USER MOD reduce.3.24.130724 H: found=0, std=0, add=1134, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1129 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 16 SER OG : rot 20:sc= 1.13 USER MOD Set 1.2: A 147 HIS : no HD1:sc= 0.841 K(o=2,f=-2.6) USER MOD Set 2.1: A 22 TYR OH : rot 140:sc= 0.464 USER MOD Set 2.2: A 140 ASN : amide:sc= -0.172! K(o=0.29!,f=-0.8) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -154:sc= 1.06 (180deg=-0.327) USER MOD Set 3.2: A 12 GLN : amide:sc= 0.896 K(o=2,f=-5.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 93:sc= 1.14 USER MOD Single : A 13 LYS NZ :NH3+ 136:sc= -0.0999 (180deg=-1.83) USER MOD Single : A 15 THR OG1 : rot -70:sc= 0.714 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -160:sc= -0.0787 (180deg=-0.436) USER MOD Single : A 31 SER OG : rot 100:sc=-0.00051 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -72:sc= 1.72 USER MOD Single : A 44 GLN : amide:sc= -0.836 K(o=-0.84,f=-0.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.168 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0622) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 77 HIS : no HD1:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 79 THR OG1 : rot 172:sc= 1.08 USER MOD Single : A 81 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.048) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0444) USER MOD Single : A 92 TYR OH : rot 30:sc= 0 USER MOD Single : A 95 SER OG : rot -130:sc= -0.487 USER MOD Single : A 98 SER OG : rot -132:sc= 1.24 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 163:sc= -0.0227 (180deg=-0.272) USER MOD Single : A 111 TYR OH : rot 143:sc= 1.3 USER MOD Single : A 113 THR OG1 : rot -174:sc= 0.751 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.692 K(o=-0.69,f=-4!) USER MOD Single : A 120 TYR OH : rot -155:sc= -1.99! USER MOD Single : A 121 ASN : amide:sc= 1.28 K(o=1.3,f=-4.2!) USER MOD Single : A 127 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.5) USER MOD Single : A 132 THR OG1 : rot 76:sc= 0.0432 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.251 8.622 -6.171 1.00 63.22 N ATOM 2 CA GLY A 1 30.078 9.196 -7.512 1.00 31.34 C ATOM 3 C GLY A 1 28.596 9.338 -7.748 1.00 54.02 C ATOM 4 O GLY A 1 28.027 10.384 -7.443 1.00 12.02 O ATOM 0 H1 GLY A 1 31.265 8.508 -5.970 1.00 63.22 H new ATOM 0 H2 GLY A 1 29.827 9.257 -5.464 1.00 63.22 H new ATOM 0 H3 GLY A 1 29.783 7.694 -6.128 1.00 63.22 H new ATOM 0 HA2 GLY A 1 30.573 10.164 -7.583 1.00 31.34 H new ATOM 0 HA3 GLY A 1 30.528 8.552 -8.267 1.00 31.34 H new ATOM 8 N ALA A 2 27.961 8.254 -8.184 1.00 34.32 N ATOM 9 CA ALA A 2 26.611 7.949 -7.749 1.00 54.22 C ATOM 10 C ALA A 2 26.696 6.821 -6.714 1.00 5.35 C ATOM 11 O ALA A 2 27.778 6.264 -6.502 1.00 63.50 O ATOM 12 CB ALA A 2 25.757 7.575 -8.964 1.00 53.01 C ATOM 0 H ALA A 2 28.361 7.578 -8.835 1.00 34.32 H new ATOM 0 HA ALA A 2 26.132 8.809 -7.282 1.00 54.22 H new ATOM 0 HB1 ALA A 2 24.742 7.346 -8.639 1.00 53.01 H new ATOM 0 HB2 ALA A 2 25.734 8.411 -9.663 1.00 53.01 H new ATOM 0 HB3 ALA A 2 26.186 6.702 -9.456 1.00 53.01 H new ATOM 18 N GLU A 3 25.572 6.525 -6.072 1.00 51.42 N ATOM 19 CA GLU A 3 25.167 5.269 -5.446 1.00 72.22 C ATOM 20 C GLU A 3 23.675 5.433 -5.174 1.00 74.53 C ATOM 21 O GLU A 3 23.204 6.557 -4.960 1.00 65.12 O ATOM 22 CB GLU A 3 25.896 5.005 -4.115 1.00 61.00 C ATOM 23 CG GLU A 3 26.913 3.865 -4.237 1.00 53.24 C ATOM 24 CD GLU A 3 26.339 2.444 -4.328 1.00 32.43 C ATOM 25 OE1 GLU A 3 25.140 2.246 -4.622 1.00 25.34 O ATOM 26 OE2 GLU A 3 27.147 1.508 -4.115 1.00 32.15 O ATOM 0 H GLU A 3 24.845 7.232 -5.965 1.00 51.42 H new ATOM 0 HA GLU A 3 25.408 4.427 -6.095 1.00 72.22 H new ATOM 0 HB2 GLU A 3 26.406 5.913 -3.794 1.00 61.00 H new ATOM 0 HB3 GLU A 3 25.166 4.759 -3.344 1.00 61.00 H new ATOM 0 HG2 GLU A 3 27.523 4.044 -5.123 1.00 53.24 H new ATOM 0 HG3 GLU A 3 27.580 3.909 -3.376 1.00 53.24 H new ATOM 33 N GLU A 4 22.924 4.341 -5.146 1.00 71.34 N ATOM 34 CA GLU A 4 21.490 4.390 -4.897 1.00 10.14 C ATOM 35 C GLU A 4 21.215 4.071 -3.428 1.00 2.24 C ATOM 36 O GLU A 4 22.150 3.840 -2.650 1.00 42.12 O ATOM 37 CB GLU A 4 20.737 3.486 -5.875 1.00 53.32 C ATOM 38 CG GLU A 4 21.025 3.821 -7.353 1.00 73.54 C ATOM 39 CD GLU A 4 21.890 2.782 -8.062 1.00 24.35 C ATOM 40 OE1 GLU A 4 22.895 2.334 -7.468 1.00 12.34 O ATOM 41 OE2 GLU A 4 21.538 2.408 -9.204 1.00 1.21 O ATOM 0 H GLU A 4 23.289 3.400 -5.294 1.00 71.34 H new ATOM 0 HA GLU A 4 21.113 5.396 -5.079 1.00 10.14 H new ATOM 0 HB2 GLU A 4 21.009 2.448 -5.684 1.00 53.32 H new ATOM 0 HB3 GLU A 4 19.666 3.574 -5.691 1.00 53.32 H new ATOM 0 HG2 GLU A 4 20.079 3.917 -7.885 1.00 73.54 H new ATOM 0 HG3 GLU A 4 21.520 4.790 -7.406 1.00 73.54 H new ATOM 48 N GLU A 5 19.959 4.140 -2.991 1.00 50.52 N ATOM 49 CA GLU A 5 19.580 3.633 -1.684 1.00 44.53 C ATOM 50 C GLU A 5 19.543 2.087 -1.775 1.00 25.44 C ATOM 51 O GLU A 5 19.767 1.510 -2.841 1.00 74.23 O ATOM 52 CB GLU A 5 18.244 4.292 -1.315 1.00 54.52 C ATOM 53 CG GLU A 5 17.954 4.441 0.189 1.00 5.51 C ATOM 54 CD GLU A 5 18.978 5.296 0.970 1.00 30.41 C ATOM 55 OE1 GLU A 5 19.537 6.258 0.414 1.00 34.33 O ATOM 56 OE2 GLU A 5 19.261 4.993 2.160 1.00 34.12 O ATOM 0 H GLU A 5 19.190 4.543 -3.527 1.00 50.52 H new ATOM 0 HA GLU A 5 20.283 3.876 -0.887 1.00 44.53 H new ATOM 0 HB2 GLU A 5 18.213 5.282 -1.770 1.00 54.52 H new ATOM 0 HB3 GLU A 5 17.439 3.710 -1.763 1.00 54.52 H new ATOM 0 HG2 GLU A 5 16.965 4.884 0.311 1.00 5.51 H new ATOM 0 HG3 GLU A 5 17.916 3.448 0.637 1.00 5.51 H new ATOM 63 N ASP A 6 19.240 1.390 -0.682 1.00 70.43 N ATOM 64 CA ASP A 6 19.242 -0.081 -0.578 1.00 21.05 C ATOM 65 C ASP A 6 17.821 -0.570 -0.303 1.00 70.02 C ATOM 66 O ASP A 6 17.135 -0.005 0.542 1.00 50.41 O ATOM 67 CB ASP A 6 20.225 -0.523 0.524 1.00 3.55 C ATOM 68 CG ASP A 6 19.873 -1.823 1.264 1.00 14.54 C ATOM 69 OD1 ASP A 6 19.398 -2.816 0.681 1.00 50.34 O ATOM 70 OD2 ASP A 6 19.992 -1.826 2.514 1.00 30.35 O ATOM 0 H ASP A 6 18.975 1.844 0.192 1.00 70.43 H new ATOM 0 HA ASP A 6 19.576 -0.525 -1.516 1.00 21.05 H new ATOM 0 HB2 ASP A 6 21.212 -0.640 0.076 1.00 3.55 H new ATOM 0 HB3 ASP A 6 20.301 0.279 1.258 1.00 3.55 H new ATOM 75 N PHE A 7 17.370 -1.615 -0.996 1.00 14.24 N ATOM 76 CA PHE A 7 16.049 -2.225 -0.890 1.00 51.51 C ATOM 77 C PHE A 7 15.671 -2.634 0.543 1.00 2.14 C ATOM 78 O PHE A 7 14.490 -2.637 0.879 1.00 5.12 O ATOM 79 CB PHE A 7 15.938 -3.408 -1.858 1.00 42.21 C ATOM 80 CG PHE A 7 16.790 -4.616 -1.515 1.00 50.40 C ATOM 81 CD1 PHE A 7 18.135 -4.676 -1.922 1.00 43.20 C ATOM 82 CD2 PHE A 7 16.229 -5.699 -0.813 1.00 2.44 C ATOM 83 CE1 PHE A 7 18.896 -5.828 -1.674 1.00 63.24 C ATOM 84 CE2 PHE A 7 16.998 -6.846 -0.550 1.00 54.50 C ATOM 85 CZ PHE A 7 18.325 -6.920 -1.000 1.00 24.05 C ATOM 0 H PHE A 7 17.954 -2.085 -1.688 1.00 14.24 H new ATOM 0 HA PHE A 7 15.325 -1.460 -1.171 1.00 51.51 H new ATOM 0 HB2 PHE A 7 14.895 -3.722 -1.902 1.00 42.21 H new ATOM 0 HB3 PHE A 7 16.210 -3.065 -2.856 1.00 42.21 H new ATOM 0 HD1 PHE A 7 18.583 -3.833 -2.427 1.00 43.20 H new ATOM 0 HD2 PHE A 7 15.204 -5.649 -0.475 1.00 2.44 H new ATOM 0 HE1 PHE A 7 19.924 -5.875 -2.002 1.00 63.24 H new ATOM 0 HE2 PHE A 7 16.567 -7.671 -0.001 1.00 54.50 H new ATOM 0 HZ PHE A 7 18.906 -7.814 -0.829 1.00 24.05 H new ATOM 95 N LYS A 8 16.632 -2.908 1.430 1.00 43.11 N ATOM 96 CA LYS A 8 16.365 -3.034 2.865 1.00 65.01 C ATOM 97 C LYS A 8 16.324 -1.648 3.509 1.00 50.30 C ATOM 98 O LYS A 8 15.366 -1.303 4.197 1.00 64.43 O ATOM 99 CB LYS A 8 17.411 -3.968 3.494 1.00 21.35 C ATOM 100 CG LYS A 8 17.458 -3.915 5.027 1.00 62.42 C ATOM 101 CD LYS A 8 18.484 -4.924 5.571 1.00 10.44 C ATOM 102 CE LYS A 8 19.044 -4.548 6.949 1.00 23.05 C ATOM 103 NZ LYS A 8 19.806 -3.281 6.910 1.00 34.35 N ATOM 0 H LYS A 8 17.610 -3.048 1.176 1.00 43.11 H new ATOM 0 HA LYS A 8 15.388 -3.484 3.039 1.00 65.01 H new ATOM 0 HB2 LYS A 8 17.202 -4.992 3.183 1.00 21.35 H new ATOM 0 HB3 LYS A 8 18.395 -3.710 3.102 1.00 21.35 H new ATOM 0 HG2 LYS A 8 17.720 -2.909 5.354 1.00 62.42 H new ATOM 0 HG3 LYS A 8 16.471 -4.135 5.435 1.00 62.42 H new ATOM 0 HD2 LYS A 8 18.017 -5.907 5.634 1.00 10.44 H new ATOM 0 HD3 LYS A 8 19.309 -5.008 4.863 1.00 10.44 H new ATOM 0 HE2 LYS A 8 18.224 -4.456 7.661 1.00 23.05 H new ATOM 0 HE3 LYS A 8 19.690 -5.349 7.309 1.00 23.05 H new ATOM 0 HZ1 LYS A 8 20.508 -3.274 7.677 1.00 34.35 H new ATOM 0 HZ2 LYS A 8 20.293 -3.197 5.995 1.00 34.35 H new ATOM 0 HZ3 LYS A 8 19.154 -2.480 7.031 1.00 34.35 H new ATOM 117 N THR A 9 17.376 -0.852 3.355 1.00 45.53 N ATOM 118 CA THR A 9 17.532 0.412 4.073 1.00 3.42 C ATOM 119 C THR A 9 16.437 1.432 3.756 1.00 71.11 C ATOM 120 O THR A 9 15.976 2.133 4.663 1.00 4.21 O ATOM 121 CB THR A 9 18.919 0.989 3.778 1.00 61.23 C ATOM 122 OG1 THR A 9 19.865 0.054 4.222 1.00 62.34 O ATOM 123 CG2 THR A 9 19.171 2.296 4.536 1.00 64.10 C ATOM 0 H THR A 9 18.150 -1.065 2.726 1.00 45.53 H new ATOM 0 HA THR A 9 17.432 0.198 5.137 1.00 3.42 H new ATOM 0 HB THR A 9 18.990 1.192 2.709 1.00 61.23 H new ATOM 0 HG1 THR A 9 20.116 -0.535 3.480 1.00 62.34 H new ATOM 0 HG21 THR A 9 20.167 2.669 4.297 1.00 64.10 H new ATOM 0 HG22 THR A 9 18.426 3.036 4.243 1.00 64.10 H new ATOM 0 HG23 THR A 9 19.100 2.114 5.608 1.00 64.10 H new ATOM 131 N PHE A 10 16.007 1.535 2.496 1.00 10.51 N ATOM 132 CA PHE A 10 14.971 2.481 2.118 1.00 71.34 C ATOM 133 C PHE A 10 13.685 2.050 2.830 1.00 10.24 C ATOM 134 O PHE A 10 12.900 2.905 3.221 1.00 71.02 O ATOM 135 CB PHE A 10 14.762 2.545 0.589 1.00 70.41 C ATOM 136 CG PHE A 10 13.622 1.707 0.030 1.00 70.23 C ATOM 137 CD1 PHE A 10 13.688 0.305 0.000 1.00 44.50 C ATOM 138 CD2 PHE A 10 12.433 2.346 -0.370 1.00 25.43 C ATOM 139 CE1 PHE A 10 12.582 -0.453 -0.421 1.00 34.02 C ATOM 140 CE2 PHE A 10 11.336 1.592 -0.813 1.00 54.43 C ATOM 141 CZ PHE A 10 11.406 0.190 -0.842 1.00 4.33 C ATOM 0 H PHE A 10 16.365 0.972 1.725 1.00 10.51 H new ATOM 0 HA PHE A 10 15.266 3.487 2.417 1.00 71.34 H new ATOM 0 HB2 PHE A 10 14.591 3.585 0.310 1.00 70.41 H new ATOM 0 HB3 PHE A 10 15.687 2.232 0.104 1.00 70.41 H new ATOM 0 HD1 PHE A 10 14.596 -0.195 0.303 1.00 44.50 H new ATOM 0 HD2 PHE A 10 12.365 3.423 -0.336 1.00 25.43 H new ATOM 0 HE1 PHE A 10 12.636 -1.532 -0.421 1.00 34.02 H new ATOM 0 HE2 PHE A 10 10.434 2.092 -1.133 1.00 54.43 H new ATOM 0 HZ PHE A 10 10.562 -0.390 -1.185 1.00 4.33 H new ATOM 151 N LEU A 11 13.497 0.739 3.024 1.00 72.12 N ATOM 152 CA LEU A 11 12.334 0.129 3.631 1.00 2.53 C ATOM 153 C LEU A 11 12.306 0.463 5.114 1.00 11.51 C ATOM 154 O LEU A 11 11.315 1.029 5.551 1.00 65.33 O ATOM 155 CB LEU A 11 12.347 -1.385 3.377 1.00 43.22 C ATOM 156 CG LEU A 11 10.949 -2.013 3.319 1.00 5.24 C ATOM 157 CD1 LEU A 11 10.183 -1.589 2.060 1.00 25.04 C ATOM 158 CD2 LEU A 11 11.118 -3.531 3.320 1.00 72.01 C ATOM 0 H LEU A 11 14.195 0.050 2.743 1.00 72.12 H new ATOM 0 HA LEU A 11 11.423 0.525 3.183 1.00 2.53 H new ATOM 0 HB2 LEU A 11 12.863 -1.582 2.438 1.00 43.22 H new ATOM 0 HB3 LEU A 11 12.922 -1.872 4.165 1.00 43.22 H new ATOM 0 HG LEU A 11 10.374 -1.674 4.180 1.00 5.24 H new ATOM 0 HD11 LEU A 11 9.198 -2.056 2.059 1.00 25.04 H new ATOM 0 HD12 LEU A 11 10.070 -0.505 2.050 1.00 25.04 H new ATOM 0 HD13 LEU A 11 10.735 -1.904 1.175 1.00 25.04 H new ATOM 0 HD21 LEU A 11 10.138 -4.006 3.279 1.00 72.01 H new ATOM 0 HD22 LEU A 11 11.704 -3.832 2.452 1.00 72.01 H new ATOM 0 HD23 LEU A 11 11.633 -3.839 4.230 1.00 72.01 H new ATOM 170 N GLN A 12 13.399 0.221 5.856 1.00 71.30 N ATOM 171 CA GLN A 12 13.538 0.603 7.269 1.00 70.22 C ATOM 172 C GLN A 12 13.121 2.061 7.488 1.00 33.31 C ATOM 173 O GLN A 12 12.406 2.373 8.436 1.00 12.32 O ATOM 174 CB GLN A 12 14.993 0.409 7.750 1.00 52.24 C ATOM 175 CG GLN A 12 15.418 -1.062 7.785 1.00 11.52 C ATOM 176 CD GLN A 12 16.879 -1.269 8.180 1.00 5.31 C ATOM 177 OE1 GLN A 12 17.757 -1.338 7.317 1.00 54.21 O ATOM 178 NE2 GLN A 12 17.201 -1.437 9.456 1.00 41.32 N ATOM 0 H GLN A 12 14.223 -0.253 5.485 1.00 71.30 H new ATOM 0 HA GLN A 12 12.880 -0.045 7.849 1.00 70.22 H new ATOM 0 HB2 GLN A 12 15.664 0.960 7.092 1.00 52.24 H new ATOM 0 HB3 GLN A 12 15.101 0.837 8.747 1.00 52.24 H new ATOM 0 HG2 GLN A 12 14.781 -1.599 8.488 1.00 11.52 H new ATOM 0 HG3 GLN A 12 15.250 -1.503 6.802 1.00 11.52 H new ATOM 0 HE21 GLN A 12 16.480 -1.381 10.175 1.00 41.32 H new ATOM 0 HE22 GLN A 12 18.169 -1.622 9.718 1.00 41.32 H new ATOM 187 N LYS A 13 13.557 2.955 6.595 1.00 54.33 N ATOM 188 CA LYS A 13 13.145 4.352 6.614 1.00 24.01 C ATOM 189 C LYS A 13 11.646 4.452 6.365 1.00 3.40 C ATOM 190 O LYS A 13 10.955 5.081 7.164 1.00 23.32 O ATOM 191 CB LYS A 13 13.943 5.148 5.572 1.00 65.05 C ATOM 192 CG LYS A 13 15.380 5.362 6.044 1.00 2.15 C ATOM 193 CD LYS A 13 16.237 5.947 4.916 1.00 4.13 C ATOM 194 CE LYS A 13 17.646 6.302 5.399 1.00 12.51 C ATOM 195 NZ LYS A 13 18.309 5.164 6.065 1.00 12.14 N ATOM 0 H LYS A 13 14.205 2.726 5.841 1.00 54.33 H new ATOM 0 HA LYS A 13 13.353 4.781 7.594 1.00 24.01 H new ATOM 0 HB2 LYS A 13 13.942 4.615 4.621 1.00 65.05 H new ATOM 0 HB3 LYS A 13 13.464 6.112 5.398 1.00 65.05 H new ATOM 0 HG2 LYS A 13 15.390 6.034 6.902 1.00 2.15 H new ATOM 0 HG3 LYS A 13 15.804 4.415 6.376 1.00 2.15 H new ATOM 0 HD2 LYS A 13 16.303 5.228 4.099 1.00 4.13 H new ATOM 0 HD3 LYS A 13 15.754 6.839 4.517 1.00 4.13 H new ATOM 0 HE2 LYS A 13 18.249 6.626 4.550 1.00 12.51 H new ATOM 0 HE3 LYS A 13 17.590 7.143 6.090 1.00 12.51 H new ATOM 0 HZ1 LYS A 13 19.292 5.093 5.734 1.00 12.14 H new ATOM 0 HZ2 LYS A 13 18.300 5.311 7.095 1.00 12.14 H new ATOM 0 HZ3 LYS A 13 17.803 4.285 5.836 1.00 12.14 H new ATOM 209 N PHE A 14 11.182 3.882 5.250 1.00 31.24 N ATOM 210 CA PHE A 14 9.824 3.936 4.722 1.00 23.03 C ATOM 211 C PHE A 14 8.767 3.347 5.666 1.00 51.33 C ATOM 212 O PHE A 14 7.583 3.651 5.491 1.00 44.42 O ATOM 213 CB PHE A 14 9.799 3.243 3.350 1.00 45.43 C ATOM 214 CG PHE A 14 8.530 3.418 2.539 1.00 2.44 C ATOM 215 CD1 PHE A 14 8.075 4.711 2.217 1.00 64.31 C ATOM 216 CD2 PHE A 14 7.821 2.294 2.076 1.00 32.01 C ATOM 217 CE1 PHE A 14 6.892 4.882 1.477 1.00 23.20 C ATOM 218 CE2 PHE A 14 6.652 2.467 1.315 1.00 64.14 C ATOM 219 CZ PHE A 14 6.174 3.759 1.040 1.00 72.34 C ATOM 0 H PHE A 14 11.795 3.330 4.650 1.00 31.24 H new ATOM 0 HA PHE A 14 9.551 4.986 4.620 1.00 23.03 H new ATOM 0 HB2 PHE A 14 10.637 3.616 2.761 1.00 45.43 H new ATOM 0 HB3 PHE A 14 9.966 2.176 3.501 1.00 45.43 H new ATOM 0 HD1 PHE A 14 8.637 5.575 2.540 1.00 64.31 H new ATOM 0 HD2 PHE A 14 8.175 1.300 2.305 1.00 32.01 H new ATOM 0 HE1 PHE A 14 6.537 5.875 1.246 1.00 23.20 H new ATOM 0 HE2 PHE A 14 6.120 1.605 0.941 1.00 64.14 H new ATOM 0 HZ PHE A 14 5.253 3.888 0.491 1.00 72.34 H new ATOM 229 N THR A 15 9.158 2.538 6.648 1.00 10.33 N ATOM 230 CA THR A 15 8.262 1.884 7.590 1.00 31.13 C ATOM 231 C THR A 15 8.419 2.435 9.017 1.00 52.14 C ATOM 232 O THR A 15 7.934 1.812 9.962 1.00 41.20 O ATOM 233 CB THR A 15 8.452 0.358 7.476 1.00 34.23 C ATOM 234 OG1 THR A 15 9.781 -0.004 7.789 1.00 44.43 O ATOM 235 CG2 THR A 15 8.121 -0.146 6.069 1.00 65.24 C ATOM 0 H THR A 15 10.139 2.314 6.813 1.00 10.33 H new ATOM 0 HA THR A 15 7.226 2.108 7.335 1.00 31.13 H new ATOM 0 HB THR A 15 7.766 -0.103 8.187 1.00 34.23 H new ATOM 0 HG1 THR A 15 10.381 0.306 7.079 1.00 44.43 H new ATOM 0 HG21 THR A 15 8.266 -1.225 6.026 1.00 65.24 H new ATOM 0 HG22 THR A 15 7.084 0.090 5.833 1.00 65.24 H new ATOM 0 HG23 THR A 15 8.777 0.338 5.346 1.00 65.24 H new ATOM 243 N SER A 16 9.072 3.593 9.206 1.00 3.40 N ATOM 244 CA SER A 16 9.331 4.149 10.536 1.00 44.25 C ATOM 245 C SER A 16 9.244 5.683 10.582 1.00 5.10 C ATOM 246 O SER A 16 9.717 6.277 11.550 1.00 11.34 O ATOM 247 CB SER A 16 10.687 3.590 11.028 1.00 73.34 C ATOM 248 OG SER A 16 10.878 3.710 12.432 1.00 73.40 O ATOM 0 H SER A 16 9.432 4.165 8.442 1.00 3.40 H new ATOM 0 HA SER A 16 8.544 3.835 11.221 1.00 44.25 H new ATOM 0 HB2 SER A 16 10.760 2.539 10.749 1.00 73.34 H new ATOM 0 HB3 SER A 16 11.494 4.113 10.514 1.00 73.34 H new ATOM 0 HG SER A 16 10.010 3.833 12.871 1.00 73.40 H new ATOM 254 N SER A 17 8.664 6.357 9.579 1.00 41.42 N ATOM 255 CA SER A 17 8.632 7.816 9.580 1.00 22.10 C ATOM 256 C SER A 17 7.545 8.347 8.650 1.00 74.23 C ATOM 257 O SER A 17 7.775 8.483 7.442 1.00 22.04 O ATOM 258 CB SER A 17 10.021 8.316 9.165 1.00 34.41 C ATOM 259 OG SER A 17 10.085 9.717 8.973 1.00 73.31 O ATOM 0 H SER A 17 8.219 5.919 8.772 1.00 41.42 H new ATOM 0 HA SER A 17 8.388 8.184 10.576 1.00 22.10 H new ATOM 0 HB2 SER A 17 10.744 8.029 9.928 1.00 34.41 H new ATOM 0 HB3 SER A 17 10.317 7.817 8.242 1.00 34.41 H new ATOM 0 HG SER A 17 10.995 9.970 8.712 1.00 73.31 H new ATOM 265 N ALA A 18 6.358 8.646 9.168 1.00 41.31 N ATOM 266 CA ALA A 18 5.199 8.976 8.351 1.00 32.40 C ATOM 267 C ALA A 18 5.444 10.140 7.388 1.00 30.44 C ATOM 268 O ALA A 18 5.027 10.064 6.231 1.00 45.11 O ATOM 269 CB ALA A 18 4.035 9.317 9.274 1.00 4.22 C ATOM 0 H ALA A 18 6.174 8.666 10.171 1.00 41.31 H new ATOM 0 HA ALA A 18 4.978 