USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 481 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 28:sc= 0.427 USER MOD Single : A 10 MET CE :methyl 156:sc= -9.29! (180deg=-14.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 21 SER OG : rot 125:sc= 1.45 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -3.29! C(o=-4!,f=-3.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.435 F(o=-2.6!,f=-0.44) USER MOD Single : A 35 GLN : amide:sc= -0.365 X(o=-0.36,f=-0.22) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0266 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -41:sc= 0.763 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -164:sc= 0.162 USER MOD Single : A 62 GLN :FLIP amide:sc= -3.68! C(o=-11!,f=-3.7!) USER MOD Single : A 64 SER OG : rot 70:sc= -2.33! USER MOD Single : A 67 ASN : amide:sc= -3.99! C(o=-4!,f=-3.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.697 15.019 -7.835 1.00 44.55 N ATOM 2 CA GLY A 1 8.978 14.914 -6.414 1.00 4.43 C ATOM 3 C GLY A 1 7.783 15.285 -5.559 1.00 43.32 C ATOM 4 O GLY A 1 7.759 16.350 -4.942 1.00 14.14 O ATOM 0 H1 GLY A 1 9.545 14.755 -8.377 1.00 44.55 H new ATOM 0 H2 GLY A 1 7.915 14.380 -8.082 1.00 44.55 H new ATOM 0 H3 GLY A 1 8.430 15.998 -8.065 1.00 44.55 H new ATOM 0 HA2 GLY A 1 9.285 13.894 -6.182 1.00 4.43 H new ATOM 0 HA3 GLY A 1 9.816 15.564 -6.163 1.00 4.43 H new ATOM 8 N ALA A 2 6.789 14.405 -5.520 1.00 22.55 N ATOM 9 CA ALA A 2 5.585 14.646 -4.734 1.00 72.44 C ATOM 10 C ALA A 2 5.934 15.168 -3.344 1.00 41.22 C ATOM 11 O ALA A 2 7.098 15.170 -2.946 1.00 51.43 O ATOM 12 CB ALA A 2 4.760 13.371 -4.629 1.00 21.04 C ATOM 0 H ALA A 2 6.793 13.518 -6.024 1.00 22.55 H new ATOM 0 HA ALA A 2 4.994 15.408 -5.243 1.00 72.44 H new ATOM 0 HB1 ALA A 2 3.864 13.565 -4.040 1.00 21.04 H new ATOM 0 HB2 ALA A 2 4.473 13.040 -5.627 1.00 21.04 H new ATOM 0 HB3 ALA A 2 5.351 12.594 -4.145 1.00 21.04 H new ATOM 18 N MET A 3 4.917 15.610 -2.611 1.00 62.32 N ATOM 19 CA MET A 3 5.117 16.135 -1.266 1.00 64.14 C ATOM 20 C MET A 3 4.157 15.479 -0.278 1.00 71.34 C ATOM 21 O MET A 3 3.307 14.677 -0.663 1.00 5.34 O ATOM 22 CB MET A 3 4.922 17.652 -1.251 1.00 34.23 C ATOM 23 CG MET A 3 6.219 18.432 -1.386 1.00 2.14 C ATOM 24 SD MET A 3 6.924 18.888 0.209 1.00 21.22 S ATOM 25 CE MET A 3 8.664 18.584 -0.090 1.00 25.34 C ATOM 0 H MET A 3 3.947 15.615 -2.926 1.00 62.32 H new ATOM 0 HA MET A 3 6.138 15.905 -0.963 1.00 64.14 H new ATOM 0 HB2 MET A 3 4.253 17.932 -2.064 1.00 34.23 H new ATOM 0 HB3 MET A 3 4.431 17.938 -0.321 1.00 34.23 H new ATOM 0 HG2 MET A 3 6.942 17.834 -1.941 1.00 2.14 H new ATOM 0 HG3 MET A 3 6.037 19.334 -1.970 1.00 2.14 H new ATOM 0 HE1 MET A 3 9.234 18.821 0.808 1.00 25.34 H new ATOM 0 HE2 MET A 3 8.811 17.535 -0.347 1.00 25.34 H new ATOM 0 HE3 MET A 3 9.007 19.211 -0.913 1.00 25.34 H new ATOM 33 N GLY A 4 4.301 15.823 0.999 1.00 24.45 N ATOM 34 CA GLY A 4 3.440 15.257 2.021 1.00 34.24 C ATOM 35 C GLY A 4 4.187 14.952 3.304 1.00 1.03 C ATOM 36 O GLY A 4 5.360 14.578 3.291 1.00 11.24 O ATOM 0 H GLY A 4 4.998 16.483 1.343 1.00 24.45 H new ATOM 0 HA2 GLY A 4 2.628 15.952 2.233 1.00 34.24 H new ATOM 0 HA3 GLY A 4 2.985 14.342 1.643 1.00 34.24 H new ATOM 40 N PRO A 5 3.501 15.114 4.445 1.00 63.15 N ATOM 41 CA PRO A 5 4.088 14.859 5.764 1.00 41.44 C ATOM 42 C PRO A 5 4.339 13.376 6.011 1.00 14.44 C ATOM 43 O PRO A 5 5.267 13.005 6.731 1.00 23.53 O ATOM 44 CB PRO A 5 3.028 15.390 6.733 1.00 10.24 C ATOM 45 CG PRO A 5 1.747 15.305 5.976 1.00 62.12 C ATOM 46 CD PRO A 5 2.100 15.557 4.536 1.00 22.40 C ATOM 0 HA PRO A 5 5.063 15.334 5.874 1.00 41.44 H new ATOM 0 HB2 PRO A 5 2.990 14.793 7.644 1.00 10.24 H new ATOM 0 HB3 PRO A 5 3.244 