM 416 C PHE A 30 1.645 10.915 12.474 1.00 0.00 C ATOM 417 O PHE A 30 2.733 10.756 11.924 1.00 0.00 O ATOM 418 CB PHE A 30 0.538 12.468 14.096 1.00 0.00 C ATOM 419 CG PHE A 30 -0.177 13.765 14.341 1.00 0.00 C ATOM 420 CD1 PHE A 30 -1.495 13.933 13.947 1.00 0.00 C ATOM 421 CD2 PHE A 30 0.463 14.809 14.985 1.00 0.00 C ATOM 422 CE1 PHE A 30 -2.156 15.121 14.185 1.00 0.00 C ATOM 423 CE2 PHE A 30 -0.194 15.997 15.227 1.00 0.00 C ATOM 424 CZ PHE A 30 -1.505 16.154 14.827 1.00 0.00 C ATOM 0 H PHE A 30 -0.672 11.577 11.765 1.00 0.00 H new ATOM 0 HA PHE A 30 1.777 13.093 12.515 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.137 11.645 14.331 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.381 12.396 14.784 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.010 13.126 13.448 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.489 14.692 15.302 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.182 15.242 13.869 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.318 16.804 15.730 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.021 17.084 15.016 1.00 0.00 H new ATOM 433 N ARG A 31 0.758 9.939 12.644 1.00 0.00 N ATOM 434 CA ARG A 31 1.015 8.569 12.248 1.00 0.00 C ATOM 435 C ARG A 31 -0.281 7.746 12.356 1.00 0.00 C ATOM 436 O ARG A 31 -0.643 7.308 13.447 1.00 0.00 O ATOM 437 CB ARG A 31 2.098 7.971 13.152 1.00 0.00 C ATOM 438 CG ARG A 31 1.767 8.112 14.627 1.00 0.00 C ATOM 439 CD ARG A 31 2.253 9.433 15.210 1.00 0.00 C ATOM 440 NE ARG A 31 3.696 9.627 15.046 1.00 0.00 N ATOM 441 CZ ARG A 31 4.635 8.963 15.722 1.00 0.00 C ATOM 442 NH1 ARG A 31 4.304 8.074 16.656 1.00 0.00 N ATOM 443 NH2 ARG A 31 5.913 9.207 15.472 1.00 0.00 N ATOM 0 H ARG A 31 -0.161 10.083 13.062 1.00 0.00 H new ATOM 0 HA ARG A 31 1.361 8.546 11.215 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.226 6.916 12.911 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.049 8.462 12.948 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.688 8.033 14.763 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.219 7.287 15.178 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.723 10.255 14.728 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.004 9.471 16.270 1.00 0.00 H new ATOM 0 HE ARG A 31 4.005 10.321 14.365 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.322 7.893 16.863 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.033 7.574 17.165 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.172 9.898 14.768 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.638 8.704 15.984 1.00 0.00 H new ATOM 454 N ASN A 32 -0.985 7.504 11.248 1.00 0.00 N ATOM 455 CA ASN A 32 -2.204 6.693 11.333 1.00 0.00 C ATOM 456 C ASN A 32 -2.787 6.310 9.987 1.00 0.00 C ATOM 457 O ASN A 32 -3.457 7.117 9.349 1.00 0.00 O ATOM 458 CB ASN A 32 -3.249 7.429 12.155 1.00 0.00 C ATOM 459 CG ASN A 32 -4.498 6.605 12.404 1.00 0.00 C ATOM 460 OD1 ASN A 32 -4.430 5.510 12.961 1.00 0.00 O ATOM 461 ND2 ASN A 32 -5.647 7.134 12.018 1.00 0.00 N ATOM 0 H ASN A 32 -0.746 7.842 10.316 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.917 5.759 11.815 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.814 7.716 13.112 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.525 8.350 11.641 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.520 6.631 12.179 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.661 8.045 11.559 1.00 0.00 H new ATOM 467 N ILE A 33 -2.656 5.031 9.663 1.00 0.00 N ATOM 468 CA ILE A 33 -3.298 4.421 8.496 1.00 0.00 C ATOM 469 C ILE A 33 -3.169 2.892 8.573 1.00 0.00 C ATOM 470 O ILE A 33 -2.123 2.378 8.977 1.00 0.00 O ATOM 471 CB ILE A 33 -2.690 4.931 7.155 1.00 0.00 C ATOM 472 CG1 ILE A 33 -3.378 6.210 6.673 1.00 0.00 C ATOM 473 CG2 ILE A 33 -2.779 3.871 6.072 1.00 0.00 C ATOM 474 CD1 ILE A 33 -4.852 6.034 6.386 1.00 0.00 C ATOM 0 H ILE A 33 -2.095 4.376 10.207 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.349 4.711 8.512 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.641 5.153 7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.254 6.986 7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.880 6.562 5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.347 4.257 5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.230 2.983 6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.824 3.611 5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.273 6.981 6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.984 5.281 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.363 5.712 7.293 1.00 0.00 H new ATOM 485 N ASP A 34 -4.178 2.170 8.097 1.00 0.00 N ATOM 486 CA ASP A 34 -4.080 0.718 7.976 1.00 0.00 C ATOM 487 C ASP A 34 -4.820 0.216 6.749 1.00 0.00 C ATOM 488 O ASP A 34 -5.934 0.642 6.451 1.00 0.00 O ATOM 489 CB ASP A 34 -4.589 -0.027 9.218 1.00 0.00 C ATOM 490 CG ASP A 34 -5.802 0.614 9.873 1.00 0.00 C ATOM 491 OD1 ASP A 34 -6.837 0.798 9.195 1.00 0.00 O ATOM 492 OD2 ASP A 34 -5.735 0.917 11.084 1.00 0.00 O ATOM 0 H ASP A 34 -5.068 2.562 7.790 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.016 0.504 7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.839 -1.050 8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.783 -0.085 9.949 1.00 0.00 H new ATOM 496 N VAL A 35 -4.179 -0.694 6.042 1.00 0.00 N ATOM 497 CA VAL A 35 -4.750 -1.307 4.856 1.00 0.00 C ATOM 498 C VAL A 35 -4.672 -2.823 4.989 1.00 0.00 C ATOM 499 O VAL A 35 -3.584 -3.383 5.098 1.00 0.00 O ATOM 500 CB VAL A 35 -3.991 -0.871 3.577 1.00 0.00 C ATOM 501 CG1 VAL A 35 -4.605 -1.500 2.334 1.00 0.00 C ATOM 502 CG2 VAL A 35 -3.968 0.646 3.452 1.00 0.00 C ATOM 0 H VAL A 35 -3.245 -1.031 6.274 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.787 -0.983 4.768 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.963 -1.224 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.052 -1.177 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.557 -2.586 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.646 -1.188 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.430 0.928 2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.990 1.022 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.468 1.075 4.320 1.00 0.00 H new ATOM 512 N VAL A 36 -5.816 -3.481 5.029 1.00 0.00 N ATOM 513 CA VAL A 36 -5.845 -4.932 5.149 1.00 0.00 C ATOM 514 C VAL A 36 -6.377 -5.562 3.864 1.00 0.00 C ATOM 515 O VAL A 36 -7.336 -5.062 3.267 1.00 0.00 O ATOM 516 CB VAL A 36 -6.688 -5.394 6.362 1.00 0.00 C ATOM 517 CG1 VAL A 36 -8.141 -4.962 6.228 1.00 0.00 C ATOM 518 CG2 VAL A 36 -6.590 -6.901 6.542 1.00 0.00 C ATOM 0 H VAL A 36 -6.734 -3.039 4.981 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.821 -5.267 5.314 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.280 -4.912 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.704 -5.303 7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.193 -3.875 6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.568 -5.398 5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.190 -7.205 7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.960 -7.399 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.550 -7.181 6.709 1.00 0.00 H new ATOM 528 N PHE A 37 -5.683 -6.584 3.378 1.00 0.00 N ATOM 529 CA PHE A 37 -6.036 -7.196 2.108 1.00 0.00 C ATOM 530 C PHE A 37 -5.597 -8.651 2.041 1.00 0.00 C ATOM 531 O PHE A 37 -4.535 -9.028 2.541 1.00 0.00 O ATOM 532 CB PHE A 37 -5.426 -6.403 0.945 1.00 0.00 C ATOM 533 CG PHE A 37 -3.960 -6.109 1.093 1.00 0.00 C ATOM 534 CD1 PHE A 37 -3.006 -7.033 0.700 1.00 0.00 C ATOM 535 CD2 PHE A 37 -3.537 -4.905 1.628 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.661 -6.761 0.838 1.00 0.00 C ATOM 537 CE2 PHE A 37 -2.193 -4.627 1.772 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.253 -5.556 1.376 1.00 0.00 C ATOM 0 H PHE A 37 -4.877 -7.003 3.843 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.123 -7.174 2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.580 -6.960 0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.964 -5.461 0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.319 -7.978 0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.269 -4.173 1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.927 -7.490 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.878 -3.684 2.194 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.200 -5.341 1.486 1.00 0.00 H new ATOM 547 N GLU A 38 -6.402 -9.448 1.365 1.00 0.00 N ATOM 548 CA GLU A 38 -6.073 -10.835 1.108 1.00 0.00 C ATOM 549 C GLU A 38 -5.642 -10.972 -0.342 1.00 0.00 C ATOM 550 O GLU A 38 -6.116 -10.227 -1.202 1.00 0.00 O ATOM 551 CB GLU A 38 -7.280 -11.730 1.386 1.00 0.00 C ATOM 552 CG GLU A 38 -7.801 -11.635 2.807 1.00 0.00 C ATOM 553 CD GLU A 38 -9.083 -12.413 3.002 1.00 0.00 C ATOM 554 OE1 GLU A 38 -9.090 -13.629 2.722 1.00 0.00 O ATOM 555 OE2 GLU A 38 -10.083 -11.814 3.449 1.00 0.00 O ATOM 0 H GLU A 38 -7.299 -9.153 0.980 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.262 -11.147 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.082 -11.466 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.008 -12.765 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.043 -12.010 3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.972 -10.589 3.060 1.00 0.00 H new ATOM 560 N LEU A 39 -4.695 -11.857 -0.603 1.00 