8.105 7.733 1.00 32.40 H new ATOM 0 HB1 ALA A 18 3.158 9.567 8.677 1.00 4.22 H new ATOM 0 HB2 ALA A 18 3.810 8.459 9.908 1.00 4.22 H new ATOM 0 HB3 ALA A 18 4.303 10.169 9.898 1.00 4.22 H new ATOM 275 N SER A 19 6.149 11.192 7.795 1.00 65.45 N ATOM 276 CA SER A 19 6.404 12.284 6.871 1.00 43.53 C ATOM 277 C SER A 19 7.463 11.903 5.821 1.00 62.04 C ATOM 278 O SER A 19 7.411 12.418 4.701 1.00 41.51 O ATOM 279 CB SER A 19 6.741 13.550 7.654 1.00 22.10 C ATOM 280 OG SER A 19 5.566 14.006 8.314 1.00 45.24 O ATOM 0 H SER A 19 6.542 11.308 8.729 1.00 65.45 H new ATOM 0 HA SER A 19 5.501 12.493 6.297 1.00 43.53 H new ATOM 0 HB2 SER A 19 7.527 13.346 8.381 1.00 22.10 H new ATOM 0 HB3 SER A 19 7.120 14.320 6.982 1.00 22.10 H new ATOM 0 HG SER A 19 5.771 14.819 8.822 1.00 45.24 H new ATOM 286 N PHE A 20 8.381 10.963 6.095 1.00 13.22 N ATOM 287 CA PHE A 20 9.278 10.433 5.068 1.00 24.23 C ATOM 288 C PHE A 20 8.496 9.614 4.042 1.00 21.24 C ATOM 289 O PHE A 20 8.699 9.840 2.847 1.00 72.42 O ATOM 290 CB PHE A 20 10.418 9.603 5.670 1.00 2.10 C ATOM 291 CG PHE A 20 11.359 8.979 4.651 1.00 74.44 C ATOM 292 CD1 PHE A 20 11.076 7.707 4.111 1.00 51.12 C ATOM 293 CD2 PHE A 20 12.530 9.651 4.255 1.00 24.23 C ATOM 294 CE1 PHE A 20 11.956 7.103 3.198 1.00 62.31 C ATOM 295 CE2 PHE A 20 13.409 9.049 3.338 1.00 63.42 C ATOM 296 CZ PHE A 20 13.129 7.774 2.816 1.00 71.02 C ATOM 0 H PHE A 20 8.518 10.557 7.021 1.00 13.22 H new ATOM 0 HA PHE A 20 9.733 11.285 4.563 1.00 24.23 H new ATOM 0 HB2 PHE A 20 10.999 10.239 6.338 1.00 2.10 H new ATOM 0 HB3 PHE A 20 9.988 8.809 6.280 1.00 2.10 H new ATOM 0 HD1 PHE A 20 10.173 7.192 4.403 1.00 51.12 H new ATOM 0 HD2 PHE A 20 12.753 10.629 4.655 1.00 24.23 H new ATOM 0 HE1 PHE A 20 11.732 6.128 2.792 1.00 62.31 H new ATOM 0 HE2 PHE A 20 14.305 9.569 3.033 1.00 63.42 H new ATOM 0 HZ PHE A 20 13.815 7.311 2.122 1.00 71.02 H new ATOM 306 N GLN A 21 7.637 8.673 4.469 1.00 73.04 N ATOM 307 CA GLN A 21 6.815 7.883 3.572 1.00 23.12 C ATOM 308 C GLN A 21 5.916 8.779 2.736 1.00 30.34 C ATOM 309 O GLN A 21 5.934 8.632 1.516 1.00 23.13 O ATOM 310 CB GLN A 21 6.098 6.731 4.293 1.00 45.31 C ATOM 311 CG GLN A 21 5.336 7.024 5.544 1.00 10.34 C ATOM 312 CD GLN A 21 5.479 5.897 6.575 1.00 1.34 C ATOM 313 OE1 GLN A 21 6.317 5.956 7.466 1.00 11.20 O ATOM 314 NE2 GLN A 21 4.750 4.817 6.460 1.00 42.35 N ATOM 0 H GLN A 21 7.502 8.447 5.454 1.00 73.04 H new ATOM 0 HA GLN A 21 7.466 7.374 2.861 1.00 23.12 H new ATOM 0 HB2 GLN A 21 5.405 6.279 3.583 1.00 45.31 H new ATOM 0 HB3 GLN A 21 6.847 5.976 4.533 1.00 45.31 H new ATOM 0 HG2 GLN A 21 5.692 7.959 5.976 1.00 10.34 H new ATOM 0 HG3 GLN A 21 4.282 7.165 5.303 1.00 10.34 H new ATOM 0 HE21 GLN A 21 4.048 4.752 5.723 1.00 42.35 H new ATOM 0 HE22 GLN A 21 4.884 4.040 7.107 1.00 42.35 H new ATOM 323 N TYR A 22 5.210 9.741 3.336 1.00 1.20 N ATOM 324 CA TYR A 22 4.356 10.672 2.602 1.00 50.22 C ATOM 325 C TYR A 22 5.073 11.328 1.420 1.00 42.51 C ATOM 326 O TYR A 22 4.598 11.233 0.283 1.00 73.25 O ATOM 327 CB TYR A 22 3.736 11.716 3.536 1.00 50.25 C ATOM 328 CG TYR A 22 2.364 11.309 4.031 1.00 51.13 C ATOM 329 CD1 TYR A 22 1.316 11.103 3.112 1.00 64.22 C ATOM 330 CD2 TYR A 22 2.139 11.091 5.399 1.00 10.34 C ATOM 331 CE1 TYR A 22 0.069 10.635 3.559 1.00 73.13 C ATOM 332 CE2 TYR A 22 0.903 10.609 5.847 1.00 30.24 C ATOM 333 CZ TYR A 22 -0.140 10.371 4.931 1.00 24.41 C ATOM 334 OH TYR A 22 -1.323 9.846 5.350 1.00 22.22 O ATOM 0 H TYR A 22 5.216 9.894 4.344 1.00 1.20 H new ATOM 0 HA TYR A 22 3.545 10.080 2.177 1.00 50.22 H new ATOM 0 HB2 TYR A 22 4.395 11.872 4.390 1.00 50.25 H new ATOM 0 HB3 TYR A 22 3.662 12.669 3.012 1.00 50.25 H new ATOM 0 HD1 TYR A 22 1.472 11.305 2.063 1.00 64.22 H new ATOM 0 HD2 TYR A 22 2.925 11.296 6.111 1.00 10.34 H new ATOM 0 HE1 TYR A 22 -0.732 10.477 2.852 1.00 73.13 H new ATOM 0 HE2 TYR A 22 0.749 10.419 6.899 1.00 30.24 H new ATOM 0 HH TYR A 22 -1.155 9.173 6.043 1.00 22.22 H new ATOM 344 N SER A 23 6.230 11.955 1.641 1.00 52.21 N ATOM 345 CA SER A 23 6.986 12.601 0.568 1.00 10.24 C ATOM 346 C SER A 23 7.626 11.624 -0.433 1.00 43.51 C ATOM 347 O SER A 23 8.365 12.077 -1.311 1.00 64.01 O ATOM 348 CB SER A 23 8.044 13.520 1.181 1.00 64.22 C ATOM 349 OG SER A 23 7.421 14.542 1.933 1.00 70.31 O ATOM 0 H SER A 23 6.666 12.029 2.560 1.00 52.21 H new ATOM 0 HA SER A 23 6.270 13.178 -0.018 1.00 10.24 H new ATOM 0 HB2 SER A 23 8.712 12.943 1.820 1.00 64.22 H new ATOM 0 HB3 SER A 23 8.657 13.959 0.393 1.00 64.22 H new ATOM 0 HG SER A 23 8.106 15.125 2.323 1.00 70.31 H new ATOM 355 N ARG A 24 7.381 10.313 -0.323 1.00 43.44 N ATOM 356 CA ARG A 24 7.911 9.274 -1.199 1.00 52.54 C ATOM 357 C ARG A 24 6.902 8.861 -2.265 1.00 52.24 C ATOM 358 O ARG A 24 7.254 8.044 -3.108 1.00 71.34 O ATOM 359 CB ARG A 24 8.273 8.046 -0.326 1.00 54.25 C ATOM 360 CG ARG A 24 9.566 7.305 -0.692 1.00 51.35 C ATOM 361 CD ARG A 24 10.797 8.217 -0.737 1.00 45.11 C ATOM 362 NE ARG A 24 10.848 9.188 0.374 1.00 72.42 N ATOM 363 CZ ARG A 24 11.185 10.480 0.271 1.00 10.34 C ATOM 364 NH1 ARG A 24 11.487 11.030 -0.902 1.00 25.13 N ATOM 365 NH2 ARG A 24 11.202 11.231 1.366 1.00 25.42 N ATOM 0 H ARG A 24 6.782 9.936 0.412 1.00 43.44 H new ATOM 0 HA ARG A 24 8.789 9.663 -1.715 1.00 52.54 H new ATOM 0 HB2 ARG A 24 8.349 8.374 0.711 1.00 54.25 H new ATOM 0 HB3 ARG A 24 7.447 7.336 -0.375 1.00 54.25 H new ATOM 0 HG2 ARG A 24 9.738 6.510 0.033 1.00 51.35 H new ATOM 0 HG3 ARG A 24 9.440 6.828 -1.664 1.00 51.35 H new ATOM 0 HD2 ARG A 24 11.697 7.602 -0.714 1.00 45.11 H new ATOM 0 HD3 ARG A 24 10.805 8.758 -1.683 1.00 45.11 H new ATOM 0 HE ARG A 24 10.605 8.844 1.303 1.00 72.42 H new ATOM 0 HH11 ARG A 24 11.465 10.465 -1.751 1.00 25.13 H new ATOM 0 HH12 ARG A 24 11.740 12.017 -0.952 1.00 25.13 H new ATOM 0 HH21 ARG A 24 10.961 10.822 2.269 1.00 25.42 H new ATOM 0 HH22 ARG A 24 11.457 12.217 1.304 1.00 25.42 H new ATOM 379 N ILE A 25 5.648 9.316 -2.213 1.00 71.25 N ATOM 380 CA ILE A 25 4.565 8.679 -2.959 1.00 11.04 C ATOM 381 C ILE A 25 4.118 9.617 -4.058 1.00 5.24 C ATOM 382 O ILE A 25 3.754 10.769 -3.817 1.00 44.34 O ATOM 383 CB ILE A 25 3.413 8.279 -2.025 1.00 14.40 C ATOM 384 CG1 ILE A 25 3.908 7.271 -0.964 1.00 44.32 C ATOM 385 CG2 ILE A 25 2.229 7.660 -2.793 1.00 22.22 C ATOM 386 CD1 ILE A 25 3.358 7.658 0.398 1.00 70.02 C ATOM 0 H ILE A 25 5.359 10.124 -1.661 1.00 71.25 H new ATOM 0 HA ILE A 25 4.919 7.754 -3.415 1.00 11.04 H new ATOM 0 HB ILE A 25 3.065 9.192 -1.542 1.00 14.40 H new ATOM 0 HG12 ILE A 25 3.585 6.263 -1.226 1.00 44.32 H new ATOM 0 HG13 ILE A 25 4.998 7.260 -0.938 1.00 44.32 H new ATOM 0 HG21 ILE A 25 1.439 7.393 -2.091 1.00 22.22 H new ATOM 0 HG22 ILE A 25 1.845 8.382 -3.513 1.00 22.22 H new ATOM 0 HG23 ILE A 25 2.564 6.766 -3.319 1.00 22.22 H new ATOM 0 HD11 ILE A 25 3.707 6.947 1.147 1.00 70.02 H new ATOM 0 HD12 ILE A 25 3.703 8.658 0.659 1.00 70.02 H new ATOM 0 HD13 ILE A 25 2.268 7.647 0.367 1.00 70.02 H new ATOM 398 N LYS A 26 4.131 9.095 -5.276 1.00 2.11 N ATOM 399 CA LYS A 26 3.690 9.768 -6.480 1.00 34.22 C ATOM 400 C LYS A 26 2.190 9.636 -6.506 1.00 1.33 C ATOM 401 O LYS A 26 1.630 8.745 -7.138 1.00 25.20 O ATOM 402 CB LYS A 26 4.339 9.131 -7.698 1.00 61.42 C ATOM 403 CG LYS A 26 5.862 9.145 -7.505 1.00 1.24 C ATOM 404 CD LYS A 26 6.581 9.942 -8.579 1.00 25.53 C ATOM 405 CE LYS A 26 7.639 10.841 -7.950 1.00 51.43 C ATOM 406 NZ LYS A 26 8.190 11.784 -8.942 1.00 43.42 N ATOM 0 H LYS A 26 4.465 8.148 -5.455 1.00 2.11 H new ATOM 0 HA LYS A 26 3.976 10.820 -6.494 1.00 34.22 H new ATOM 0 HB2 LYS A 26 3.983 8.109 -7.825 1.00 61.42 H new ATOM 0 HB3 LYS A 26 4.067 9.678 -8.601 1.00 61.42 H new ATOM 0 HG2 LYS A 26 6.096 9.566 -6.527 1.00 1.24 H new ATOM 0 HG3 LYS A 26 6.234 8.120 -7.508 1.00 1.24 H new ATOM 0 HD2 LYS A 26 7.048 9.264 -9.293 1.00 25.53 H new ATOM 0 HD3 LYS A 26 5.864 10.546 -9.135 1.00 25.53 H new ATOM 0 HE2 LYS A 26 7.203 11.396 -7.119 1.00 51.43 H new ATOM 0 HE3 LYS A 26 8.442 10.230 -7.539 1.00 51.43 H new ATOM 0 HZ1 LYS A 26 8.908 12.385 -8.489 1.00 43.42 H new ATOM 0 HZ2 LYS A 26 8.626 11.252 -9.722 1.00 43.42 H new ATOM 0 HZ3 LYS A 26 7.425 12.381 -9.316 1.00 43.42 H new ATOM 420 N PHE A 27 1.546 10.480 -5.718 1.00 71.24 N ATOM 421 CA PHE A 27 0.109 10.594 -5.843 1.00 62.51 C ATOM 422 C PHE A 27 -0.165 11.412 -7.115 1.00 45.21 C ATOM 423 O PHE A 27 0.637 12.292 -7.464 1.00 10.23 O ATOM 424 CB PHE A 27 -0.524 11.194 -4.577 1.00 11.03 C ATOM 425 CG PHE A 27 -0.085 12.611 -4.280 1.00 3.04 C ATOM 426 CD1 PHE A 27 -0.799 13.696 -4.821 1.00 62.22 C ATOM 427 CD2 PHE A 27 1.087 12.842 -3.534 1.00 52.21 C ATOM 428 CE1 PHE A 27 -0.308 15.001 -4.663 1.00 65.55 C ATOM 429 CE2 PHE A 27 1.576 14.150 -3.380 1.00 31.21 C ATOM 430 CZ PHE A 27 0.888 15.227 -3.964 1.00 44.32 C ATOM 0 H PHE A 27 1.978 11.075 -5.011 1.00 71.24 H new ATOM 0 HA PHE A 27 -0.359 9.614 -5.939 1.00 62.51 H new ATOM 0 HB2 PHE A 27 -1.609 11.175 -4.682 1.00 11.03 H new ATOM 0 HB3 PHE A 27 -0.276 10.562 -3.725 1.00 11.03 H new ATOM 0 HD1 PHE A 27 -1.722 13.525 -5.356 1.00 62.22 H new ATOM 0 HD2 PHE A 27 1.610 12.013 -3.080 1.00 52.21 H new ATOM 0 HE1 PHE A 27 -0.853 15.835 -5.081 1.00 65.55 H new ATOM 0 HE2 PHE A 27 2.479 14.327 -2.814 1.00 31.21 H new ATOM 0 HZ PHE A 27 1.280 16.229 -3.875 1.00 44.32 H new ATOM 440 N PRO A 28 -1.310 11.203 -7.777 1.00 2.30 N ATOM 441 CA PRO A 28 -2.183 10.034 -7.657 1.00 44.33 C ATOM 442 C PRO A 28 -1.587 8.796 -8.325 1.00 3.10 C ATOM 443 O PRO A 28 -0.686 8.870 -9.159 1.00 3.00 O ATOM 444 CB PRO A 28 -3.467 10.496 -8.356 1.00 21.41 C ATOM 445 CG PRO A 28 -2.992 11.447 -9.449 1.00 22.31 C ATOM 446 CD PRO A 28 -1.773 12.108 -8.821 1.00 64.41 C ATOM 0 HA PRO A 28 -2.341 9.727 -6.623 1.00 44.33 H new ATOM 0 HB2 PRO A 28 -4.015 9.652 -8.776 1.00 21.41 H new ATOM 0 HB3 PRO A 28 -4.139 10.997 -7.659 1.00 21.41 H new ATOM 0 HG2 PRO A 28 -2.735 10.914 -10.364 1.00 22.31 H new ATOM 0 HG3 PRO A 28 -3.758 12.177 -9.710 1.00 22.31 H new ATOM 0 HD2 PRO A 28 -0.994 12.274 -9.565 1.00 64.41 H new ATOM 0 HD3 PRO A 28 -2.030 13.082 -8.405 1.00 64.41 H new ATOM 454 N LEU A 29 -2.088 7.641 -7.892 1.00 23.10 N ATOM 455 CA LEU A 29 -1.571 6.336 -8.226 1.00 10.21 C ATOM 456 C LEU A 29 -2.262 5.768 -9.454 1.00 11.04 C ATOM 457 O LEU A 29 -3.019 6.459 -10.140 1.00 42.13 O ATOM 458 CB LEU A 29 -1.800 5.455 -7.002 1.00 5.31 C ATOM 459 CG LEU A 29 -0.966 5.848 -5.781 1.00 5.22 C ATOM 460 CD1 LEU A 29 0.566 5.937 -5.885 1.00 13.32 C ATOM 461 CD2 LEU A 29 -1.477 7.000 -4.996 1.00 31.13 C ATOM 0 H LEU A 29 -2.898 7.598 -7.274 1.00 23.10 H new ATOM 0 HA LEU A 29 -0.511 6.388 -8.474 1.00 10.21 H new ATOM 0 HB2 LEU A 29 -2.856 5.492 -6.734 1.00 5.31 H new ATOM 0 HB3 LEU A 29 -1.574 4.422 -7.265 1.00 5.31 H new ATOM 0 HG LEU A 29 -1.138 4.919 -5.238 1.00 5.22 H new ATOM 0 HD11 LEU A 29 0.980 6.229 -4.920 1.00 13.32 H new ATOM 0 HD12 LEU A 29 0.968 4.966 -6.173 1.00 13.32 H new ATOM 0 HD13 LEU A 29 0.837 6.679 -6.636 1.00 13.32 H new ATOM 0 HD21 LEU A 29 -0.810 7.192 -4.155 1.00 31.13 H new ATOM 0 HD22 LEU A 29 -1.521 7.883 -5.633 1.00 31.13 H new ATOM 0 HD23 LEU A 29 -2.475 6.772 -4.623 1.00 31.13 H new ATOM 473 N LYS A 30 -1.989 4.501 -9.739 1.00 44.33 N ATOM 474 CA LYS A 30 -2.373 3.820 -10.964 1.00 52.12 C ATOM 475 C LYS A 30 -3.491 2.792 -10.755 1.00 21.21 C ATOM 476 O LYS A 30 -4.128 2.375 -11.722 1.00 72.12 O ATOM 477 CB LYS A 30 -1.105 3.235 -11.557 1.00 4.01 C ATOM 478 CG LYS A 30 -0.137 4.340 -12.016 1.00 12.30 C ATOM 479 CD LYS A 30 0.846 3.849 -13.084 1.00 54.04 C ATOM 480 CE LYS A 30 1.550 5.007 -13.803 1.00 52.33 C ATOM 481 NZ LYS A 30 0.606 5.895 -14.524 1.00 43.22 N ATOM 0 H LYS A 30 -1.474 3.898 -9.097 1.00 44.33 H new ATOM 0 HA LYS A 30 -2.817 4.523 -11.668 1.00 52.12 H new ATOM 0 HB2 LYS A 30 -0.614 2.603 -10.817 1.00 4.01 H new ATOM 0 HB3 LYS A 30 -1.358 2.597 -12.403 1.00 4.01 H new ATOM 0 HG2 LYS A 30 -0.709 5.179 -12.411 1.00 12.30 H new ATOM 0 HG3 LYS A 30 0.421 4.711 -11.156 1.00 12.30 H new ATOM 0 HD2 LYS A 30 1.593 3.205 -12.619 1.00 54.04 H new ATOM 0 HD3 LYS A 30 0.312 3.242 -13.815 1.00 54.04 H new ATOM 0 HE2 LYS A 30 2.110 5.594 -13.075 1.00 52.33 H new ATOM 0 HE3 LYS A 30 2.274 4.603 -14.511 1.00 52.33 H new ATOM 0 HZ1 LYS A 30 1.122 6.435 -15.248 1.00 43.22 H new ATOM 0 HZ2 LYS A 30 -0.131 5.321 -14.981 1.00 43.22 H new ATOM 0 HZ3 LYS A 30 0.164 6.553 -13.850 1.00 43.22 H new ATOM 495 N SER A 31 -3.775 2.468 -9.500 1.00 70.33 N ATOM 496 CA SER A 31 -4.829 1.625 -8.978 1.00 1.31 C ATOM 497 C SER A 31 -6.009 2.519 -8.560 1.00 33.22 C ATOM 498 O SER A 31 -6.027 2.993 -7.416 1.00 13.14 O ATOM 499 CB SER A 31 -4.249 0.913 -7.758 1.00 42.31 C ATOM 500 OG SER A 31 -3.347 -0.094 -8.145 1.00 30.51 O ATOM 0 H SER A 31 -3.202 2.836 -8.740 1.00 70.33 H new ATOM 0 HA SER A 31 -5.182 0.902 -9.714 1.00 1.31 H new ATOM 0 HB2 SER A 31 -3.741 1.635 -7.118 1.00 42.31 H new ATOM 0 HB3 SER A 31 -5.056 0.477 -7.169 1.00 42.31 H new ATOM 0 HG SER A 31 -2.429 0.238 -8.059 1.00 30.51 H new ATOM 506 N PRO A 32 -6.946 2.878 -9.457 1.00 64.13 N ATOM 507 CA PRO A 32 -8.117 3.638 -9.054 1.00 25.24 C ATOM 508 C PRO A 32 -9.026 2.752 -8.186 1.00 44.35 C ATOM 509 O PRO A 32 -8.878 1.527 -8.148 1.00 13.23 O ATOM 510 CB PRO A 32 -8.779 4.067 -10.364 1.00 61.41 C ATOM 511 CG PRO A 32 -8.523 2.838 -11.233 1.00 3.30 C ATOM 512 CD PRO A 32 -7.106 2.436 -10.835 1.00 43.11 C ATOM 0 HA PRO A 32 -7.884 4.512 -8.446 1.00 25.24 H new ATOM 0 HB2 PRO A 32 -9.843 4.272 -10.241 1.00 61.41 H new ATOM 0 HB3 PRO A 32 -8.327 4.968 -10.779 1.00 61.41 H new ATOM 0 HG2 PRO A 32 -9.241 2.043 -11.032 1.00 3.30 H new ATOM 0 HG3 PRO A 32 -8.595 3.071 -12.295 1.00 3.30 H new ATOM 0 HD2 PRO A 32 -6.966 1.358 -10.920 1.00 43.11 H new ATOM 0 HD3 PRO A 32 -6.368 2.906 -11.485 1.00 43.11 H new ATOM 520 N ILE A 33 -9.964 3.378 -7.479 1.00 44.31 N ATOM 521 CA ILE A 33 -10.791 2.713 -6.482 1.00 63.11 C ATOM 522 C ILE A 33 -12.126 2.402 -7.163 1.00 4.14 C ATOM 523 O ILE A 33 -13.040 3.234 -7.178 1.00 31.51 O ATOM 524 CB ILE A 33 -10.844 3.584 -5.204 1.00 31.20 C ATOM 525 CG1 ILE A 33 -9.423 3.672 -4.591 1.00 42.04 C ATOM 526 CG2 ILE A 33 -11.843 3.029 -4.173 1.00 14.42 C ATOM 527 CD1 ILE A 33 -9.276 4.740 -3.507 1.00 5.30 C ATOM 0 H ILE A 33 -10.171 4.371 -7.585 1.00 44.31 H new ATOM 0 HA ILE A 33 -10.396 1.761 -6.128 1.00 63.11 H new ATOM 0 HB ILE A 33 -11.191 4.580 -5.479 1.00 31.20 H new ATOM 0 HG12 ILE A 33 -9.161 2.702 -4.168 1.00 42.04 H new ATOM 0 HG13 ILE A 33 -8.707 3.877 -5.387 1.00 42.04 H new ATOM 0 HG21 ILE A 33 -11.849 3.670 -3.291 1.00 14.42 H new ATOM 0 HG22 ILE A 33 -12.841 3.004 -4.610 1.00 14.42 H new ATOM 0 HG23 ILE A 33 -11.547 2.020 -3.886 1.00 14.42 H new ATOM 0 HD11 ILE A 33 -8.253 4.737 -3.130 1.00 5.30 H new ATOM 0 HD12 ILE A 33 -9.505 5.719 -3.928 1.00 5.30 H new ATOM 0 HD13 ILE A 33 -9.965 4.526 -2.690 1.00 5.30 H new ATOM 539 N ALA A 34 -12.201 1.229 -7.794 1.00 73.14 N ATOM 540 CA ALA A 34 -13.393 0.754 -8.488 1.00 61.32 C ATOM 541 C ALA A 34 -14.220 -0.022 -7.483 1.00 63.34 C ATOM 542 O ALA A 34 -13.702 -0.959 -6.877 1.00 50.13 O ATOM 543 CB ALA A 34 -13.034 -0.139 -9.677 1.00 63.33 C ATOM 0 H ALA A 34 -11.421 0.574 -7.836 1.00 73.14 H new ATOM 0 HA ALA A 34 -13.950 1.602 -8.886 1.00 61.32 H new ATOM 0 HB1 ALA A 34 -13.947 -0.474 -10.169 1.00 63.33 H new ATOM 0 HB2 ALA A 34 -12.426 0.424 -10.385 1.00 63.33 H new ATOM 0 HB3 ALA A 34 -12.473 -1.005 -9.325 1.00 63.33 H new ATOM 549 N LEU A 35 -15.478 0.365 -7.288 1.00 1.03 N ATOM 550 CA LEU A 35 -16.381 -0.287 -6.340 1.00 70.22 C ATOM 551 C LEU A 35 -17.729 -0.447 -7.029 1.00 30.11 C ATOM 552 O LEU A 35 -17.883 -0.030 -8.179 1.00 14.40 O ATOM 553 CB LEU A 35 -16.520 0.523 -5.037 1.00 50.11 C ATOM 554 CG LEU A 35 -15.191 0.935 -4.382 1.00 11.32 C ATOM 555 CD1 LEU A 35 -15.454 1.998 -3.324 1.00 41.03 C ATOM 556 CD2 LEU A 35 -14.434 -0.230 -3.746 1.00 41.43 C ATOM 0 H LEU A 35 -15.904 1.146 -7.787 1.00 1.03 H new ATOM 0 HA LEU A 35 -15.979 -1.259 -6.054 1.00 70.22 H new ATOM 0 HB2 LEU A 35 -17.099 1.423 -5.246 1.00 50.11 H new ATOM 0 HB3 LEU A 35 -17.094 -0.065 -4.321 1.00 50.11 H new ATOM 0 HG LEU A 35 -14.559 1.323 -5.181 1.00 11.32 H new ATOM 0 HD11 LEU A 35 -14.512 2.290 -2.860 1.00 41.03 H new ATOM 0 HD12 LEU A 35 -15.914 2.869 -3.790 1.00 41.03 H new ATOM 0 HD13 LEU A 35 -16.124 1.597 -2.564 1.00 41.03 H new ATOM 0 HD21 LEU A 35 -13.507 0.136 -3.304 1.00 41.43 H new ATOM 0 HD22 LEU A 35 -15.051 -0.685 -2.971 1.00 41.43 H new ATOM 0 HD23 LEU A 35 -14.203 -0.974 -4.509 1.00 41.43 H new ATOM 568 N LEU A 36 -18.693 -1.029 -6.326 1.00 54.31 N ATOM 569 CA LEU A 36 -20.013 -1.338 -6.864 1.00 54.34 C ATOM 570 C LEU A 36 -21.030 -0.365 -6.285 1.00 12.11 C ATOM 571 O LEU A 36 -20.868 0.097 -5.152 1.00 74.43 O ATOM 572 CB LEU A 36 -20.407 -2.778 -6.509 1.00 74.14 C ATOM 573 CG LEU A 36 -19.379 -3.848 -6.925 1.00 52.24 C ATOM 574 CD1 LEU A 36 -19.899 -5.224 -6.528 1.00 33.54 C ATOM 