16.416 7.033 1.00 10.24 H new ATOM 0 HG2 PRO A 5 1.285 14.325 6.099 1.00 62.12 H new ATOM 0 HG3 PRO A 5 1.030 16.043 6.337 1.00 62.12 H new ATOM 0 HD2 PRO A 5 1.456 14.994 3.860 1.00 22.40 H new ATOM 0 HD3 PRO A 5 1.994 16.610 4.275 1.00 22.40 H new ATOM 51 N ARG A 6 3.508 12.532 5.408 1.00 62.54 N ATOM 52 CA ARG A 6 3.641 11.088 5.563 1.00 44.22 C ATOM 53 C ARG A 6 3.760 10.404 4.205 1.00 12.42 C ATOM 54 O ARG A 6 2.760 10.162 3.532 1.00 34.42 O ATOM 55 CB ARG A 6 2.441 10.524 6.326 1.00 70.04 C ATOM 56 CG ARG A 6 1.969 11.415 7.465 1.00 20.55 C ATOM 57 CD ARG A 6 0.484 11.228 7.738 1.00 42.40 C ATOM 58 NE ARG A 6 -0.204 12.505 7.908 1.00 24.34 N ATOM 59 CZ ARG A 6 -1.437 12.617 8.391 1.00 63.01 C ATOM 60 NH1 ARG A 6 -2.112 11.533 8.751 1.00 0.14 N ATOM 61 NH2 ARG A 6 -1.996 13.813 8.515 1.00 64.13 N ATOM 0 H ARG A 6 2.736 12.823 4.808 1.00 62.54 H new ATOM 0 HA ARG A 6 4.550 10.891 6.131 1.00 44.22 H new ATOM 0 HB2 ARG A 6 1.617 10.372 5.629 1.00 70.04 H new ATOM 0 HB3 ARG A 6 2.704 9.545 6.727 1.00 70.04 H new ATOM 0 HG2 ARG A 6 2.538 11.187 8.367 1.00 20.55 H new ATOM 0 HG3 ARG A 6 2.167 12.458 7.219 1.00 20.55 H new ATOM 0 HD2 ARG A 6 0.030 10.678 6.914 1.00 42.40 H new ATOM 0 HD3 ARG A 6 0.353 10.623 8.635 1.00 42.40 H new ATOM 0 HE ARG A 6 0.289 13.357 7.641 1.00 24.34 H new ATOM 0 HH11 ARG A 6 -1.685 10.612 8.657 1.00 0.14 H new ATOM 0 HH12 ARG A 6 -3.058 11.621 9.122 1.00 0.14 H new ATOM 0 HH21 ARG A 6 -1.480 14.648 8.240 1.00 64.13 H new ATOM 0 HH22 ARG A 6 -2.942 13.898 8.886 1.00 64.13 H new ATOM 72 N GLU A 7 4.992 10.096 3.809 1.00 44.33 N ATOM 73 CA GLU A 7 5.242 9.442 2.531 1.00 22.45 C ATOM 74 C GLU A 7 5.453 7.942 2.720 1.00 20.22 C ATOM 75 O GLU A 7 6.485 7.509 3.231 1.00 72.53 O ATOM 76 CB GLU A 7 6.464 10.058 1.847 1.00 40.25 C ATOM 77 CG GLU A 7 7.680 10.163 2.754 1.00 24.10 C ATOM 78 CD GLU A 7 7.740 11.483 3.497 1.00 10.50 C ATOM 79 OE1 GLU A 7 6.918 11.684 4.416 1.00 31.23 O ATOM 80 OE2 GLU A 7 8.610 12.314 3.162 1.00 5.25 O ATOM 0 H GLU A 7 5.831 10.289 4.355 1.00 44.33 H new ATOM 0 HA GLU A 7 4.367 9.592 1.898 1.00 22.45 H new ATOM 0 HB2 GLU A 7 6.723 9.458 0.974 1.00 40.25 H new ATOM 0 HB3 GLU A 7 6.204 11.053 1.485 1.00 40.25 H new ATOM 0 HG2 GLU A 7 7.663 9.345 3.474 1.00 24.10 H new ATOM 0 HG3 GLU A 7 8.585 10.044 2.158 1.00 24.10 H new ATOM 85 N VAL A 8 4.466 7.154 2.303 1.00 43.43 N ATOM 86 CA VAL A 8 4.543 5.704 2.425 1.00 61.53 C ATOM 87 C VAL A 8 5.071 5.071 1.142 1.00 12.20 C ATOM 88 O VAL A 8 4.581 5.355 0.049 1.00 32.15 O ATOM 89 CB VAL A 8 3.168 5.095 2.755 1.00 45.11 C ATOM 90 CG1 VAL A 8 2.127 5.543 1.740 1.00 21.52 C ATOM 91 CG2 VAL A 8 3.255 3.577 2.806 1.00 32.31 C ATOM 0 H VAL A 8 3.604 7.496 1.878 1.00 43.43 H new ATOM 0 HA VAL A 8 5.232 5.492 3.242 1.00 61.53 H new ATOM 0 HB VAL A 8 2.860 5.452 3.738 1.00 45.11 H new ATOM 0 HG11 VAL A 8 1.162 5.102 1.990 1.00 21.52 H new ATOM 0 HG12 VAL A 8 2.045 6.630 1.758 1.00 21.52 H new ATOM 0 HG13 VAL A 8 2.427 5.218 0.744 1.00 21.52 H new ATOM 0 HG21 VAL A 8 2.274 3.164 3.040 1.00 32.31 H new ATOM 0 HG22 VAL A 8 3.586 3.199 1.839 1.00 32.31 H new ATOM 0 HG23 VAL A 8 3.967 3.279 3.575 1.00 32.31 H new ATOM 101 N THR A 9 6.075 4.212 1.282 1.00 71.15 N ATOM 102 CA THR A 9 6.672 3.539 0.136 1.00 23.42 C ATOM 103 C THR A 9 6.686 2.027 0.331 1.00 64.11 C ATOM 104 O THR A 9 7.221 1.524 1.318 1.00 2.22 O ATOM 105 CB THR A 9 8.112 4.026 -0.115 1.00 25.43 C ATOM 106 OG1 THR A 9 8.932 3.737 1.023 1.00 20.53 O ATOM 107 CG2 THR A 9 8.135 5.520 -0.399 1.00 72.13 C ATOM 0 H THR A 9 6.492 3.966 2.179 1.00 71.15 H new ATOM 0 HA THR A 9 6.057 3.785 -0.730 1.00 23.42 H new ATOM 0 HB THR A 9 8.504 3.501 -0.986 1.00 25.43 H new ATOM 