0.00 N ATOM 561 CA LEU A 39 -4.173 -12.026 -1.952 1.00 0.00 C ATOM 562 C LEU A 39 -5.268 -12.502 -2.901 1.00 0.00 C ATOM 563 O LEU A 39 -5.921 -13.517 -2.656 1.00 0.00 O ATOM 564 CB LEU A 39 -2.995 -13.010 -1.958 1.00 0.00 C ATOM 565 CG LEU A 39 -1.646 -12.436 -1.496 1.00 0.00 C ATOM 566 CD1 LEU A 39 -1.691 -12.032 -0.028 1.00 0.00 C ATOM 567 CD2 LEU A 39 -0.531 -13.442 -1.735 1.00 0.00 C ATOM 0 H LEU A 39 -4.272 -12.468 0.096 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.815 -11.057 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.248 -13.855 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.876 -13.400 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.444 -11.541 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.722 -11.630 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.459 -11.272 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.924 -12.904 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.417 -13.020 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.738 -14.354 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.472 -13.674 -2.798 1.00 0.00 H new ATOM 578 N GLY A 40 -5.502 -11.717 -3.945 1.00 0.00 N ATOM 579 CA GLY A 40 -6.541 -12.034 -4.905 1.00 0.00 C ATOM 580 C GLY A 40 -7.934 -11.777 -4.365 1.00 0.00 C ATOM 581 O GLY A 40 -8.864 -12.540 -4.634 1.00 0.00 O ATOM 0 H GLY A 40 -4.986 -10.860 -4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.390 -11.441 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.455 -13.081 -5.194 1.00 0.00 H new ATOM 585 N VAL A 41 -8.095 -10.688 -3.624 1.00 0.00 N ATOM 586 CA VAL A 41 -9.392 -10.333 -3.064 1.00 0.00 C ATOM 587 C VAL A 41 -9.725 -8.874 -3.348 1.00 0.00 C ATOM 588 O VAL A 41 -8.864 -7.998 -3.250 1.00 0.00 O ATOM 589 CB VAL A 41 -9.440 -10.600 -1.540 1.00 0.00 C ATOM 590 CG1 VAL A 41 -10.700 -10.025 -0.906 1.00 0.00 C ATOM 591 CG2 VAL A 41 -9.354 -12.091 -1.267 1.00 0.00 C ATOM 0 H VAL A 41 -7.344 -10.036 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.139 -10.964 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.583 -10.099 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.696 -10.233 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.728 -8.947 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.578 -10.483 -1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.389 -12.267 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.193 -12.597 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.419 -12.481 -1.668 1.00 0.00 H new ATOM 601 N ASP A 42 -10.981 -8.635 -3.697 1.00 0.00 N ATOM 602 CA ASP A 42 -11.475 -7.298 -3.998 1.00 0.00 C ATOM 603 C ASP A 42 -12.251 -6.757 -2.805 1.00 0.00 C ATOM 604 O ASP A 42 -12.960 -7.506 -2.127 1.00 0.00 O ATOM 605 CB ASP A 42 -12.384 -7.344 -5.229 1.00 0.00 C ATOM 606 CG ASP A 42 -13.082 -6.026 -5.510 1.00 0.00 C ATOM 607 OD1 ASP A 42 -12.399 -5.059 -5.890 1.00 0.00 O ATOM 608 OD2 ASP A 42 -14.322 -5.962 -5.371 1.00 0.00 O ATOM 0 H ASP A 42 -11.689 -9.365 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.629 -6.642 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.791 -7.626 -6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -13.135 -8.122 -5.089 1.00 0.00 H new ATOM 612 N PHE A 43 -12.026 -5.492 -2.486 1.00 0.00 N ATOM 613 CA PHE A 43 -12.603 -4.877 -1.298 1.00 0.00 C ATOM 614 C PHE A 43 -12.704 -3.369 -1.482 1.00 0.00 C ATOM 615 O PHE A 43 -12.130 -2.816 -2.422 1.00 0.00 O ATOM 616 CB PHE A 43 -11.753 -5.215 -0.068 1.00 0.00 C ATOM 617 CG PHE A 43 -10.293 -4.914 -0.252 1.00 0.00 C ATOM 618 CD1 PHE A 43 -9.794 -3.644 -0.016 1.00 0.00 C ATOM 619 CD2 PHE A 43 -9.423 -5.902 -0.680 1.00 0.00 C ATOM 620 CE1 PHE A 43 -8.456 -3.365 -0.200 1.00 0.00 C ATOM 621 CE2 PHE A 43 -8.084 -5.630 -0.867 1.00 0.00 C ATOM 622 CZ PHE A 43 -7.599 -4.360 -0.627 1.00 0.00 C ATOM 0 H PHE A 43 -11.442 -4.865 -3.039 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.607 -5.272 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.127 -4.654 0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.872 -6.273 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.461 -2.862 0.316 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.797 -6.897 -0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.079 -2.371 -0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.415 -6.410 -1.201 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.551 -4.145 -0.773 1.00 0.00 H new ATOM 631 N ALA A 44 -13.476 -2.717 -0.624 1.00 0.00 N ATOM 632 CA ALA A 44 -13.695 -1.286 -0.737 1.00 0.00 C ATOM 633 C ALA A 44 -13.868 -0.644 0.632 1.00 0.00 C ATOM 634 O ALA A 44 -14.700 -1.081 1.425 1.00 0.00 O ATOM 635 CB ALA A 44 -14.922 -1.013 -1.591 1.00 0.00 C ATOM 0 H ALA A 44 -13.960 -3.158 0.158 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.816 -0.848 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.078 0.063 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.773 -1.432 -2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -15.796 -1.474 -1.130 1.00 0.00 H new ATOM 641 N TYR A 45 -13.140 0.438 0.864 1.00 0.00 N ATOM 642 CA TYR A 45 -13.267 1.212 2.092 1.00 0.00 C ATOM 643 C TYR A 45 -12.592 2.566 1.948 1.00 0.00 C ATOM 644 O TYR A 45 -11.906 2.826 0.957 1.00 0.00 O ATOM 645 CB TYR A 45 -12.731 0.472 3.327 1.00 0.00 C ATOM 646 CG TYR A 45 -11.376 -0.184 3.178 1.00 0.00 C ATOM 647 CD1 TYR A 45 -10.228 0.567 2.970 1.00 0.00 C ATOM 648 CD2 TYR A 45 -11.248 -1.562 3.287 1.00 0.00 C ATOM 649 CE1 TYR A 45 -8.990 -0.037 2.872 1.00 0.00 C ATOM 650 CE2 TYR A 45 -10.016 -2.174 3.185 1.00 0.00 C ATOM 651 CZ TYR A 45 -8.890 -1.409 2.979 1.00 0.00 C ATOM 652 OH TYR A 45 -7.658 -2.017 2.894 1.00 0.00 O ATOM 0 H TYR A 45 -12.447 0.804 0.211 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.335 1.360 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.680 1.180 4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -13.454 -0.294 3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.304 1.641 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -12.128 -2.165 3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.105 0.561 2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.935 -3.248 3.266 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.756 -2.979 3.054 1.00 0.00 H new ATOM 661 N SER A 46 -12.840 3.437 2.910 1.00 0.00 N ATOM 662 CA SER A 46 -12.304 4.780 2.876 1.00 0.00 C ATOM 663 C SER A 46 -11.078 4.875 3.768 1.00 0.00 C ATOM 664 O SER A 46 -11.088 4.448 4.926 1.00 0.00 O ATOM 665 CB SER A 46 -13.370 5.782 3.333 1.00 0.00 C ATOM 666 OG SER A 46 -12.832 7.088 3.466 1.00 0.00 O ATOM 0 H SER A 46 -13.414 3.233 3.728 1.00 0.00 H new ATOM 0 HA SER A 46 -12.012 5.019 1.853 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.189 5.796 2.614 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.788 5.461 4.287 1.00 0.00 H new ATOM 0 HG SER A 46 -13.537 7.704 3.757 1.00 0.00 H new ATOM 671 N LEU A 47 -9.998 5.351 3.183 1.00 0.00 N ATOM 672 CA LEU A 47 -8.727 5.445 3.872 1.00 0.00 C ATOM 673 C LEU A 47 -8.425 6.874 4.269 1.00 0.00 C ATOM 674 O LEU A 47 -8.718 7.810 3.517 1.00 0.00 O ATOM 675 CB LEU A 47 -7.606 4.891 2.996 1.00 0.00 C ATOM 676 CG LEU A 47 -7.617 3.373 2.825 1.00 0.00 C ATOM 677 CD1 LEU A 47 -6.648 2.953 1.730 1.00 0.00 C ATOM 678 CD2 LEU A 47 -7.258 2.694 4.139 1.00 0.00 C ATOM 0 H LEU A 47 -9.976 5.683 2.219 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.792 4.848 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.671 5.354 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.649 5.187 3.425 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.621 3.063 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.669 1.869 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.940 3.417 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.640 3.272 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.269 1.612 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.263 3.011 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.984 2.972 4.903 1.00 0.00 H new ATOM 689 N ALA A 48 -7.897 7.020 5.485 1.00 0.00 N ATOM 690 CA ALA A 48 -7.562 8.314 6.073 1.00 0.00 C ATOM 691 C ALA A 48 -8.813 9.117 6.393 1.00 0.00 C ATOM 692 O ALA A 48 -9.183 9.256 7.562 1.00 0.00 O ATOM 693 CB ALA A 48 -6.622 9.106 5.170 1.00 0.00 C ATOM 0 H ALA A 48 -7.688 6.231 6.096 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.041 8.121 7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.392 10.064 5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.700 8.544 5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.102 9.277 4.206 1.00 0.00 H new ATOM 699 N ASP A 49 -9.509 9.544 5.352 1.00 0.00 N ATOM 700 CA ASP A 49 -10.752 10.298 5.495 1.00 0.00 C ATOM 701 C ASP A 49 -11.267 10.726 4.124 1.00 0.00 C ATOM 702 O ASP A 49 -12.030 11.685 4.004 1.00 0.00 O ATOM 703 CB ASP A 49 -10.518 11.543 6.370 1.00 0.00 C ATOM 704 CG ASP A 49 -11.804 12.226 6.800 1.00 0.00 C ATOM 705 OD1 ASP A 49 -12.650 11.564 7.438 1.00 0.00 O ATOM 706 OD2 ASP A 49 -11.961 13.434 6.529 1.00 0.00 O ATOM 0 H ASP A 49 -9.232 9.380 4.384 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.494 9.659 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.954 11.254 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.903 12.255 5.819 1.00 0.00 H new ATOM 710 