575 CD2 LEU A 36 -18.997 -3.791 -8.409 1.00 72.24 C ATOM 0 H LEU A 36 -18.578 -1.304 -5.351 1.00 54.31 H new ATOM 0 HA LEU A 36 -19.991 -1.241 -7.949 1.00 54.34 H new ATOM 0 HB2 LEU A 36 -20.563 -2.843 -5.432 1.00 74.14 H new ATOM 0 HB3 LEU A 36 -21.361 -3.007 -6.983 1.00 74.14 H new ATOM 0 HG LEU A 36 -18.452 -3.638 -6.391 1.00 52.24 H new ATOM 0 HD11 LEU A 36 -19.175 -5.985 -6.820 1.00 33.54 H new ATOM 0 HD12 LEU A 36 -20.047 -5.260 -5.449 1.00 33.54 H new ATOM 0 HD13 LEU A 36 -20.847 -5.413 -7.031 1.00 33.54 H new ATOM 0 HD21 LEU A 36 -18.270 -4.573 -8.628 1.00 72.24 H new ATOM 0 HD22 LEU A 36 -19.887 -3.941 -9.020 1.00 72.24 H new ATOM 0 HD23 LEU A 36 -18.562 -2.818 -8.636 1.00 72.24 H new ATOM 587 N LYS A 37 -22.088 -0.075 -7.046 1.00 45.33 N ATOM 588 CA LYS A 37 -23.117 0.906 -6.704 1.00 13.12 C ATOM 589 C LYS A 37 -24.386 0.226 -6.216 1.00 2.10 C ATOM 590 O LYS A 37 -25.482 0.703 -6.504 1.00 12.43 O ATOM 591 CB LYS A 37 -23.399 1.807 -7.913 1.00 24.31 C ATOM 592 CG LYS A 37 -22.122 2.508 -8.370 1.00 2.04 C ATOM 593 CD LYS A 37 -22.280 3.177 -9.723 1.00 41.43 C ATOM 594 CE LYS A 37 -22.634 4.654 -9.553 1.00 34.11 C ATOM 595 NZ LYS A 37 -22.497 5.378 -10.826 1.00 51.32 N ATOM 0 H LYS A 37 -22.256 -0.530 -7.943 1.00 45.33 H new ATOM 0 HA LYS A 37 -22.750 1.525 -5.886 1.00 13.12 H new ATOM 0 HB2 LYS A 37 -23.806 1.211 -8.730 1.00 24.31 H new ATOM 0 HB3 LYS A 37 -24.154 2.549 -7.652 1.00 24.31 H new ATOM 0 HG2 LYS A 37 -21.836 3.255 -7.630 1.00 2.04 H new ATOM 0 HG3 LYS A 37 -21.310 1.782 -8.420 1.00 2.04 H new ATOM 0 HD2 LYS A 37 -21.355 3.082 -10.292 1.00 41.43 H new ATOM 0 HD3 LYS A 37 -23.060 2.674 -10.295 1.00 41.43 H new ATOM 0 HE2 LYS A 37 -23.656 4.747 -9.186 1.00 34.11 H new ATOM 0 HE3 LYS A 37 -21.984 5.104 -8.803 1.00 34.11 H new ATOM 0 HZ1 LYS A 37 -22.743 6.379 -10.685 1.00 51.32 H new ATOM 0 HZ2 LYS A 37 -21.515 5.307 -11.162 1.00 51.32 H new ATOM 0 HZ3 LYS A 37 -23.136 4.961 -11.533 1.00 51.32 H new ATOM 609 N ASP A 38 -24.243 -0.894 -5.503 1.00 14.01 N ATOM 610 CA ASP A 38 -25.371 -1.651 -4.953 1.00 21.40 C ATOM 611 C ASP A 38 -26.314 -2.138 -6.068 1.00 51.15 C ATOM 612 O ASP A 38 -27.484 -2.442 -5.830 1.00 24.11 O ATOM 613 CB ASP A 38 -26.055 -0.794 -3.863 1.00 3.23 C ATOM 614 CG ASP A 38 -26.980 -1.541 -2.909 1.00 4.13 C ATOM 615 OD1 ASP A 38 -26.874 -2.783 -2.797 1.00 13.34 O ATOM 616 OD2 ASP A 38 -27.719 -0.857 -2.159 1.00 12.12 O ATOM 0 H ASP A 38 -23.334 -1.304 -5.289 1.00 14.01 H new ATOM 0 HA ASP A 38 -25.025 -2.567 -4.474 1.00 21.40 H new ATOM 0 HB2 ASP A 38 -25.280 -0.302 -3.275 1.00 3.23 H new ATOM 0 HB3 ASP A 38 -26.629 -0.008 -4.354 1.00 3.23 H new ATOM 621 N ASP A 39 -25.815 -2.244 -7.306 1.00 63.45 N ATOM 622 CA ASP A 39 -26.513 -2.779 -8.468 1.00 3.40 C ATOM 623 C ASP A 39 -25.496 -3.693 -9.124 1.00 64.44 C ATOM 624 O ASP A 39 -24.908 -3.371 -10.156 1.00 23.20 O ATOM 625 CB ASP A 39 -27.040 -1.681 -9.386 1.00 61.45 C ATOM 626 CG ASP A 39 -28.036 -2.242 -10.408 1.00 53.22 C ATOM 627 OD1 ASP A 39 -27.647 -2.966 -11.346 1.00 72.11 O ATOM 628 OD2 ASP A 39 -29.238 -1.904 -10.263 1.00 5.34 O ATOM 0 H ASP A 39 -24.866 -1.942 -7.529 1.00 63.45 H new ATOM 0 HA ASP A 39 -27.418 -3.324 -8.201 1.00 3.40 H new ATOM 0 HB2 ASP A 39 -27.524 -0.907 -8.790 1.00 61.45 H new ATOM 0 HB3 ASP A 39 -26.207 -1.209 -9.907 1.00 61.45 H new ATOM 633 N GLY A 40 -25.146 -4.739 -8.373 1.00 22.10 N ATOM 634 CA GLY A 40 -24.211 -5.781 -8.748 1.00 42.35 C ATOM 635 C GLY A 40 -22.961 -5.201 -9.404 1.00 30.34 C ATOM 636 O GLY A 40 -22.214 -4.470 -8.775 1.00 63.45 O ATOM 0 H GLY A 40 -25.532 -4.882 -7.440 1.00 22.10 H new ATOM 0 HA2 GLY A 40 -23.928 -6.352 -7.864 1.00 42.35 H new ATOM 0 HA3 GLY A 40 -24.695 -6.476 -9.435 1.00 42.35 H new ATOM 640 N GLU A 41 -22.751 -5.510 -10.678 1.00 21.34 N ATOM 641 CA GLU A 41 -21.528 -5.312 -11.465 1.00 13.22 C ATOM 642 C GLU A 41 -21.329 -3.872 -11.971 1.00 44.35 C ATOM 643 O GLU A 41 -20.827 -3.623 -13.078 1.00 21.33 O ATOM 644 CB GLU A 41 -21.550 -6.260 -12.667 1.00 62.44 C ATOM 645 CG GLU A 41 -21.583 -7.757 -12.332 1.00 62.22 C ATOM 646 CD GLU A 41 -20.474 -8.488 -13.071 1.00 70.53 C ATOM 647 OE1 GLU A 41 -20.532 -8.527 -14.325 1.00 2.24 O ATOM 648 OE2 GLU A 41 -19.556 -8.984 -12.379 1.00 22.35 O ATOM 0 H GLU A 41 -23.488 -5.940 -11.237 1.00 21.34 H new ATOM 0 HA GLU A 41 -20.695 -5.523 -10.795 1.00 13.22 H new ATOM 0 HB2 GLU A 41 -22.422 -6.024 -13.277 1.00 62.44 H new ATOM 0 HB3 GLU A 41 -20.670 -6.062 -13.279 1.00 62.44 H new ATOM 0 HG2 GLU A 41 -21.468 -7.899 -11.257 1.00 62.22 H new ATOM 0 HG3 GLU A 41 -22.551 -8.177 -12.607 1.00 62.22 H new ATOM 655 N THR A 42 -21.783 -2.900 -11.200 1.00 31.33 N ATOM 656 CA THR A 42 -21.797 -1.507 -11.604 1.00 13.10 C ATOM 657 C THR A 42 -20.374 -0.949 -11.726 1.00 5.02 C ATOM 658 O THR A 42 -19.541 -1.119 -10.833 1.00 64.52 O ATOM 659 CB THR A 42 -22.688 -0.672 -10.664 1.00 50.15 C ATOM 660 OG1 THR A 42 -23.128 -1.366 -9.507 1.00 13.10 O ATOM 661 CG2 THR A 42 -23.922 -0.210 -11.439 1.00 25.24 C ATOM 0 H THR A 42 -22.157 -3.059 -10.264 1.00 31.33 H new ATOM 0 HA THR A 42 -22.239 -1.440 -12.598 1.00 13.10 H new ATOM 0 HB THR A 42 -22.073 0.159 -10.320 1.00 50.15 H new ATOM 0 HG1 THR A 42 -23.806 -2.027 -9.760 1.00 13.10 H new ATOM 0 HG21 THR A 42 -24.562 0.383 -10.785 1.00 25.24 H new ATOM 0 HG22 THR A 42 -23.611 0.397 -12.290 1.00 25.24 H new ATOM 0 HG23 THR A 42 -24.474 -1.079 -11.796 1.00 25.24 H new ATOM 669 N GLU A 43 -20.078 -0.295 -12.848 1.00 54.25 N ATOM 670 CA GLU A 43 -18.852 0.451 -13.080 1.00 65.12 C ATOM 671 C GLU A 43 -18.883 1.732 -12.249 1.00 65.12 C ATOM 672 O GLU A 43 -19.930 2.377 -12.147 1.00 63.23 O ATOM 673 CB GLU A 43 -18.711 0.748 -14.583 1.00 72.44 C ATOM 674 CG GLU A 43 -19.612 1.889 -15.091 1.00 51.44 C ATOM 675 CD GLU A 43 -19.913 1.777 -16.580 1.00 41.23 C ATOM 676 OE1 GLU A 43 -18.986 1.992 -17.399 1.00 32.32 O ATOM 677 OE2 GLU A 43 -21.065 1.459 -16.947 1.00 63.22 O ATOM 0 H GLU A 43 -20.712 -0.272 -13.647 1.00 54.25 H new ATOM 0 HA GLU A 43 -17.984 -0.132 -12.773 1.00 65.12 H new ATOM 0 HB2 GLU A 43 -17.672 0.999 -14.796 1.00 72.44 H new ATOM 0 HB3 GLU A 43 -18.941 -0.158 -15.144 1.00 72.44 H new ATOM 0 HG2 GLU A 43 -20.548 1.884 -14.533 1.00 51.44 H new ATOM 0 HG3 GLU A 43 -19.128 2.845 -14.893 1.00 51.44 H new ATOM 684 N GLN A 44 -17.753 2.120 -11.658 1.00 50.24 N ATOM 685 CA GLN A 44 -17.645 3.306 -10.824 1.00 65.22 C ATOM 686 C GLN A 44 -16.159 3.590 -10.596 1.00 32.30 C ATOM 687 O GLN A 44 -15.386 2.630 -10.591 1.00 73.42 O ATOM 688 CB GLN A 44 -18.326 2.960 -9.492 1.00 4.13 C ATOM 689 CG GLN A 44 -18.851 4.184 -8.745 1.00 64.52 C ATOM 690 CD GLN A 44 -17.853 4.831 -7.799 1.00 22.54 C ATOM 691 OE1 GLN A 44 -17.778 6.049 -7.719 1.00 51.21 O ATOM 692 NE2 GLN A 44 -17.091 4.046 -7.050 1.00 45.01 N ATOM 0 H GLN A 44 -16.876 1.608 -11.750 1.00 50.24 H new ATOM 0 HA GLN A 44 -18.109 4.182 -11.277 1.00 65.22 H new ATOM 0 HB2 GLN A 44 -19.154 2.277 -9.682 1.00 4.13 H new ATOM 0 HB3 GLN A 44 -17.616 2.432 -8.856 1.00 4.13 H new ATOM 0 HG2 GLN A 44 -19.173 4.927 -9.475 1.00 64.52 H new ATOM 0 HG3 GLN A 44 -19.734 3.893 -8.176 1.00 64.52 H new ATOM 0 HE21 GLN A 44 -17.168 3.032 -7.131 1.00 45.01 H new ATOM 0 HE22 GLN A 44 -16.428 4.456 -6.393 1.00 45.01 H new ATOM 701 N THR A 45 -15.751 4.840 -10.330 1.00 54.31 N ATOM 702 CA THR A 45 -14.398 5.119 -9.845 1.00 62.41 C ATOM 703 C THR A 45 -14.417 6.155 -8.734 1.00 61.43 C ATOM 704 O THR A 45 -15.276 7.039 -8.675 1.00 32.41 O ATOM 705 CB THR A 45 -13.421 5.559 -10.958 1.00 42.13 C ATOM 706 OG1 THR A 45 -13.680 6.872 -11.445 1.00 22.31 O ATOM 707 CG2 THR A 45 -13.416 4.589 -12.125 1.00 63.21 C ATOM 0 H THR A 45 -16.337 5.667 -10.443 1.00 54.31 H new ATOM 0 HA THR A 45 -14.027 4.172 -9.454 1.00 62.41 H new ATOM 0 HB THR A 45 -12.439 5.561 -10.485 1.00 42.13 H new ATOM 0 HG1 THR A 45 -13.031 7.095 -12.144 1.00 22.31 H new ATOM 0 HG21 THR A 45 -12.716 4.937 -12.884 1.00 63.21 H new ATOM 0 HG22 THR A 45 -13.112 3.602 -11.776 1.00 63.21 H new ATOM 0 HG23 THR A 45 -14.416 4.531 -12.554 1.00 63.21 H new ATOM 715 N PHE A 46 -13.393 6.086 -7.898 1.00 2.01 N ATOM 716 CA PHE A 46 -13.107 7.055 -6.842 1.00 50.25 C ATOM 717 C PHE A 46 -11.676 7.551 -6.997 1.00 12.31 C ATOM 718 O PHE A 46 -10.843 6.788 -7.489 1.00 10.32 O ATOM 719 CB PHE A 46 -13.343 6.441 -5.451 1.00 31.12 C ATOM 720 CG PHE A 46 -14.568 7.002 -4.764 1.00 61.44 C ATOM 721 CD1 PHE A 46 -15.831 6.770 -5.324 1.00 71.13 C ATOM 722 CD2 PHE A 46 -14.451 7.787 -3.605 1.00 34.41 C ATOM 723 CE1 PHE A 46 -16.984 7.310 -4.736 1.00 11.10 C ATOM 724 CE2 PHE A 46 -15.601 8.346 -3.018 1.00 71.21 C ATOM 725 CZ PHE A 46 -16.863 8.106 -3.587 1.00 30.53 C ATOM 0 H PHE A 46 -12.711 5.328 -7.934 1.00 2.01 H new ATOM 0 HA PHE A 46 -13.787 7.902 -6.934 1.00 50.25 H new ATOM 0 HB2 PHE A 46 -13.449 5.361 -5.549 1.00 31.12 H new ATOM 0 HB3 PHE A 46 -12.468 6.620 -4.826 1.00 31.12 H new ATOM 0 HD1 PHE A 46 -15.918 6.169 -6.217 1.00 71.13 H new ATOM 0 HD2 PHE A 46 -13.480 7.961 -3.165 1.00 34.41 H new ATOM 0 HE1 PHE A 46 -17.956 7.115 -5.164 1.00 11.10 H new ATOM 0 HE2 PHE A 46 -15.514 8.958 -2.132 1.00 71.21 H new ATOM 0 HZ PHE A 46 -17.745 8.537 -3.137 1.00 30.53 H new ATOM 735 N PRO A 47 -11.379 8.799 -6.587 1.00 34.43 N ATOM 736 CA PRO A 47 -10.043 9.362 -6.680 1.00 31.53 C ATOM 737 C PRO A 47 -9.107 8.720 -5.649 1.00 24.14 C ATOM 738 O PRO A 47 -9.535 8.272 -4.583 1.00 13.20 O ATOM 739 CB PRO A 47 -10.222 10.866 -6.444 1.00 33.53 C ATOM 740 CG PRO A 47 -11.453 10.938 -5.540 1.00 12.22 C ATOM 741 CD PRO A 47 -12.308 9.776 -6.033 1.00 22.13 C ATOM 0 HA PRO A 47 -9.580 9.172 -7.648 1.00 31.53 H new ATOM 0 HB2 PRO A 47 -9.346 11.305 -5.966 1.00 33.53 H new ATOM 0 HB3 PRO A 47 -10.378 11.404 -7.379 1.00 33.53 H new ATOM 0 HG2 PRO A 47 -11.189 10.827 -4.488 1.00 12.22 H new ATOM 0 HG3 PRO A 47 -11.972 11.892 -5.639 1.00 12.22 H new ATOM 0 HD2 PRO A 47 -12.887 9.344 -5.217 1.00 22.13 H new ATOM 0 HD3 PRO A 47 -13.020 10.109 -6.788 1.00 22.13 H new ATOM 749 N PHE A 48 -7.817 8.723 -5.964 1.00 30.30 N ATOM 750 CA PHE A 48 -6.732 7.993 -5.317 1.00 2.13 C ATOM 751 C PHE A 48 -5.615 9.003 -5.049 1.00 4.31 C ATOM 752 O PHE A 48 -4.707 9.158 -5.871 1.00 4.10 O ATOM 753 CB PHE A 48 -6.241 6.836 -6.224 1.00 33.22 C ATOM 754 CG PHE A 48 -6.504 7.060 -7.702 1.00 73.53 C ATOM 755 CD1 PHE A 48 -7.801 6.880 -8.204 1.00 5.01 C ATOM 756 CD2 PHE A 48 -5.515 7.568 -8.545 1.00 14.11 C ATOM 757 CE1 PHE A 48 -8.115 7.234 -9.522 1.00 34.12 C ATOM 758 CE2 PHE A 48 -5.814 7.926 -9.870 1.00 64.51 C ATOM 759 CZ PHE A 48 -7.115 7.746 -10.359 1.00 53.24 C ATOM 0 H PHE A 48 -7.474 9.283 -6.744 1.00 30.30 H new ATOM 0 HA PHE A 48 -7.064 7.540 -4.383 1.00 2.13 H new ATOM 0 HB2 PHE A 48 -5.171 6.698 -6.072 1.00 33.22 H new ATOM 0 HB3 PHE A 48 -6.729 5.912 -5.914 1.00 33.22 H new ATOM 0 HD1 PHE A 48 -8.567 6.463 -7.567 1.00 5.01 H new ATOM 0 HD2 PHE A 48 -4.508 7.687 -8.174 1.00 14.11 H new ATOM 0 HE1 PHE A 48 -9.123 7.113 -9.891 1.00 34.12 H new ATOM 0 HE2 PHE A 48 -5.046 8.337 -10.508 1.00 64.51 H new ATOM 0 HZ PHE A 48 -7.347 8.002 -11.382 1.00 53.24 H new ATOM 769 N THR A 49 -5.694 9.758 -3.952 1.00 73.54 N ATOM 770 CA THR A 49 -4.732 10.819 -3.639 1.00 54.42 C ATOM 771 C THR A 49 -4.111 10.585 -2.257 1.00 1.32 C ATOM 772 O THR A 49 -4.304 9.526 -1.658 1.00 14.43 O ATOM 773 CB THR A 49 -5.373 12.214 -3.803 1.00 10.31 C ATOM 774 OG1 THR A 49 -6.381 12.450 -2.836 1.00 62.43 O ATOM 775 CG2 THR A 49 -5.980 12.451 -5.187 1.00 30.10 C ATOM 0 H THR A 49 -6.429 9.651 -3.253 1.00 73.54 H new ATOM 0 HA THR A 49 -3.911 10.786 -4.356 1.00 54.42 H new ATOM 0 HB THR A 49 -4.545 12.909 -3.665 1.00 10.31 H new ATOM 0 HG1 THR A 49 -6.761 13.343 -2.971 1.00 62.43 H new ATOM 0 HG21 THR A 49 -6.412 13.451 -5.229 1.00 30.10 H new ATOM 0 HG22 THR A 49 -5.203 12.359 -5.946 1.00 30.10 H new ATOM 0 HG23 THR A 49 -6.759 11.712 -5.374 1.00 30.10 H new ATOM 783 N ARG A 50 -3.358 11.559 -1.726 1.00 73.32 N ATOM 784 CA ARG A 50 -2.807 11.519 -0.367 1.00 14.44 C ATOM 785 C ARG A 50 -3.900 11.267 0.690 1.00 1.33 C ATOM 786 O ARG A 50 -3.615 10.659 1.710 1.00 22.03 O ATOM 787 CB ARG A 50 -2.044 12.841 -0.127 1.00 61.42 C ATOM 788 CG ARG A 50 -1.270 12.906 1.200 1.00 25.21 C ATOM 789 CD ARG A 50 -0.443 14.200 1.287 1.00 30.11 C ATOM 790 NE ARG A 50 0.050 14.485 2.647 1.00 61.02 N ATOM 791 CZ ARG A 50 1.309 14.743 3.038 1.00 13.34 C ATOM 792 NH1 ARG A 50 2.343 14.634 2.211 1.00 44.44 N ATOM 793 NH2 ARG A 50 1.552 15.117 4.282 1.00 23.22 N ATOM 0 H ARG A 50 -3.112 12.407 -2.236 1.00 73.32 H new ATOM 0 HA ARG A 50 -2.118 10.680 -0.268 1.00 14.44 H new ATOM 0 HB2 ARG A 50 -1.344 12.994 -0.948 1.00 61.42 H new ATOM 0 HB3 ARG A 50 -2.756 13.666 -0.157 1.00 61.42 H new ATOM 0 HG2 ARG A 50 -1.968 12.858 2.036 1.00 25.21 H new ATOM 0 HG3 ARG A 50 -0.611 12.042 1.285 1.00 25.21 H new ATOM 0 HD2 ARG A 50 0.406 14.127 0.608 1.00 30.11 H new ATOM 0 HD3 ARG A 50 -1.053 15.037 0.946 1.00 30.11 H new ATOM 0 HE ARG A 50 -0.654 14.486 3.385 1.00 61.02 H new ATOM 0 HH11 ARG A 50 2.194 14.346 1.244 1.00 44.44 H new ATOM 0 HH12 ARG A 50 3.286 14.838 2.543 1.00 44.44 H new ATOM 0 HH21 ARG A 50 0.783 15.210 4.946 1.00 23.22 H new ATOM 0 HH22 ARG A 50 2.508 15.313 4.578 1.00 23.22 H new ATOM 807 N GLU A 51 -5.148 11.656 0.414 1.00 25.12 N ATOM 808 CA GLU A 51 -6.323 11.766 1.291 1.00 73.12 C ATOM 809 C GLU A 51 -6.931 10.434 1.782 1.00 53.22 C ATOM 810 O GLU A 51 -8.137 10.357 2.037 1.00 13.40 O ATOM 811 CB GLU A 51 -7.364 12.570 0.474 1.00 25.21 C ATOM 812 CG GLU A 51 -8.203 13.514 1.337 1.00 51.54 C ATOM 813 CD GLU A 51 -7.484 14.853 1.525 1.00 51.25 C ATOM 814 OE1 GLU A 51 -6.662 14.957 2.458 1.00 14.41 O ATOM 815 OE2 GLU A 51 -7.694 15.774 0.700 1.00 25.44 O ATOM 0 H GLU A 51 -5.389 11.934 -0.537 1.00 25.12 H new ATOM 0 HA GLU A 51 -6.016 12.247 2.219 1.00 73.12 H new ATOM 0 HB2 GLU A 51 -6.848 13.149 -0.292 1.00 25.21 H new ATOM 0 HB3 GLU A 51 -8.026 11.876 -0.044 1.00 25.21 H new ATOM 0 HG2 GLU A 51 -9.173 13.679 0.868 1.00 51.54 H new ATOM 0 HG3 GLU A 51 -8.392 13.057 2.308 1.00 51.54 H new ATOM 822 N LYS A 52 -6.142 9.362 1.797 1.00 32.14 N ATOM 823 CA LYS A 52 -6.538 7.947 1.886 1.00 34.11 C ATOM 824 C LYS A 52 -5.282 7.062 1.892 1.00 42.33 C ATOM 825 O LYS A 52 -5.335 5.888 1.516 1.00 13.20 O ATOM 826 CB LYS A 52 -7.534 7.598 0.768 1.00 73.43 C ATOM 827 CG LYS A 52 -7.139 8.133 -0.606 1.00 51.44 C ATOM 828 CD LYS A 52 -8.068 7.591 -1.683 1.00 74.43 C ATOM 829 CE LYS A 52 -9.573 7.782 -1.517 1.00 1.11 C ATOM 830 NZ LYS A 52 -9.939 9.168 -1.158 1.00 23.53 N ATOM 0 H LYS A 52 -5.128 9.462 1.743 1.00 32.14 H new ATOM 0 HA LYS A 52 -7.062 7.758 2.823 1.00 34.11 H new ATOM 0 HB2 LYS A 52 -7.633 6.514 0.709 1.00 73.43 H new ATOM 0 HB3 LYS A 52 -8.514 7.994 1.032 1.00 73.43 H new ATOM 0 HG2 LYS A 52 -7.176 9.222 -0.602 1.00 51.44 H new ATOM 0 HG3 LYS A 52 -6.111 7.850 -0.830 1.00 51.44 H new ATOM 0 HD2 LYS A 52 -7.779 8.048 -2.629 1.00 74.43 H new ATOM 0 HD3 LYS A 52 -7.879 6.522 -1.775 1.00 74.43 H new ATOM 0 HE2 LYS A 52 -10.074 7.508 -2.446 1.00 1.11 H new ATOM 0 HE3 LYS A 52 -9.938 7.104 -0.746 1.00 1.11 H new ATOM 0 HZ1 LYS A 52 -10.972 9.240 -1.058 1.00 23.53 H new ATOM 0 HZ2 LYS A 52 -9.486 9.425 -0.258 1.00 23.53 H new ATOM 0 HZ3 LYS A 52 -9.618 9.816 -1.905 1.00 23.53 H new ATOM 844 N TRP A 53 -4.114 7.622 2.219 1.00 14.10 N ATOM 845 CA TRP A 53 -2.898 6.843 2.398 1.00 14.24 C ATOM 846 C TRP A 53 -2.958 6.127 3.755 1.00 3.30 C ATOM 847 O TRP A 53 -3.518 6.694 4.699 1.00 42.34 O ATOM 848 CB TRP A 53 -1.683 7.773 2.330 1.00 72.41 C ATOM 849 CG TRP A 53 -0.360 7.088 2.472 1.00 44.23 C ATOM 850 CD1 TRP A 53 0.380 7.064 3.601 1.00 10.41 C ATOM 851 CD2 TRP A 53 0.339 6.231 1.521 1.00 65.04 C ATOM 852 NE1 TRP A 53 1.450 6.213 3.428 1.00 4.44 N ATOM 853 CE2 TRP A 53 1.462 5.648 2.175 1.00 21.04 C ATOM 854 CE3 TRP A 53 0.141 5.884 0.170 1.00 43.45 C ATOM 855 CZ2 TRP A 53 2.306 4.720 1.545 1.00 64.02 C ATOM 856 CZ3 TRP A 53 1.011 5.000 -0.493 1.00 10.43 C ATOM 857 CH2 TRP A 53 2.080 4.399 0.196 1.00 61.04 C ATOM 0 H TRP A 53 -3.991 8.624 2.365 1.00 14.10 H new ATOM 0 HA TRP A 53 -2.808 6.097 1.608 1.00 14.24 H new ATOM 0 HB2 TRP A 53 -1.702 8.303 1.378 1.00 72.41 H new ATOM 0 HB3 TRP A 53 -1.774 8.524 3.115 1.00 72.41 H new ATOM 0 HD1 TRP A 53 0.167 7.624 4.499 1.00 10.41 H new ATOM 0 HE1 TRP A 53 2.150 6.025 4.145 1.00 4.44 H new ATOM 0 HE3 TRP A 53 -0.696 6.305 -0.367 1.00 43.45 H new ATOM 0 HZ2 TRP A 53 3.117 4.260 2.089 1.00 64.02 H new ATOM 0 HZ3 TRP A 53 0.857 4.781 -1.539 1.00 10.43 H new ATOM 0 HH2 TRP A 53 2.724 3.694 -0.309 1.00 61.04 H new ATOM 868 N ALA A 54 -2.322 4.959 3.894 1.00 43.13 N ATOM 869 CA ALA A 54 -2.035 4.339 5.184 1.00 73.05 C ATOM 870 C ALA A 54 -0.547 4.099 5.361 1.00 62.32 C ATOM 871 O ALA A 54 0.180 3.815 4.404 1.00 11.31 O ATOM 872 CB ALA A 54 -2.800 3.036 5.382 1.00 42.43 C ATOM 0 