0 HG1 THR A 9 8.581 2.949 1.487 1.00 20.53 H new ATOM 0 HG21 THR A 9 9.162 5.841 -0.573 1.00 72.13 H new ATOM 0 HG22 THR A 9 7.534 5.732 -1.283 1.00 72.13 H new ATOM 0 HG23 THR A 9 7.726 6.059 0.455 1.00 72.13 H new ATOM 115 N MET A 10 6.093 1.308 -0.617 1.00 75.24 N ATOM 116 CA MET A 10 6.040 -0.148 -0.550 1.00 73.04 C ATOM 117 C MET A 10 7.231 -0.771 -1.272 1.00 63.11 C ATOM 118 O MET A 10 7.322 -0.718 -2.499 1.00 63.20 O ATOM 119 CB MET A 10 4.734 -0.661 -1.159 1.00 41.12 C ATOM 120 CG MET A 10 3.502 0.083 -0.670 1.00 13.33 C ATOM 121 SD MET A 10 2.159 0.068 -1.873 1.00 43.33 S ATOM 122 CE MET A 10 2.613 -1.350 -2.869 1.00 1.24 C ATOM 0 H MET A 10 5.643 1.709 -1.440 1.00 75.24 H new ATOM 0 HA MET A 10 6.082 -0.439 0.500 1.00 73.04 H new ATOM 0 HB2 MET A 10 4.792 -0.578 -2.244 1.00 41.12 H new ATOM 0 HB3 MET A 10 4.625 -1.720 -0.926 1.00 41.12 H new ATOM 0 HG2 MET A 10 3.156 -0.367 0.261 1.00 13.33 H new ATOM 0 HG3 MET A 10 3.771 1.115 -0.444 1.00 13.33 H new ATOM 0 HE1 MET A 10 1.725 -1.751 -3.357 1.00 1.24 H new ATOM 0 HE2 MET A 10 3.337 -1.047 -3.625 1.00 1.24 H new ATOM 0 HE3 MET A 10 3.054 -2.116 -2.231 1.00 1.24 H new ATOM 130 N LYS A 11 8.142 -1.359 -0.504 1.00 12.23 N ATOM 131 CA LYS A 11 9.327 -1.992 -1.072 1.00 45.02 C ATOM 132 C LYS A 11 9.065 -3.465 -1.372 1.00 12.53 C ATOM 133 O LYS A 11 8.610 -4.214 -0.509 1.00 44.11 O ATOM 134 CB LYS A 11 10.510 -1.860 -0.110 1.00 13.41 C ATOM 135 CG LYS A 11 10.465 -2.840 1.049 1.00 60.13 C ATOM 136 CD LYS A 11 11.678 -2.692 1.952 1.00 73.31 C ATOM 137 CE LYS A 11 12.533 -3.951 1.946 1.00 40.43 C ATOM 138 NZ LYS A 11 13.904 -3.693 2.467 1.00 60.11 N ATOM 0 H LYS A 11 8.083 -1.410 0.513 1.00 12.23 H new ATOM 0 HA LYS A 11 9.567 -1.485 -2.007 1.00 45.02 H new ATOM 0 HB2 LYS A 11 11.437 -2.009 -0.665 1.00 13.41 H new ATOM 0 HB3 LYS A 11 10.534 -0.844 0.285 1.00 13.41 H new ATOM 0 HG2 LYS A 11 9.557 -2.677 1.629 1.00 60.13 H new ATOM 0 HG3 LYS A 11 10.419 -3.859 0.664 1.00 60.13 H new ATOM 0 HD2 LYS A 11 12.277 -1.843 1.623 1.00 73.31 H new ATOM 0 HD3 LYS A 11 11.352 -2.477 2.970 1.00 73.31 H new ATOM 0 HE2 LYS A 11 12.053 -4.719 2.552 1.00 40.43 H new ATOM 0 HE3 LYS A 11 12.598 -4.341 0.930 1.00 40.43 H new ATOM 0 HZ1 LYS A 11 14.455 -4.575 2.447 1.00 60.11 H new ATOM 0 HZ2 LYS A 11 14.372 -2.979 1.874 1.00 60.11 H new ATOM 0 HZ3 LYS A 11 13.844 -3.345 3.445 1.00 60.11 H new ATOM 148 N LYS A 12 9.358 -3.873 -2.603 1.00 51.44 N ATOM 149 CA LYS A 12 9.158 -5.256 -3.018 1.00 31.11 C ATOM 150 C LYS A 12 9.648 -6.222 -1.945 1.00 24.50 C ATOM 151 O LYS A 12 10.808 -6.177 -1.538 1.00 71.14 O ATOM 152 CB LYS A 12 9.889 -5.525 -4.335 1.00 64.34 C ATOM 153 CG LYS A 12 9.163 -6.502 -5.244 1.00 32.54 C ATOM 154 CD LYS A 12 9.428 -6.201 -6.710 1.00 10.24 C ATOM 155 CE LYS A 12 10.156 -7.349 -7.393 1.00 40.03 C ATOM 156 NZ LYS A 12 11.163 -6.861 -8.374 1.00 54.42 N ATOM 0 H LYS A 12 9.735 -3.265 -3.330 1.00 51.44 H new ATOM 0 HA LYS A 12 8.090 -5.415 -3.164 1.00 31.11 H new ATOM 0 HB2 LYS A 12 10.026 -4.582 -4.864 1.00 64.34 H new ATOM 0 HB3 LYS A 12 10.883 -5.915 -4.116 1.00 64.34 H new ATOM 0 HG2 LYS A 12 9.483 -7.519 -5.017 1.00 32.54 H new ATOM 0 HG3 LYS A 12 8.092 -6.454 -5.050 1.00 32.54 H new ATOM 0 HD2 LYS A 12 8.483 -6.013 -7.220 1.00 10.24 H new ATOM 0 HD3 LYS A 12 10.022 -5.291 -6.794 1.00 10.24 H new ATOM 0 HE2 LYS A 12 10.650 -7.964 -6.641 1.00 40.03 H new ATOM 0 HE3 LYS A 12 9.433 -7.986 -7.902 1.00 40.03 H new ATOM 0 HZ1 LYS A 12 11.637 -7.673 -8.818 1.00 54.42 H new ATOM 0 HZ2 LYS A 12 10.689 -6.295 -9.106 1.00 54.42 H new ATOM 0 HZ3 LYS A 12 11.868 -6.273 -7.885 1.00 54.42 H new ATOM 166 N GLY A 13 8.756 -7.099 -1.491 1.00 34.04 N ATOM 167 CA GLY