N GLY A 50 -10.823 10.043 3.075 1.00 0.00 N ATOM 711 CA GLY A 50 -11.215 10.459 1.745 1.00 0.00 C ATOM 712 C GLY A 50 -11.252 9.338 0.727 1.00 0.00 C ATOM 713 O GLY A 50 -12.322 9.019 0.210 1.00 0.00 O ATOM 0 H GLY A 50 -10.212 9.227 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.202 10.920 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.523 11.226 1.398 1.00 0.00 H new ATOM 717 N THR A 51 -10.086 8.830 0.341 1.00 0.00 N ATOM 718 CA THR A 51 -10.006 7.862 -0.749 1.00 0.00 C ATOM 719 C THR A 51 -10.839 6.617 -0.464 1.00 0.00 C ATOM 720 O THR A 51 -10.567 5.885 0.490 1.00 0.00 O ATOM 721 CB THR A 51 -8.549 7.439 -1.027 1.00 0.00 C ATOM 722 OG1 THR A 51 -7.987 6.811 0.131 1.00 0.00 O ATOM 723 CG2 THR A 51 -7.700 8.638 -1.426 1.00 0.00 C ATOM 0 H THR A 51 -9.189 9.070 0.763 1.00 0.00 H new ATOM 0 HA THR A 51 -10.408 8.362 -1.630 1.00 0.00 H new ATOM 0 HB THR A 51 -8.555 6.729 -1.854 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.694 6.351 0.629 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.677 8.312 -1.616 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.111 9.090 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.703 9.371 -0.619 1.00 0.00 H new ATOM 731 N GLU A 52 -11.784 6.320 -1.350 1.00 0.00 N ATOM 732 CA GLU A 52 -12.571 5.109 -1.227 1.00 0.00 C ATOM 733 C GLU A 52 -12.251 4.208 -2.398 1.00 0.00 C ATOM 734 O GLU A 52 -12.762 4.413 -3.498 1.00 0.00 O ATOM 735 CB GLU A 52 -14.070 5.419 -1.199 1.00 0.00 C ATOM 736 CG GLU A 52 -14.463 6.505 -0.212 1.00 0.00 C ATOM 737 CD GLU A 52 -15.958 6.565 0.017 1.00 0.00 C ATOM 738 OE1 GLU A 52 -16.704 6.789 -0.960 1.00 0.00 O ATOM 739 OE2 GLU A 52 -16.398 6.382 1.171 1.00 0.00 O ATOM 0 H GLU A 52 -12.019 6.901 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.320 4.616 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.386 5.720 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.614 4.507 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.960 6.327 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.116 7.470 -0.581 1.00 0.00 H new ATOM 744 N LEU A 53 -11.270 3.345 -2.215 1.00 0.00 N ATOM 745 CA LEU A 53 -10.771 2.543 -3.318 1.00 0.00 C ATOM 746 C LEU A 53 -11.331 1.131 -3.275 1.00 0.00 C ATOM 747 O LEU A 53 -11.148 0.399 -2.303 1.00 0.00 O ATOM 748 CB LEU A 53 -9.240 2.487 -3.310 1.00 0.00 C ATOM 749 CG LEU A 53 -8.520 3.657 -3.996 1.00 0.00 C ATOM 750 CD1 LEU A 53 -8.821 4.968 -3.291 1.00 0.00 C ATOM 751 CD2 LEU A 53 -7.021 3.405 -4.019 1.00 0.00 C ATOM 0 H LEU A 53 -10.806 3.181 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.104 3.023 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.903 2.436 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.928 1.561 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.885 3.731 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.299 5.781 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.894 5.156 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.486 4.910 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.519 4.240 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.653 3.307 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.815 2.486 -4.568 1.00 0.00 H new ATOM 762 N THR A 54 -11.974 0.749 -4.368 1.00 0.00 N ATOM 763 CA THR A 54 -12.487 -0.599 -4.536 1.00 0.00 C ATOM 764 C THR A 54 -11.586 -1.359 -5.493 1.00 0.00 C ATOM 765 O THR A 54 -11.490 -0.996 -6.664 1.00 0.00 O ATOM 766 CB THR A 54 -13.908 -0.577 -5.122 1.00 0.00 C ATOM 767 OG1 THR A 54 -14.704 0.396 -4.436 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.565 -1.945 -5.018 1.00 0.00 C ATOM 0 H THR A 54 -12.154 1.365 -5.161 1.00 0.00 H new ATOM 0 HA THR A 54 -12.511 -1.081 -3.559 1.00 0.00 H new ATOM 0 HB THR A 54 -13.836 -0.311 -6.177 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.607 0.406 -4.816 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.569 -1.900 -5.440 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.973 -2.676 -5.568 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.625 -2.241 -3.971 1.00 0.00 H new ATOM 776 N GLY A 55 -10.862 -2.344 -4.999 1.00 0.00 N ATOM 777 CA GLY A 55 -9.929 -3.025 -5.857 1.00 0.00 C ATOM 778 C GLY A 55 -9.413 -4.323 -5.288 1.00 0.00 C ATOM 779 O GLY A 55 -9.525 -4.576 -4.089 1.00 0.00 O ATOM 0 H GLY A 55 -10.902 -2.679 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.410 -3.225 -6.815 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.084 -2.365 -6.056 1.00 0.00 H new ATOM 783 N THR A 56 -8.802 -5.115 -6.152 1.00 0.00 N ATOM 784 CA THR A 56 -8.195 -6.370 -5.759 1.00 0.00 C ATOM 785 C THR A 56 -6.678 -6.217 -5.685 1.00 0.00 C ATOM 786 O THR A 56 -6.090 -5.410 -6.412 1.00 0.00 O ATOM 787 CB THR A 56 -8.563 -7.503 -6.745 1.00 0.00 C ATOM 788 OG1 THR A 56 -7.946 -8.731 -6.346 1.00 0.00 O ATOM 789 CG2 THR A 56 -8.135 -7.157 -8.164 1.00 0.00 C ATOM 0 H THR A 56 -8.714 -4.904 -7.146 1.00 0.00 H new ATOM 0 HA THR A 56 -8.580 -6.638 -4.775 1.00 0.00 H new ATOM 0 HB THR A 56 -9.647 -7.619 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.189 -9.440 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.407 -7.972 -8.835 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.636 -6.243 -8.482 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.056 -7.008 -8.192 1.00 0.00 H new ATOM 797 N TRP A 57 -6.061 -6.932 -4.756 1.00 0.00 N ATOM 798 CA TRP A 57 -4.626 -6.837 -4.542 1.00 0.00 C ATOM 799 C TRP A 57 -3.978 -8.214 -4.652 1.00 0.00 C ATOM 800 O TRP A 57 -4.476 -9.188 -4.088 1.00 0.00 O ATOM 801 CB TRP A 57 -4.339 -6.244 -3.161 1.00 0.00 C ATOM 802 CG TRP A 57 -2.902 -5.872 -2.951 1.00 0.00 C ATOM 803 CD1 TRP A 57 -1.893 -6.697 -2.547 1.00 0.00 C ATOM 804 CD2 TRP A 57 -2.321 -4.572 -3.101 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.717 -5.994 -2.453 1.00 0.00 N ATOM 806 CE2 TRP A 57 -0.954 -4.686 -2.786 1.00 0.00 C ATOM 807 CE3 TRP A 57 -2.821 -3.323 -3.477 1.00 0.00 C ATOM 808 CZ2 TRP A 57 -0.086 -3.599 -2.835 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -1.958 -2.246 -3.524 1.00 0.00 C ATOM 810 CH2 TRP A 57 -0.605 -2.389 -3.205 1.00 0.00 C ATOM 0 H TRP A 57 -6.536 -7.588 -4.135 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.206 -6.186 -5.309 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -4.959 -5.358 -3.020 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.634 -6.964 -2.398 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.003 -7.750 -2.332 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.186 -6.382 -2.180 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.865 -3.202 -3.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 0.960 -3.707 -2.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.335 -1.276 -3.812 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.044 -1.527 -3.252 1.00 0.00 H new ATOM 820 N THR A 58 -2.841 -8.276 -5.326 1.00 0.00 N ATOM 821 CA THR A 58 -2.081 -9.510 -5.441 1.00 0.00 C ATOM 822 C THR A 58 -0.611 -9.258 -5.125 1.00 0.00 C ATOM 823 O THR A 58 -0.053 -8.224 -5.497 1.00 0.00 O ATOM 824 CB THR A 58 -2.200 -10.122 -6.852 1.00 0.00 C ATOM 825 OG1 THR A 58 -1.949 -9.120 -7.849 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.577 -10.731 -7.068 1.00 0.00 C ATOM 0 H THR A 58 -2.422 -7.479 -5.805 1.00 0.00 H new ATOM 0 HA THR A 58 -2.498 -10.216 -4.723 1.00 0.00 H new ATOM 0 HB THR A 58 -1.456 -10.913 -6.941 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.776 -8.260 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.634 -11.155 -8.070 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.747 -11.516 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.338 -9.958 -6.957 1.00 0.00 H new ATOM 834 N MET A 59 0.024 -10.219 -4.476 1.00 0.00 N ATOM 835 CA MET A 59 1.440 -10.116 -4.177 1.00 0.00 C ATOM 836 C MET A 59 2.169 -11.361 -4.649 1.00 0.00 C ATOM 837 O MET A 59 2.007 -12.444 -4.085 1.00 0.00 O ATOM 838 CB MET A 59 1.671 -9.908 -2.678 1.00 0.00 C ATOM 839 CG MET A 59 3.143 -9.821 -2.303 1.00 0.00 C ATOM 840 SD MET A 59 3.402 -9.602 -0.534 1.00 0.00 S ATOM 841 CE MET A 59 5.190 -9.500 -0.461 1.00 0.00 C ATOM 0 H MET A 59 -0.418 -11.077 -4.147 1.00 0.00 H new ATOM 0 HA MET A 59 1.836 -9.250 -4.707 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.168 -8.994 -2.363 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.211 -10.730 -2.129 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.651 -10.728 -2.630 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.601 -8.989 -2.838 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.507 -9.399 0.577 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.624 -10.405 -0.886 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.529 -8.634 -1.029 1.00 0.00 H new ATOM 849 N GLU A 60 2.931 -11.212 -5.715 1.00 0.00 N ATOM 850 CA GLU A 60 3.644 -12.333 -6.302 1.00 0.00 C ATOM 851 C GLU A 60 5.129 -12.265 -5.954 1.00 0.00 C ATOM 852 O GLU A 60 5.860 -11.433 -6.491 1.00 0.00 O ATOM 853 CB GLU A 60 3.438 -12.323 -7.820 1.00 0.00 C ATOM 854 CG GLU A 60 1.970 -12.241 -8.221 1.00 0.00 C ATOM 855 CD GLU A 60 1.766 -11.992 -9.701 1.00 0.00 C ATOM 856 OE1 GLU A 60 2.762 -11.966 -10.452 1.00 0.00 O ATOM 857 OE2 GLU A 60 0.604 -11.804 -10.123 1.00 0.00 O ATOM 0 H GLU A 60 3.073 -10.323 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 60 3.251 -13.265 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.974 -11.476 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.876 -13.226 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.472 -13.170 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.490 -11.442 -7.656 1.00 0.00 H new ATOM 862 N GLY A 61 5.554 -13.116 -5.022 1.00 0.00 N ATOM 863 CA GLY A 61 6.938 -13.128 -4.572 1.00 0.00 C ATOM 864 C GLY A 61 7.302 -11.895 -3.767 1.00 0.00 C ATOM 865 O GLY A 61 7.198 -11.882 -2.541 1.00 0.00 O ATOM 0 H GLY A 61 4.957 -13.805 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.111 -14.017 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.597 -13.199 -5.438 1.00 0.00 H new ATOM 869 N ASN A 62 7.641 -10.832 -4.469 1.00 0.00 N ATOM 870 CA ASN A 62 7.938 -9.551 -3.845 1.00 0.00 C ATOM 871 C ASN A 62 7.472 -8.431 -4.761 1.00 0.00 C ATOM 872 O ASN A 62 8.100 -7.381 -4.868 1.00 0.00 O ATOM 873 CB ASN A 62 9.440 -9.420 -3.533 1.00 0.00 C ATOM 874 CG ASN A 62 10.334 -9.659 -4.740 1.00 0.00 C ATOM 875 OD1 ASN A 62 10.327 -8.898 -5.705 1.00 0.00 O ATOM 876 ND2 ASN A 62 11.112 -10.728 -4.690 1.00 0.00 N ATOM 0 H ASN A 62 7.719 -10.828 -5.486 1.00 0.00 H new ATOM 0 HA ASN A 62 7.406 -9.484 -2.896 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.635 -8.423 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.703 -10.130 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.733 -10.943 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.090 -11.337 -3.872 1.00 0.00 H new ATOM 882 N LYS A 63 6.316 -8.650 -5.363 1.00 0.00 N ATOM 883 CA LYS A 63 5.703 -7.674 -6.241 1.00 0.00 C ATOM 884 C LYS A 63 4.294 -7.394 -5.773 1.00 0.00 C ATOM 885 O LYS A 63 3.508 -8.314 -5.546 1.00 0.00 O ATOM 886 CB LYS A 63 5.672 -8.160 -7.694 1.00 0.00 C ATOM 887 CG LYS A 63 7.008 -8.068 -8.418 1.00 0.00 C ATOM 888 CD LYS A 63 7.943 -9.202 -8.037 1.00 0.00 C ATOM 889 CE LYS A 63 9.287 -9.063 -8.732 1.00 0.00 C ATOM 890 NZ LYS A 63 10.179 -10.221 -8.466 1.00 0.00 N ATOM 0 H LYS A 63 5.778 -9.510 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 63 6.302 -6.764 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.335 -9.196 -7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.934 -7.576 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.838 -8.085 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.481 -7.114 -8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.088 -9.210 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.489 -10.156 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.130 -8.967 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.774 -8.147 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.994 -10.187 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.515 -10.182 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.654 -11.106 -8.618 1.00 0.00 H new ATOM 900 N LEU A 64 4.008 -6.133 -5.567 1.00 0.00 N ATOM 901 CA LEU A 64 2.719 -5.705 -5.076 1.00 0.00 C ATOM 902 C LEU A 64 1.938 -5.046 -6.195 1.00 0.00 C ATOM 903 O LEU A 64 2.340 -4.002 -6.705 1.00 0.00 O ATOM 904 CB LEU A 64 2.941 -4.745 -3.918 1.00 0.00 C ATOM 905 CG LEU A 64 3.599 -5.383 -2.694 1.00 0.00 C ATOM 906 CD1 LEU A 64 4.103 -4.314 -1.740 1.00 0.00 C ATOM 907 CD2 LEU A 64 2.618 -6.302 -1.983 1.00 0.00 C ATOM 0 H LEU A 64 4.664 -5.370 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 64 2.139 -6.558 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.562 -3.917 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.981 -4.322 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 64 4.450 -5.974 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.568 -4.788 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.836 -3.689 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.267 -3.697 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.102 -6.748 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.750 -5.727 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.298 -7.090 -2.665 1.00 0.00 H new ATOM 918 N VAL A 65 0.898 -5.718 -6.658 1.00 0.00 N ATOM 919 CA VAL A 65 0.146 -5.252 -7.813 1.00 0.00 C ATOM 920 C VAL A 65 -1.352 -5.364 -7.560 1.00 0.00 C ATOM 921 O VAL A 65 -1.824 -6.348 -6.992 1.00 0.00 O ATOM 922 CB VAL A 65 0.509 -6.059 -9.088 1.00 0.00 C ATOM 923 CG1 VAL A 65 -0.287 -5.571 -10.291 1.00 0.00 C ATOM 924 CG2 VAL A 65 2.003 -5.985 -9.377 1.00 0.00 C ATOM 0 H VAL A 65 0.554 -6.588 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 65 0.412 -4.207 -7.971 1.00 0.00 H new ATOM 0 HB VAL A 65 0.247 -7.101 -8.903 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.012 -6.154 -11.170 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.353 -5.690 -10.095 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.067 -4.519 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.229 -6.559 -10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.293 -4.945 -9.528 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.558 -6.397 -8.534 1.00 0.00 H new ATOM 934 N GLY A 66 -2.097 -4.372 -8.015 1.00 0.00 N ATOM 935 CA GLY A 66 -3.533 -4.414 -7.891 1.00 0.00 C ATOM 936 C GLY A 66 -4.200 -3.431 -8.822 1.00 0.00 C ATOM 937 O GLY A 66 -3.578 -2.948 -9.769 1.00 0.00 O ATOM 0 H GLY A 66 -1.730 -3.536 -8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.888 -5.421 -8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.817 -4.192 -6.862 1.00 0.00 H new ATOM 941 N LYS A 67 -5.440 -3.091 -8.522 1.00 0.00 N ATOM 942 CA LYS A 67 -6.187 -2.115 -9.300 1.00 0.00 C ATOM 943 C LYS A 67 -7.402 -1.679 -8.507 1.00 0.00 C ATOM 944 O LYS A 67 -8.259 -2.500 -8.190 1.00 0.00 O ATOM 945 CB LYS A 67 -6.633 -2.711 -10.637 1.00 0.00 C ATOM 946 CG LYS A 67 -7.243 -1.693 -11.589 1.00 0.00 C ATOM 947 CD LYS A 67 -7.767 -2.355 -12.852 1.00 0.00 C ATOM 948 CE LYS A 67 -9.081 -3.080 -12.605 1.00 0.00 C ATOM 949 NZ LYS A 67 -10.196 -2.135 -12.321 1.00 0.00 N ATOM 0 H LYS A 67 -5.958 -3.481 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.544 -1.259 -9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.775 -3.178 -11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.361 -3.500 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.056 -1.167 -11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.495 -0.946 -11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.908 -1.601 -13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.026 -3.062 -13.226 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.331 -3.684 -13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.964 -3.766 -11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.105 -2.624 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.117 -1.789 -11.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.145 -1.330 -12.978 1.00 0.00 H new ATOM 959 N PHE A 68 -7.420 -0.422 -8.096 1.00 0.00 N ATOM 960 CA PHE A 68 -8.478 0.075 -7.231 1.00 0.00 C ATOM 961 C PHE A 68 -9.236 1.215 -7.893 1.00 0.00 C ATOM 962 O PHE A 68 -8.675 1.972 -8.686 1.00 0.00 O ATOM 963 CB PHE A 68 -7.903 0.545 -5.892 1.00 0.00 C ATOM 964 CG PHE A 68 -7.335 -0.553 -5.033 1.00 0.00 C ATOM 965 CD1 PHE A 68 -6.275 -1.328 -5.474 1.00 0.00 C ATOM 966 CD2 PHE A 68 -7.862 -0.801 -3.777 1.00 0.00 C ATOM 967 CE1 PHE A 68 -5.754 -2.330 -4.684 1.00 0.00 C ATOM 968 CE2 PHE A 68 -7.344 -1.802 -2.982 1.00 0.00 C ATOM 969 CZ PHE A 68 -6.290 -2.568 -3.435 1.00 0.00 C ATOM 0 H PHE A 68 -6.716 0.272 -8.346 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.172 -0.746 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.120 1.279 -6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.688 1.056 -5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.851 -1.145 -6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.687 -0.205 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.928 -2.927 -5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.764 -1.986 -2.004 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.885 -3.353 -2.813 1.00 0.00 H new ATOM 978 N LYS A 69 -10.508 1.329 -7.553 1.00 0.00 N ATOM 979 CA LYS A 69 -11.356 2.377 -8.083 1.00 0.00 C ATOM 980 C LYS A 69 -11.562 3.456 -7.035 1.00 0.00 C ATOM 981 O LYS A 69 -11.911 3.169 -5.897 1.00 0.00 O ATOM 982 CB LYS A 69 -12.704 1.799 -8.523 1.00 0.00 C ATOM 983 CG LYS A 69 -13.739 2.858 -8.871 1.00 0.00 C ATOM 984 CD LYS A 69 -15.008 2.242 -9.437 1.00 0.00 C ATOM 985 CE LYS A 69 -14.743 1.531 -10.753 1.00 0.00 C ATOM 986 NZ LYS A 69 -15.996 1.071 -11.402 1.00 0.00 N ATOM 0 H LYS A 69 -10.979 0.699 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.869 2.818 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.548 1.157 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.097 1.168 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.982 3.436 -7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.318 3.554 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.423 1.536 -8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.756 3.021 -9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.212 2.203 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.091 0.675 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.768 0.592 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.491 0.409 -10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.608 1.890 -11.594 1.00 0.00 H new ATOM 996 N ARG A 70 -11.283 4.681 -7.424 1.00 0.00 N ATOM 997 CA ARG A 70 -11.372 5.830 -6.543 1.00 0.00 C ATOM 998 C ARG A 70 -12.327 6.854 -7.152 1.00 0.00 C ATOM 999 O ARG A 70 -11.923 7.676 -7.977 1.00 0.00 O ATOM 1000 CB ARG A 70 -9.961 6.394 -6.366 1.00 0.00 C ATOM 1001 CG ARG A 70 -9.874 7.790 -5.777 1.00 0.00 C ATOM 1002 CD ARG A 70 -10.712 7.966 -4.528 1.00 0.00 C ATOM 1003 NE ARG A 70 -10.499 9.287 -3.951 1.00 0.00 N ATOM 1004 CZ ARG A 70 -11.247 9.829 -2.993 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -12.349 9.221 -2.571 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -10.916 11.009 -2.495 1.00 0.00 N ATOM 0 H ARG A 70 -10.984 4.912 -8.372 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.766 5.558 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.397 5.715 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.468 6.399 -7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.833 8.014 -5.543 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.195 8.514 -6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.767 7.834 -4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.453 7.198 -3.799 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.718 9.838 -4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.629 8.330 -2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.916 9.645 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.092 11.498 -2.845 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.485 11.430 -1.761 1.00 0.00 H new ATOM 1017 N VAL A 71 -13.613 6.664 -6.885 1.00 0.00 N ATOM 1018 CA VAL A 71 -14.666 7.419 -7.558 1.00 0.00 C ATOM 1019 C VAL A 71 -14.552 8.924 -7.306 1.00 0.00 C ATOM 1020 O VAL A 71 -14.743 9.720 -8.222 1.00 0.00 O ATOM 1021 CB VAL A 71 -16.080 6.913 -7.170 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -16.369 7.125 -5.691 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -17.147 7.579 -8.027 1.00 0.00 C ATOM 0 H VAL A 71 -13.955 5.988 -6.202 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.525 7.248 -8.625 1.00 0.00 H new ATOM 0 HB VAL A 71 -16.105 5.840 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.369 6.758 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.636 6.581 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.310 8.188 -5.457 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -18.130 7.209 -7.737 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.109 8.659 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.967 7.347 -9.077 1.00 0.00 H new ATOM 1033 N ASP A 72 -14.190 9.312 -6.087 1.00 0.00 N ATOM 1034 CA ASP A 72 -14.064 10.731 -5.749 1.00 0.00 C ATOM 1035 C ASP A 72 -12.722 11.292 -6.229 1.00 0.00 C ATOM 1036 O ASP A 72 -12.048 12.037 -5.520 1.00 0.00 O ATOM 1037 CB ASP A 72 -14.228 10.936 -4.241 1.00 0.00 C ATOM 1038 CG ASP A 72 -14.445 12.389 -3.867 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -15.331 13.035 -4.460 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -13.746 12.884 -2.955 1.00 0.00 O ATOM 0 H ASP A 72 -13.980 8.672 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.857 11.276 -6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.073 10.344 -3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.341 10.562 -3.729 1.00 0.00 H new ATOM 1044 N ASN A 73 -12.367 10.952 -7.461 1.00 0.00 N ATOM 1045 CA ASN A 73 -11.147 11.447 -8.089 1.00 0.00 C ATOM 1046 C ASN A 73 -11.183 11.165 -9.582 1.00 0.00 C ATOM 1047 O ASN A 73 -11.031 12.072 -10.400 1.00 0.00 O ATOM 1048 CB ASN A 73 -9.905 10.798 -7.471 1.00 0.00 C ATOM 1049 CG ASN A 73 -8.616 11.263 -8.128 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -8.335 12.460 -8.195 1.00 0.00 O ATOM 1051 ND2 ASN A 73 -7.818 10.325 -8.615 1.00 0.00 N ATOM 0 H ASN A 73 -12.914 10.327 -8.053 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.091 12.523 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.870 11.029 -6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.983 9.714 -7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.939 10.585 -9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.082 9.342 -8.542 1.00 0.00 H new ATOM 1057 N GLY A 74 -11.451 9.914 -9.929 1.00 0.00 N ATOM 1058 CA GLY A 74 -11.564 9.540 -11.325 1.00 0.00 C ATOM 1059 C GLY A 74 -11.790 8.055 -11.492 1.00 0.00 C ATOM 1060 O GLY A 74 -11.207 7.428 -12.374 1.00 0.00 O ATOM 0 H GLY A 74 -11.592 9.150 -9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.389 10.087 -11.782 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.657 9.831 -11.854 1.00 0.00 H new ATOM 1064 N LYS A 75 -12.592 7.501 -10.581 1.00 0.00 N ATOM 1065 CA LYS A 75 -12.918 6.068 -10.513 1.00 0.00 C ATOM 1066 C LYS A 75 -11.702 5.156 -10.707 1.00 0.00 C ATOM 1067 O LYS A 75 -11.849 4.019 -11.155 1.00 0.00 O ATOM 1068 CB LYS A 75 -14.028 5.690 -11.505 1.00 0.00 C ATOM 1069 CG LYS A 75 -13.644 5.823 -12.972 1.00 0.00 C ATOM 1070 CD LYS A 75 -14.754 5.345 -13.889 1.00 0.00 C ATOM 1071 CE LYS A 75 -14.359 5.483 -15.348 1.00 0.00 C ATOM 1072 NZ LYS A 75 -15.399 4.940 -16.257 1.00 0.00 N ATOM 0 H LYS A 75 -13.047 8.047 -9.849 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.280 5.903 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.331 4.660 -11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.897 6.319 -11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.412 6.865 -13.194 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.739 5.247 -13.165 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.987 4.303 -13.670 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.660 5.921 -13.699 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.187 6.534 -15.580 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.418 4.961 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.091 5.053 -17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.545 3.931 -16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.291 5.455 -16.111 1.00 0.00 H new ATOM 1082 N GLU A 76 -10.528 5.610 -10.268 1.00 0.00 N ATOM 1083 CA GLU A 76 -9.308 4.808 -10.358 1.00 0.00 C ATOM 1084 C GLU A 76 -8.197 5.374 -9.487 1.00 0.00 C ATOM 1085 O GLU A 76 -8.010 6.587 -9.407 1.00 0.00 O ATOM 1086 CB GLU A 76 -8.802 4.725 -11.802 1.00 0.00 C ATOM 1087 CG GLU A 76 -9.350 3.548 -12.591 1.00 0.00 C ATOM 1088 CD GLU A 76 -8.794 3.486 -13.992 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -8.944 4.475 -14.738 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -8.205 2.450 -14.358 1.00 0.00 O ATOM 0 H GLU A 76 -10.396 6.529 -9.846 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.569 3.811 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.064 5.648 -12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.714 4.664 -11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.113 2.622 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.437 3.619 -12.637 1.00 0.00 H new ATOM 1095 N LEU A 77 -7.438 4.468 -8.896 1.00 0.00 N ATOM 1096 CA LEU A 77 -6.214 4.792 -8.178 1.00 0.00 C ATOM 1097 C LEU A 77 -5.468 3.494 -7.883 1.00 0.00 C ATOM 1098 O LEU A 77 -5.982 2.627 -7.179 1.00 0.00 O ATOM 1099 CB LEU A 77 -6.503 5.566 -6.890 1.00 0.00 C ATOM 1100 CG LEU A 77 -5.265 6.073 -6.138 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.447 7.012 -7.015 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -5.672 6.776 -4.853 1.00 0.00 C ATOM 0 H LEU A 77 -7.656 3.472 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.595 5.441 -8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.135 6.420 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.077 4.925 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.647 5.212 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.574 7.359 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.122 6.482 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.059 7.867 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.781 7.129 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.314 7.625 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.214 6.079 -4.213 1.00 0.00 H new ATOM 1113 N ILE A 78 -4.354 3.282 -8.565 1.00 0.00 N ATOM 1114 CA ILE A 78 -3.659 2.002 -8.492 1.00 0.00 C ATOM 1115 C ILE A 78 -2.340 2.118 -7.733 1.00 0.00 C ATOM 1116 O ILE A 78 -1.475 2.904 -8.103 1.00 0.00 O ATOM 1117 CB ILE A 78 -3.382 1.445 -9.908 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.695 1.281 -10.680 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -2.643 0.117 -9.829 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -4.508 0.825 -12.112 1.00 0.00 C ATOM 0 H ILE A 78 -3.912 3.973 -9.172 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.313 1.317 -7.952 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.750 2.156 -10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.325 0.561 -10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.228 2.232 -10.678 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.458 -0.257 -10.836 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.693 0.260 -9.315 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.248 -0.604 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.481 0.731 -12.594 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.905 1.556 -12.651 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.003 -0.141 -12.123 1.00 0.00 H new ATOM 1131 N ALA A 79 -2.141 