H ALA A 54 -1.989 4.413 3.100 1.00 43.13 H new ATOM 0 HA ALA A 54 -2.372 5.042 5.946 1.00 73.05 H new ATOM 0 HB1 ALA A 54 -2.553 2.613 6.356 1.00 42.43 H new ATOM 0 HB2 ALA A 54 -3.871 3.232 5.333 1.00 42.43 H new ATOM 0 HB3 ALA A 54 -2.524 2.329 4.599 1.00 42.43 H new ATOM 878 N LEU A 55 -0.104 4.229 6.608 1.00 32.13 N ATOM 879 CA LEU A 55 1.301 4.107 6.968 1.00 31.31 C ATOM 880 C LEU A 55 1.624 2.614 7.108 1.00 21.33 C ATOM 881 O LEU A 55 0.841 1.854 7.681 1.00 5.53 O ATOM 882 CB LEU A 55 1.571 4.944 8.235 1.00 43.24 C ATOM 883 CG LEU A 55 1.134 6.417 8.024 1.00 64.23 C ATOM 884 CD1 LEU A 55 1.101 7.268 9.281 1.00 5.52 C ATOM 885 CD2 LEU A 55 1.978 7.133 6.967 1.00 52.53 C ATOM 0 H LEU A 55 -0.716 4.423 7.401 1.00 32.13 H new ATOM 0 HA LEU A 55 1.967 4.506 6.203 1.00 31.31 H new ATOM 0 HB2 LEU A 55 1.031 4.517 9.080 1.00 43.24 H new ATOM 0 HB3 LEU A 55 2.632 4.906 8.482 1.00 43.24 H new ATOM 0 HG LEU A 55 0.105 6.317 7.678 1.00 64.23 H new ATOM 0 HD11 LEU A 55 0.784 8.279 9.027 1.00 5.52 H new ATOM 0 HD12 LEU A 55 0.400 6.836 9.995 1.00 5.52 H new ATOM 0 HD13 LEU A 55 2.096 7.300 9.725 1.00 5.52 H new ATOM 0 HD21 LEU A 55 1.630 8.160 6.859 1.00 52.53 H new ATOM 0 HD22 LEU A 55 3.023 7.134 7.276 1.00 52.53 H new ATOM 0 HD23 LEU A 55 1.882 6.615 6.013 1.00 52.53 H new ATOM 897 N LEU A 56 2.707 2.169 6.472 1.00 42.51 N ATOM 898 CA LEU A 56 3.085 0.765 6.329 1.00 63.01 C ATOM 899 C LEU A 56 4.123 0.443 7.403 1.00 12.52 C ATOM 900 O LEU A 56 5.014 1.265 7.629 1.00 41.32 O ATOM 901 CB LEU A 56 3.686 0.516 4.930 1.00 4.41 C ATOM 902 CG LEU A 56 2.841 1.023 3.738 1.00 5.41 C ATOM 903 CD1 LEU A 56 3.604 0.822 2.427 1.00 24.43 C ATOM 904 CD2 LEU A 56 1.484 0.330 3.627 1.00 3.34 C ATOM 0 H LEU A 56 3.370 2.802 6.025 1.00 42.51 H new ATOM 0 HA LEU A 56 2.208 0.128 6.444 1.00 63.01 H new ATOM 0 HB2 LEU A 56 4.666 0.992 4.886 1.00 4.41 H new ATOM 0 HB3 LEU A 56 3.846 -0.555 4.809 1.00 4.41 H new ATOM 0 HG LEU A 56 2.659 2.082 3.922 1.00 5.41 H new ATOM 0 HD11 LEU A 56 2.999 1.183 1.595 1.00 24.43 H new ATOM 0 HD12 LEU A 56 4.541 1.378 2.462 1.00 24.43 H new ATOM 0 HD13 LEU A 56 3.816 -0.238 2.288 1.00 24.43 H new ATOM 0 HD21 LEU A 56 0.940 0.730 2.771 1.00 3.34 H new ATOM 0 HD22 LEU A 56 1.633 -0.742 3.494 1.00 3.34 H new ATOM 0 HD23 LEU A 56 0.910 0.506 4.537 1.00 3.34 H new ATOM 916 N ASP A 57 4.042 -0.736 8.023 1.00 74.32 N ATOM 917 CA ASP A 57 4.964 -1.171 9.077 1.00 33.14 C ATOM 918 C ASP A 57 6.074 -2.055 8.506 1.00 65.40 C ATOM 919 O ASP A 57 6.012 -2.512 7.362 1.00 72.42 O ATOM 920 CB ASP A 57 4.220 -1.964 10.158 1.00 21.32 C ATOM 921 CG ASP A 57 3.348 -1.115 11.067 1.00 53.41 C ATOM 922 OD1 ASP A 57 3.905 -0.354 11.885 1.00 70.42 O ATOM 923 OD2 ASP A 57 2.115 -1.313 11.011 1.00 31.03 O ATOM 0 H ASP A 57 3.324 -1.426 7.805 1.00 74.32 H new ATOM 0 HA ASP A 57 5.401 -0.272 9.513 1.00 33.14 H new ATOM 0 HB2 ASP A 57 3.597 -2.717 9.676 1.00 21.32 H new ATOM 0 HB3 ASP A 57 4.949 -2.497 10.768 1.00 21.32 H new ATOM 928 N GLU A 58 7.098 -2.342 9.313 1.00 33.03 N ATOM 929 CA GLU A 58 8.257 -3.127 8.917 1.00 31.04 C ATOM 930 C GLU A 58 7.855 -4.574 8.599 1.00 21.45 C ATOM 931 O GLU A 58 8.313 -5.123 7.598 1.00 3.15 O ATOM 932 CB GLU A 58 9.349 -3.032 10.008 1.00 54.51 C ATOM 933 CG GLU A 58 10.722 -3.278 9.379 1.00 31.41 C ATOM 934 CD GLU A 58 11.914 -3.225 10.349 1.00 45.42 C ATOM 935 OE1 GLU A 58 12.118 -4.174 11.134 1.00 45.11 O ATOM 936 OE2 GLU A 58 12.839 -2.398 10.173 1.00 30.11 O ATOM 0 H GLU A 58 7.140 -2.025 10.282 1.00 33.03 H new ATOM 0 HA GLU A 58 8.678 -2.719 7.998 1.00 31.04 H new ATOM 0 HB2 GLU A 58 9.324 -2.049 10.478 1.00 54.51 H new ATOM 0 HB3 GLU A 58 9.160 -3.765 10.792 1.00 54.51 H new ATOM 0 HG2 GLU A 58 10.711 -4.256 8.897 1.00 31.41 H new ATOM 0 HG3 GLU A 58 10.881 -2.538 8.595 1.00 31.41 H new ATOM 943 N GLU A 59 6.986 -5.181 9.415 1.00 33.22 N ATOM 944 CA GLU A 59 6.437 -6.518 9.174 1.00 52.34 C ATOM 945 C GLU A 59 5.286 -6.515 8.161 1.00 44.21 C ATOM 946 O GLU A 59 4.844 -7.593 7.754 1.00 22.03 O ATOM 947 CB GLU A 59 5.974 -7.174 10.486 1.00 22.05 C ATOM 948 CG GLU A 59 7.164 -7.532 11.384 1.00 34.15 C ATOM 949 CD GLU A 59 6.821 -8.525 12.496 1.00 2.14 C ATOM 950 OE1 GLU A 59 6.308 -9.628 12.198 1.00 32.41 O ATOM 951 OE2 GLU A 59 7.224 -8.293 13.657 1.00 33.24 O ATOM 0 H GLU A 59 6.640 -4.751 10.273 1.00 33.22 H new ATOM 0 HA GLU A 59 7.250 -7.104 8.746 1.00 52.34 H new ATOM 0 HB2 GLU A 59 5.306 -6.496 11.018 1.00 22.05 H new ATOM 0 HB3 GLU A 59 5.402 -8.074 10.262 1.00 22.05 H new ATOM 0 HG2 GLU A 59 7.959 -7.951 10.768 1.00 34.15 H new ATOM 0 HG3 GLU A 59 7.556 -6.619 11.833 1.00 34.15 H new ATOM 958 N THR A 60 4.799 -5.344 7.733 1.00 33.43 N ATOM 959 CA THR A 60 3.866 -5.292 6.613 1.00 62.41 C ATOM 960 C THR A 60 4.631 -5.651 5.337 1.00 33.04 C ATOM 961 O THR A 60 4.195 -6.542 4.599 1.00 23.03 O ATOM 962 CB THR A 60 3.193 -3.912 6.517 1.00 64.44 C ATOM 963 OG1 THR A 60 2.498 -3.641 7.714 1.00 44.50 O ATOM 964 CG2 THR A 60 2.162 -3.815 5.395 1.00 23.23 C ATOM 0 H THR A 60 5.033 -4.438 8.140 1.00 33.43 H new ATOM 0 HA THR A 60 3.060 -6.011 6.760 1.00 62.41 H new ATOM 0 HB THR A 60 3.999 -3.204 6.323 1.00 64.44 H new ATOM 0 HG1 THR A 60 1.828 -2.945 7.553 1.00 44.50 H new ATOM 0 HG21 THR A 60 1.727 -2.815 5.386 1.00 23.23 H new ATOM 0 HG22 THR A 60 2.646 -4.009 4.438 1.00 23.23 H new ATOM 0 HG23 THR A 60 1.375 -4.551 5.559 1.00 23.23 H new ATOM 972 N LEU A 61 5.765 -4.982 5.079 1.00 21.14 N ATOM 973 CA LEU A 61 6.478 -5.104 3.810 1.00 41.22 C ATOM 974 C LEU A 61 7.485 -6.249 3.895 1.00 34.41 C ATOM 975 O LEU A 61 8.673 -6.068 3.624 1.00 23.21 O ATOM 976 CB LEU A 61 7.113 -3.751 3.449 1.00 33.04 C ATOM 977 CG LEU A 61 6.074 -2.773 2.868 1.00 21.22 C ATOM 978 CD1 LEU A 61 6.475 -1.340 3.213 1.00 31.23 C ATOM 979 CD2 LEU A 61 5.944 -2.943 1.349 1.00 11.13 C ATOM 0 H LEU A 61 6.207 -4.346 5.743 1.00 21.14 H new ATOM 0 HA LEU A 61 5.792 -5.355 3.001 1.00 41.22 H new ATOM 0 HB2 LEU A 61 7.568 -3.314 4.338 1.00 33.04 H new ATOM 0 HB3 LEU A 61 7.913 -3.906 2.725 1.00 33.04 H new ATOM 0 HG LEU A 61 5.102 -2.993 3.310 1.00 21.22 H new ATOM 0 HD11 LEU A 61 5.740 -0.648 2.802 1.00 31.23 H new ATOM 0 HD12 LEU A 61 6.517 -1.225 4.296 1.00 31.23 H new ATOM 0 HD13 LEU A 61 7.455 -1.124 2.787 1.00 31.23 H new ATOM 0 HD21 LEU A 61 5.204 -2.240 0.966 1.00 11.13 H new ATOM 0 HD22 LEU A 61 6.907 -2.748 0.877 1.00 11.13 H new ATOM 0 HD23 LEU A 61 5.628 -3.961 1.123 1.00 11.13 H new ATOM 991 N LYS A 62 7.027 -7.427 4.319 1.00 34.14 N ATOM 992 CA LYS A 62 7.861 -8.593 4.545 1.00 1.35 C ATOM 993 C LYS A 62 7.746 -9.570 3.391 1.00 42.43 C ATOM 994 O LYS A 62 6.874 -9.440 2.541 1.00 3.21 O ATOM 995 CB LYS A 62 7.463 -9.250 5.875 1.00 12.41 C ATOM 996 CG LYS A 62 8.737 -9.475 6.676 1.00 5.51 C ATOM 997 CD LYS A 62 8.476 -10.260 7.963 1.00 31.21 C ATOM 998 CE LYS A 62 9.780 -10.758 8.598 1.00 32.42 C ATOM 999 NZ LYS A 62 10.371 -11.883 7.843 1.00 13.31 N ATOM 0 H LYS A 62 6.041 -7.594 4.518 1.00 34.14 H new ATOM 0 HA LYS A 62 8.905 -8.285 4.603 1.00 1.35 H new ATOM 0 HB2 LYS A 62 6.772 -8.612 6.426 1.00 12.41 H new ATOM 0 HB3 LYS A 62 6.951 -10.195 5.697 1.00 12.41 H new ATOM 0 HG2 LYS A 62 9.460 -10.014 6.063 1.00 5.51 H new ATOM 0 HG3 LYS A 62 9.184 -8.512 6.923 1.00 5.51 H new ATOM 0 HD2 LYS A 62 7.944 -9.628 8.673 1.00 31.21 H new ATOM 0 HD3 LYS A 62 7.829 -11.110 7.746 1.00 31.21 H new ATOM 0 HE2 LYS A 62 10.496 -9.938 8.645 1.00 32.42 H new ATOM 0 HE3 LYS A 62 9.587 -11.072 9.624 1.00 32.42 H new ATOM 0 HZ1 LYS A 62 11.162 -12.287 8.384 1.00 13.31 H new ATOM 0 HZ2 LYS A 62 9.648 -12.614 7.687 1.00 13.31 H new ATOM 0 HZ3 LYS A 62 10.720 -11.540 6.925 1.00 13.31 H new ATOM 1013 N GLU A 63 8.603 -10.584 3.392 1.00 5.52 N ATOM 1014 CA GLU A 63 8.580 -11.656 2.414 1.00 62.01 C ATOM 1015 C GLU A 63 8.384 -12.983 3.121 1.00 64.40 C ATOM 1016 O GLU A 63 9.338 -13.579 3.640 1.00 72.24 O ATOM 1017 CB GLU A 63 9.841 -11.691 1.569 1.00 10.52 C ATOM 1018 CG GLU A 63 10.045 -10.418 0.764 1.00 74.13 C ATOM 1019 CD GLU A 63 11.227 -10.643 -0.160 1.00 11.24 C ATOM 1020 OE1 GLU A 63 12.335 -10.921 0.352 1.00 43.53 O ATOM 1021 OE2 GLU A 63 11.010 -10.719 -1.386 1.00 54.54 O ATOM 0 H GLU A 63 9.344 -10.683 4.086 1.00 5.52 H new ATOM 0 HA GLU A 63 7.747 -11.471 1.736 1.00 62.01 H new ATOM 0 HB2 GLU A 63 10.703 -11.848 2.217 1.00 10.52 H new ATOM 0 HB3 GLU A 63 9.794 -12.542 0.889 1.00 10.52 H new ATOM 0 HG2 GLU A 63 9.150 -10.181 0.189 1.00 74.13 H new ATOM 0 HG3 GLU A 63 10.232 -9.572 1.426 1.00 74.13 H new ATOM 1028 N GLY A 64 7.156 -13.474 3.118 1.00 5.31 N ATOM 1029 CA GLY A 64 6.811 -14.763 3.689 1.00 44.50 C ATOM 1030 C GLY A 64 5.408 -15.214 3.306 1.00 10.22 C ATOM 1031 O GLY A 64 4.671 -14.530 2.598 1.00 52.22 O ATOM 0 H GLY A 64 6.360 -12.981 2.713 1.00 5.31 H new ATOM 0 HA2 GLY A 64 7.533 -15.509 3.356 1.00 44.50 H new ATOM 0 HA3 GLY A 64 6.888 -14.708 4.775 1.00 44.50 H new ATOM 1035 N ARG A 65 5.037 -16.397 3.790 1.00 4.33 N ATOM 1036 CA ARG A 65 3.647 -16.720 4.074 1.00 43.30 C ATOM 1037 C ARG A 65 3.433 -16.365 5.542 1.00 64.00 C ATOM 1038 O ARG A 65 4.267 -16.732 6.377 1.00 34.12 O ATOM 1039 CB ARG A 65 3.362 -18.209 3.816 1.00 22.14 C ATOM 1040 CG ARG A 65 3.196 -18.563 2.328 1.00 54.11 C ATOM 1041 CD ARG A 65 4.120 -19.690 1.839 1.00 32.13 C ATOM 1042 NE ARG A 65 5.324 -19.163 1.180 1.00 41.44 N ATOM 1043 CZ ARG A 65 6.357 -19.886 0.733 1.00 70.02 C ATOM 1044 NH1 ARG A 65 6.529 -21.160 1.071 1.00 61.34 N ATOM 1045 NH2 ARG A 65 7.228 -19.311 -0.082 1.00 21.31 N ATOM 0 H ARG A 65 5.690 -17.153 3.994 1.00 4.33 H new ATOM 0 HA ARG A 65 2.967 -16.166 3.427 1.00 43.30 H new ATOM 0 HB2 ARG A 65 4.176 -18.802 4.232 1.00 22.14 H new ATOM 0 HB3 ARG A 65 2.456 -18.493 4.350 1.00 22.14 H new ATOM 0 HG2 ARG A 65 2.161 -18.854 2.149 1.00 54.11 H new ATOM 0 HG3 ARG A 65 3.384 -17.670 1.731 1.00 54.11 H new ATOM 0 HD2 ARG A 65 4.412 -20.313 2.684 1.00 32.13 H new ATOM 0 HD3 ARG A 65 3.576 -20.330 1.144 1.00 32.13 H new ATOM 0 HE ARG A 65 5.377 -18.152 1.052 1.00 41.44 H new ATOM 0 HH11 ARG A 65 5.861 -21.618 1.691 1.00 61.34 H new ATOM 0 HH12 ARG A 65 7.329 -21.680 0.710 1.00 61.34 H new ATOM 0 HH21 ARG A 65 7.103 -18.336 -0.356 1.00 21.31 H new ATOM 0 HH22 ARG A 65 8.024 -19.843 -0.436 1.00 21.31 H new ATOM 1059 N THR A 66 2.341 -15.680 5.828 1.00 22.05 N ATOM 1060 CA THR A 66 1.833 -15.316 7.142 1.00 25.32 C ATOM 1061 C THR A 66 0.642 -16.247 7.420 1.00 51.22 C ATOM 1062 O THR A 66 0.092 -16.861 6.497 1.00 30.32 O ATOM 1063 CB THR A 66 1.465 -13.813 7.123 1.00 2.12 C ATOM 1064 OG1 THR A 66 2.562 -13.050 6.650 1.00 44.23 O ATOM 1065 CG2 THR A 66 1.053 -13.253 8.489 1.00 54.20 C ATOM 0 H THR A 66 1.734 -15.334 5.085 1.00 22.05 H new ATOM 0 HA THR A 66 2.559 -15.442 7.945 1.00 25.32 H new ATOM 0 HB THR A 66 0.602 -13.734 6.461 1.00 2.12 H new ATOM 0 HG1 THR A 66 2.320 -12.100 6.640 1.00 44.23 H new ATOM 0 HG21 THR A 66 0.811 -12.195 8.390 1.00 54.20 H new ATOM 0 HG22 THR A 66 0.179 -13.792 8.855 1.00 54.20 H new ATOM 0 HG23 THR A 66 1.875 -13.373 9.194 1.00 54.20 H new ATOM 1073 N THR A 67 0.254 -16.380 8.686 1.00 54.43 N ATOM 1074 CA THR A 67 -0.502 -17.514 9.181 1.00 30.24 C ATOM 1075 C THR A 67 -1.622 -16.982 10.072 1.00 34.21 C ATOM 1076 O THR A 67 -1.366 -16.624 11.221 1.00 65.43 O ATOM 1077 CB THR A 67 0.442 -18.428 9.988 1.00 72.40 C ATOM 1078 OG1 THR A 67 1.746 -18.551 9.434 1.00 11.54 O ATOM 1079 CG2 THR A 67 -0.226 -19.775 10.238 1.00 41.50 C ATOM 0 H THR A 67 0.463 -15.687 9.405 1.00 54.43 H new ATOM 0 HA THR A 67 -0.931 -18.090 8.361 1.00 30.24 H new ATOM 0 HB THR A 67 0.613 -17.943 10.949 1.00 72.40 H new ATOM 0 HG1 THR A 67 2.287 -19.142 9.998 1.00 11.54 H new ATOM 0 HG21 THR A 67 0.447 -20.415 10.809 1.00 41.50 H new ATOM 0 HG22 THR A 67 -1.148 -19.625 10.800 1.00 41.50 H new ATOM 0 HG23 THR A 67 -0.456 -20.250 9.284 1.00 41.50 H new ATOM 1087 N GLU A 68 -2.843 -16.889 9.546 1.00 31.14 N ATOM 1088 CA GLU A 68 -3.951 -16.296 10.285 1.00 30.24 C ATOM 1089 C GLU A 68 -4.320 -17.109 11.525 1.00 44.11 C ATOM 1090 O GLU A 68 -4.151 -18.337 11.558 1.00 13.12 O ATOM 1091 CB GLU A 68 -5.193 -16.163 9.400 1.00 64.32 C ATOM 1092 CG GLU A 68 -5.087 -14.992 8.417 1.00 41.41 C ATOM 1093 CD GLU A 68 -6.487 -14.441 8.114 1.00 22.21 C ATOM 1094 OE1 GLU A 68 -7.139 -14.921 7.157 1.00 13.12 O ATOM 1095 OE2 GLU A 68 -6.941 -13.566 8.883 1.00 33.02 O ATOM 0 H GLU A 68 -3.087 -17.217 8.612 1.00 31.14 H new ATOM 0 HA GLU A 68 -3.612 -15.310 10.602 1.00 30.24 H new ATOM 0 HB2 GLU A 68 -5.340 -17.089 8.844 1.00 64.32 H new ATOM 0 HB3 GLU A 68 -6.072 -16.027 10.030 1.00 64.32 H new ATOM 0 HG2 GLU A 68 -4.460 -14.206 8.839 1.00 41.41 H new ATOM 0 HG3 GLU A 68 -4.608 -15.321 7.495 1.00 41.41 H new ATOM 1102 N GLU A 69 -4.934 -16.419 12.488 1.00 31.24 N ATOM 1103 CA GLU A 69 -5.298 -16.914 13.818 1.00 23.21 C ATOM 1104 C GLU A 69 -6.471 -17.901 13.772 1.00 65.44 C ATOM 1105 O GLU A 69 -6.812 -18.517 14.782 1.00 45.53 O ATOM 1106 CB GLU A 69 -5.602 -15.709 14.736 1.00 45.34 C ATOM 1107 CG GLU A 69 -5.127 -15.901 16.194 1.00 42.12 C ATOM 1108 CD GLU A 69 -4.813 -14.568 16.889 1.00 21.05 C ATOM 1109 OE1 GLU A 69 -4.156 -13.707 16.253 1.00 30.44 O ATOM 1110 OE2 GLU A 69 -5.203 -14.341 18.056 1.00 13.12 O ATOM 0 H GLU A 69 -5.206 -15.445 12.354 1.00 31.24 H new ATOM 0 HA GLU A 69 -4.456 -17.474 14.224 1.00 23.21 H new ATOM 0 HB2 GLU A 69 -5.126 -14.820 14.323 1.00 45.34 H new ATOM 0 HB3 GLU A 69 -6.676 -15.525 14.735 1.00 45.34 H new ATOM 0 HG2 GLU A 69 -5.897 -16.429 16.757 1.00 42.12 H new ATOM 0 HG3 GLU A 69 -4.237 -16.531 16.203 1.00 42.12 H new ATOM 1117 N GLU A 70 -7.051 -18.089 12.588 1.00 50.31 N ATOM 1118 CA GLU A 70 -8.238 -18.876 12.333 1.00 51.43 C ATOM 1119 C GLU A 70 -8.103 -19.839 11.147 1.00 21.42 C ATOM 1120 O GLU A 70 -9.040 -20.583 10.856 1.00 62.41 O ATOM 1121 CB GLU A 70 -9.434 -17.929 12.194 1.00 51.10 C ATOM 1122 CG GLU A 70 -9.391 -17.102 10.899 1.00 32.35 C ATOM 1123 CD GLU A 70 -10.658 -16.267 10.750 1.00 1.51 C ATOM 1124 OE1 GLU A 70 -11.760 -16.853 10.655 1.00 21.05 O ATOM 1125 OE2 GLU A 70 -10.541 -15.019 10.738 1.00 32.21 O ATOM 0 H GLU A 70 -6.677 -17.668 11.737 1.00 50.31 H new ATOM 0 HA GLU A 70 -8.396 -19.538 13.185 1.00 51.43 H new ATOM 0 HB2 GLU A 70 -10.356 -18.510 12.219 1.00 51.10 H new ATOM 0 HB3 GLU A 70 -9.459 -17.255 13.050 1.00 51.10 H new ATOM 0 HG2 GLU A 70 -8.518 -16.449 10.907 1.00 32.35 H new ATOM 0 HG3 GLU A 70 -9.284 -17.766 10.041 1.00 32.35 H new ATOM 1132 N GLY A 71 -6.941 -19.881 10.490 1.00 14.51 N ATOM 1133 CA GLY A 71 -6.709 -20.773 9.361 1.00 30.21 C ATOM 1134 C GLY A 71 -6.915 -20.034 8.047 1.00 2.51 C ATOM 1135 O GLY A 71 -8.023 -19.993 7.517 1.00 3.25 O ATOM 0 H GLY A 71 -6.139 -19.297 10.728 1.00 14.51 H new ATOM 0 HA2 GLY A 71 -5.695 -21.171 9.406 1.00 30.21 H new ATOM 0 HA3 GLY A 71 -7.388 -21.624 9.417 1.00 30.21 H new ATOM 1139 N GLY A 72 -5.827 -19.471 7.531 1.00 33.31 N ATOM 1140 CA GLY A 72 -5.705 -18.797 6.250 1.00 23.41 C ATOM 1141 C GLY A 72 -4.224 -18.474 6.047 1.00 62.02 C ATOM 1142 O GLY A 72 -3.500 -18.243 7.030 1.00 63.23 O ATOM 0 H GLY A 72 -4.942 -19.476 8.039 1.00 33.31 H new ATOM 0 HA2 GLY A 72 -6.074 -19.432 5.445 1.00 23.41 H new ATOM 0 HA3 GLY A 72 -6.303 -17.886 6.237 1.00 23.41 H new ATOM 1146 N THR A 73 -3.771 -18.462 4.797 1.00 44.43 N ATOM 1147 CA THR A 73 -2.370 -18.382 4.410 1.00 1.31 C ATOM 1148 C THR A 73 -2.178 -17.091 3.614 1.00 41.13 C ATOM 1149 O THR A 73 -2.401 -17.058 2.404 1.00 65.03 O ATOM 1150 CB THR A 73 -2.003 -19.652 3.619 1.00 61.10 C ATOM 1151 OG1 THR A 73 -2.291 -20.814 4.381 1.00 25.12 O ATOM 1152 CG2 THR A 73 -0.520 -19.671 3.242 1.00 25.01 C ATOM 0 H THR A 73 -4.398 -18.510 3.994 1.00 44.43 H new ATOM 0 HA THR A 73 -1.700 -18.343 5.269 1.00 1.31 H new ATOM 0 HB THR A 73 -2.601 -19.644 2.708 1.00 61.10 H new ATOM 0 HG1 THR A 73 -2.054 -21.612 3.863 1.00 25.12 H new ATOM 0 HG21 THR A 73 -0.298 -20.581 2.685 1.00 25.01 H new ATOM 0 HG22 THR A 73 -0.290 -18.803 2.624 1.00 25.01 H new ATOM 0 HG23 THR A 73 0.086 -19.643 4.148 1.00 25.01 H new ATOM 1160 N TYR A 74 -1.803 -16.005 4.294 1.00 54.32 N ATOM 1161 CA TYR A 74 -1.628 -14.703 3.661 1.00 53.53 C ATOM 1162 C TYR A 74 -0.197 -14.598 3.149 1.00 11.42 C ATOM 1163 O TYR A 74 0.736 -14.490 3.942 1.00 45.11 O ATOM 1164 CB TYR A 74 -1.964 -13.568 4.641 1.00 73.20 C ATOM 1165 CG TYR A 74 -2.066 -12.190 4.006 1.00 34.21 C ATOM 1166 CD1 TYR A 74 -2.880 -12.004 2.874 1.00 73.42 C ATOM 1167 CD2 TYR A 74 -1.396 -11.082 4.563 1.00 61.31 C ATOM 1168 CE1 TYR A 74 -3.058 -10.732 2.312 1.00 42.33 C ATOM 1169 CE2 TYR A 74 -1.584 -9.796 4.019 1.00 64.13 C ATOM 1170 CZ TYR A 74 -2.448 -9.612 2.915 1.00 44.24 C ATOM 1171 OH TYR A 74 -2.728 -8.360 2.460 1.00 51.51 O ATOM 0 H TYR A 74 -1.613 -16.007 5.296 1.00 54.32 H new ATOM 0 HA TYR A 74 -2.315 -14.605 2.820 1.00 53.53 H new ATOM 0 HB2 TYR A 74 -2.910 -13.798 