A 13 9.118 -8.064 -0.471 1.00 72.42 C ATOM 168 C GLY A 13 9.007 -7.497 0.930 1.00 65.32 C ATOM 169 O GLY A 13 9.871 -7.735 1.774 1.00 13.43 O ATOM 0 H GLY A 13 7.790 -7.157 -1.812 1.00 34.04 H new ATOM 0 HA2 GLY A 13 8.473 -8.939 -0.558 1.00 72.42 H new ATOM 0 HA3 GLY A 13 10.140 -8.403 -0.642 1.00 72.42 H new ATOM 173 N ASP A 14 7.941 -6.744 1.180 1.00 21.44 N ATOM 174 CA ASP A 14 7.719 -6.140 2.488 1.00 33.30 C ATOM 175 C ASP A 14 6.252 -6.243 2.893 1.00 12.01 C ATOM 176 O ASP A 14 5.357 -6.056 2.068 1.00 5.21 O ATOM 177 CB ASP A 14 8.158 -4.675 2.478 1.00 33.23 C ATOM 178 CG ASP A 14 8.849 -4.269 3.764 1.00 41.34 C ATOM 179 OD1 ASP A 14 8.815 -5.059 4.731 1.00 23.43 O ATOM 180 OD2 ASP A 14 9.423 -3.160 3.805 1.00 72.03 O ATOM 0 H ASP A 14 7.216 -6.537 0.493 1.00 21.44 H new ATOM 0 HA ASP A 14 8.317 -6.685 3.219 1.00 33.30 H new ATOM 0 HB2 ASP A 14 8.832 -4.506 1.638 1.00 33.23 H new ATOM 0 HB3 ASP A 14 7.287 -4.039 2.320 1.00 33.23 H new ATOM 184 N ILE A 15 6.014 -6.542 4.165 1.00 13.42 N ATOM 185 CA ILE A 15 4.656 -6.669 4.679 1.00 1.12 C ATOM 186 C ILE A 15 4.162 -5.348 5.259 1.00 33.13 C ATOM 187 O ILE A 15 4.842 -4.722 6.073 1.00 43.11 O ATOM 188 CB ILE A 15 4.563 -7.759 5.762 1.00 70.32 C ATOM 189 CG1 ILE A 15 5.236 -9.046 5.281 1.00 12.12 C ATOM 190 CG2 ILE A 15 3.110 -8.020 6.129 1.00 23.24 C ATOM 191 CD1 ILE A 15 5.437 -10.070 6.376 1.00 3.33 C ATOM 0 H ILE A 15 6.744 -6.701 4.859 1.00 13.42 H new ATOM 0 HA ILE A 15 4.025 -6.952 3.836 1.00 1.12 H new ATOM 0 HB ILE A 15 5.085 -7.409 6.653 1.00 70.32 H new ATOM 0 HG12 ILE A 15 4.632 -9.488 4.488 1.00 12.12 H new ATOM 0 HG13 ILE A 15 6.204 -8.799 4.844 1.00 12.12 H new ATOM 0 HG21 ILE A 15 3.062 -8.793 6.896 1.00 23.24 H new ATOM 0 HG22 ILE A 15 2.660 -7.103 6.510 1.00 23.24 H new ATOM 0 HG23 ILE A 15 2.565 -8.351 5.245 1.00 23.24 H new ATOM 0 HD11 ILE A 15 5.919 -10.956 5.962 1.00 3.33 H new ATOM 0 HD12 ILE A 15 6.067 -9.647 7.159 1.00 3.33 H new ATOM 0 HD13 ILE A 15 4.471 -10.346 6.797 1.00 3.33 H new ATOM 202 N LEU A 16 2.974 -4.930 4.835 1.00 53.52 N ATOM 203 CA LEU A 16 2.386 -3.683 5.313 1.00 54.14 C ATOM 204 C LEU A 16 0.956 -3.905 5.794 1.00 2.33 C ATOM 205 O LEU A 16 0.165 -4.581 5.135 1.00 11.31 O ATOM 206 CB LEU A 16 2.407 -2.628 4.206 1.00 54.14 C ATOM 207 CG LEU A 16 3.535 -2.753 3.182 1.00 73.41 C ATOM 208 CD1 LEU A 16 3.042 -3.455 1.927 1.00 23.23 C ATOM 209 CD2 LEU A 16 4.100 -1.382 2.841 1.00 75.10 C ATOM 0 H LEU A 16 2.399 -5.436 4.161 1.00 53.52 H new ATOM 0 HA LEU A 16 2.982 -3.328 6.154 1.00 54.14 H new ATOM 0 HB2 LEU A 16 1.456 -2.668 3.676 1.00 54.14 H new ATOM 0 HB3 LEU A 16 2.472 -1.644 4.670 1.00 54.14 H new ATOM 0 HG LEU A 16 4.332 -3.354 3.620 1.00 73.41 H new ATOM 0 HD11 LEU A 16 3.859 -3.535 1.210 1.00 23.23 H new ATOM 0 HD12 LEU A 16 2.686 -4.453 2.184 1.00 23.23 H new ATOM 0 HD13 LEU A 16 2.227 -2.882 1.486 1.00 23.23 H new ATOM 0 HD21 LEU A 16 4.902 -1.490 2.111 1.00 75.10 H new ATOM 0 HD22 LEU A 16 3.311 -0.757 2.423 1.00 75.10 H new ATOM 0 HD23 LEU A 16 4.493 -0.915 3.744 1.00 75.10 H new ATOM 220 N THR A 17 0.628 -3.328 6.946 1.00 73.35 N ATOM 221 CA THR A 17 -0.707 -3.463 7.514 1.00 3.40 C ATOM 222 C THR A 17 -1.780 -3.159 6.474 1.00 62.35 C ATOM 223 O THR A 17 -1.775 -2.095 5.854 1.00 31.54 O ATOM 224 CB THR A 17 -0.900 -2.525 8.723 1.00 31.55 C ATOM 225 OG1 THR A 17 0.047 -2.846 9.747 1.00 65.33 O ATOM 226 CG2 THR A 17 -2.313 -2.639 9.276 1.00 74.53 C ATOM 0 H THR A 17 1.269 -2.763 7.503 1.00 73.35 H new ATOM 0 HA THR A 17 -0.807 -4.497 7.845 1.00 3.40 H new ATOM 0 HB THR A 17 -0.740 -1.500 8.390 1.00 31.55 H new ATOM 0 HG1 THR A 17 -0.081 -2.245 10.511 1.00 65.33 H new ATOM 0 HG21 THR A 17 -2.426 -1.968 10.128 1.00 74.53 H new ATOM 0 HG22 THR A 17 -3.030 -2.366 8.502 1.00 74.53 H new ATOM 0 HG23 THR A 17 -2.497 -3.665 9.595 1.00 74.53 H new ATOM 234 N LEU A 18 -2.700 -4.100 6.289 1.00 53.23 N ATOM 235 CA LEU A 18 -3.781 -3.933 5.324 1.00 22.43 C ATOM 236 C LEU A 18 -4.745 -2.839 5.770 1.00 62.23 C ATOM 237 O LEU A 18 -5.879 -3.117 6.163 1.00 20.31 O ATOM 238 CB LEU A 18 -4.536 -5.251 5.142 1.00 23.41 C ATOM 239 CG LEU A 18 -5.138 -5.493 3.757 1.00 4.11 C ATOM 240 CD1 LEU A 18 -6.524 -6.108 3.879 1.00 31.22 C ATOM 241 CD2 LEU A 18 -5.197 -4.194 2.966 1.00 65.42 C ATOM 0 H LEU A 18 -2.719 -4.986 6.794 1.00 53.23 H new ATOM 0 HA LEU A 18 -3.342 -3.638 4.371 1.00 22.43 H new ATOM 0 HB2 LEU A 18 -3.855 -6.071 5.369 1.00 23.41 H new ATOM 0 HB3 LEU A 18 -5.339 -5.291 5.878 1.00 23.41 H new ATOM 0 HG LEU A 18 -4.497 -6.193 3.220 1.00 4.11 H new ATOM 0 HD11 LEU A 18 -6.938 -6.273 2.884 1.00 31.22 H new ATOM 0 HD12 LEU A 18 -6.455 -7.060 4.406 1.00 31.22 H new ATOM 0 HD13 LEU A 18 -7.174 -5.432 4.434 1.00 31.22 H new ATOM 0 HD21 LEU A 18 -5.628 -4.386 1.983 1.00 65.42 H new ATOM 0 HD22 LEU A 18 -5.815 -3.471 3.499 1.00 65.42 H new ATOM 0 HD23 LEU A 18 -4.190 -3.793 2.849 1.00 65.42 H new ATOM 252 N LEU A 19 -4.289 -1.593 5.706 1.00 41.52 N ATOM 253 CA LEU A 19 -5.112 -0.456 6.102 1.00 13.44 C ATOM 254 C LEU A 19 -6.405 -0.411 5.294 1.00 21.54 C ATOM 255 O LEU A 19 -6.668 -1.294 4.478 1.00 0.10 O ATOM 256 CB LEU A 19 -4.336 0.849 5.915 1.00 1.54 C ATOM 257 CG LEU A 19 -3.591 1.370 7.146 1.00 21.24 C ATOM 258 CD1 LEU A 19 -2.787 0.253 7.793 1.00 4.53 C ATOM 259 CD2 LEU A 19 -2.686 2.533 6.768 1.00 41.00 C ATOM 0 H LEU A 19 -3.354 -1.345 5.384 1.00 41.52 H new ATOM 0 HA LEU A 19 -5.367 -0.573 7.155 1.00 13.44 H new ATOM 0 HB2 LEU A 19 -3.614 0.707 5.111 1.00 1.54 H new ATOM 0 HB3 LEU A 19 -5.033 1.619 5.584 1.00 1.54 H new ATOM 0 HG LEU A 19 -4.324 1.728 7.869 1.00 21.24 H new ATOM 0 HD11 LEU A 19 -2.263 0.641 8.667 1.00 4.53 H new ATOM 0 HD12 LEU A 19 -3.459 -0.549 8.099 1.00 4.53 H new ATOM 0 HD13 LEU A 19 -2.062 -0.135 7.078 1.00 4.53 H new ATOM 0 HD21 LEU A 19 -2.164 2.891 7.655 1.00 41.00 H new ATOM 0 HD22 LEU A 19 -1.958 2.202 6.028 1.00 41.00 H new ATOM 0 HD23 LEU A 19 -3.287 3.341 6.350 1.00 41.00 H new ATOM 270 N ASN A 20 -7.207 0.623 5.526 1.00 34.51 N ATOM 271 CA ASN A 20 -8.472 0.782 4.819 1.00 1.21 C ATOM 272 C ASN A 20 -8.309 0.468 3.334 1.00 41.20 C ATOM 273 O ASN A 20 -7.712 1.243 2.588 1.00 20.04 O ATOM 274 CB ASN A 20 -9.003 2.206 4.995 1.00 12.55 C ATOM 275 CG ASN A 20 -10.367 2.238 5.657 1.00 35.33 C ATOM 276 OD1 ASN A 20 -11.418 2.238 4.846 1.00 55.03 O flip ATOM 277 ND2 ASN A 20 -10.474 2.262 6.883 1.00 22.13 N flip ATOM 0 H ASN A 20 -7.003 1.363 6.198 1.00 34.51 H new ATOM 0 HA ASN A 20 -9.188 0.079 5.244 1.00 1.21 H new ATOM 0 HB2 ASN A 20 -8.298 2.782 5.594 1.00 12.55 H new ATOM 0 HB3 ASN A 20 -9.064 2.691 4.021 1.00 12.55 H new ATOM 0 HD21 ASN A 20 -9.638 2.261 7.468 1.00 22.13 H new ATOM 0 HD22 ASN A 20 -11.398 2.283 7.314 1.00 22.13 H new ATOM 283 N SER A 21 -8.845 -0.674 2.915 1.00 1.42 N ATOM 284 CA SER A 21 -8.756 -1.092 1.521 1.00 22.30 C ATOM 285 C SER A 21 -10.035 -0.742 0.765 1.00 41.04 C ATOM 286 O SER A 21 -10.220 -1.139 -0.386 1.00 54.24 O ATOM 287 CB SER A 21 -8.495 -2.598 1.434 1.00 42.11 C ATOM 288 OG SER A 21 -9.607 -3.276 0.876 1.00 60.53 O ATOM 0 H SER A 21 -9.345 -1.325 3.520 1.00 1.42 H new ATOM 0 HA SER A 21 -7.925 -0.558 1.060 1.00 22.30 H new ATOM 0 HB2 SER A 21 -7.610 -2.782 0.825 1.00 42.11 H new ATOM 0 HB3 SER A 21 -8.286 -2.992 2.428 1.00 42.11 H new ATOM 0 HG SER A 21 -9.315 -3.801 0.102 1.00 60.53 H new ATOM 293 N THR A 22 -10.916 0.005 1.423 1.00 