1.244 -6.762 1.00 0.00 N ATOM 1132 CA ALA A 79 -0.870 1.168 -6.062 1.00 0.00 C ATOM 1133 C ALA A 79 -0.128 -0.100 -6.473 1.00 0.00 C ATOM 1134 O ALA A 79 -0.671 -1.201 -6.377 1.00 0.00 O ATOM 1135 CB ALA A 79 -1.090 1.204 -4.557 1.00 0.00 C ATOM 0 H ALA A 79 -2.843 0.577 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.261 2.030 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.128 1.146 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.590 2.134 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.710 0.358 -4.260 1.00 0.00 H new ATOM 1141 N VAL A 80 1.082 0.063 -6.991 1.00 0.00 N ATOM 1142 CA VAL A 80 1.880 -1.063 -7.473 1.00 0.00 C ATOM 1143 C VAL A 80 3.358 -0.813 -7.194 1.00 0.00 C ATOM 1144 O VAL A 80 3.883 0.246 -7.545 1.00 0.00 O ATOM 1145 CB VAL A 80 1.692 -1.288 -8.999 1.00 0.00 C ATOM 1146 CG1 VAL A 80 2.712 -2.281 -9.542 1.00 0.00 C ATOM 1147 CG2 VAL A 80 0.285 -1.767 -9.314 1.00 0.00 C ATOM 0 H VAL A 80 1.538 0.970 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 80 1.539 -1.953 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 80 1.851 -0.327 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.554 -2.417 -10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.718 -1.900 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.594 -3.238 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.183 -1.916 -10.389 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.097 -2.709 -8.798 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.436 -1.021 -8.981 1.00 0.00 H new ATOM 1157 N ARG A 81 4.041 -1.800 -6.616 1.00 0.00 N ATOM 1158 CA ARG A 81 5.474 -1.688 -6.380 1.00 0.00 C ATOM 1159 C ARG A 81 6.103 -3.032 -6.033 1.00 0.00 C ATOM 1160 O ARG A 81 5.476 -3.880 -5.411 1.00 0.00 O ATOM 1161 CB ARG A 81 5.776 -0.692 -5.266 1.00 0.00 C ATOM 1162 CG ARG A 81 7.190 -0.149 -5.343 1.00 0.00 C ATOM 1163 CD ARG A 81 7.345 0.779 -6.532 1.00 0.00 C ATOM 1164 NE ARG A 81 8.746 1.030 -6.874 1.00 0.00 N ATOM 1165 CZ ARG A 81 9.139 1.758 -7.922 1.00 0.00 C ATOM 1166 NH1 ARG A 81 8.242 2.221 -8.783 1.00 0.00 N ATOM 1167 NH2 ARG A 81 10.427 1.990 -8.123 1.00 0.00 N ATOM 0 H ARG A 81 3.626 -2.679 -6.306 1.00 0.00 H new ATOM 0 HA ARG A 81 5.911 -1.330 -7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.069 0.135 -5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.627 -1.175 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.430 0.386 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.898 -0.974 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.837 0.347 -7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.853 1.727 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 81 9.465 0.624 -6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.251 2.021 -8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.543 2.777 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.120 1.612 -7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.726 2.546 -8.924 1.00 0.00 H new ATOM 1178 N GLU A 82 7.366 -3.188 -6.392 1.00 0.00 N ATOM 1179 CA GLU A 82 8.120 -4.384 -6.067 1.00 0.00 C ATOM 1180 C GLU A 82 9.098 -4.086 -4.934 1.00 0.00 C ATOM 1181 O GLU A 82 9.445 -2.926 -4.691 1.00 0.00 O ATOM 1182 CB GLU A 82 8.868 -4.874 -7.308 1.00 0.00 C ATOM 1183 CG GLU A 82 9.871 -3.864 -7.839 1.00 0.00 C ATOM 1184 CD GLU A 82 10.378 -4.204 -9.222 1.00 0.00 C ATOM 1185 OE1 GLU A 82 9.809 -5.108 -9.868 1.00 0.00 O ATOM 1186 OE2 GLU A 82 11.338 -3.549 -9.679 1.00 0.00 O ATOM 0 H GLU A 82 7.895 -2.491 -6.915 1.00 0.00 H new ATOM 0 HA GLU A 82 7.437 -5.167 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.388 -5.801 -7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.146 -5.106 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.408 -2.878 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.716 -3.805 -7.153 1.00 0.00 H new ATOM 1191 N ILE A 83 9.527 -5.121 -4.237 1.00 0.00 N ATOM 1192 CA ILE A 83 10.463 -4.963 -3.135 1.00 0.00 C ATOM 1193 C ILE A 83 11.858 -5.384 -3.583 1.00 0.00 C ATOM 1194 O ILE A 83 12.067 -6.522 -4.009 1.00 0.00 O ATOM 1195 CB ILE A 83 10.049 -5.801 -1.894 1.00 0.00 C ATOM 1196 CG1 ILE A 83 8.757 -5.262 -1.262 1.00 0.00 C ATOM 1197 CG2 ILE A 83 11.167 -5.821 -0.859 1.00 0.00 C ATOM 1198 CD1 ILE A 83 7.500 -5.574 -2.047 1.00 0.00 C ATOM 0 H ILE A 83 9.242 -6.084 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 83 10.457 -3.912 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 83 9.864 -6.820 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.657 -5.677 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.844 -4.181 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.856 -6.413 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.062 -6.262 -1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.384 -4.802 -0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.635 -5.157 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 83 7.574 -5.135 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.384 -6.654 -2.134 1.00 0.00 H new ATOM 1209 N SER A 84 12.797 -4.456 -3.518 1.00 0.00 N ATOM 1210 CA SER A 84 14.170 -4.740 -3.904 1.00 0.00 C ATOM 1211 C SER A 84 15.056 -4.805 -2.665 1.00 0.00 C ATOM 1212 O SER A 84 15.042 -3.885 -1.848 1.00 0.00 O ATOM 1213 CB SER A 84 14.678 -3.665 -4.866 1.00 0.00 C ATOM 1214 OG SER A 84 15.964 -3.982 -5.367 1.00 0.00 O ATOM 0 H SER A 84 12.635 -3.500 -3.202 1.00 0.00 H new ATOM 0 HA SER A 84 14.205 -5.705 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.979 -3.558 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.713 -2.704 -4.353 1.00 0.00 H new ATOM 0 HG SER A 84 16.259 -3.277 -5.980 1.00 0.00 H new ATOM 1219 N GLY A 85 15.734 -5.937 -2.473 1.00 0.00 N ATOM 1220 CA GLY A 85 16.498 -6.140 -1.253 1.00 0.00 C ATOM 1221 C GLY A 85 15.586 -6.112 -0.052 1.00 0.00 C ATOM 1222 O GLY A 85 14.526 -6.738 -0.076 1.00 0.00 O ATOM 0 H GLY A 85 15.767 -6.711 -3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.021 -7.095 -1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.258 -5.364 -1.159 1.00 0.00 H new ATOM 1226 N ASN A 86 15.845 -5.196 0.867 1.00 0.00 N ATOM 1227 CA ASN A 86 14.851 -4.885 1.879 1.00 0.00 C ATOM 1228 C ASN A 86 14.618 -3.384 1.906 1.00 0.00 C ATOM 1229 O ASN A 86 15.275 -2.640 2.638 1.00 0.00 O ATOM 1230 CB ASN A 86 15.294 -5.367 3.269 1.00 0.00 C ATOM 1231 CG ASN A 86 15.120 -6.867 3.518 1.00 0.00 C ATOM 1232 OD1 ASN A 86 15.447 -7.356 4.600 1.00 0.00 O ATOM 1233 ND2 ASN A 86 14.626 -7.616 2.542 1.00 0.00 N ATOM 0 H ASN A 86 16.714 -4.666 0.933 1.00 0.00 H new ATOM 0 HA ASN A 86 13.927 -5.404 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.344 -5.110 3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.729 -4.820 4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.510 -8.620 2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.362 -7.188 1.654 1.00 0.00 H new ATOM 1239 N GLU A 87 13.587 -2.980 1.194 1.00 0.00 N ATOM 1240 CA GLU A 87 13.116 -1.610 1.175 1.00 0.00 C ATOM 1241 C GLU A 87 11.789 -1.590 0.440 1.00 0.00 C ATOM 1242 O GLU A 87 11.551 -2.440 -0.420 1.00 0.00 O ATOM 1243 CB GLU A 87 14.132 -0.672 0.510 1.00 0.00 C ATOM 1244 CG GLU A 87 14.335 -0.918 -0.973 1.00 0.00 C ATOM 1245 CD GLU A 87 15.497 -0.131 -1.531 1.00 0.00 C ATOM 1246 OE1 GLU A 87 16.649 -0.418 -1.146 1.00 0.00 O ATOM 1247 OE2 GLU A 87 15.264 0.793 -2.337 1.00 0.00 O ATOM 0 H GLU A 87 13.042 -3.606 0.601 1.00 0.00 H new ATOM 0 HA GLU A 87 12.989 -1.248 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.805 0.358 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.091 -0.776 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.504 -1.981 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.426 -0.650 -1.511 1.00 0.00 H new ATOM 1252 N LEU A 88 10.911 -0.674 0.786 1.00 0.00 N ATOM 1253 CA LEU A 88 9.620 -0.623 0.132 1.00 0.00 C ATOM 1254 C LEU A 88 9.360 0.744 -0.472 1.00 0.00 C ATOM 1255 O LEU A 88 9.455 1.765 0.203 1.00 0.00 O ATOM 1256 CB LEU A 88 8.491 -0.978 1.100 1.00 0.00 C ATOM 1257 CG LEU A 88 7.099 -1.002 0.463 1.00 0.00 C ATOM 1258 CD1 LEU A 88 6.961 -2.180 -0.483 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.018 -1.038 1.529 1.00 0.00 C ATOM 0 H LEU A 88 11.062 0.035 1.504 1.00 0.00 H new ATOM 0 HA LEU A 88 9.641 -1.362 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.695 -1.956 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.491 -0.259 1.919 1.00 0.00 H new ATOM 0 HG LEU A 88 6.975 -0.086 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.964 -2.177 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.708 -2.102 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.112 -3.108 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.038 -1.055 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.140 -1.932 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.100 -0.153 2.160 1.00 0.00 H new ATOM 1270 N ILE A 89 8.890 0.733 -1.699 1.00 0.00 N ATOM 1271 CA ILE A 89 8.415 1.934 -2.349 1.00 0.00 C ATOM 1272 C ILE A 89 6.914 1.772 -2.550 1.00 0.00 C ATOM 1273 O ILE A 89 6.411 0.650 -2.525 1.00 0.00 O ATOM 1274 CB ILE A 89 9.113 2.167 -3.716 1.00 0.00 C ATOM 1275 CG1 ILE A 89 10.625 1.912 -3.614 1.00 0.00 C ATOM 1276 CG2 ILE A 89 8.849 3.582 -4.217 1.00 0.00 C ATOM 1277 CD1 ILE A 89 11.345 2.837 -2.656 1.00 0.00 C ATOM 0 H ILE A 89 