5.132 1.00 73.20 H new ATOM 0 HB3 TYR A 74 -1.200 -13.539 5.418 1.00 73.20 H new ATOM 0 HD1 TYR A 74 -3.376 -12.855 2.431 1.00 73.42 H new ATOM 0 HD2 TYR A 74 -0.738 -11.219 5.408 1.00 61.31 H new ATOM 0 HE1 TYR A 74 -3.659 -10.610 1.423 1.00 42.33 H new ATOM 0 HE2 TYR A 74 -1.067 -8.949 4.446 1.00 64.13 H new ATOM 0 HH TYR A 74 -2.226 -7.702 2.984 1.00 51.51 H new ATOM 1181 N ILE A 75 0.021 -14.690 1.845 1.00 63.33 N ATOM 1182 CA ILE A 75 1.327 -14.461 1.248 1.00 25.03 C ATOM 1183 C ILE A 75 1.560 -12.949 1.201 1.00 23.11 C ATOM 1184 O ILE A 75 0.634 -12.146 1.065 1.00 70.44 O ATOM 1185 CB ILE A 75 1.414 -15.146 -0.134 1.00 62.20 C ATOM 1186 CG1 ILE A 75 1.113 -16.662 -0.014 1.00 50.34 C ATOM 1187 CG2 ILE A 75 2.817 -14.982 -0.741 1.00 1.41 C ATOM 1188 CD1 ILE A 75 -0.284 -17.027 -0.508 1.00 41.50 C ATOM 0 H ILE A 75 -0.706 -14.926 1.170 1.00 63.33 H new ATOM 0 HA ILE A 75 2.124 -14.908 1.843 1.00 25.03 H new ATOM 0 HB ILE A 75 0.675 -14.669 -0.778 1.00 62.20 H new ATOM 0 HG12 ILE A 75 1.854 -17.221 -0.586 1.00 50.34 H new ATOM 0 HG13 ILE A 75 1.217 -16.967 1.027 1.00 50.34 H new ATOM 0 HG21 ILE A 75 2.852 -15.473 -1.714 1.00 1.41 H new ATOM 0 HG22 ILE A 75 3.040 -13.922 -0.861 1.00 1.41 H new ATOM 0 HG23 ILE A 75 3.555 -15.435 -0.079 1.00 1.41 H new ATOM 0 HD11 ILE A 75 -0.439 -18.101 -0.400 1.00 41.50 H new ATOM 0 HD12 ILE A 75 -1.029 -16.492 0.080 1.00 41.50 H new ATOM 0 HD13 ILE A 75 -0.383 -16.750 -1.558 1.00 41.50 H new ATOM 1200 N SER A 76 2.811 -12.528 1.349 1.00 43.44 N ATOM 1201 CA SER A 76 3.237 -11.142 1.232 1.00 65.34 C ATOM 1202 C SER A 76 4.698 -11.178 0.809 1.00 2.42 C ATOM 1203 O SER A 76 5.476 -11.884 1.455 1.00 14.11 O ATOM 1204 CB SER A 76 3.083 -10.454 2.591 1.00 62.34 C ATOM 1205 OG SER A 76 1.753 -10.575 3.074 1.00 45.40 O ATOM 0 H SER A 76 3.580 -13.164 1.560 1.00 43.44 H new ATOM 0 HA SER A 76 2.641 -10.588 0.507 1.00 65.34 H new ATOM 0 HB2 SER A 76 3.776 -10.896 3.307 1.00 62.34 H new ATOM 0 HB3 SER A 76 3.347 -9.400 2.501 1.00 62.34 H new ATOM 0 HG SER A 76 1.679 -10.129 3.944 1.00 45.40 H new ATOM 1211 N HIS A 77 5.074 -10.507 -0.281 1.00 23.43 N ATOM 1212 CA HIS A 77 6.446 -10.482 -0.775 1.00 34.33 C ATOM 1213 C HIS A 77 6.599 -9.460 -1.896 1.00 41.51 C ATOM 1214 O HIS A 77 5.628 -8.846 -2.338 1.00 54.10 O ATOM 1215 CB HIS A 77 6.886 -11.889 -1.243 1.00 61.33 C ATOM 1216 CG HIS A 77 5.930 -12.651 -2.139 1.00 34.21 C ATOM 1217 ND1 HIS A 77 5.929 -14.022 -2.279 1.00 64.14 N ATOM 1218 CD2 HIS A 77 4.941 -12.153 -2.955 1.00 51.13 C ATOM 1219 CE1 HIS A 77 4.992 -14.338 -3.188 1.00 34.43 C ATOM 1220 NE2 HIS A 77 4.362 -13.237 -3.618 1.00 10.12 N ATOM 0 H HIS A 77 4.426 -9.961 -0.849 1.00 23.43 H new ATOM 0 HA HIS A 77 7.098 -10.181 0.045 1.00 34.33 H new ATOM 0 HB2 HIS A 77 7.835 -11.788 -1.770 1.00 61.33 H new ATOM 0 HB3 HIS A 77 7.075 -12.496 -0.358 1.00 61.33 H new ATOM 0 HD2 HIS A 77 4.663 -11.115 -3.063 1.00 51.13 H new ATOM 0 HE1 HIS A 77 4.776 -15.341 -3.525 1.00 34.43 H new ATOM 0 HE2 HIS A 77 3.604 -13.198 -4.300 1.00 10.12 H new ATOM 1228 N PHE A 78 7.828 -9.282 -2.384 1.00 11.05 N ATOM 1229 CA PHE A 78 8.019 -8.696 -3.705 1.00 30.25 C ATOM 1230 C PHE A 78 7.815 -9.811 -4.735 1.00 31.24 C ATOM 1231 O PHE A 78 8.064 -10.985 -4.427 1.00 23.24 O ATOM 1232 CB PHE A 78 9.397 -8.025 -3.796 1.00 31.32 C ATOM 1233 CG PHE A 78 9.540 -6.845 -2.844 1.00 63.43 C ATOM 1234 CD1 PHE A 78 9.885 -7.061 -1.494 1.00 74.04 C ATOM 1235 CD2 PHE A 78 9.263 -5.536 -3.285 1.00 73.14 C ATOM 1236 CE1 PHE A 78 9.918 -5.986 -0.587 1.00 25.33 C ATOM 1237 CE2 PHE A 78 9.312 -4.459 -2.382 1.00 22.45 C ATOM 1238 CZ PHE A 78 9.619 -4.685 -1.029 1.00 3.25 C ATOM 0 H PHE A 78 8.687 -9.530 -1.894 1.00 11.05 H new ATOM 0 HA PHE A 78 7.296 -7.905 -3.904 1.00 30.25 H new ATOM 0 HB2 PHE A 78 10.170 -8.761 -3.575 1.00 31.32 H new ATOM 0 HB3 PHE A 78 9.564 -7.684 -4.818 1.00 31.32 H new ATOM 0 HD1 PHE A 78 10.125 -8.058 -1.154 1.00 74.04 H new ATOM 0 HD2 PHE A 78 9.012 -5.359 -4.320 1.00 73.14 H new ATOM 0 HE1 PHE A 78 10.173 -6.160 0.448 1.00 25.33 H new ATOM 0 HE2 PHE A 78 9.113 -3.456 -2.729 1.00 22.45 H new ATOM 0 HZ PHE A 78 9.625 -3.861 -0.331 1.00 3.25 H new ATOM 1248 N THR A 79 7.367 -9.465 -5.939 1.00 74.54 N ATOM 1249 CA THR A 79 7.078 -10.420 -7.017 1.00 23.34 C ATOM 1250 C THR A 79 7.996 -10.224 -8.224 1.00 61.34 C ATOM 1251 O THR A 79 7.824 -10.870 -9.256 1.00 24.35 O ATOM 1252 CB THR A 79 5.583 -10.359 -7.381 1.00 34.24 C ATOM 1253 OG1 THR A 79 5.073 -9.038 -7.292 1.00 74.24 O ATOM 1254 CG2 THR A 79 4.799 -11.257 -6.414 1.00 4.41 C ATOM 0 H THR A 79 7.190 -8.496 -6.202 1.00 74.54 H new ATOM 0 HA THR A 79 7.292 -11.427 -6.658 1.00 23.34 H new ATOM 0 HB THR A 79 5.471 -10.699 -8.411 1.00 34.24 H new ATOM 0 HG1 THR A 79 4.163 -9.013 -7.655 1.00 74.24 H new ATOM 0 HG21 THR A 79 3.738 -11.221 -6.663 1.00 4.41 H new ATOM 0 HG22 THR A 79 5.157 -12.283 -6.499 1.00 4.41 H new ATOM 0 HG23 THR A 79 4.944 -10.905 -5.392 1.00 4.41 H new ATOM 1262 N VAL A 80 8.972 -9.331 -8.115 1.00 33.45 N ATOM 1263 CA VAL A 80 9.940 -9.012 -9.144 1.00 44.22 C ATOM 1264 C VAL A 80 11.255 -8.716 -8.420 1.00 33.22 C ATOM 1265 O VAL A 80 11.266 -8.249 -7.273 1.00 72.30 O ATOM 1266 CB VAL A 80 9.397 -7.861 -10.025 1.00 54.44 C ATOM 1267 CG1 VAL A 80 8.800 -6.746 -9.171 1.00 32.24 C ATOM 1268 CG2 VAL A 80 10.427 -7.284 -11.006 1.00 52.21 C ATOM 0 H VAL A 80 9.112 -8.786 -7.264 1.00 33.45 H new ATOM 0 HA VAL A 80 10.122 -9.828 -9.843 1.00 44.22 H new ATOM 0 HB VAL A 80 8.613 -8.312 -10.634 1.00 54.44 H new ATOM 0 HG11 VAL A 80 8.427 -5.952 -9.818 1.00 32.24 H new ATOM 0 HG12 VAL A 80 7.979 -7.144 -8.575 1.00 32.24 H new ATOM 0 HG13 VAL A 80 9.567 -6.344 -8.509 1.00 32.24 H new ATOM 0 HG21 VAL A 80 9.968 -6.483 -11.586 1.00 52.21 H new ATOM 0 HG22 VAL A 80 11.277 -6.889 -10.450 1.00 52.21 H new ATOM 0 HG23 VAL A 80 10.768 -8.070 -11.680 1.00 52.21 H new ATOM 1278 N ASN A 81 12.372 -8.983 -9.089 1.00 70.51 N ATOM 1279 CA ASN A 81 13.718 -8.826 -8.572 1.00 25.13 C ATOM 1280 C ASN A 81 14.557 -8.160 -9.654 1.00 12.01 C ATOM 1281 O ASN A 81 15.225 -8.825 -10.446 1.00 3.25 O ATOM 1282 CB ASN A 81 14.276 -10.191 -8.140 1.00 42.01 C ATOM 1283 CG ASN A 81 15.756 -10.101 -7.815 1.00 4.25 C ATOM 1284 OD1 ASN A 81 16.143 -9.634 -6.749 1.00 42.41 O ATOM 1285 ND2 ASN A 81 16.635 -10.489 -8.724 1.00 32.31 N ATOM 0 H ASN A 81 12.358 -9.330 -10.048 1.00 70.51 H new ATOM 0 HA ASN A 81 13.734 -8.194 -7.684 1.00 25.13 H new ATOM 0 HB2 ASN A 81 13.731 -10.550 -7.267 1.00 42.01 H new ATOM 0 HB3 ASN A 81 14.119 -10.919 -8.936 1.00 42.01 H new ATOM 0 HD21 ASN A 81 17.634 -10.400 -8.538 1.00 32.31 H new ATOM 0 HD22 ASN A 81 16.314 -10.877 -9.611 1.00 32.31 H new ATOM 1292 N GLU A 82 14.534 -6.834 -9.692 1.00 54.32 N ATOM 1293 CA GLU A 82 15.374 -6.025 -10.570 1.00 62.30 C ATOM 1294 C GLU A 82 15.993 -4.899 -9.741 1.00 65.11 C ATOM 1295 O GLU A 82 15.380 -4.489 -8.756 1.00 74.23 O ATOM 1296 CB GLU A 82 14.521 -5.451 -11.696 1.00 61.13 C ATOM 1297 CG GLU A 82 14.020 -6.493 -12.694 1.00 21.32 C ATOM 1298 CD GLU A 82 15.147 -6.994 -13.601 1.00 73.21 C ATOM 1299 OE1 GLU A 82 15.619 -6.174 -14.419 1.00 33.45 O ATOM 1300 OE2 GLU A 82 15.585 -8.165 -13.516 1.00 73.42 O ATOM 0 H GLU A 82 13.917 -6.277 -9.100 1.00 54.32 H new ATOM 0 HA GLU A 82 16.166 -6.631 -11.010 1.00 62.30 H new ATOM 0 HB2 GLU A 82 13.663 -4.938 -11.262 1.00 61.13 H new ATOM 0 HB3 GLU A 82 15.103 -4.701 -12.232 1.00 61.13 H new ATOM 0 HG2 GLU A 82 13.585 -7.335 -12.155 1.00 21.32 H new ATOM 0 HG3 GLU A 82 13.226 -6.061 -13.304 1.00 21.32 H new ATOM 1307 N PRO A 83 17.150 -4.344 -10.143 1.00 22.31 N ATOM 1308 CA PRO A 83 17.904 -3.412 -9.308 1.00 52.13 C ATOM 1309 C PRO A 83 17.138 -2.122 -8.996 1.00 2.03 C ATOM 1310 O PRO A 83 17.336 -1.553 -7.926 1.00 11.43 O ATOM 1311 CB PRO A 83 19.220 -3.147 -10.055 1.00 73.30 C ATOM 1312 CG PRO A 83 18.908 -3.534 -11.499 1.00 70.40 C ATOM 1313 CD PRO A 83 17.909 -4.673 -11.341 1.00 14.22 C ATOM 0 HA PRO A 83 18.087 -3.845 -8.325 1.00 52.13 H new ATOM 0 HB2 PRO A 83 19.520 -2.102 -9.977 1.00 73.30 H new ATOM 0 HB3 PRO A 83 20.037 -3.744 -9.649 1.00 73.30 H new ATOM 0 HG2 PRO A 83 18.484 -2.700 -12.058 1.00 70.40 H new ATOM 0 HG3 PRO A 83 19.803 -3.853 -12.033 1.00 70.40 H new ATOM 0 HD2 PRO A 83 17.258 -4.751 -12.212 1.00 14.22 H new ATOM 0 HD3 PRO A 83 18.417 -5.632 -11.236 1.00 14.22 H new ATOM 1321 N ALA A 84 16.226 -1.674 -9.866 1.00 63.14 N ATOM 1322 CA ALA A 84 15.586 -0.366 -9.731 1.00 71.13 C ATOM 1323 C ALA A 84 14.078 -0.379 -10.019 1.00 25.34 C ATOM 1324 O ALA A 84 13.473 0.675 -10.235 1.00 63.11 O ATOM 1325 CB ALA A 84 16.310 0.596 -10.677 1.00 23.41 C ATOM 0 H ALA A 84 15.914 -2.206 -10.678 1.00 63.14 H new ATOM 0 HA ALA A 84 15.669 -0.048 -8.692 1.00 71.13 H new ATOM 0 HB1 ALA A 84 15.859 1.586 -10.604 1.00 23.41 H new ATOM 0 HB2 ALA A 84 17.363 0.655 -10.400 1.00 23.41 H new ATOM 0 HB3 ALA A 84 16.224 0.233 -11.701 1.00 23.41 H new ATOM 1331 N HIS A 85 13.474 -1.564 -10.099 1.00 64.22 N ATOM 1332 CA HIS A 85 12.125 -1.752 -10.600 1.00 23.14 C ATOM 1333 C HIS A 85 11.544 -2.923 -9.824 1.00 45.22 C ATOM 1334 O HIS A 85 11.816 -4.073 -10.170 1.00 32.13 O ATOM 1335 CB HIS A 85 12.254 -2.039 -12.102 1.00 53.20 C ATOM 1336 CG HIS A 85 11.003 -2.542 -12.755 1.00 21.12 C ATOM 1337 ND1 HIS A 85 10.734 -3.855 -13.060 1.00 21.31 N ATOM 1338 CD2 HIS A 85 9.983 -1.778 -13.239 1.00 10.43 C ATOM 1339 CE1 HIS A 85 9.584 -3.883 -13.746 1.00 65.53 C ATOM 1340 NE2 HIS A 85 9.091 -2.639 -13.885 1.00 24.12 N ATOM 0 H HIS A 85 13.923 -2.433 -9.810 1.00 64.22 H new ATOM 0 HA HIS A 85 11.469 -0.891 -10.472 1.00 23.14 H new ATOM 0 HB2 HIS A 85 12.568 -1.125 -12.607 1.00 53.20 H new ATOM 0 HB3 HIS A 85 13.045 -2.774 -12.251 1.00 53.20 H new ATOM 0 HD2 HIS A 85 9.883 -0.707 -13.142 1.00 10.43 H new ATOM 0 HE1 HIS A 85 9.118 -4.777 -14.133 1.00 65.53 H new ATOM 0 HE2 HIS A 85 8.232 -2.375 -14.368 1.00 24.12 H new ATOM 1348 N LYS A 86 10.848 -2.665 -8.718 1.00 62.42 N ATOM 1349 CA LYS A 86 10.321 -3.750 -7.895 1.00 31.12 C ATOM 1350 C LYS A 86 8.905 -3.385 -7.479 1.00 30.41 C ATOM 1351 O LYS A 86 8.612 -2.222 -7.237 1.00 43.40 O ATOM 1352 CB LYS A 86 11.223 -4.031 -6.676 1.00 44.14 C ATOM 1353 CG LYS A 86 12.649 -4.441 -7.091 1.00 21.44 C ATOM 1354 CD LYS A 86 13.478 -5.141 -6.007 1.00 1.34 C ATOM 1355 CE LYS A 86 13.769 -4.257 -4.791 1.00 32.43 C ATOM 1356 NZ LYS A 86 12.750 -4.375 -3.735 1.00 33.21 N ATOM 0 H LYS A 86 10.638 -1.727 -8.375 1.00 62.42 H new ATOM 0 HA LYS A 86 10.304 -4.674 -8.473 1.00 31.12 H new ATOM 0 HB2 LYS A 86 11.271 -3.141 -6.048 1.00 44.14 H new ATOM 0 HB3 LYS A 86 10.780 -4.823 -6.073 1.00 44.14 H new ATOM 0 HG2 LYS A 86 12.581 -5.102 -7.955 1.00 21.44 H new ATOM 0 HG3 LYS A 86 13.185 -3.549 -7.414 1.00 21.44 H new ATOM 0 HD2 LYS A 86 12.949 -6.035 -5.677 1.00 1.34 H new ATOM 0 HD3 LYS A 86 14.422 -5.471 -6.440 1.00 1.34 H new ATOM 0 HE2 LYS A 86 14.743 -4.524 -4.380 1.00 32.43 H new ATOM 0 HE3 LYS A 86 13.833 -3.217 -5.112 1.00 32.43 H new ATOM 0 HZ1 LYS A 86 12.596 -3.445 -3.296 1.00 33.21 H new ATOM 0 HZ2 LYS A 86 11.858 -4.714 -4.149 1.00 33.21 H new ATOM 0 HZ3 LYS A 86 13.075 -5.049 -3.013 1.00 33.21 H new ATOM 1370 N GLU A 87 8.043 -4.371 -7.274 1.00 1.45 N ATOM 1371 CA GLU A 87 6.715 -4.158 -6.725 1.00 2.25 C ATOM 1372 C GLU A 87 6.452 -5.224 -5.676 1.00 64.23 C ATOM 1373 O GLU A 87 6.990 -6.336 -5.732 1.00 31.14 O ATOM 1374 CB GLU A 87 5.603 -4.078 -7.795 1.00 13.04 C ATOM 1375 CG GLU A 87 5.860 -4.910 -9.047 1.00 74.34 C ATOM 1376 CD GLU A 87 4.721 -4.865 -10.070 1.00 5.41 C ATOM 1377 OE1 GLU A 87 4.109 -3.794 -10.302 1.00 5.15 O ATOM 1378 OE2 GLU A 87 4.379 -5.921 -10.638 1.00 25.25 O ATOM 0 H GLU A 87 8.249 -5.347 -7.486 1.00 1.45 H new ATOM 0 HA GLU A 87 6.689 -3.174 -6.256 1.00 2.25 H new ATOM 0 HB2 GLU A 87 4.663 -4.401 -7.347 1.00 13.04 H new ATOM 0 HB3 GLU A 87 5.474 -3.036 -8.088 1.00 13.04 H new ATOM 0 HG2 GLU A 87 6.776 -4.559 -9.523 1.00 74.34 H new ATOM 0 HG3 GLU A 87 6.030 -5.946 -8.754 1.00 74.34 H new ATOM 1385 N PHE A 88 5.663 -4.830 -4.683 1.00 31.25 N ATOM 1386 CA PHE A 88 5.184 -5.667 -3.603 1.00 61.52 C ATOM 1387 C PHE A 88 3.785 -6.158 -3.948 1.00 13.21 C ATOM 1388 O PHE A 88 3.003 -5.417 -4.553 1.00 25.53 O ATOM 1389 CB PHE A 88 5.150 -4.845 -2.314 1.00 65.22 C ATOM 1390 CG PHE A 88 5.069 -5.682 -1.060 1.00 12.42 C ATOM 1391 CD1 PHE A 88 6.246 -6.218 -0.514 1.00 4.43 C ATOM 1392 CD2 PHE A 88 3.834 -5.913 -0.428 1.00 1.43 C ATOM 1393 CE1 PHE A 88 6.195 -6.971 0.668 1.00 24.31 C ATOM 1394 CE2 PHE A 88 3.779 -6.672 0.754 1.00 50.22 C ATOM 1395 CZ PHE A 88 4.960 -7.202 1.299 1.00 23.44 C ATOM 0 H PHE A 88 5.327 -3.870 -4.611 1.00 31.25 H new ATOM 0 HA PHE A 88 5.843 -6.524 -3.463 1.00 61.52 H new ATOM 0 HB2 PHE A 88 6.044 -4.223 -2.267 1.00 65.22 H new ATOM 0 HB3 PHE A 88 4.294 -4.171 -2.346 1.00 65.22 H new ATOM 0 HD1 PHE A 88 7.193 -6.050 -1.005 1.00 4.43 H new ATOM 0 HD2 PHE A 88 2.927 -5.507 -0.851 1.00 1.43 H new ATOM 0 HE1 PHE A 88 7.103 -7.373 1.093 1.00 24.31 H new ATOM 0 HE2 PHE A 88 2.831 -6.847 1.242 1.00 50.22 H new ATOM 0 HZ PHE A 88 4.919 -7.788 2.205 1.00 23.44 H new ATOM 1405 N GLU A 89 3.461 -7.365 -3.500 1.00 30.22 N ATOM 1406 CA GLU A 89 2.165 -8.006 -3.610 1.00 63.40 C ATOM 1407 C GLU A 89 1.880 -8.687 -2.268 1.00 5.15 C ATOM 1408 O GLU A 89 2.777 -9.297 -1.677 1.00 10.42 O ATOM 1409 CB GLU A 89 2.193 -9.040 -4.748 1.00 1.02 C ATOM 1410 CG GLU A 89 1.908 -8.414 -6.124 1.00 12.43 C ATOM 1411 CD GLU A 89 1.787 -9.470 -7.223 1.00 10.32 C ATOM 1412 OE1 GLU A 89 0.955 -10.392 -7.081 1.00 41.21 O ATOM 1413 OE2 GLU A 89 2.509 -9.390 -8.249 1.00 31.54 O ATOM 0 H GLU A 89 4.141 -7.955 -3.021 1.00 30.22 H new ATOM 0 HA GLU A 89 1.384 -7.280 -3.838 1.00 63.40 H new ATOM 0 HB2 GLU A 89 3.169 -9.525 -4.769 1.00 1.02 H new ATOM 0 HB3 GLU A 89 1.455 -9.817 -4.546 1.00 1.02 H new ATOM 0 HG2 GLU A 89 0.985 -7.836 -6.074 1.00 12.43 H new ATOM 0 HG3 GLU A 89 2.707 -7.718 -6.377 1.00 12.43 H new ATOM 1420 N ALA A 90 0.634 -8.636 -1.801 1.00 31.21 N ATOM 1421 CA ALA A 90 0.125 -9.547 -0.783 1.00 62.31 C ATOM 1422 C ALA A 90 -1.286 -9.969 -1.164 1.00 33.55 C ATOM 1423 O ALA A 90 -2.006 -9.218 -1.826 1.00 52.34 O ATOM 1424 CB ALA A 90 0.134 -8.909 0.611 1.00 50.51 C ATOM 0 H ALA A 90 -0.054 -7.955 -2.122 1.00 31.21 H new ATOM 0 HA ALA A 90 0.778 -10.418 -0.738 1.00 62.31 H new ATOM 0 HB1 ALA A 90 -0.253 -9.621 1.340 1.00 50.51 H new ATOM 0 HB2 ALA A 90 1.154 -8.634 0.879 1.00 50.51 H new ATOM 0 HB3 ALA A 90 -0.493 -8.017 0.607 1.00 50.51 H new ATOM 1430 N GLY A 91 -1.685 -11.149 -0.708 1.00 3.23 N ATOM 1431 CA GLY A 91 -2.943 -11.812 -0.996 1.00 24.31 C ATOM 1432 C GLY A 91 -2.939 -13.172 -0.325 1.00 30.33 C ATOM 1433 O GLY A 91 -1.925 -13.578 0.243 1.00 1.24 O ATOM 0 H GLY A 91 -1.096 -11.703 -0.086 1.00 3.23 H new ATOM 0 HA2 GLY A 91 -3.778 -11.213 -0.632 1.00 24.31 H new ATOM 0 HA3 GLY A 91 -3.075 -11.922 -2.072 1.00 24.31 H new ATOM 1437 N TYR A 92 -4.064 -13.874 -0.351 1.00 72.11 N ATOM 1438 CA TYR A 92 -4.134 -15.213 0.211 1.00 10.24 C ATOM 1439 C TYR A 92 -3.752 -16.236 -0.857 1.00 45.22 C ATOM 1440 O TYR A 92 -3.541 -15.904 -2.032 1.00 41.02 O ATOM 1441 CB TYR A 92 -5.508 -15.426 0.857 1.00 32.44 C ATOM 1442 CG TYR A 92 -5.668 -14.600 2.113 1.00 10.42 C ATOM 1443 CD1 TYR A 92 -6.053 -13.250 2.011 1.00 62.10 C ATOM 1444 CD2 TYR A 92 -5.383 -15.155 3.371 1.00 5.51 C ATOM 1445 CE1 TYR A 92 -6.136 -12.447 3.154 1.00 1.13 C ATOM 1446 CE2 TYR A 92 -5.461 -14.353 4.521 1.00 34.31 C ATOM 1447 CZ TYR A 92 -5.830 -12.993 4.418 1.00 4.32 C ATOM 1448 OH TYR A 92 -5.852 -12.194 5.521 1.00 32.41 O ATOM 0 H TYR A 92 -4.938 -13.538 -0.755 1.00 72.11 H new ATOM 0 HA TYR A 92 -3.411 -15.349 1.015 1.00 10.24 H new ATOM 0 HB2 TYR A 92 -6.290 -15.162 0.145 1.00 32.44 H new ATOM 0 HB3 TYR A 92 -5.638 -16.481 1.096 1.00 32.44 H new ATOM 0 HD1 TYR A 92 -6.286 -12.831 1.043 1.00 62.10 H new ATOM 0 HD2 TYR A 92 -5.105 -16.195 3.454 1.00 5.51 H new ATOM 0 HE1 TYR A 92 -6.433 -11.412 3.069 1.00 1.13 H new ATOM 0 HE2 TYR A 92 -5.238 -14.778 5.489 1.00 34.31 H new ATOM 0 HH TYR A 92 -6.510 -11.479 5.394 1.00 32.41 H new ATOM 1458 N ASP A 93 -3.568 -17.484 -0.437 1.00 53.42 N ATOM 1459 CA ASP A 93 -3.456 -18.608 -1.345 1.00 65.51 C ATOM 1460 C ASP A 93 -4.838 -18.885 -1.952 1.00 54.31 C ATOM 1461 O ASP A 93 -5.861 -18.411 -1.447 1.00 54.31 O ATOM 1462 CB ASP A 93 -2.778 -19.786 -0.619 1.00 1.23 C ATOM 1463 CG ASP A 93 -3.655 -20.997 -0.306 1.00 53.34 C ATOM 1464 OD1 ASP A 93 -4.550 -20.862 0.549 1.00 4.52 O ATOM 1465 OD2 ASP A 93 -3.298 -22.101 -0.789 1.00 63.10 O ATOM 0 H ASP A 93 -3.493 -17.739 0.548 1.00 53.42 H new ATOM 0 HA ASP A 93 -2.805 -18.403 -2.195 1.00 65.51 H new ATOM 0 HB2 ASP A 93 -1.938 -20.122 -1.227 1.00 1.23 H new ATOM 0 HB3 ASP A 93 -2.364 -19.415 0.318 1.00 1.23 H new ATOM 1470 N GLU A 94 -4.853 -19.563 -3.099 1.00 65.42 N ATOM 