4.34 N ATOM 294 CA THR A 22 -12.178 0.409 0.816 1.00 24.43 C ATOM 295 C THR A 22 -12.019 0.641 -0.682 1.00 31.13 C ATOM 296 O THR A 22 -12.856 0.216 -1.478 1.00 1.32 O ATOM 297 CB THR A 22 -12.729 1.693 1.466 1.00 71.51 C ATOM 298 OG1 THR A 22 -13.894 2.137 0.762 1.00 64.45 O ATOM 299 CG2 THR A 22 -11.679 2.793 1.465 1.00 20.12 C ATOM 0 H THR A 22 -10.779 0.342 2.376 1.00 4.34 H new ATOM 0 HA THR A 22 -12.883 -0.406 0.982 1.00 24.43 H new ATOM 0 HB THR A 22 -12.994 1.467 2.499 1.00 71.51 H new ATOM 0 HG1 THR A 22 -14.239 2.952 1.182 1.00 64.45 H new ATOM 0 HG21 THR A 22 -12.091 3.689 1.929 1.00 20.12 H new ATOM 0 HG22 THR A 22 -10.805 2.463 2.027 1.00 20.12 H new ATOM 0 HG23 THR A 22 -11.387 3.017 0.439 1.00 20.12 H new ATOM 307 N ASN A 23 -10.938 1.316 -1.061 1.00 21.31 N ATOM 308 CA ASN A 23 -10.669 1.603 -2.465 1.00 65.03 C ATOM 309 C ASN A 23 -10.333 0.326 -3.227 1.00 30.10 C ATOM 310 O ASN A 23 -9.353 -0.354 -2.921 1.00 52.33 O ATOM 311 CB ASN A 23 -9.519 2.604 -2.590 1.00 33.34 C ATOM 312 CG ASN A 23 -10.007 4.016 -2.853 1.00 14.23 C ATOM 313 OD1 ASN A 23 -10.257 4.330 -4.119 1.00 52.35 O flip ATOM 314 ND2 ASN A 23 -10.156 4.815 -1.929 1.00 73.32 N flip ATOM 0 H ASN A 23 -10.234 1.674 -0.415 1.00 21.31 H new ATOM 0 HA ASN A 23 -11.569 2.037 -2.901 1.00 65.03 H new ATOM 0 HB2 ASN A 23 -8.929 2.591 -1.674 1.00 33.34 H new ATOM 0 HB3 ASN A 23 -8.858 2.294 -3.399 1.00 33.34 H new ATOM 0 HD21 ASN A 23 -9.952 4.531 -0.971 1.00 73.32 H new ATOM 0 HD22 ASN A 23 -10.484 5.762 -2.121 1.00 73.32 H new ATOM 320 N LYS A 24 -11.152 0.004 -4.223 1.00 72.31 N ATOM 321 CA LYS A 24 -10.941 -1.192 -5.032 1.00 43.42 C ATOM 322 C LYS A 24 -9.703 -1.042 -5.910 1.00 21.31 C ATOM 323 O LYS A 24 -8.979 -2.009 -6.147 1.00 72.50 O ATOM 324 CB LYS A 24 -12.169 -1.464 -5.903 1.00 14.03 C ATOM 325 CG LYS A 24 -12.926 -2.721 -5.512 1.00 64.31 C ATOM 326 CD LYS A 24 -14.342 -2.716 -6.064 1.00 11.54 C ATOM 327 CE LYS A 24 -14.520 -3.767 -7.149 1.00 10.24 C ATOM 328 NZ LYS A 24 -13.793 -3.405 -8.397 1.00 3.33 N ATOM 0 H LYS A 24 -11.968 0.554 -4.490 1.00 72.31 H new ATOM 0 HA LYS A 24 -10.787 -2.035 -4.359 1.00 43.42 H new ATOM 0 HB2 LYS A 24 -12.844 -0.610 -5.842 1.00 14.03 H new ATOM 0 HB3 LYS A 24 -11.855 -1.548 -6.943 1.00 14.03 H new ATOM 0 HG2 LYS A 24 -12.394 -3.597 -5.882 1.00 64.31 H new ATOM 0 HG3 LYS A 24 -12.959 -2.804 -4.426 1.00 64.31 H new ATOM 0 HD2 LYS A 24 -15.049 -2.902 -5.256 1.00 11.54 H new ATOM 0 HD3 LYS A 24 -14.573 -1.731 -6.469 1.00 11.54 H new ATOM 0 HE2 LYS A 24 -14.160 -4.729 -6.785 1.00 10.24 H new ATOM 0 HE3 LYS A 24 -15.581 -3.886 -7.368 1.00 10.24 H new ATOM 0 HZ1 LYS A 24 -13.939 -4.146 -9.112 1.00 3.33 H new ATOM 0 HZ2 LYS A 24 -14.154 -2.499 -8.759 1.00 3.33 H new ATOM 0 HZ3 LYS A 24 -12.777 -3.316 -8.194 1.00 3.33 H new ATOM 338 N ASP A 25 -9.467 0.173 -6.389 1.00 52.12 N ATOM 339 CA ASP A 25 -8.314 0.449 -7.239 1.00 32.14 C ATOM 340 C ASP A 25 -7.121 0.906 -6.406 1.00 55.40 C ATOM 341 O ASP A 25 -6.045 1.175 -6.941 1.00 42.41 O ATOM 342 CB ASP A 25 -8.664 1.514 -8.280 1.00 41.20 C ATOM 343 CG ASP A 25 -9.906 1.163 -9.074 1.00 65.23 C ATOM 344 OD1 ASP A 25 -9.924 0.082 -9.701 1.00 54.13 O ATOM 345 OD2 ASP A 25 -10.861 1.967 -9.068 1.00 24.43 O ATOM 0 H ASP A 25 -10.058 0.983 -6.204 1.00 52.12 H new ATOM 0 HA ASP A 25 -8.043 -0.474 -7.752 1.00 32.14 H new ATOM 0 HB2 ASP A 25 -8.815 2.471 -7.780 1.00 41.20 H new ATOM 0 HB3 ASP A 25 -7.824 1.640 -8.963 1.00 41.20 H new ATOM 349 N TRP A 26 -7.319 0.992 -5.096 1.00 72.41 N ATOM 350 CA TRP A 26 -6.259 1.417 -4.189 1.00 50.02 C ATOM 351 C TRP A 26 -6.462 0.825 -2.799 1.00 75.21 C ATOM 352 O TRP A 26 -7.515 1.002 -2.187 1.00 60.13 O ATOM 353 CB