8.826 -0.107 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 89 8.643 2.801 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 89 8.695 1.458 -4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 89 10.788 0.881 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.068 2.016 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.346 3.727 -5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.776 3.731 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.236 4.302 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.407 2.591 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.215 3.869 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.932 2.717 -1.655 1.00 0.00 H new ATOM 1288 N GLN A 90 6.188 2.860 -2.676 1.00 0.00 N ATOM 1289 CA GLN A 90 4.747 2.773 -2.843 1.00 0.00 C ATOM 1290 C GLN A 90 4.277 3.811 -3.846 1.00 0.00 C ATOM 1291 O GLN A 90 4.407 5.012 -3.610 1.00 0.00 O ATOM 1292 CB GLN A 90 4.060 2.986 -1.498 1.00 0.00 C ATOM 1293 CG GLN A 90 2.550 2.826 -1.541 1.00 0.00 C ATOM 1294 CD GLN A 90 1.898 3.062 -0.189 1.00 0.00 C ATOM 1295 OE1 GLN A 90 0.676 3.032 -0.065 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.709 3.298 0.832 1.00 0.00 N ATOM 0 H GLN A 90 6.563 3.809 -2.667 1.00 0.00 H new ATOM 0 HA GLN A 90 4.488 1.783 -3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.469 2.278 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.299 3.986 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.135 3.525 -2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.305 1.822 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.719 3.315 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.324 3.463 1.762 1.00 0.00 H new ATOM 1303 N THR A 91 3.824 3.346 -5.000 1.00 0.00 N ATOM 1304 CA THR A 91 3.423 4.239 -6.072 1.00 0.00 C ATOM 1305 C THR A 91 1.912 4.281 -6.225 1.00 0.00 C ATOM 1306 O THR A 91 1.272 3.247 -6.413 1.00 0.00 O ATOM 1307 CB THR A 91 4.026 3.801 -7.417 1.00 0.00 C ATOM 1308 OG1 THR A 91 5.287 3.159 -7.199 1.00 0.00 O ATOM 1309 CG2 THR A 91 4.218 4.994 -8.343 1.00 0.00 C ATOM 0 H THR A 91 3.725 2.354 -5.217 1.00 0.00 H new ATOM 0 HA THR A 91 3.793 5.228 -5.803 1.00 0.00 H new ATOM 0 HB THR A 91 3.334 3.103 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.867 3.306 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.646 4.657 -9.287 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.255 5.468 -8.530 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.891 5.713 -7.876 1.00 0.00 H new ATOM 1317 N TYR A 92 1.380 5.485 -6.303 1.00 0.00 N ATOM 1318 CA TYR A 92 -0.021 5.691 -6.610 1.00 0.00 C ATOM 1319 C TYR A 92 -0.145 6.133 -8.058 1.00 0.00 C ATOM 1320 O TYR A 92 0.299 7.221 -8.430 1.00 0.00 O ATOM 1321 CB TYR A 92 -0.642 6.747 -5.687 1.00 0.00 C ATOM 1322 CG TYR A 92 -0.697 6.352 -4.224 1.00 0.00 C ATOM 1323 CD1 TYR A 92 0.465 6.209 -3.474 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -1.914 6.121 -3.597 1.00 0.00 C ATOM 1325 CE1 TYR A 92 0.413 5.848 -2.142 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -1.973 5.760 -2.266 1.00 0.00 C ATOM 1327 CZ TYR A 92 -0.808 5.626 -1.543 1.00 0.00 C ATOM 1328 OH TYR A 92 -0.865 5.269 -0.214 1.00 0.00 O ATOM 0 H TYR A 92 1.906 6.346 -6.156 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.558 4.755 -6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.072 7.672 -5.779 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.654 6.961 -6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.423 6.383 -3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.830 6.225 -4.160 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.324 5.740 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.928 5.583 -1.794 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.317 4.470 -0.066 1.00 0.00 H new ATOM 1337 N THR A 93 -0.623 5.233 -8.892 1.00 0.00 N ATOM 1338 CA THR A 93 -0.727 5.480 -10.316 1.00 0.00 C ATOM 1339 C THR A 93 -2.173 5.754 -10.708 1.00 0.00 C ATOM 1340 O THR A 93 -3.092 5.086 -10.234 1.00 0.00 O ATOM 1341 CB THR A 93 -0.205 4.273 -11.112 1.00 0.00 C ATOM 1342 OG1 THR A 93 1.071 3.873 -10.593 1.00 0.00 O ATOM 1343 CG2 THR A 93 -0.079 4.607 -12.591 1.00 0.00 C ATOM 0 H THR A 93 -0.950 4.311 -8.603 1.00 0.00 H new ATOM 0 HA THR A 93 -0.120 6.355 -10.550 1.00 0.00 H new ATOM 0 HB THR A 93 -0.918 3.455 -11.008 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.403 3.102 -11.099 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.292 3.736 -13.130 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.056 4.889 -12.985 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.617 5.436 -12.719 1.00 0.00 H new ATOM 1351 N TYR A 94 -2.372 6.751 -11.549 1.00 0.00 N ATOM 1352 CA TYR A 94 -3.702 7.121 -11.993 1.00 0.00 C ATOM 1353 C TYR A 94 -3.627 7.955 -13.264 1.00 0.00 C ATOM 1354 O TYR A 94 -2.846 8.906 -13.331 1.00 0.00 O ATOM 1355 CB TYR A 94 -4.432 7.916 -10.901 1.00 0.00 C ATOM 1356 CG TYR A 94 -5.703 8.562 -11.398 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -6.821 7.797 -11.705 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -5.762 9.932 -11.616 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -7.963 8.383 -12.214 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -6.903 10.524 -12.115 1.00 0.00 C ATOM 1361 CZ TYR A 94 -7.997 9.746 -12.413 1.00 0.00 C ATOM 1362 OH TYR A 94 -9.126 10.334 -12.928 1.00 0.00 O ATOM 0 H TYR A 94 -1.624 7.323 -11.941 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.257 6.205 -12.199 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.669 7.251 -10.071 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.766 8.687 -10.512 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.797 6.729 -11.543 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.901 10.544 -11.391 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.824 7.777 -12.455 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.937 11.592 -12.271 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.985 11.301 -13.005 1.00 0.00 H new ATOM 1371 N GLU A 95 -4.498 7.635 -14.227 1.00 0.00 N ATOM 1372 CA GLU A 95 -4.643 8.400 -15.470 1.00 0.00 C ATOM 1373 C GLU A 95 -3.390 8.325 -16.348 1.00 0.00 C ATOM 1374 O GLU A 95 -3.401 7.678 -17.393 1.00 0.00 O ATOM 1375 CB GLU A 95 -4.997 9.853 -15.143 1.00 0.00 C ATOM 1376 CG GLU A 95 -5.230 10.731 -16.357 1.00 0.00 C ATOM 1377 CD GLU A 95 -5.677 12.120 -15.970 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -6.828 12.276 -15.503 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -4.867 13.061 -16.097 1.00 0.00 O ATOM 0 H GLU A 95 -5.126 6.833 -14.166 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.453 7.953 -16.046 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.894 9.865 -14.524 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.193 10.284 -14.547 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.312 10.795 -16.941 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.983 10.272 -16.997 1.00 0.00 H new ATOM 1384 N GLY A 96 -2.314 8.952 -15.900 1.00 0.00 N ATOM 1385 CA GLY A 96 -1.065 8.916 -16.635 1.00 0.00 C ATOM 1386 C GLY A 96 0.068 9.517 -15.835 1.00 0.00 C ATOM 1387 O GLY A 96 1.047 10.015 -16.396 1.00 0.00 O ATOM 0 H GLY A 96 -2.283 9.490 -15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.823 7.885 -16.892 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.178 9.460 -17.573 1.00 0.00 H new ATOM 1391 N VAL A 97 -0.046 9.424 -14.517 1.00 0.00 N ATOM 1392 CA VAL A 97 0.982 9.917 -13.611 1.00 0.00 C ATOM 1393 C VAL A 97 1.172 8.954 -12.450 1.00 0.00 C ATOM 1394 O VAL A 97 0.231 8.267 -12.038 1.00 0.00 O ATOM 1395 CB VAL A 97 0.657 11.324 -13.055 1.00 0.00 C ATOM 1396 CG1 VAL A 97 0.917 12.394 -14.101 1.00 0.00 C ATOM 1397 CG2 VAL A 97 -0.783 11.400 -12.567 1.00 0.00 C ATOM 0 H VAL A 97 -0.850 9.007 -14.048 1.00 0.00 H new ATOM 0 HA VAL A 97 1.901 9.990 -14.193 1.00 0.00 H new ATOM 0 HB VAL A 97 1.316 11.505 -12.206 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.681 13.374 -13.686 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.966 12.368 -14.395 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.291 12.209 -14.974 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.984 12.400 -12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.459 11.187 -13.395 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.938 10.668 -11.775 1.00 0.00 H new ATOM 1407 N GLU A 98 2.397 8.878 -11.955 1.00 0.00 N ATOM 1408 CA GLU A 98 2.733 7.977 -10.864 1.00 0.00 C ATOM 1409 C GLU A 98 3.400 8.743 -9.725 1.00 0.00 C ATOM 1410 O GLU A 98 4.390 9.448 -9.928 1.00 0.00 O ATOM 1411 CB GLU A 98 3.668 6.868 -11.363 1.00 0.00 C ATOM 1412 CG GLU A 98 4.941 7.397 -12.009 1.00 0.00 C ATOM 1413 CD GLU A 98 5.991 6.330 -12.236 1.00 0.00 C ATOM 1414 OE1 GLU A 98 5.693 5.132 -12.046 1.00 0.00 O ATOM 1415 OE2 GLU A 98 7.128 6.689 -12.610 1.00 0.00 O ATOM 0 H GLU A 98 3.181 9.435 -12.295 1.00 0.00 H new ATOM 0 HA GLU A 98 1.812 7.527 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.935 6.224 -10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.134 6.249 -12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.690 7.858 -12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.361 8.180 -11.378 1.00 0.00 H new ATOM 1420 N ALA A 99 2.869 8.592 -8.527 1.00 0.00 N