1471 CA GLU A 94 -5.993 -19.813 -3.992 1.00 51.23 C ATOM 1472 C GLU A 94 -6.685 -18.559 -4.579 1.00 2.42 C ATOM 1473 O GLU A 94 -7.439 -18.680 -5.548 1.00 41.14 O ATOM 1474 CB GLU A 94 -6.987 -20.801 -3.338 1.00 23.11 C ATOM 1475 CG GLU A 94 -7.169 -22.064 -4.199 1.00 33.33 C ATOM 1476 CD GLU A 94 -8.060 -23.135 -3.552 1.00 12.13 C ATOM 1477 OE1 GLU A 94 -8.112 -23.234 -2.304 1.00 3.33 O ATOM 1478 OE2 GLU A 94 -8.689 -23.915 -4.303 1.00 25.13 O ATOM 0 H GLU A 94 -3.999 -19.988 -3.461 1.00 65.42 H new ATOM 0 HA GLU A 94 -5.565 -20.278 -4.880 1.00 51.23 H new ATOM 0 HB2 GLU A 94 -6.626 -21.082 -2.349 1.00 23.11 H new ATOM 0 HB3 GLU A 94 -7.951 -20.311 -3.199 1.00 23.11 H new ATOM 0 HG2 GLU A 94 -7.599 -21.779 -5.159 1.00 33.33 H new ATOM 0 HG3 GLU A 94 -6.190 -22.496 -4.405 1.00 33.33 H new ATOM 1485 N SER A 95 -6.390 -17.350 -4.092 1.00 25.51 N ATOM 1486 CA SER A 95 -7.073 -16.102 -4.439 1.00 1.44 C ATOM 1487 C SER A 95 -6.149 -15.134 -5.196 1.00 74.20 C ATOM 1488 O SER A 95 -5.012 -15.474 -5.547 1.00 1.04 O ATOM 1489 CB SER A 95 -7.705 -15.488 -3.176 1.00 21.22 C ATOM 1490 OG SER A 95 -6.972 -15.767 -2.007 1.00 70.50 O ATOM 0 H SER A 95 -5.638 -17.209 -3.418 1.00 25.51 H new ATOM 0 HA SER A 95 -7.883 -16.319 -5.135 1.00 1.44 H new ATOM 0 HB2 SER A 95 -7.781 -14.408 -3.302 1.00 21.22 H new ATOM 0 HB3 SER A 95 -8.720 -15.868 -3.062 1.00 21.22 H new ATOM 0 HG SER A 95 -7.576 -16.114 -1.317 1.00 70.50 H new ATOM 1496 N GLU A 96 -6.672 -13.957 -5.537 1.00 63.52 N ATOM 1497 CA GLU A 96 -5.923 -12.843 -6.100 1.00 3.12 C ATOM 1498 C GLU A 96 -5.286 -12.015 -4.968 1.00 61.20 C ATOM 1499 O GLU A 96 -5.687 -12.136 -3.806 1.00 73.53 O ATOM 1500 CB GLU A 96 -6.906 -11.955 -6.871 1.00 52.34 C ATOM 1501 CG GLU A 96 -7.236 -12.437 -8.285 1.00 2.25 C ATOM 1502 CD GLU A 96 -8.316 -11.574 -8.950 1.00 52.04 C ATOM 1503 OE1 GLU A 96 -8.513 -10.393 -8.572 1.00 34.24 O ATOM 1504 OE2 GLU A 96 -8.967 -12.032 -9.908 1.00 4.32 O ATOM 0 H GLU A 96 -7.664 -13.749 -5.423 1.00 63.52 H new ATOM 0 HA GLU A 96 -5.136 -13.216 -6.756 1.00 3.12 H new ATOM 0 HB2 GLU A 96 -7.833 -11.884 -6.301 1.00 52.34 H new ATOM 0 HB3 GLU A 96 -6.492 -10.949 -6.933 1.00 52.34 H new ATOM 0 HG2 GLU A 96 -6.332 -12.419 -8.894 1.00 2.25 H new ATOM 0 HG3 GLU A 96 -7.573 -13.473 -8.245 1.00 2.25 H new ATOM 1511 N PRO A 97 -4.320 -11.134 -5.283 1.00 10.22 N ATOM 1512 CA PRO A 97 -3.805 -10.176 -4.320 1.00 73.30 C ATOM 1513 C PRO A 97 -4.826 -9.076 -3.975 1.00 52.11 C ATOM 1514 O PRO A 97 -5.869 -8.903 -4.617 1.00 13.04 O ATOM 1515 CB PRO A 97 -2.499 -9.659 -4.932 1.00 62.12 C ATOM 1516 CG PRO A 97 -2.785 -9.722 -6.431 1.00 52.02 C ATOM 1517 CD PRO A 97 -3.636 -10.984 -6.561 1.00 62.31 C ATOM 0 HA PRO A 97 -3.614 -10.631 -3.348 1.00 73.30 H new ATOM 0 HB2 PRO A 97 -2.272 -8.644 -4.605 1.00 62.12 H new ATOM 0 HB3 PRO A 97 -1.648 -10.281 -4.655 1.00 62.12 H new ATOM 0 HG2 PRO A 97 -3.318 -8.837 -6.778 1.00 52.02 H new ATOM 0 HG3 PRO A 97 -1.867 -9.791 -7.015 1.00 52.02 H new ATOM 0 HD2 PRO A 97 -4.351 -10.891 -7.379 1.00 62.31 H new ATOM 0 HD3 PRO A 97 -3.015 -11.854 -6.777 1.00 62.31 H new ATOM 1525 N SER A 98 -4.507 -8.328 -2.920 1.00 65.12 N ATOM 1526 CA SER A 98 -5.292 -7.229 -2.366 1.00 61.20 C ATOM 1527 C SER A 98 -4.405 -6.054 -1.941 1.00 43.31 C ATOM 1528 O SER A 98 -4.897 -5.057 -1.408 1.00 74.34 O ATOM 1529 CB SER A 98 -6.097 -7.757 -1.168 1.00 25.41 C ATOM 1530 OG SER A 98 -7.489 -7.757 -1.416 1.00 31.13 O ATOM 0 H SER A 98 -3.643 -8.483 -2.400 1.00 65.12 H new ATOM 0 HA SER A 98 -5.966 -6.854 -3.136 1.00 61.20 H new ATOM 0 HB2 SER A 98 -5.772 -8.770 -0.933 1.00 25.41 H new ATOM 0 HB3 SER A 98 -5.886 -7.143 -0.292 1.00 25.41 H new ATOM 0 HG SER A 98 -7.957 -7.352 -0.656 1.00 31.13 H new ATOM 1536 N LEU A 99 -3.094 -6.161 -2.151 1.00 11.31 N ATOM 1537 CA LEU A 99 -2.103 -5.191 -1.736 1.00 30.31 C ATOM 1538 C LEU A 99 -1.119 -5.114 -2.887 1.00 13.13 C ATOM 1539 O LEU A 99 -0.579 -6.151 -3.278 1.00 32.51 O ATOM 1540 CB LEU A 99 -1.422 -5.691 -0.447 1.00 45.10 C ATOM 1541 CG LEU A 99 -0.748 -4.630 0.434 1.00 12.53 C ATOM 1542 CD1 LEU A 99 0.289 -3.775 -0.297 1.00 51.20 C ATOM 1543 CD2 LEU A 99 -1.784 -3.702 1.055 1.00 53.51 C ATOM 0 H LEU A 99 -2.685 -6.961 -2.635 1.00 11.31 H new ATOM 0 HA LEU A 99 -2.525 -4.210 -1.518 1.00 30.31 H new ATOM 0 HB2 LEU A 99 -2.170 -6.207 0.155 1.00 45.10 H new ATOM 0 HB3 LEU A 99 -0.670 -6.430 -0.724 1.00 45.10 H new ATOM 0 HG LEU A 99 -0.222 -5.198 1.201 1.00 12.53 H new ATOM 0 HD11 LEU A 99 0.717 -3.051 0.396 1.00 51.20 H new ATOM 0 HD12 LEU A 99 1.080 -4.416 -0.687 1.00 51.20 H new ATOM 0 HD13 LEU A 99 -0.190 -3.248 -1.122 1.00 51.20 H new ATOM 0 HD21 LEU A 99 -1.282 -2.959 1.675 1.00 53.51 H new ATOM 0 HD22 LEU A 99 -2.342 -3.199 0.265 1.00 53.51 H new ATOM 0 HD23 LEU A 99 -2.471 -4.283 1.670 1.00 53.51 H new ATOM 1555 N ARG A 100 -0.889 -3.925 -3.444 1.00 50.20 N ATOM 1556 CA ARG A 100 0.068 -3.745 -4.528 1.00 1.01 C ATOM 1557 C ARG A 100 0.813 -2.435 -4.330 1.00 3.33 C ATOM 1558 O ARG A 100 0.172 -1.404 -4.135 1.00 51.02 O ATOM 1559 CB ARG A 100 -0.665 -3.843 -5.883 1.00 21.23 C ATOM 1560 CG ARG A 100 0.221 -4.546 -6.919 1.00 24.24 C ATOM 1561 CD ARG A 100 -0.574 -5.119 -8.102 1.00 5.14 C ATOM 1562 NE ARG A 100 0.188 -6.199 -8.756 1.00 30.32 N ATOM 1563 CZ ARG A 100 1.284 -6.039 -9.503 1.00 52.32 C ATOM 1564 NH1 ARG A 100 1.581 -4.855 -10.018 1.00 30.53 N ATOM 1565 NH2 ARG A 100 2.116 -7.047 -9.701 1.00 13.31 N ATOM 0 H ARG A 100 -1.359 -3.067 -3.157 1.00 50.20 H new ATOM 0 HA ARG A 100 0.819 -4.535 -4.524 1.00 1.01 H new ATOM 0 HB2 ARG A 100 -1.598 -4.392 -5.760 1.00 21.23 H new ATOM 0 HB3 ARG A 100 -0.927 -2.845 -6.236 1.00 21.23 H new ATOM 0 HG2 ARG A 100 0.961 -3.839 -7.295 1.00 24.24 H new ATOM 0 HG3 ARG A 100 0.769 -5.353 -6.432 1.00 24.24 H new ATOM 0 HD2 ARG A 100 -1.533 -5.501 -7.753 1.00 5.14 H new ATOM 0 HD3 ARG A 100 -0.788 -4.329 -8.822 1.00 5.14 H new ATOM 0 HE ARG A 100 -0.152 -7.152 -8.627 1.00 30.32 H new ATOM 0 HH11 ARG A 100 0.971 -4.056 -9.845 1.00 30.53 H new ATOM 0 HH12 ARG A 100 2.420 -4.742 -10.587 1.00 30.53 H new ATOM 0 HH21 ARG A 100 1.924 -7.957 -9.282 1.00 13.31 H new ATOM 0 HH22 ARG A 100 2.950 -6.915 -10.273 1.00 13.31 H new ATOM 1579 N VAL A 101 2.149 -2.468 -4.340 1.00 51.41 N ATOM 1580 CA VAL A 101 2.991 -1.284 -4.139 1.00 3.34 C ATOM 1581 C VAL A 101 4.057 -1.278 -5.216 1.00 45.00 C ATOM 1582 O VAL A 101 4.962 -2.108 -5.168 1.00 30.53 O ATOM 1583 CB VAL A 101 3.642 -1.233 -2.735 1.00 70.13 C ATOM 1584 CG1 VAL A 101 4.183 0.175 -2.445 1.00 3.23 C ATOM 1585 CG2 VAL A 101 2.663 -1.618 -1.634 1.00 70.11 C ATOM 0 H VAL A 101 2.682 -3.325 -4.489 1.00 51.41 H new ATOM 0 HA VAL A 101 2.359 -0.399 -4.207 1.00 3.34 H new ATOM 0 HB VAL A 101 4.457 -1.956 -2.741 1.00 70.13 H new ATOM 0 HG11 VAL A 101 4.637 0.193 -1.454 1.00 3.23 H new ATOM 0 HG12 VAL A 101 4.932 0.438 -3.192 1.00 3.23 H new ATOM 0 HG13 VAL A 101 3.365 0.894 -2.482 1.00 3.23 H new ATOM 0 HG21 VAL A 101 3.164 -1.568 -0.667 1.00 70.11 H new ATOM 0 HG22 VAL A 101 1.818 -0.929 -1.641 1.00 70.11 H new ATOM 0 HG23 VAL A 101 2.305 -2.633 -1.804 1.00 70.11 H new ATOM 1595 N VAL A 102 3.964 -0.368 -6.182 1.00 22.51 N ATOM 1596 CA VAL A 102 5.043 -0.199 -7.161 1.00 25.21 C ATOM 1597 C VAL A 102 6.112 0.678 -6.546 1.00 74.54 C ATOM 1598 O VAL A 102 5.791 1.731 -5.990 1.00 43.34 O ATOM 1599 CB VAL A 102 4.560 0.376 -8.501 1.00 73.13 C ATOM 1600 CG1 VAL A 102 5.700 0.500 -9.526 1.00 41.22 C ATOM 1601 CG2 VAL A 102 3.523 -0.571 -9.094 1.00 14.14 C ATOM 0 H VAL A 102 3.168 0.256 -6.311 1.00 22.51 H new ATOM 0 HA VAL A 102 5.446 -1.184 -7.398 1.00 25.21 H new ATOM 0 HB VAL A 102 4.153 1.368 -8.303 1.00 73.13 H new ATOM 0 HG11 VAL A 102 5.309 0.911 -10.457 1.00 41.22 H new ATOM 0 HG12 VAL A 102 6.472 1.162 -9.133 1.00 41.22 H new ATOM 0 HG13 VAL A 102 6.128 -0.485 -9.715 1.00 41.22 H new ATOM 0 HG21 VAL A 102 3.171 -0.175 -10.047 1.00 14.14 H new ATOM 0 HG22 VAL A 102 3.974 -1.551 -9.253 1.00 14.14 H new ATOM 0 HG23 VAL A 102 2.682 -0.666 -8.407 1.00 14.14 H new ATOM 1611 N PHE A 103 7.367 0.261 -6.685 1.00 31.52 N ATOM 1612 CA PHE A 103 8.528 1.012 -6.246 1.00 74.14 C ATOM 1613 C PHE A 103 9.442 1.222 -7.452 1.00 44.44 C ATOM 1614 O PHE A 103 10.014 0.265 -7.972 1.00 1.45 O ATOM 1615 CB PHE A 103 9.252 0.263 -5.120 1.00 44.40 C ATOM 1616 CG PHE A 103 8.504 0.107 -3.814 1.00 2.35 C ATOM 1617 CD1 PHE A 103 8.513 1.161 -2.883 1.00 50.03 C ATOM 1618 CD2 PHE A 103 7.891 -1.113 -3.479 1.00 74.51 C ATOM 1619 CE1 PHE A 103 7.946 0.985 -1.610 1.00 30.15 C ATOM 1620 CE2 PHE A 103 7.333 -1.291 -2.200 1.00 10.23 C ATOM 1621 CZ PHE A 103 7.369 -0.247 -1.260 1.00 62.41 C ATOM 0 H PHE A 103 7.606 -0.631 -7.117 1.00 31.52 H new ATOM 0 HA PHE A 103 8.227 1.981 -5.847 1.00 74.14 H new ATOM 0 HB2 PHE A 103 9.510 -0.731 -5.485 1.00 44.40 H new ATOM 0 HB3 PHE A 103 10.189 0.781 -4.915 1.00 44.40 H new ATOM 0 HD1 PHE A 103 8.957 2.109 -3.148 1.00 50.03 H new ATOM 0 HD2 PHE A 103 7.849 -1.913 -4.203 1.00 74.51 H new ATOM 0 HE1 PHE A 103 7.954 1.798 -0.899 1.00 30.15 H new ATOM 0 HE2 PHE A 103 6.875 -2.234 -1.939 1.00 10.23 H new ATOM 0 HZ PHE A 103 6.955 -0.391 -0.273 1.00 62.41 H new ATOM 1631 N GLU A 104 9.612 2.475 -7.877 1.00 63.40 N ATOM 1632 CA GLU A 104 10.631 2.850 -8.855 1.00 44.33 C ATOM 1633 C GLU A 104 11.831 3.430 -8.099 1.00 30.22 C ATOM 1634 O GLU A 104 11.645 4.052 -7.046 1.00 61.20 O ATOM 1635 CB GLU A 104 10.080 3.920 -9.808 1.00 72.24 C ATOM 1636 CG GLU A 104 9.124 3.393 -10.885 1.00 70.12 C ATOM 1637 CD GLU A 104 8.436 4.508 -11.684 1.00 23.13 C ATOM 1638 OE1 GLU A 104 9.108 5.479 -12.105 1.00 5.43 O ATOM 1639 OE2 GLU A 104 7.208 4.388 -11.932 1.00 70.52 O ATOM 0 H GLU A 104 9.046 3.258 -7.552 1.00 63.40 H new ATOM 0 HA GLU A 104 10.923 1.974 -9.434 1.00 44.33 H new ATOM 0 HB2 GLU A 104 9.561 4.677 -9.220 1.00 72.24 H new ATOM 0 HB3 GLU A 104 10.918 4.416 -10.298 1.00 72.24 H new ATOM 0 HG2 GLU A 104 9.678 2.753 -11.571 1.00 70.12 H new ATOM 0 HG3 GLU A 104 8.363 2.771 -10.413 1.00 70.12 H new ATOM 1646 N LEU A 105 13.039 3.278 -8.652 1.00 45.41 N ATOM 1647 CA LEU A 105 14.292 3.846 -8.159 1.00 52.34 C ATOM 1648 C LEU A 105 14.949 4.613 -9.305 1.00 45.20 C ATOM 1649 O LEU A 105 15.263 4.017 -10.335 1.00 22.23 O ATOM 1650 CB LEU A 105 15.228 2.726 -7.689 1.00 50.11 C ATOM 1651 CG LEU A 105 16.622 3.200 -7.229 1.00 10.15 C ATOM 1652 CD1 LEU A 105 16.685 3.567 -5.749 1.00 3.31 C ATOM 1653 CD2 LEU A 105 17.647 2.107 -7.519 1.00 31.55 C ATOM 0 H LEU A 105 13.173 2.726 -9.499 1.00 45.41 H new ATOM 0 HA LEU A 105 14.095 4.510 -7.318 1.00 52.34 H new ATOM 0 HB2 LEU A 105 14.751 2.194 -6.866 1.00 50.11 H new ATOM 0 HB3 LEU A 105 15.353 2.010 -8.502 1.00 50.11 H new ATOM 0 HG LEU A 105 16.844 4.109 -7.788 1.00 10.15 H new ATOM 0 HD11 LEU A 105 17.695 3.891 -5.497 1.00 3.31 H new ATOM 0 HD12 LEU A 105 15.983 4.375 -5.544 1.00 3.31 H new ATOM 0 HD13 LEU A 105 16.422 2.697 -5.147 1.00 3.31 H new ATOM 0 HD21 LEU A 105 18.634 2.438 -7.195 1.00 31.55 H new ATOM 0 HD22 LEU A 105 17.374 1.200 -6.980 1.00 31.55 H new ATOM 0 HD23 LEU A 105 17.666 1.901 -8.589 1.00 31.55 H new ATOM 1665 N THR A 106 15.226 5.907 -9.144 1.00 22.50 N ATOM 1666 CA THR A 106 15.839 6.689 -10.219 1.00 32.20 C ATOM 1667 C THR A 106 16.729 7.701 -9.549 1.00 2.43 C ATOM 1668 O THR A 106 16.366 8.159 -8.469 1.00 22.11 O ATOM 1669 CB THR A 106 14.720 7.365 -11.002 1.00 52.13 C ATOM 1670 OG1 THR A 106 15.085 7.583 -12.356 1.00 50.25 O ATOM 1671 CG2 THR A 106 14.259 8.733 -10.495 1.00 30.14 C ATOM 0 H THR A 106 15.038 6.432 -8.290 1.00 22.50 H new ATOM 0 HA THR A 106 16.424 6.084 -10.912 1.00 32.20 H new ATOM 0 HB THR A 106 13.906 6.652 -10.874 1.00 52.13 H new ATOM 0 HG1 THR A 106 14.344 8.016 -12.829 1.00 50.25 H new ATOM 0 HG21 THR A 106 13.461 9.108 -11.135 1.00 30.14 H new ATOM 0 HG22 THR A 106 13.890 8.637 -9.474 1.00 30.14 H new ATOM 0 HG23 THR A 106 15.097 9.430 -10.514 1.00 30.14 H new ATOM 1679 N ASP A 107 17.836 8.101 -10.171 1.00 2.22 N ATOM 1680 CA ASP A 107 18.778 9.063 -9.600 1.00 24.42 C ATOM 1681 C ASP A 107 19.245 8.626 -8.198 1.00 72.23 C ATOM 1682 O ASP A 107 19.703 9.450 -7.408 1.00 21.31 O ATOM 1683 CB ASP A 107 18.151 10.470 -9.592 1.00 73.21 C ATOM 1684 CG ASP A 107 18.112 11.223 -10.909 1.00 50.05 C ATOM 1685 OD1 ASP A 107 18.230 10.600 -11.997 1.00 64.24 O ATOM 1686 OD2 ASP A 107 17.734 12.413 -10.851 1.00 25.14 O ATOM 0 H ASP A 107 18.108 7.764 -11.094 1.00 2.22 H new ATOM 0 HA ASP A 107 19.670 9.096 -10.225 1.00 24.42 H new ATOM 0 HB2 ASP A 107 17.129 10.382 -9.224 1.00 73.21 H new ATOM 0 HB3 ASP A 107 18.698 11.079 -8.872 1.00 73.21 H new ATOM 1691 N GLY A 108 19.089 7.341 -7.863 1.00 65.15 N ATOM 1692 CA GLY A 108 19.347 6.792 -6.552 1.00 52.02 C ATOM 1693 C GLY A 108 18.197 6.908 -5.559 1.00 33.13 C ATOM 1694 O GLY A 108 18.448 6.668 -4.377 1.00 5.44 O ATOM 0 H GLY A 108 18.768 6.640 -8.530 1.00 65.15 H new ATOM 0 HA2 GLY A 108 19.605 5.739 -6.662 1.00 52.02 H new ATOM 0 HA3 GLY A 108 20.220 7.292 -6.132 1.00 52.02 H new ATOM 1698 N LYS A 109 16.960 7.260 -5.952 1.00 53.13 N ATOM 1699 CA LYS A 109 15.916 7.561 -4.979 1.00 4.40 C ATOM 1700 C LYS A 109 14.722 6.697 -5.284 1.00 25.10 C ATOM 1701 O LYS A 109 14.310 6.611 -6.437 1.00 71.32 O ATOM 1702 CB LYS A 109 15.506 9.030 -5.083 1.00 63.42 C ATOM 1703 CG LYS A 109 16.700 10.001 -5.090 1.00 12.10 C ATOM 1704 CD LYS A 109 16.849 10.798 -6.385 1.00 52.12 C ATOM 1705 CE LYS A 109 15.862 11.958 -6.513 1.00 24.41 C ATOM 1706 NZ LYS A 109 16.180 13.000 -5.522 1.00 62.14 N ATOM 0 H LYS A 109 16.669 7.340 -6.926 1.00 53.13 H new ATOM 0 HA LYS A 109 16.287 7.367 -3.973 1.00 4.40 H new ATOM 0 HB2 LYS A 109 14.926 9.173 -5.994 1.00 63.42 H new ATOM 0 HB3 LYS A 109 14.852 9.277 -4.247 1.00 63.42 H new ATOM 0 HG2 LYS A 109 16.593 10.697 -4.258 1.00 12.10 H new ATOM 0 HG3 LYS A 109 17.615 9.435 -4.917 1.00 12.10 H new ATOM 0 HD2 LYS A 109 17.865 11.189 -6.445 1.00 52.12 H new ATOM 0 HD3 LYS A 109 16.716 10.125 -7.232 1.00 52.12 H new ATOM 0 HE2 LYS A 109 15.907 12.375 -7.519 1.00 24.41 H new ATOM 0 HE3 LYS A 109 14.844 11.599 -6.362 1.00 24.41 H new ATOM 0 HZ1 LYS A 109 15.711 13.889 -5.790 1.00 62.14 H new ATOM 0 HZ2 LYS A 109 15.845 12.701 -4.584 1.00 62.14 H new ATOM 0 HZ3 LYS A 109 17.209 13.147 -5.491 1.00 62.14 H new ATOM 1720 N TRP A 110 14.161 6.105 -4.242 1.00 12.02 N ATOM 1721 CA TRP A 110 12.938 5.324 -4.319 1.00 5.00 C ATOM 1722 C TRP A 110 11.739 6.262 -4.267 1.00 62.42 C ATOM 1723 O TRP A 110 11.787 7.289 -3.581 1.00 11.40 O ATOM 1724 CB TRP A 110 12.901 4.305 -3.172 1.00 30.22 C ATOM 1725 CG TRP A 110 13.803 3.117 -3.348 1.00 30.32 C ATOM 1726 CD1 TRP A 110 15.007 2.912 -2.763 1.00 23.14 C ATOM 1727 CD2 TRP A 110 13.606 1.976 -4.235 1.00 61.51 C ATOM 1728 NE1 TRP A 110 15.534 1.705 -3.185 1.00 72.42 N ATOM 1729 CE2 TRP A 110 14.739 1.120 -4.144 1.00 71.21 C ATOM 1730 CE3 TRP A 110 12.618 1.620 -5.172 1.00 32.52 C ATOM 1731 CZ2 TRP A 110 14.893 -0.004 -4.967 1.00 51.03 C ATOM 1732 CZ3 TRP A 110 12.760 0.483 -5.991 1.00 13.05 C ATOM 1733 CH2 TRP A 110 13.895 -0.332 -5.896 1.00 74.31 C ATOM 0 H TRP A 110 14.551 6.155 -3.301 1.00 12.02 H new ATOM 0 HA TRP A 110 12.904 4.773 -5.259 1.00 5.00 H new ATOM 0 HB2 TRP A 110 13.171 4.813 -2.246 1.00 30.22 H new ATOM 0 HB3 TRP A 110 11.877 3.950 -3.054 1.00 30.22 H new ATOM 0 HD1 TRP A 110 15.484 3.590 -2.071 1.00 23.14 H new ATOM 0 HE1 TRP A 110 16.401 1.300 -2.831 1.00 72.42 H new ATOM 0 HE3 TRP A 110 11.733 2.231 -5.265 1.00 32.52 H new ATOM 0 HZ2 TRP A 110 15.779 -0.617 -4.886 1.00 51.03 H new ATOM 0 HZ3 TRP A 110 11.984 0.237 -6.701 1.00 13.05 H new ATOM 0 HH2 TRP A 110 14.000 -1.201 -6.529 1.00 74.31 H new ATOM 1744 N TYR A 111 10.660 5.908 -4.961 1.00 44.45 N ATOM 1745 CA TYR A 111 9.376 6.594 -4.930 1.00 72.34 C ATOM 1746 C TYR A 111 8.287 5.552 -5.216 1.00 71.14 C ATOM 1747 O TYR A 111 8.462 4.715 -6.105 1.00 10.44 O ATOM 1748 CB TYR A 111 9.375 7.804 -5.898 1.00 22.42 C ATOM 1749 CG TYR A 111 9.928 7.585 -7.298 1.00 25.11 C ATOM 1750 CD1 TYR A 111 11.302 7.405 -7.535 1.00 74.14 C ATOM 1751 CD2 TYR A 111 9.058 7.592 -8.392 1.00 64.52 C ATOM 1752 CE1 TYR A 111 11.763 7.129 -8.832 1.00 25.50 C ATOM 1753 CE2 TYR A 111 9.512 7.397 -9.700 1.00 4.44 C ATOM 1754 CZ TYR A 111 10.872 7.122 -9.927 1.00 3.32 C ATOM 1755 OH TYR A 111 11.290 6.781 -11.173 1.00 73.43 O ATOM 0 H TYR A 111 10.659 5.101 -5.585 1.00 44.45 H new ATOM 0 HA TYR A 111 9.175 7.029 -3.951 1.00 72.34 H new ATOM 0 HB2 TYR A 111 8.348 8.157 -5.994 1.00 22.42 H new ATOM 0 HB3 TYR A 111 9.946 8.607 -5.433 1.00 22.42 H new ATOM 0 HD1 TYR A 111 12.004 7.479 -6.718 1.00 74.14 H new ATOM 0 HD2 TYR A 111 8.004 7.753 -8.222 1.00 64.52 H new ATOM 0 HE1 TYR A 111 12.810 6.920 -8.994 1.00 25.50 H new ATOM 0 HE2 TYR A 111 8.823 7.457 -10.530 1.00 4.44 H new ATOM 0 HH TYR A 111 10.584 6.276 -11.628 1.00 73.43 H new ATOM 1765 N VAL