TRP A 26 -6.214 2.944 -4.105 1.00 20.10 C ATOM 354 CG TRP A 26 -5.792 3.597 -5.386 1.00 40.33 C ATOM 355 CD1 TRP A 26 -6.559 3.790 -6.499 1.00 43.32 C ATOM 356 CD2 TRP A 26 -4.503 4.141 -5.686 1.00 54.52 C ATOM 357 NE1 TRP A 26 -5.824 4.422 -7.473 1.00 33.51 N ATOM 358 CE2 TRP A 26 -4.559 4.649 -6.999 1.00 63.41 C ATOM 359 CE3 TRP A 26 -3.306 4.252 -4.972 1.00 32.03 C ATOM 360 CZ2 TRP A 26 -3.466 5.255 -7.610 1.00 52.11 C ATOM 361 CZ3 TRP A 26 -2.220 4.853 -5.581 1.00 23.13 C ATOM 362 CH2 TRP A 26 -2.307 5.349 -6.889 1.00 52.20 C ATOM 0 H TRP A 26 -8.204 0.773 -4.638 1.00 72.41 H new ATOM 0 HA TRP A 26 -5.310 1.053 -4.583 1.00 50.02 H new ATOM 0 HB2 TRP A 26 -7.200 3.314 -3.824 1.00 20.10 H new ATOM 0 HB3 TRP A 26 -5.526 3.237 -3.312 1.00 20.10 H new ATOM 0 HD1 TRP A 26 -7.592 3.490 -6.599 1.00 43.32 H new ATOM 0 HE1 TRP A 26 -6.165 4.680 -8.399 1.00 33.51 H new ATOM 0 HE3 TRP A 26 -3.231 3.875 -3.963 1.00 32.03 H new ATOM 0 HZ2 TRP A 26 -3.530 5.638 -8.618 1.00 52.11 H new ATOM 0 HZ3 TRP A 26 -1.289 4.942 -5.040 1.00 23.13 H new ATOM 0 HH2 TRP A 26 -1.442 5.815 -7.337 1.00 52.20 H new ATOM 372 N TRP A 27 -5.448 0.122 -2.307 1.00 71.10 N ATOM 373 CA TRP A 27 -5.517 -0.497 -0.988 1.00 72.24 C ATOM 374 C TRP A 27 -4.594 0.215 -0.005 1.00 70.44 C ATOM 375 O TRP A 27 -3.371 0.096 -0.087 1.00 34.44 O ATOM 376 CB TRP A 27 -5.143 -1.978 -1.077 1.00 65.14 C ATOM 377 CG TRP A 27 -6.331 -2.884 -1.199 1.00 42.10 C ATOM 378 CD1 TRP A 27 -7.608 -2.521 -1.519 1.00 0.00 C ATOM 379 CD2 TRP A 27 -6.350 -4.302 -1.003 1.00 65.23 C ATOM 380 NE1 TRP A 27 -8.421 -3.629 -1.533 1.00 60.14 N ATOM 381 CE2 TRP A 27 -7.674 -4.734 -1.221 1.00 54.32 C ATOM 382 CE3 TRP A 27 -5.380 -5.249 -0.666 1.00 11.22 C ATOM 383 CZ2 TRP A 27 -8.048 -6.070 -1.111 1.00 72.34 C ATOM 384 CZ3 TRP A 27 -5.753 -6.575 -0.558 1.00 34.30 C ATOM 385 CH2 TRP A 27 -7.077 -6.976 -0.780 1.00 35.00 C ATOM 0 H TRP A 27 -4.569 -0.034 -2.801 1.00 71.10 H new ATOM 0 HA TRP A 27 -6.541 -0.410 -0.625 1.00 72.24 H new ATOM 0 HB2 TRP A 27 -4.490 -2.129 -1.936 1.00 65.14 H new ATOM 0 HB3 TRP A 27 -4.573 -2.255 -0.190 1.00 65.14 H new ATOM 0 HD1 TRP A 27 -7.931 -1.512 -1.730 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.419 -3.629 -1.742 1.00 60.14 H new ATOM 0 HE3 TRP A 27 -4.357 -4.950 -0.493 1.00 11.22 H new ATOM 0 HZ2 TRP A 27 -9.068 -6.381 -1.281 1.00 72.34 H new ATOM 0 HZ3 TRP A 27 -5.011 -7.315 -0.298 1.00 34.30 H new ATOM 0 HH2 TRP A 27 -7.336 -8.020 -0.688 1.00 35.00 H new ATOM 395 N LYS A 28 -5.187 0.956 0.926 1.00 34.43 N ATOM 396 CA LYS A 28 -4.418 1.686 1.927 1.00 63.42 C ATOM 397 C LYS A 28 -3.591 0.730 2.781 1.00 12.30 C ATOM 398 O LYS A 28 -4.095 -0.284 3.261 1.00 62.43 O ATOM 399 CB LYS A 28 -5.353 2.504 2.820 1.00 2.34 C ATOM 400 CG LYS A 28 -4.703 3.747 3.404 1.00 52.21 C ATOM 401 CD LYS A 28 -5.417 4.211 4.662 1.00 44.00 C ATOM 402 CE LYS A 28 -5.127 5.673 4.961 1.00 55.41 C ATOM 403 NZ LYS A 28 -6.045 6.221 5.997 1.00 1.12 N ATOM 0 H LYS A 28 -6.198 1.067 1.008 1.00 34.43 H new ATOM 0 HA LYS A 28 -3.739 2.361 1.406 1.00 63.42 H new ATOM 0 HB2 LYS A 28 -6.228 2.800 2.241 1.00 2.34 H new ATOM 0 HB3 LYS A 28 -5.708 1.873 3.635 1.00 2.34 H new ATOM 0 HG2 LYS A 28 -3.658 3.538 3.634 1.00 52.21 H new ATOM 0 HG3 LYS A 28 -4.713 4.546 2.663 1.00 52.21 H new ATOM 0 HD2 LYS A 28 -6.491 4.069 4.545 1.00 44.00 H new ATOM 0 HD3 LYS A 28 -5.104 3.597 5.507 1.00 44.00 H new ATOM 0 HE2 LYS A 28 -4.096 5.777 5.298 1.00 55.41 H new ATOM 0 HE3 LYS A 28 -5.223 6.257 4.045 1.00 55.41 H new ATOM 0 HZ1 LYS A 28 -5.814 7.220 6.172 1.00 1.12 H new ATOM 0 HZ2 LYS A 28 -7.028 6.146 5.665 1.00 1.12 H new ATOM 0 HZ3 LYS A 28 -5.935 5.681 6.879 1.00 1.12 H new ATOM 413 