ATOM 1421 CA ALA A 99 3.447 9.231 -7.359 1.00 0.00 C ATOM 1422 C ALA A 99 3.933 8.172 -6.385 1.00 0.00 C ATOM 1423 O ALA A 99 3.135 7.399 -5.864 1.00 0.00 O ATOM 1424 CB ALA A 99 2.426 10.140 -6.693 1.00 0.00 C ATOM 0 H ALA A 99 2.038 8.032 -8.336 1.00 0.00 H new ATOM 0 HA ALA A 99 4.295 9.842 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.874 10.612 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.109 10.909 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.562 9.552 -6.384 1.00 0.00 H new ATOM 1430 N LYS A 100 5.234 8.106 -6.163 1.00 0.00 N ATOM 1431 CA LYS A 100 5.779 7.096 -5.272 1.00 0.00 C ATOM 1432 C LYS A 100 6.518 7.717 -4.104 1.00 0.00 C ATOM 1433 O LYS A 100 7.322 8.636 -4.264 1.00 0.00 O ATOM 1434 CB LYS A 100 6.690 6.111 -6.012 1.00 0.00 C ATOM 1435 CG LYS A 100 7.749 6.757 -6.885 1.00 0.00 C ATOM 1436 CD LYS A 100 8.681 5.710 -7.480 1.00 0.00 C ATOM 1437 CE LYS A 100 9.549 6.289 -8.587 1.00 0.00 C ATOM 1438 NZ LYS A 100 8.748 6.634 -9.790 1.00 0.00 N ATOM 0 H LYS A 100 5.925 8.730 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 100 4.928 6.540 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.183 5.473 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.072 5.463 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.271 7.320 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.326 7.469 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.318 5.302 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.092 4.882 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.059 7.180 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.321 5.569 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.381 6.748 -10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.067 5.872 -9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.235 7.523 -9.622 1.00 0.00 H new ATOM 1448 N ARG A 101 6.270 7.154 -2.940 1.00 0.00 N ATOM 1449 CA ARG A 101 6.944 7.562 -1.723 1.00 0.00 C ATOM 1450 C ARG A 101 7.950 6.479 -1.341 1.00 0.00 C ATOM 1451 O ARG A 101 7.708 5.296 -1.598 1.00 0.00 O ATOM 1452 CB ARG A 101 5.911 7.797 -0.616 1.00 0.00 C ATOM 1453 CG ARG A 101 6.426 8.603 0.566 1.00 0.00 C ATOM 1454 CD ARG A 101 5.274 9.170 1.385 1.00 0.00 C ATOM 1455 NE ARG A 101 4.377 8.124 1.885 1.00 0.00 N ATOM 1456 CZ ARG A 101 3.213 8.367 2.494 1.00 0.00 C ATOM 1457 NH1 ARG A 101 2.762 9.609 2.600 1.00 0.00 N ATOM 1458 NH2 ARG A 101 2.490 7.363 2.979 1.00 0.00 N ATOM 0 H ARG A 101 5.595 6.400 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 101 7.481 8.499 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.050 8.312 -1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.558 6.831 -0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.049 7.970 1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 101 7.057 9.416 0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.674 9.735 2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.706 9.870 0.772 1.00 0.00 H new ATOM 0 HE ARG A 101 4.659 7.152 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.304 10.383 2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.873 9.791 3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.823 6.403 2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.602 7.552 3.443 1.00 0.00 H new ATOM 1469 N ILE A 102 9.135 6.891 -0.913 1.00 0.00 N ATOM 1470 CA ILE A 102 10.243 5.959 -0.738 1.00 0.00 C ATOM 1471 C ILE A 102 10.445 5.600 0.731 1.00 0.00 C ATOM 1472 O ILE A 102 10.489 6.475 1.595 1.00 0.00 O ATOM 1473 CB ILE A 102 11.566 6.539 -1.313 1.00 0.00 C ATOM 1474 CG1 ILE A 102 11.518 6.625 -2.847 1.00 0.00 C ATOM 1475 CG2 ILE A 102 12.761 5.704 -0.878 1.00 0.00 C ATOM 1476 CD1 ILE A 102 10.704 7.785 -3.382 1.00 0.00 C ATOM 0 H ILE A 102 9.355 7.860 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 102 9.983 5.055 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 102 11.679 7.547 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.537 6.706 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.105 5.695 -3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 102 13.674 6.131 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 102 12.825 5.700 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 102 12.642 4.682 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.723 7.771 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.674 7.697 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.128 8.723 -3.024 1.00 0.00 H new ATOM 1487 N PHE A 103 10.574 4.303 1.000 1.00 0.00 N ATOM 1488 CA PHE A 103 10.806 3.808 2.351 1.00 0.00 C ATOM 1489 C PHE A 103 11.882 2.725 2.321 1.00 0.00 C ATOM 1490 O PHE A 103 12.203 2.182 1.262 1.00 0.00 O ATOM 1491 CB PHE A 103 9.527 3.225 2.969 1.00 0.00 C ATOM 1492 CG PHE A 103 8.270 3.973 2.621 1.00 0.00 C ATOM 1493 CD1 PHE A 103 7.988 5.198 3.200 1.00 0.00 C ATOM 1494 CD2 PHE A 103 7.372 3.444 1.708 1.00 0.00 C ATOM 1495 CE1 PHE A 103 6.834 5.880 2.873 1.00 0.00 C ATOM 1496 CE2 PHE A 103 6.218 4.121 1.379 1.00 0.00 C ATOM 1497 CZ PHE A 103 5.948 5.340 1.962 1.00 0.00 C ATOM 0 H PHE A 103 10.521 3.571 0.291 1.00 0.00 H new ATOM 0 HA PHE A 103 11.129 4.650 2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.421 2.190 2.644 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.637 3.209 4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.677 5.624 3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.579 2.489 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 103 6.624 6.836 3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.527 3.697 0.666 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.044 5.873 1.707 1.00 0.00 H new ATOM 1506 N LYS A 104 12.407 2.391 3.486 1.00 0.00 N ATOM 1507 CA LYS A 104 13.414 1.346 3.607 1.00 0.00 C ATOM 1508 C LYS A 104 13.201 0.575 4.900 1.00 0.00 C ATOM 1509 O LYS A 104 12.596 1.099 5.830 1.00 0.00 O ATOM 1510 CB LYS A 104 14.832 1.939 3.541 1.00 0.00 C ATOM 1511 CG LYS A 104 15.020 3.256 4.298 1.00 0.00 C ATOM 1512 CD LYS A 104 14.874 3.095 5.804 1.00 0.00 C ATOM 1513 CE LYS A 104 15.220 4.381 6.536 1.00 0.00 C ATOM 1514 NZ LYS A 104 15.061 4.242 8.007 1.00 0.00 N ATOM 0 H LYS A 104 12.152 2.831 4.370 1.00 0.00 H new ATOM 0 HA LYS A 104 13.310 0.657 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.535 1.206 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 104 15.094 2.098 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.007 3.661 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.289 3.982 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.851 2.803 6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.524 2.291 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.248 4.664 6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.580 5.187 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.494 5.059 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.049 4.200 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.528 3.369 8.326 1.00 0.00 H new ATOM 1524 N LYS A 105 13.620 -0.683 4.930 1.00 0.00 N ATOM 1525 CA LYS A 105 13.419 -1.520 6.109 1.00 0.00 C ATOM 1526 C LYS A 105 14.069 -0.892 7.339 1.00 0.00 C ATOM 1527 O LYS A 105 15.241 -0.511 7.305 1.00 0.00 O ATOM 1528 CB LYS A 105 13.999 -2.922 5.891 1.00 0.00 C ATOM 1529 CG LYS A 105 13.837 -3.827 7.103 1.00 0.00 C ATOM 1530 CD LYS A 105 14.646 -5.104 6.972 1.00 0.00 C ATOM 1531 CE LYS A 105 14.619 -5.905 8.264 1.00 0.00 C ATOM 1532 NZ LYS A 105 15.138 -5.115 9.413 1.00 0.00 N ATOM 0 H LYS A 105 14.099 -1.146 4.157 1.00 0.00 H new ATOM 0 HA LYS A 105 12.344 -1.600 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 105 13.510 -3.382 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 105 15.058 -2.837 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 105 14.148 -3.291 8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.784 -4.077 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 105 14.247 -5.709 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 105 15.676 -4.860 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 105 13.598 -6.224 8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 105 15.217 -6.809 8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 15.344 -5.753 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 16.009 -4.622 9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 14.424 -4.417 9.705 1.00 0.00 H new ATOM 1542 N GLU A 106 13.334 -0.869 8.442 1.00 0.00 N ATOM 1543 CA GLU A 106 13.889 -0.418 9.701 1.00 0.00 C ATOM 1544 C GLU A 106 14.726 -1.536 10.303 1.00 0.00 C ATOM 1545 O GLU A 106 15.913 -1.300 10.598 1.00 0.00 O ATOM 1546 CB GLU A 106 12.775 0.006 10.665 1.00 0.00 C ATOM 1547 CG GLU A 106 13.283 0.449 12.027 1.00 0.00 C ATOM 1548 CD GLU A 106 12.189 1.004 12.917 1.00 0.00 C ATOM 1549 OE1 GLU A 106 11.225 0.270 13.227 1.00 0.00 O ATOM 1550 OE2 GLU A 106 12.294 2.182 13.320 1.00 0.00 O ATOM 1551 OXT GLU A 106 14.201 -2.661 10.443 1.00 0.00 O ATOM 0 H GLU A 106 12.356 -1.157 8.486 1.00 0.00 H new ATOM 0 HA GLU A 106 14.521 0.452 9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.208 0.821 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.085 -0.827 10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.754 -0.398 12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 106 14.053 1.208 11.892 1.00 0.00 H new TER 1556 GLU A 106