A 112 7.196 5.539 -4.436 1.00 53.14 N ATOM 1766 CA VAL A 112 6.064 4.655 -4.722 1.00 2.20 C ATOM 1767 C VAL A 112 5.297 5.264 -5.888 1.00 24.30 C ATOM 1768 O VAL A 112 4.950 6.444 -5.788 1.00 11.23 O ATOM 1769 CB VAL A 112 5.163 4.487 -3.481 1.00 50.44 C ATOM 1770 CG1 VAL A 112 3.835 3.770 -3.770 1.00 33.12 C ATOM 1771 CG2 VAL A 112 5.908 3.679 -2.417 1.00 71.14 C ATOM 0 H VAL A 112 7.077 6.126 -3.610 1.00 53.14 H new ATOM 0 HA VAL A 112 6.415 3.657 -4.983 1.00 2.20 H new ATOM 0 HB VAL A 112 4.927 5.496 -3.143 1.00 50.44 H new ATOM 0 HG11 VAL A 112 3.257 3.690 -2.849 1.00 33.12 H new ATOM 0 HG12 VAL A 112 3.267 4.339 -4.507 1.00 33.12 H new ATOM 0 HG13 VAL A 112 4.037 2.772 -4.159 1.00 33.12 H new ATOM 0 HG21 VAL A 112 5.272 3.560 -1.540 1.00 71.14 H new ATOM 0 HG22 VAL A 112 6.162 2.698 -2.817 1.00 71.14 H new ATOM 0 HG23 VAL A 112 6.821 4.203 -2.135 1.00 71.14 H new ATOM 1781 N THR A 113 5.013 4.504 -6.951 1.00 65.42 N ATOM 1782 CA THR A 113 4.328 5.051 -8.127 1.00 24.10 C ATOM 1783 C THR A 113 2.883 4.581 -8.267 1.00 24.34 C ATOM 1784 O THR A 113 2.111 5.184 -9.017 1.00 10.44 O ATOM 1785 CB THR A 113 5.188 4.944 -9.400 1.00 2.31 C ATOM 1786 OG1 THR A 113 5.354 3.641 -9.897 1.00 44.05 O ATOM 1787 CG2 THR A 113 6.581 5.504 -9.121 1.00 5.21 C ATOM 0 H THR A 113 5.245 3.513 -7.021 1.00 65.42 H new ATOM 0 HA THR A 113 4.216 6.122 -7.961 1.00 24.10 H new ATOM 0 HB THR A 113 4.644 5.511 -10.156 1.00 2.31 H new ATOM 0 HG1 THR A 113 5.985 3.655 -10.647 1.00 44.05 H new ATOM 0 HG21 THR A 113 7.191 5.429 -10.022 1.00 5.21 H new ATOM 0 HG22 THR A 113 6.500 6.550 -8.824 1.00 5.21 H new ATOM 0 HG23 THR A 113 7.048 4.934 -8.318 1.00 5.21 H new ATOM 1795 N ASP A 114 2.472 3.593 -7.473 1.00 41.01 N ATOM 1796 CA ASP A 114 1.103 3.108 -7.400 1.00 14.33 C ATOM 1797 C ASP A 114 0.897 2.442 -6.042 1.00 51.35 C ATOM 1798 O ASP A 114 1.836 1.855 -5.498 1.00 21.50 O ATOM 1799 CB ASP A 114 0.897 2.072 -8.492 1.00 50.21 C ATOM 1800 CG ASP A 114 -0.470 1.427 -8.372 1.00 62.54 C ATOM 1801 OD1 ASP A 114 -1.425 2.193 -8.135 1.00 14.42 O ATOM 1802 OD2 ASP A 114 -0.590 0.191 -8.507 1.00 43.21 O ATOM 0 H ASP A 114 3.105 3.096 -6.846 1.00 41.01 H new ATOM 0 HA ASP A 114 0.399 3.931 -7.527 1.00 14.33 H new ATOM 0 HB2 ASP A 114 0.997 2.543 -9.470 1.00 50.21 H new ATOM 0 HB3 ASP A 114 1.672 1.308 -8.425 1.00 50.21 H new ATOM 1807 N CYS A 115 -0.317 2.559 -5.509 1.00 43.34 N ATOM 1808 CA CYS A 115 -0.752 1.962 -4.260 1.00 2.31 C ATOM 1809 C CYS A 115 -2.137 1.380 -4.470 1.00 14.44 C ATOM 1810 O CYS A 115 -3.052 2.092 -4.896 1.00 31.13 O ATOM 1811 CB CYS A 115 -0.813 3.037 -3.171 1.00 70.43 C ATOM 1812 SG CYS A 115 -1.628 2.457 -1.668 1.00 65.23 S ATOM 0 H CYS A 115 -1.055 3.099 -5.962 1.00 43.34 H new ATOM 0 HA CYS A 115 -0.055 1.183 -3.952 1.00 2.31 H new ATOM 0 HB2 CYS A 115 0.199 3.362 -2.929 1.00 70.43 H new ATOM 0 HB3 CYS A 115 -1.344 3.908 -3.555 1.00 70.43 H new ATOM 0 HG CYS A 115 -1.645 3.413 -0.787 1.00 65.23 H new ATOM 1818 N TYR A 116 -2.304 0.132 -4.060 1.00 12.22 N ATOM 1819 CA TYR A 116 -3.566 -0.564 -3.923 1.00 43.15 C ATOM 1820 C TYR A 116 -3.540 -1.116 -2.503 1.00 12.21 C ATOM 1821 O TYR A 116 -2.601 -1.841 -2.156 1.00 42.43 O ATOM 1822 CB TYR A 116 -3.619 -1.649 -5.001 1.00 1.33 C ATOM 1823 CG TYR A 116 -4.981 -2.229 -5.306 1.00 64.32 C ATOM 1824 CD1 TYR A 116 -6.101 -1.402 -5.530 1.00 42.33 C ATOM 1825 CD2 TYR A 116 -5.103 -3.622 -5.439 1.00 1.13 C ATOM 1826 CE1 TYR A 116 -7.345 -1.965 -5.861 1.00 24.51 C ATOM 1827 CE2 TYR A 116 -6.338 -4.197 -5.773 1.00 50.23 C ATOM 1828 CZ TYR A 116 -7.465 -3.368 -5.962 1.00 25.21 C ATOM 1829 OH TYR A 116 -8.689 -3.930 -6.111 1.00 63.24 O ATOM 0 H TYR A 116 -1.511 -0.454 -3.799 1.00 12.22 H new ATOM 0 HA TYR A 116 -4.455 0.051 -4.061 1.00 43.15 H new ATOM 0 HB2 TYR A 116 -3.210 -1.235 -5.923 1.00 1.33 H new ATOM 0 HB3 TYR A 116 -2.961 -2.464 -4.698 1.00 1.33 H new ATOM 0 HD1 TYR A 116 -6.002 -0.330 -5.447 1.00 42.33 H new ATOM 0 HD2 TYR A 116 -4.241 -4.254 -5.283 1.00 1.13 H new ATOM 0 HE1 TYR A 116 -8.201 -1.331 -6.036 1.00 24.51 H new ATOM 0 HE2 TYR A 116 -6.426 -5.268 -5.885 1.00 50.23 H new ATOM 0 HH TYR A 116 -8.597 -4.904 -6.166 1.00 63.24 H new ATOM 1839 N ASN A 117 -4.439 -0.635 -1.642 1.00 33.11 N ATOM 1840 CA ASN A 117 -4.481 -0.978 -0.220 1.00 70.54 C ATOM 1841 C ASN A 117 -5.873 -1.508 0.076 1.00 61.21 C ATOM 1842 O ASN A 117 -6.864 -0.972 -0.435 1.00 5.41 O ATOM 1843 CB ASN A 117 -4.109 0.222 0.673 1.00 14.30 C ATOM 1844 CG ASN A 117 -3.635 -0.183 2.071 1.00 54.54 C ATOM 1845 OD1 ASN A 117 -3.131 -1.275 2.291 1.00 32.31 O ATOM 1846 ND2 ASN A 117 -3.660 0.705 3.040 1.00 53.22 N ATOM 0 H ASN A 117 -5.173 0.017 -1.920 1.00 33.11 H new ATOM 0 HA ASN A 117 -3.737 -1.742 0.007 1.00 70.54 H new ATOM 0 HB2 ASN A 117 -3.324 0.799 0.184 1.00 14.30 H new ATOM 0 HB3 ASN A 117 -4.975 0.877 0.767 1.00 14.30 H new ATOM 0 HD21 ASN A 117 -3.264 0.476 3.952 1.00 53.22 H new ATOM 0 HD22 ASN A 117 -4.075 1.623 2.880 1.00 53.22 H new ATOM 1853 N ASP A 118 -5.946 -2.576 0.859 1.00 31.32 N ATOM 1854 CA ASP A 118 -7.133 -3.420 1.002 1.00 71.20 C ATOM 1855 C ASP A 118 -8.299 -2.671 1.667 1.00 64.13 C ATOM 1856 O ASP A 118 -9.455 -3.062 1.513 1.00 72.33 O ATOM 1857 CB ASP A 118 -6.746 -4.690 1.778 1.00 62.13 C ATOM 1858 CG ASP A 118 -7.590 -5.934 1.463 1.00 10.33 C ATOM 1859 OD1 ASP A 118 -8.258 -6.018 0.402 1.00 4.23 O ATOM 1860 OD2 ASP A 118 -7.405 -6.903 2.239 1.00 61.40 O ATOM 0 H ASP A 118 -5.161 -2.891 1.430 1.00 31.32 H new ATOM 0 HA ASP A 118 -7.492 -3.701 0.012 1.00 71.20 H new ATOM 0 HB2 ASP A 118 -5.701 -4.918 1.571 1.00 62.13 H new ATOM 0 HB3 ASP A 118 -6.821 -4.481 2.845 1.00 62.13 H new ATOM 1865 N TRP A 119 -8.034 -1.537 2.331 1.00 41.53 N ATOM 1866 CA TRP A 119 -9.030 -0.565 2.791 1.00 23.12 C ATOM 1867 C TRP A 119 -10.009 -0.157 1.680 1.00 24.04 C ATOM 1868 O TRP A 119 -11.135 0.228 1.975 1.00 53.32 O ATOM 1869 CB TRP A 119 -8.330 0.701 3.322 1.00 54.23 C ATOM 1870 CG TRP A 119 -7.725 0.658 4.696 1.00 64.11 C ATOM 1871 CD1 TRP A 119 -6.445 0.965 4.998 1.00 24.40 C ATOM 1872 CD2 TRP A 119 -8.387 0.477 5.985 1.00 21.31 C ATOM 1873 NE1 TRP A 119 -6.258 0.949 6.366 1.00 4.33 N ATOM 1874 CE2 TRP A 119 -7.435 0.690 7.027 1.00 65.44 C ATOM 1875 CE3 TRP A 119 -9.718 0.246 6.384 1.00 43.41 C ATOM 1876 CZ2 TRP A 119 -7.780 0.664 8.386 1.00 71.24 C ATOM 1877 CZ3 TRP A 119 -10.083 0.241 7.743 1.00 22.20 C ATOM 1878 CH2 TRP A 119 -9.118 0.441 8.745 1.00 42.15 C ATOM 0 H TRP A 119 -7.081 -1.263 2.571 1.00 41.53 H new ATOM 0 HA TRP A 119 -9.598 -1.051 3.584 1.00 23.12 H new ATOM 0 HB2 TRP A 119 -7.539 0.963 2.619 1.00 54.23 H new ATOM 0 HB3 TRP A 119 -9.055 1.514 3.304 1.00 54.23 H new ATOM 0 HD1 TRP A 119 -5.677 1.191 4.273 1.00 24.40 H new ATOM 0 HE1 TRP A 119 -5.362 1.109 6.827 1.00 4.33 H new ATOM 0 HE3 TRP A 119 -10.473 0.069 5.632 1.00 43.41 H new ATOM 0 HZ2 TRP A 119 -7.027 0.813 9.145 1.00 71.24 H new ATOM 0 HZ3 TRP A 119 -11.115 0.082 8.019 1.00 22.20 H new ATOM 0 HH2 TRP A 119 -9.405 0.423 9.786 1.00 42.15 H new ATOM 1889 N TYR A 120 -9.615 -0.220 0.404 1.00 32.34 N ATOM 1890 CA TYR A 120 -10.485 0.144 -0.707 1.00 13.12 C ATOM 1891 C TYR A 120 -10.448 -0.998 -1.719 1.00 64.41 C ATOM 1892 O TYR A 120 -9.806 -0.910 -2.773 1.00 71.33 O ATOM 1893 CB TYR A 120 -10.140 1.540 -1.262 1.00 44.22 C ATOM 1894 CG TYR A 120 -9.640 2.543 -0.234 1.00 4.30 C ATOM 1895 CD1 TYR A 120 -10.530 3.268 0.589 1.00 44.31 C ATOM 1896 CD2 TYR A 120 -8.252 2.697 -0.070 1.00 13.20 C ATOM 1897 CE1 TYR A 120 -10.025 4.142 1.578 1.00 12.51 C ATOM 1898 CE2 TYR A 120 -7.752 3.540 0.931 1.00 42.23 C ATOM 1899 CZ TYR A 120 -8.634 4.256 1.764 1.00 21.22 C ATOM 1900 OH TYR A 120 -8.146 5.082 2.726 1.00 22.40 O ATOM 0 H TYR A 120 -8.685 -0.525 0.118 1.00 32.34 H new ATOM 0 HA TYR A 120 -11.521 0.257 -0.387 1.00 13.12 H new ATOM 0 HB2 TYR A 120 -9.380 1.428 -2.035 1.00 44.22 H new ATOM 0 HB3 TYR A 120 -11.027 1.951 -1.744 1.00 44.22 H new ATOM 0 HD1 TYR A 120 -11.597 3.154 0.462 1.00 44.31 H new ATOM 0 HD2 TYR A 120 -7.570 2.165 -0.717 1.00 13.20 H new ATOM 0 HE1 TYR A 120 -10.703 4.720 2.188 1.00 12.51 H new ATOM 0 HE2 TYR A 120 -6.685 3.641 1.065 1.00 42.23 H new ATOM 0 HH TYR A 120 -7.234 5.355 2.491 1.00 22.40 H new ATOM 1910 N ASN A 121 -11.131 -2.091 -1.376 1.00 73.45 N ATOM 1911 CA ASN A 121 -11.253 -3.323 -2.159 1.00 31.11 C ATOM 1912 C ASN A 121 -12.719 -3.556 -2.545 1.00 25.34 C ATOM 1913 O ASN A 121 -13.573 -2.732 -2.228 1.00 3.21 O ATOM 1914 CB ASN A 121 -10.675 -4.514 -1.379 1.00 62.33 C ATOM 1915 CG ASN A 121 -11.647 -5.105 -0.378 1.00 13.03 C ATOM 1916 OD1 ASN A 121 -12.304 -6.093 -0.683 1.00 34.52 O ATOM 1917 ND2 ASN A 121 -11.752 -4.531 0.801 1.00 62.22 N ATOM 0 H ASN A 121 -11.643 -2.144 -0.495 1.00 73.45 H new ATOM 0 HA ASN A 121 -10.676 -3.223 -3.078 1.00 31.11 H new ATOM 0 HB2 ASN A 121 -10.374 -5.289 -2.084 1.00 62.33 H new ATOM 0 HB3 ASN A 121 -9.775 -4.193 -0.855 1.00 62.33 H new ATOM 0 HD21 ASN A 121 -12.397 -4.908 1.496 1.00 62.22 H new ATOM 0 HD22 ASN A 121 -11.189 -3.709 1.020 1.00 62.22 H new ATOM 1924 N PHE A 122 -13.009 -4.652 -3.249 1.00 10.35 N ATOM 1925 CA PHE A 122 -14.324 -4.936 -3.821 1.00 44.11 C ATOM 1926 C PHE A 122 -15.433 -5.025 -2.766 1.00 21.12 C ATOM 1927 O PHE A 122 -16.564 -4.617 -3.030 1.00 64.53 O ATOM 1928 CB PHE A 122 -14.253 -6.246 -4.617 1.00 1.31 C ATOM 1929 CG PHE A 122 -14.850 -6.152 -6.006 1.00 11.24 C ATOM 1930 CD1 PHE A 122 -14.111 -5.531 -7.027 1.00 10.24 C ATOM 1931 CD2 PHE A 122 -16.100 -6.727 -6.301 1.00 64.43 C ATOM 1932 CE1 PHE A 122 -14.608 -5.493 -8.341 1.00 1.04 C ATOM 1933 CE2 PHE A 122 -16.587 -6.706 -7.620 1.00 73.30 C ATOM 1934 CZ PHE A 122 -15.841 -6.093 -8.639 1.00 72.22 C ATOM 0 H PHE A 122 -12.322 -5.381 -3.441 1.00 10.35 H new ATOM 0 HA PHE A 122 -14.583 -4.102 -4.473 1.00 44.11 H new ATOM 0 HB2 PHE A 122 -13.211 -6.553 -4.700 1.00 1.31 H new ATOM 0 HB3 PHE A 122 -14.772 -7.027 -4.061 1.00 1.31 H new ATOM 0 HD1 PHE A 122 -13.156 -5.080 -6.801 1.00 10.24 H new ATOM 0 HD2 PHE A 122 -16.684 -7.184 -5.516 1.00 64.43 H new ATOM 0 HE1 PHE A 122 -14.042 -5.003 -9.120 1.00 1.04 H new ATOM 0 HE2 PHE A 122 -17.538 -7.163 -7.850 1.00 73.30 H new ATOM 0 HZ PHE A 122 -16.216 -6.083 -9.652 1.00 72.22 H new ATOM 1944 N ASP A 123 -15.116 -5.532 -1.570 1.00 64.33 N ATOM 1945 CA ASP A 123 -16.041 -5.758 -0.447 1.00 64.23 C ATOM 1946 C ASP A 123 -16.599 -4.450 0.145 1.00 65.25 C ATOM 1947 O ASP A 123 -17.389 -4.477 1.088 1.00 42.03 O ATOM 1948 CB ASP A 123 -15.291 -6.546 0.644 1.00 64.42 C ATOM 1949 CG ASP A 123 -16.184 -7.470 1.477 1.00 5.25 C ATOM 1950 OD1 ASP A 123 -16.636 -8.494 0.902 1.00 23.53 O ATOM 1951 OD2 ASP A 123 -16.234 -7.337 2.717 1.00 5.41 O ATOM 0 H ASP A 123 -14.161 -5.811 -1.345 1.00 64.33 H new ATOM 0 HA ASP A 123 -16.898 -6.317 -0.822 1.00 64.23 H new ATOM 0 HB2 ASP A 123 -14.509 -7.142 0.173 1.00 64.42 H new ATOM 0 HB3 ASP A 123 -14.796 -5.840 1.311 1.00 64.42 H new ATOM 1956 N LEU A 124 -16.170 -3.296 -0.383 1.00 43.32 N ATOM 1957 CA LEU A 124 -16.348 -1.968 0.182 1.00 10.12 C ATOM 1958 C LEU A 124 -17.422 -1.206 -0.608 1.00 42.24 C ATOM 1959 O LEU A 124 -17.080 -0.527 -1.582 1.00 62.43 O ATOM 1960 CB LEU A 124 -14.986 -1.232 0.219 1.00 13.21 C ATOM 1961 CG LEU A 124 -14.835 -0.250 1.392 1.00 32.23 C ATOM 1962 CD1 LEU A 124 -16.040 0.680 1.586 1.00 62.34 C ATOM 1963 CD2 LEU A 124 -14.540 -1.047 2.664 1.00 14.54 C ATOM 0 H LEU A 124 -15.661 -3.272 -1.267 1.00 43.32 H new ATOM 0 HA LEU A 124 -16.702 -2.036 1.211 1.00 10.12 H new ATOM 0 HB2 LEU A 124 -14.187 -1.971 0.273 1.00 13.21 H new ATOM 0 HB3 LEU A 124 -14.854 -0.688 -0.716 1.00 13.21 H new ATOM 0 HG LEU A 124 -14.004 0.416 1.158 1.00 32.23 H new ATOM 0 HD11 LEU A 124 -15.856 1.342 2.432 1.00 62.34 H new ATOM 0 HD12 LEU A 124 -16.189 1.276 0.685 1.00 62.34 H new ATOM 0 HD13 LEU A 124 -16.932 0.084 1.778 1.00 62.34 H new ATOM 0 HD21 LEU A 124 -14.430 -0.362 3.505 1.00 14.54 H new ATOM 0 HD22 LEU A 124 -15.362 -1.735 2.861 1.00 14.54 H new ATOM 0 HD23 LEU A 124 -13.617 -1.612 2.533 1.00 14.54 H new ATOM 1975 N PRO A 125 -18.721 -1.339 -0.295 1.00 63.12 N ATOM 1976 CA PRO A 125 -19.745 -0.617 -1.028 1.00 64.15 C ATOM 1977 C PRO A 125 -19.590 0.887 -0.779 1.00 41.05 C ATOM 1978 O PRO A 125 -19.145 1.339 0.279 1.00 70.24 O ATOM 1979 CB PRO A 125 -21.069 -1.165 -0.505 1.00 74.45 C ATOM 1980 CG PRO A 125 -20.733 -1.456 0.956 1.00 14.14 C ATOM 1981 CD PRO A 125 -19.309 -1.999 0.860 1.00 25.32 C ATOM 0 HA PRO A 125 -19.679 -0.750 -2.108 1.00 64.15 H new ATOM 0 HB2 PRO A 125 -21.878 -0.441 -0.602 1.00 74.45 H new ATOM 0 HB3 PRO A 125 -21.379 -2.063 -1.040 1.00 74.45 H new ATOM 0 HG2 PRO A 125 -20.785 -0.558 1.572 1.00 14.14 H new ATOM 0 HG3 PRO A 125 -21.417 -2.183 1.394 1.00 14.14 H new ATOM 0 HD2 PRO A 125 -18.744 -1.782 1.766 1.00 25.32 H new ATOM 0 HD3 PRO A 125 -19.309 -3.082 0.736 1.00 25.32 H new ATOM 1989 N ILE A 126 -19.995 1.686 -1.764 1.00 30.24 N ATOM 1990 CA ILE A 126 -19.783 3.131 -1.756 1.00 61.11 C ATOM 1991 C ILE A 126 -20.534 3.781 -0.589 1.00 51.24 C ATOM 1992 O ILE A 126 -20.106 4.827 -0.100 1.00 2.10 O ATOM 1993 CB ILE A 126 -20.214 3.703 -3.122 1.00 65.25 C ATOM 1994 CG1 ILE A 126 -19.330 3.103 -4.243 1.00 33.31 C ATOM 1995 CG2 ILE A 126 -20.127 5.237 -3.198 1.00 71.51 C ATOM 1996 CD1 ILE A 126 -20.011 3.182 -5.602 1.00 44.03 C ATOM 0 H ILE A 126 -20.482 1.347 -2.594 1.00 30.24 H new ATOM 0 HA ILE A 126 -18.727 3.355 -1.606 1.00 61.11 H new ATOM 0 HB ILE A 126 -21.261 3.427 -3.252 1.00 65.25 H new ATOM 0 HG12 ILE A 126 -18.380 3.636 -4.281 1.00 33.31 H new ATOM 0 HG13 ILE A 126 -19.103 2.063 -4.010 1.00 33.31 H new ATOM 0 HG21 ILE A 126 -20.445 5.571 -4.186 1.00 71.51 H new ATOM 0 HG22 ILE A 126 -20.776 5.676 -2.440 1.00 71.51 H new ATOM 0 HG23 ILE A 126 -19.099 5.552 -3.022 1.00 71.51 H new ATOM 0 HD11 ILE A 126 -19.359 2.751 -6.361 1.00 44.03 H new ATOM 0 HD12 ILE A 126 -20.949 2.627 -5.572 1.00 44.03 H new ATOM 0 HD13 ILE A 126 -20.214 4.224 -5.847 1.00 44.03 H new ATOM 2008 N ASN A 127 -21.635 3.184 -0.125 1.00 53.44 N ATOM 2009 CA ASN A 127 -22.470 3.765 0.919 1.00 13.33 C ATOM 2010 C ASN A 127 -21.841 3.713 2.315 1.00 10.44 C ATOM 2011 O ASN A 127 -22.389 4.336 3.221 1.00 4.44 O ATOM 2012 CB ASN A 127 -23.838 3.079 0.959 1.00 30.54 C ATOM 2013 CG ASN A 127 -23.777 1.738 1.675 1.00 5.23 C ATOM 2014 OD1 ASN A 127 -23.194 0.801 1.153 1.00 74.53 O ATOM 2015 ND2 ASN A 127 -24.354 1.625 2.858 1.00 11.13 N ATOM 0 H ASN A 127 -21.969 2.283 -0.466 1.00 53.44 H new ATOM 0 HA ASN A 127 -22.577 4.817 0.655 1.00 13.33 H new ATOM 0 HB2 ASN A 127 -24.555 3.727 1.462 1.00 30.54 H new ATOM 0 HB3 ASN A 127 -24.201 2.932 -0.058 1.00 30.54 H new ATOM 0 HD21 ASN A 127 -24.319 0.738 3.360 1.00 11.13 H new ATOM 0 HD22 ASN A 127 -24.834 2.425 3.270 1.00 11.13 H new ATOM 2022 N GLU A 128 -20.736 2.988 2.489 1.00 31.44 N ATOM 2023 CA GLU A 128 -19.992 2.859 3.749 1.00 2.44 C ATOM 2024 C GLU A 128 -18.567 3.442 3.628 1.00 53.34 C ATOM 2025 O GLU A 128 -17.767 3.380 4.561 1.00 52.42 O ATOM 2026 CB GLU A 128 -19.967 1.375 4.175 1.00 43.14 C ATOM 2027 CG GLU A 128 -21.291 0.780 4.702 1.00 54.11 C ATOM 2028 CD GLU A 128 -21.750 1.320 6.068 1.00 30.02 C ATOM 2029 OE1 GLU A 128 -20.884 1.603 6.932 1.00 23.42 O ATOM 2030 OE2 GLU A 128 -22.984 1.423 6.307 1.00 54.12 O ATOM 0 H GLU A 128 -20.316 2.453 1.729 1.00 31.44 H new ATOM 0 HA GLU A 128 -20.498 3.439 4.521 1.00 2.44 H new ATOM 0 HB2 GLU A 128 -19.644 0.781 3.320 1.00 43.14 H new ATOM 0 HB3 GLU A 128 -19.209 1.256 4.949 1.00 43.14 H new ATOM 0 HG2 GLU A 128 -22.075 0.973 3.970 1.00 54.11 H new ATOM 0 HG3 GLU A 128 -21.182 -0.302 4.774 1.00 54.11 H new ATOM 2037 N LEU A 129 -18.232 4.018 2.469 1.00 74.43 N ATOM 2038 CA LEU A 129 -16.877 4.396 2.086 1.00 5.11 C ATOM 2039 C LEU A 129 -16.294 5.448 3.013 1.00 32.31 C ATOM 2040 O LEU A 129 -15.141 5.346 3.433 1.00 71.05 O ATOM 2041 CB LEU A 129 -16.905 4.841 0.623 1.00 42.13 C ATOM 2042 CG LEU A 129 -15.495 4.928 0.023 1.00 53.11 C ATOM 2043 CD1 LEU A 129 -15.584 4.812 -1.493 1.00 54.11 C ATOM 2044 CD2 LEU A 129 -14.809 6.252 0.281 1.00 1.04 C ATOM 0 H LEU A 129 -18.922 4.239 1.752 1.00 74.43 H new ATOM 0 HA LEU A 129 -16.210 3.539 2.185 1.00 5.11 H new ATOM 0 HB2 LEU A 129 -17.504 4.140 0.042 1.00 42.13 H new ATOM 0 HB3 LEU A 129 -17.392 5.814 0.549 1.00 42.13 H new ATOM 0 HG LEU A 129 -14.928 4.125 0.493 1.00 53.11 H new ATOM 0 HD11 LEU A 129 -14.584 4.874 -1.922 1.00 54.11 H new ATOM 0 HD12 LEU A 129 -16.035 3.856 -1.759 1.00 54.11 H new ATOM 0 HD13 LEU A 129 -16.197 5.624 -1.885 1.00 54.11 H new ATOM 0 HD21 LEU A 129 -13.817 6.242 -0.171 1.00 1.04 H new ATOM 0 HD22 LEU A 129 -15.399 7.058 -0.155 1.00 1.04 H new ATOM 0 HD23 LEU A 129 -14.716 6.410 1.355 1.00 1.04 H new ATOM 2056 N GLU A 130 -17.048 6.509 3.262 1.00 4.41 N ATOM 2057 CA GLU A 130 -16.562 7.666 4.007 1.00 31.31 C ATOM 2058 C GLU A 130 -16.097 7.270 5.405 1.00 13.41 C ATOM 2059 O GLU A 130 -15.076 7.789 5.858 1.00 62.01 O ATOM 2060 CB GLU A 130 -17.653 8.735 4.060 1.00 1.53 C ATOM 2061 CG GLU A 130 -17.887 9.280 2.647 1.00 21.30 C ATOM 2062 CD GLU A 130 -19.114 10.177 2.526 1.00 50.34 C ATOM 2063 OE1 GLU A 130 -20.229 9.773 2.929 1.00 12.32 O ATOM 2064 OE2 GLU A 130 -19.006 11.176 1.779 1.00 50.01 O ATOM 0 H GLU A 130 -18.016 6.594 2.953 1.00 4.41 H new ATOM 0 HA GLU A 130 -15.694 8.079 3.492 1.00 31.31 H new ATOM 0 HB2 GLU A 130 -18.575 8.312 4.458 1.00 1.53 H new ATOM 0 HB3 GLU A 130 -17.357 9.542 4.730 1.00 1.53 H new ATOM 0 HG2 GLU A 130 -17.007 9.841 2.334 1.00 21.30 H new ATOM 0 HG3 GLU A 130 -17.992 8.442 1.958 1.00 21.30 H new ATOM 2071 N GLU A 131 -16.782 6.311 6.029 1.00 22.33 N ATOM 2072 CA GLU A 131 -16.421 5.733 7.316 1.00 3.50 C ATOM 2073 C GLU A 131 -15.077 5.007 7.220 1.00 34.22 C ATOM 2074 O GLU A 131 -14.234 5.094 8.111 1.00 53.12 O ATOM 2075 CB GLU A 131 -17.521 4.737 7.722 1.00 42.33 C ATOM 2076 CG GLU A 131 -17.906 4.853 9.196 1.00 50.23 C ATOM 2077 CD GLU A 131 -18.959 5.940 9.471 1.00 2.33 C ATOM 2078 OE1 GLU A 131 -18.714 7.150 9.245 1.00 43.51 O ATOM 2079 OE2 GLU A 131 -20.045 5.606 9.994 1.00 64.44 O ATOM 0 H GLU A 131 -17.631 5.904 5.636 1.00 22.33 H new ATOM 0 HA GLU A 131 -16.329 6.524 8.061 1.00 3.50 H new ATOM 0 HB2 GLU A 131 -18.404 4.906 7.106 1.00 42.33 H new ATOM 0 HB3 GLU A 131 -17.180 3.722 7.519 1.00 42.33 H new ATOM 0 HG2 GLU A 131 -18.289 3.892 9.540 1.00 50.23 H new ATOM 0 HG3 GLU A 131 -17.012 5.068 9.781 1.00 50.23 H new ATOM 2086 N THR A 132 -14.852 4.309 6.110 1.00 54.31 N ATOM 2087 CA THR A 132 -13.627 3.572 5.881 1.00 44.54 C ATOM 2088 C THR A 132 -12.474 4.558 5.746 1.00 65.12 C ATOM 2089 O THR A 132 -11.441 4.365 6.380 1.00 45.43 O ATOM 2090 CB THR A 132 -13.798 2.662 4.663 1.00 30.32 C ATOM 2091 OG1 THR A 132 -14.916 1.828 4.876 1.00 22.14 O ATOM 2092 CG2 THR A 132 -12.570 1.798 4.416 1.00 64.14 C ATOM 0 H THR A 132 -15.522 4.243 5.344 1.00 54.31 H new ATOM 0 HA THR A 132 -13.394 2.921 6.723 1.00 44.54 H new ATOM 0 HB THR A 132 -13.939 3.293 3.785 1.00 30.32 H new ATOM 0 HG1 THR A 132 -15.739 2.342 4.738 1.00 22.14 H new ATOM 0 HG21 THR A 132 -12.738 1.169 3.542 1.00 64.14 H new ATOM 0 HG22 THR A 132 -11.704 2.437 4.243 1.00 64.14 H new ATOM 0 HG23 THR A 132 -12.387 1.168 5.287 1.00 64.14 H new ATOM 2100 N ILE A 133 -12.636 5.648 4.985 1.00 41.51 N ATOM 2101 CA ILE A 133 -11.614 6.689 4.904 1.00 2.12 C ATOM 2102 C ILE A 133 -11.260 7.190 6.313 1.00 43.22 C ATOM 2103 O ILE A 133 -10.066 7.358 6.589 1.00 50.53 O ATOM 2104 CB ILE A 133 -12.047 7.806 3.924 1.00 31.31 C ATOM 2105 CG1 ILE A 133 -12.137 7.211 2.506 1.00 43.12 C ATOM 2106 CG2 ILE A 133 -11.031 8.958 3.846 1.00 54.14 C ATOM 2107 CD1 ILE A 133 -12.550 8.209 1.424 1.00 5.40 C ATOM 0 H ILE A 133 -13.465 5.828 4.419 1.00 41.51 H new ATOM 0 HA ILE A 133 -10.695 6.277 4.488 1.00 2.12 H new ATOM 0 HB ILE A 133 -12.998 8.193 4.289 1.00 31.31 H new ATOM 0 HG12 ILE A 133 -11.168 6.788 2.241 1.00 43.12 H new ATOM 0 HG13 ILE A 133 -12.852 6.388 2.516 1.00 43.12 H new ATOM 0 HG21 ILE A 133 -11.388 9.711 3.144 1.00 54.14 H new ATOM 0 HG22 ILE A 133 -10.914 9.408 4.832 1.00 54.14 H new ATOM 0 HG23 ILE A 133 -10.069 8.573 3.507 1.00 54.14 H new ATOM 0 HD11 ILE A 133 -12.588 7.704 0.459 1.00 5.40 H new ATOM 0 HD12 ILE A 133 -13.534 8.615 1.660 1.00 5.40 H new ATOM 0 HD13 ILE A 133 -11.823 9.020 1.381 1.00 5.40 H new ATOM 2119 N GLN A 134 -12.249 7.383 7.194 1.00 61.24 N ATOM 2120 CA GLN A 134 -12.007 7.812 8.570 1.00 14.23 C ATOM 2121 C GLN A 134 -11.167 6.783 9.329 1.00 12.32 C ATOM 2122 O GLN A 134 -10.214 7.179 10.007 1.00 22.42 O ATOM 2123 CB GLN A 134 -13.331 8.072 9.310 1.00 11.50 C ATOM 2124 CG GLN A 134 -14.263 9.120 8.673 1.00 12.23 C ATOM 2125 CD GLN A 134 -14.151 10.508 9.297 1.00 70.45 C ATOM 2126 OE1 GLN A 134 -15.084 10.998 9.925 1.00 31.41 O ATOM 2127 NE2 GLN A 134 -13.044 11.199 9.090 1.00 53.42 N ATOM 0 H GLN A 134 -13.235 7.246 6.971 1.00 61.24 H new ATOM 0 HA GLN A 134 -11.448 8.747 8.528 1.00 14.23 H new ATOM 0 HB2 GLN A 134 -13.874 7.130 9.386 1.00 11.50 H new ATOM 0 HB3 GLN A 134 -13.100 8.390 10.327 1.00 11.50 H new ATOM 0 HG2 GLN A 134 -14.039 9.192 7.609 1.00 12.23 H new ATOM 0 HG3 GLN A 134 -15.294 8.776 8.759 1.00 12.23 H new ATOM 0 HE21 GLN A 134 -12.274 10.783 8.567 1.00 53.42 H new ATOM 0 HE22 GLN A 134 -12.960 12.148 9.454 1.00 53.42 H new ATOM 2136 N ALA A 135 -11.486 5.494 9.167 1.00 34.43 N ATOM 2137 CA ALA A 135 -10.837 4.375 9.846 1.00 71.03 C ATOM 2138 C ALA A 135 -9.342 4.352 9.542 1.00 44.14 C ATOM 2139 O ALA A 135 -8.521 4.096 10.424 1.00 73.32 O ATOM 2140 CB ALA A 135 -11.496 3.057 9.419 1.00 73.14 C ATOM 0 H ALA A 135 -12.230 5.194 8.537 1.00 34.43 H new ATOM 0 HA ALA A 135 -10.958 4.499 10.922 1.00 71.03 H new ATOM 0 HB1 ALA A 135 -11.009 2.225 9.928 1.00 73.14 H new ATOM 0 HB2 ALA A 135 -12.553 3.076 9.685 1.00 73.14 H new ATOM 0 HB3 ALA A 135 -11.395 2.932 8.341 1.00 73.14 H new ATOM 2146 N VAL A 136 -8.979 4.648 8.292 1.00 4.13 N ATOM 2147 CA VAL A 136 -7.575 4.649 7.894 1.00 65.21 C ATOM 2148 C VAL A 136 -6.809 5.727 8.673 1.00 10.12 C ATOM 2149 O VAL A 136 -5.671 5.521 9.110 1.00 23.33 O ATOM 2150 CB VAL A 136 -7.487 4.846 6.367 1.00 64.15 C ATOM 2151 CG1 VAL A 136 -6.069 4.676 5.836 1.00 44.25 C ATOM 2152 CG2 VAL A 136 -8.409 3.895 5.596 1.00 74.14 C ATOM 0 H VAL A 136 -9.633 4.888 7.547 1.00 4.13 H new ATOM 0 HA VAL A 136 -7.108 3.694 8.136 1.00 65.21 H new ATOM 0 HB VAL A 136 -7.812 5.873 6.201 1.00 64.15 H new ATOM 0 HG11 VAL A 136 -6.064 4.825 4.756 1.00 44.25 H new ATOM 0 HG12 VAL A 136 -5.414 5.409 6.306 1.00 44.25 H new ATOM 0 HG13 VAL A 136 -5.713 3.672 6.065 1.00 44.25 H new ATOM 0 HG21 VAL A 136 -8.307 4.077 4.526 1.00 74.14 H new ATOM 0 HG22 VAL A 136 -8.134 2.863 5.816 1.00 74.14 H new ATOM 0 HG23 VAL A 136 -9.443 4.067 5.896 1.00 74.14 H new ATOM 2162 N GLN A 137 -7.411 6.909 8.833 1.00 23.02 N ATOM 2163 CA GLN A 137 -6.735 8.062 9.418 1.00 64.21 C ATOM 2164 C GLN A 137 -6.592 7.890 10.928 1.00 41.22 C ATOM 2165 O GLN A 137 -5.651 8.434 11.496 1.00 13.22 O ATOM 2166 CB GLN A 137 -7.515 9.348 9.136 1.00 72.25 C ATOM 2167 CG GLN A 137 -7.665 9.653 7.644 1.00 72.24 C ATOM 2168 CD GLN A 137 -6.419 10.206 6.956 1.00 61.04 C ATOM 2169 OE1 GLN A 137 -5.509 10.757 7.573 1.00 10.21 O ATOM 2170 NE2 GLN A 137 -6.362 10.060 5.644 1.00 4.24 N ATOM 0 H GLN A 137 -8.377 7.090 8.561 1.00 23.02 H new ATOM 0 HA GLN A 137 -5.747 8.132 8.964 1.00 64.21 H new ATOM 0 HB2 GLN A 137 -8.505 9.269 9.585 1.00 72.25 H new ATOM 0 HB3 GLN A 137 -7.011 10.184 9.621 1.00 72.25 H new ATOM 0 HG2 GLN A 137 -7.965 8.738 7.133 1.00 72.24 H new ATOM 0 HG3 GLN A 137 -8.476 10.370 7.518 1.00 72.24 H new ATOM 0 HE21 GLN A 137 -7.126 9.600 5.148 1.00 4.24 H new ATOM 0 HE22 GLN A 137 -5.554 10.407 5.127 1.00 4.24 H new ATOM 2179 N GLU A 138 -7.480 7.128 11.567 1.00 64.24 N ATOM 2180 CA GLU A 138 -7.387 6.788 12.980 1.00 23.12 C ATOM 2181 C GLU A 138 -6.047 6.126 13.268 1.00 33.10 C ATOM 2182 O GLU A 138 -5.286 6.573 14.126 1.00 32.03 O ATOM 2183 CB GLU A 138 -8.529 5.826 13.345 1.00 22.22 C ATOM 2184 CG GLU A 138 -9.880 6.535 13.487 1.00 51.51 C ATOM 2185 CD GLU A 138 -9.884 7.441 14.714 1.00 24.02 C ATOM 2186 OE1 GLU A 138 -9.457 8.610 14.625 1.00 10.50 O ATOM 2187 OE2 GLU A 138 -10.318 6.973 15.792 1.00 25.02 O ATOM 0 H GLU A 138 -8.296 6.725 11.106 1.00 64.24 H new ATOM 0 HA GLU A 138 -7.468 7.696 13.577 1.00 23.12 H new ATOM 0 HB2 GLU A 138 -8.607 5.055 12.579 1.00 22.22 H new ATOM 0 HB3 GLU A 138 -8.288 5.322 14.281 1.00 22.22 H new ATOM 0 HG2 GLU A 138 -10.084 7.124 12.593 1.00 51.51 H new ATOM 0 HG3 GLU A 138 -10.677 5.797 13.571 1.00 51.51 H new ATOM 2194 N GLU A 139 -5.761 5.078 12.507 1.00 43.55 N ATOM 2195 CA GLU A 139 -4.528 4.323 12.625 1.00 53.55 C ATOM 2196 C GLU A 139 -3.320 5.147 12.219 1.00 64.42 C ATOM 2197 O GLU A 139 -2.295 5.096 12.895 1.00 11.54 O ATOM 2198 CB GLU A 139 -4.603 3.079 11.782 1.00 23.24 C ATOM 2199 CG GLU A 139 -5.876 2.298 12.076 1.00 52.41 C ATOM 2200 CD GLU A 139 -6.291 2.094 13.541 1.00 24.42 C ATOM 2201 OE1 GLU A 139 -5.412 1.919 14.417 1.00 10.51 O ATOM 2202 OE2 GLU A 139 -7.510 1.998 13.806 1.00 51.11 O ATOM 0 H GLU A 139 -6.388 4.727 11.783 1.00 43.55 H new ATOM 0 HA GLU A 139 -4.408 4.050 13.673 1.00 53.55 H new ATOM 0 HB2 GLU A 139 -4.573 3.348 10.726 1.00 23.24 H new ATOM 0 HB3 GLU A 139 -3.734 2.451 11.976 1.00 23.24 H new ATOM 0 HG2 GLU A 139 -6.698 2.800 11.566 1.00 52.41 H new ATOM 0 HG3 GLU A 139 -5.773 1.313 11.621 1.00 52.41 H new ATOM 2209 N ASN A 140 -3.432 5.920 11.135 1.00 63.05 N ATOM 2210 CA ASN A 140 -2.367 6.829 10.697 1.00 73.41 C ATOM 2211 C ASN A 140 -1.874 7.657 11.889 1.00 74.15 C ATOM 2212 O ASN A 140 -0.672 7.719 12.112 1.00 44.35 O ATOM 2213 CB ASN A 140 -2.792 7.785 9.569 1.00 31.24 C ATOM 2214 CG ASN A 140 -2.632 7.306 8.141 1.00 65.24 C ATOM 2215 OD1 ASN A 140 -1.819 7.799 7.369 1.00 32.20 O ATOM 2216 ND2 ASN A 140 -3.463 6.400 7.699 1.00 21.13 N ATOM 0 H ASN A 140 -4.259 5.934 10.538 1.00 63.05 H new ATOM 0 HA ASN A 140 -1.574 6.197 10.297 1.00 73.41 H new ATOM 0 HB2 ASN A 140 -3.841 8.038 9.722 1.00 31.24 H new ATOM 0 HB3 ASN A 140 -2.222 8.708 9.679 1.00 31.24 H new ATOM 0 HD21 ASN A 140 -3.430 6.111 6.721 1.00 21.13 H new ATOM 0 HD22 ASN A 140 -4.145 5.982 8.332 1.00 21.13 H new ATOM 2223 N LYS A 141 -2.778 8.243 12.684 1.00 5.23 N ATOM 2224 CA LYS A 141 -2.415 9.072 13.838 1.00 52.53 C ATOM 2225 C LYS A 141 -1.566 8.297 14.835 1.00 53.51 C ATOM 2226 O LYS A 141 -0.533 8.791 15.271 1.00 21.40 O ATOM 2227 CB LYS A 141 -3.681 9.558 14.540 1.00 72.22 C ATOM 2228 CG LYS A 141 -4.501 10.525 13.682 1.00 71.22 C ATOM 2229 CD LYS A 141 -5.975 10.543 14.121 1.00 61.42 C ATOM 2230 CE LYS A 141 -6.312 11.912 14.710 1.00 71.12 C ATOM 2231 NZ LYS A 141 -7.751 12.070 14.996 1.00 2.21 N ATOM 0 H LYS A 141 -3.784 8.155 12.544 1.00 5.23 H new ATOM 0 HA LYS A 141 -1.835 9.918 13.471 1.00 52.53 H new ATOM 0 HB2 LYS A 141 -4.298 8.699 14.802 1.00 72.22 H new ATOM 0 HB3 LYS A 141 -3.407 10.050 15.473 1.00 72.22 H new ATOM 0 HG2 LYS A 141 -4.083 11.529 13.760 1.00 71.22 H new ATOM 0 HG3 LYS A 141 -4.434 10.232 12.634 1.00 71.22 H new ATOM 0 HD2 LYS A 141 -6.622 10.332 13.270 1.00 61.42 H new ATOM 0 HD3 LYS A 141 -6.155 9.762 14.860 1.00 61.42 H new ATOM 0 HE2 LYS A 141 -5.745 12.057 15.629 1.00 71.12 H new ATOM 0 HE3 LYS A 141 -5.996 12.690 14.015 1.00 71.12 H new ATOM 0 HZ1 LYS A 141 -7.924 13.015 15.393 1.00 2.21 H new ATOM 0 HZ2 LYS A 141 -8.294 11.960 14.116 1.00 2.21 H new ATOM 0 HZ3 LYS A 141 -8.050 11.347 15.681 1.00 2.21 H new ATOM 2245 N ALA A 142 -2.010 7.095 15.193 1.00 74.35 N ATOM 2246 CA ALA A 142 -1.349 6.202 16.147 1.00 13.33 C ATOM 2247 C ALA A 142 0.014 5.687 15.654 1.00 24.03 C ATOM 2248 O ALA A 142 0.789 5.126 16.433 1.00 73.04 O ATOM 2249 CB ALA A 142 -2.296 5.026 16.421 1.00 3.42 C ATOM 0 H ALA A 142 -2.871 6.700 14.814 1.00 74.35 H new ATOM 0 HA ALA A 142 -1.140 6.765 17.056 1.00 13.33 H new ATOM 0 HB1 ALA A 142 -1.830 4.341 17.130 1.00 3.42 H new ATOM 0 HB2 ALA A 142 -3.230 5.401 16.839 1.00 3.42 H new ATOM 0 HB3 ALA A 142 -2.501 4.499 15.489 1.00 3.42 H new ATOM 2255 N PHE A 143 0.305 5.826 14.362 1.00 10.51 N ATOM 2256 CA PHE A 143 1.617 5.558 13.801 1.00 54.52 C ATOM 2257 C PHE A 143 2.418 6.860 13.841 1.00 22.00 C ATOM 2258 O PHE A 143 3.458 6.908 14.491 1.00 73.43 O ATOM 2259 CB PHE A 143 1.430 4.972 12.398 1.00 41.54 C ATOM 2260 CG PHE A 143 2.713 4.615 11.659 1.00 4.31 C ATOM 2261 CD1 PHE A 143 3.553 5.614 11.130 1.00 1.13 C ATOM 2262 CD2 PHE A 143 3.066 3.267 11.471 1.00 31.02 C ATOM 2263 CE1 PHE A 143 4.715 5.273 10.416 1.00 23.24 C ATOM 2264 CE2 PHE A 143 4.235 2.920 10.775 1.00 52.55 C ATOM 2265 CZ PHE A 143 5.052 3.922 10.230 1.00 45.23 C ATOM 0 H PHE A 143 -0.378 6.133 13.670 1.00 10.51 H new ATOM 0 HA PHE A 143 2.184 4.820 14.369 1.00 54.52 H new ATOM 0 HB2 PHE A 143 0.816 4.075 12.477 1.00 41.54 H new ATOM 0 HB3 PHE A 143 0.872 5.689 11.796 1.00 41.54 H new ATOM 0 HD1 PHE A 143 3.302 6.654 11.275 1.00 1.13 H new ATOM 0 HD2 PHE A 143 2.430 2.489 11.867 1.00 31.02 H new ATOM 0 HE1 PHE A 143 5.348 6.049 10.011 1.00 23.24 H new ATOM 0 HE2 PHE A 143 4.506 1.881 10.659 1.00 52.55 H new ATOM 0 HZ PHE A 143 5.936 3.656 9.670 1.00 45.23 H new ATOM 2275 N GLU A 144 1.952 7.923 13.176 1.00 45.44 N ATOM 2276 CA GLU A 144 2.721 9.155 12.972 1.00 52.54 C ATOM 2277 C GLU A 144 3.029 9.912 14.264 1.00 31.14 C ATOM 2278 O GLU A 144 4.007 10.657 14.328 1.00 71.03 O ATOM 2279 CB GLU A 144 2.070 10.068 11.949 1.00 5.22 C ATOM 2280 CG GLU A 144 0.733 10.614 12.431 1.00 3.44 C ATOM 2281 CD GLU A 144 0.663 12.124 12.727 1.00 23.21 C ATOM 2282 OE1 GLU A 144 1.654 12.878 12.583 1.00 61.13 O ATOM 2283 OE2 GLU A 144 -0.424 12.568 13.179 1.00 24.31 O ATOM 0 H GLU A 144 1.021 7.952 12.760 1.00 45.44 H new ATOM 0 HA GLU A 144 3.682 8.827 12.575 1.00 52.54 H new ATOM 0 HB2 GLU A 144 2.741 10.898 11.727 1.00 5.22 H new ATOM 0 HB3 GLU A 144 1.922 9.520 11.018 1.00 5.22 H new ATOM 0 HG2 GLU A 144 -0.020 10.381 11.678 1.00 3.44 H new ATOM 0 HG3 GLU A 144 0.454 10.077 13.338 1.00 3.44 H new ATOM 2290 N GLU A 145 2.222 9.701 15.309 1.00 30.41 N ATOM 2291 CA GLU A 145 2.489 10.237 16.632 1.00 65.01 C ATOM 2292 C GLU A 145 3.854 9.727 17.127 1.00 52.43 C ATOM 2293 O GLU A 145 4.569 10.463 17.805 1.00 70.41 O ATOM 2294 CB GLU A 145 1.347 9.847 17.585 1.00 72.24 C ATOM 2295 CG GLU A 145 1.416 10.571 18.937 1.00 5.14 C ATOM 2296 CD GLU A 145 1.090 9.710 20.163 1.00 10.31 C ATOM 2297 OE1 GLU A 145 0.369 8.697 20.092 1.00 71.43 O ATOM 2298 OE2 GLU A 145 1.498 10.121 21.275 1.00 31.02 O ATOM 0 H GLU A 145 1.365 9.151 15.253 1.00 30.41 H new ATOM 0 HA GLU A 145 2.534 11.326 16.597 1.00 65.01 H new ATOM 0 HB2 GLU A 145 0.392 10.070 17.109 1.00 72.24 H new ATOM 0 HB3 GLU A 145 1.375 8.771 17.754 1.00 72.24 H new ATOM 0 HG2 GLU A 145 2.418 10.982 19.059 1.00 5.14 H new ATOM 0 HG3 GLU A 145 0.726 11.415 18.913 1.00 5.14 H new ATOM 2305 N LEU A 146 4.248 8.506 16.746 1.00 33.44 N ATOM 2306 CA LEU A 146 5.322 7.731 17.376 1.00 10.53 C ATOM 2307 C LEU A 146 6.471 7.422 16.406 1.00 72.04 C ATOM 2308 O LEU A 146 7.611 7.197 16.831 1.00 3.50 O ATOM 2309 CB LEU A 146 4.716 6.465 17.984 1.00 5.24 C ATOM 2310 CG LEU A 146 3.647 6.824 19.043 1.00 54.52 C ATOM 2311 CD1 LEU A 146 2.949 5.563 19.511 1.00 11.21 C ATOM 2312 CD2 LEU A 146 4.220 7.574 20.253 1.00 33.42 C ATOM 0 H LEU A 146 3.813 8.015 15.965 1.00 33.44 H new ATOM 0 HA LEU A 146 5.775 8.328 18.168 1.00 10.53 H new ATOM 0 HB2 LEU A 146 4.267 5.857 17.198 1.00 5.24 H new ATOM 0 HB3 LEU A 146 5.501 5.864 18.442 1.00 5.24 H new ATOM 0 HG LEU A 146 2.940 7.498 18.560 1.00 54.52 H new ATOM 0 HD11 LEU A 146 2.197 5.819 20.257 1.00 11.21 H new ATOM 0 HD12 LEU A 146 2.468 5.077 18.662 1.00 11.21 H new ATOM 0 HD13 LEU A 146 3.680 4.885 19.951 1.00 11.21 H new ATOM 0 HD21 LEU A 146 3.418 7.795 20.957 1.00 33.42 H new ATOM 0 HD22 LEU A 146 4.972 6.955 20.742 1.00 33.42 H new ATOM 0 HD23 LEU A 146 4.678 8.505 19.920 1.00 33.42 H new ATOM 2324 N HIS A 147 6.160 7.463 15.110 1.00 24.42 N ATOM 2325 CA HIS A 147 7.011 7.238 13.947 1.00 1.50 C ATOM 2326 C HIS A 147 6.882 8.453 13.015 1.00 12.50 C ATOM 2327 O HIS A 147 6.159 8.398 12.016 1.00 43.13 O ATOM 2328 CB HIS A 147 6.619 5.928 13.255 1.00 53.42 C ATOM 2329 CG HIS A 147 7.086 4.711 13.997 1.00 21.12 C ATOM 2330 ND1 HIS A 147 8.299 4.080 13.831 1.00 4.32 N ATOM 2331 CD2 HIS A 147 6.375 4.027 14.943 1.00 25.33 C ATOM 2332 CE1 HIS A 147 8.308 3.010 14.639 1.00 50.33 C ATOM 2333 NE2 HIS A 147 7.178 2.961 15.368 1.00 23.00 N ATOM 0 H HIS A 147 5.205 7.677 14.822 1.00 24.42 H new ATOM 0 HA HIS A 147 8.055 7.136 14.242 1.00 1.50 H new ATOM 0 HB2 HIS A 147 5.535 5.889 13.150 1.00 53.42 H new ATOM 0 HB3 HIS A 147 7.037 5.916 12.248 1.00 53.42 H new ATOM 0 HD2 HIS A 147 5.382 4.264 15.296 1.00 25.33 H new ATOM 0 HE1 HIS A 147 9.110 2.289 14.697 1.00 50.33 H new ATOM 0 HE2 HIS A 147 6.950 2.279 16.091 1.00 23.00 H new ATOM 2341 N PRO A 148 7.530 9.579 13.351 1.00 14.53 N ATOM 2342 CA PRO A 148 7.385 10.841 12.638 1.00 11.51 C ATOM 2343 C PRO A 148 8.134 10.832 11.315 1.00 52.32 C ATOM 2344 O PRO A 148 7.573 11.315 10.306 1.00 74.01 O ATOM 2345 CB PRO A 148 7.946 11.903 13.582 1.00 25.04 C ATOM 2346 CG PRO A 148 8.978 11.139 14.411 1.00 44.14 C ATOM 2347 CD PRO A 148 8.347 9.762 14.541 1.00 30.40 C ATOM 0 HA PRO A 148 6.343 11.033 12.380 1.00 11.51 H new ATOM 0 HB2 PRO A 148 8.403 12.726 13.033 1.00 25.04 H new ATOM 0 HB3 PRO A 148 7.166 12.333 14.210 1.00 25.04 H new ATOM 0 HG2 PRO A 148 9.946 11.096 13.912 1.00 44.14 H new ATOM 0 HG3 PRO A 148 9.141 11.604 15.384 1.00 44.14 H new ATOM 0 HD2 PRO A 148 9.111 8.988 14.612 1.00 30.40 H new ATOM 0 HD3 PRO A 148 7.741 9.695 15.444 1.00 30.40 H new TER 2355 PRO A 148