N VAL A 29 -2.317 1.063 2.968 1.00 3.54 N ATOM 414 CA VAL A 29 -1.420 0.237 3.766 1.00 61.05 C ATOM 415 C VAL A 29 -0.408 1.093 4.519 1.00 61.33 C ATOM 416 O VAL A 29 0.122 2.062 3.979 1.00 43.51 O ATOM 417 CB VAL A 29 -0.665 -0.780 2.890 1.00 64.43 C ATOM 418 CG1 VAL A 29 -1.642 -1.714 2.193 1.00 60.42 C ATOM 419 CG2 VAL A 29 0.213 -0.061 1.878 1.00 33.42 C ATOM 0 H VAL A 29 -1.884 1.900 2.577 1.00 3.54 H new ATOM 0 HA VAL A 29 -2.040 -0.302 4.483 1.00 61.05 H new ATOM 0 HB VAL A 29 -0.022 -1.381 3.533 1.00 64.43 H new ATOM 0 HG11 VAL A 29 -1.090 -2.425 1.579 1.00 60.42 H new ATOM 0 HG12 VAL A 29 -2.224 -2.254 2.939 1.00 60.42 H new ATOM 0 HG13 VAL A 29 -2.313 -1.133 1.561 1.00 60.42 H new ATOM 0 HG21 VAL A 29 0.739 -0.794 1.267 1.00 33.42 H new ATOM 0 HG22 VAL A 29 -0.408 0.566 1.238 1.00 33.42 H new ATOM 0 HG23 VAL A 29 0.938 0.562 2.403 1.00 33.42 H new ATOM 429 N GLU A 30 -0.145 0.727 5.770 1.00 74.14 N ATOM 430 CA GLU A 30 0.804 1.462 6.598 1.00 13.15 C ATOM 431 C GLU A 30 2.157 0.757 6.632 1.00 24.44 C ATOM 432 O GLU A 30 2.236 -0.465 6.505 1.00 32.34 O ATOM 433 CB GLU A 30 0.262 1.617 8.020 1.00 5.12 C ATOM 434 CG GLU A 30 1.217 2.332 8.960 1.00 64.33 C ATOM 435 CD GLU A 30 2.037 1.371 9.799 1.00 63.03 C ATOM 436 OE1 GLU A 30 2.265 0.231 9.344 1.00 71.22 O ATOM 437 OE2 GLU A 30 2.450 1.759 10.912 1.00 14.12 O ATOM 0 H GLU A 30 -0.576 -0.074 6.232 1.00 74.14 H new ATOM 0 HA GLU A 30 0.939 2.450 6.159 1.00 13.15 H new ATOM 0 HB2 GLU A 30 -0.678 2.167 7.984 1.00 5.12 H new ATOM 0 HB3 GLU A 30 0.038 0.630 8.424 1.00 5.12 H new ATOM 0 HG2 GLU A 30 1.888 2.965 8.379 1.00 64.33 H new ATOM 0 HG3 GLU A 30 0.649 2.990 9.618 1.00 64.33 H new ATOM 442 N VAL A 31 3.220 1.536 6.803 1.00 63.21 N ATOM 443 CA VAL A 31 4.570 0.987 6.854 1.00 63.12 C ATOM 444 C VAL A 31 5.123 1.020 8.275 1.00 5.55 C ATOM 445 O VAL A 31 4.946 0.077 9.043 1.00 72.54 O ATOM 446 CB VAL A 31 5.525 1.759 5.925 1.00 51.32 C ATOM 447 CG1 VAL A 31 5.759 0.985 4.637 1.00 72.20 C ATOM 448 CG2 VAL A 31 4.975 3.146 5.630 1.00 40.51 C ATOM 0 H VAL A 31 3.173 2.549 6.909 1.00 63.21 H new ATOM 0 HA VAL A 31 4.504 -0.047 6.517 1.00 63.12 H new ATOM 0 HB VAL A 31 6.483 1.873 6.432 1.00 51.32 H new ATOM 0 HG11 VAL A 31 6.436 1.546 3.993 1.00 72.20 H new ATOM 0 HG12 VAL A 31 6.200 0.016 4.870 1.00 72.20 H new ATOM 0 HG13 VAL A 31 4.809 0.838 4.123 1.00 72.20 H new ATOM 0 HG21 VAL A 31 5.662 3.678 4.972 1.00 40.51 H new ATOM 0 HG22 VAL A 31 4.004 3.056 5.144 1.00 40.51 H new ATOM 0 HG23 VAL A 31 4.864 3.699 6.563 1.00 40.51 H new ATOM 458 N ASN A 32 5.793 2.117 8.618 1.00 75.50 N ATOM 459 CA ASN A 32 6.373 2.273 9.947 1.00 3.55 C ATOM 460 C ASN A 32 5.729 3.442 10.686 1.00 63.14 C ATOM 461 O ASN A 32 5.830 3.548 11.909 1.00 15.25 O ATOM 462 CB ASN A 32 7.884 2.490 9.844 1.00 23.22 C ATOM 463 CG ASN A 32 8.558 1.456 8.964 1.00 31.21 C ATOM 464 OD1 ASN A 32 7.907 0.311 8.791 1.00 54.52 O flip ATOM 465 ND2 ASN A 32 9.651 1.682 8.446 1.00 2.34 N flip ATOM 0 H ASN A 32 5.947 2.909 7.994 1.00 75.50 H new ATOM 0 HA ASN A 32 6.182 1.360 10.510 1.00 3.55 H new ATOM 0 HB2 ASN A 32 8.079 3.485 9.445 1.00 23.22 H new ATOM 0 HB3 ASN A 32 8.322 2.455 10.841 1.00 23.22 H new ATOM 0 HD21 ASN A 32 10.116 2.576 8.606 1.00 2.34 H new ATOM 0 HD22 ASN A 32 10.092 0.976 7.857 1.00 2.34 H new ATOM 471 N ASP A 33 5.067 4.316 9.937 1.00 41.32 N ATOM 472 CA ASP A 33 4.405 5.477 10.520 1.00 44.25 C ATOM 473 C ASP A 33 3.595 6.228 9.468 1.00 62.00 C ATOM 474 O ASP A 33 2.558 6.818 9.772 1.00 73.55 O ATOM 475 CB ASP A 33 5.435 6.414 11.154 1.00 21.34 C ATOM 476 CG ASP A 33 5.066 6.806 12.571 1.00 3.42 C ATOM 477 OD1 ASP A 33 4.281 6.072 13.205 1.00 61.22 O ATOM 478 OD2 ASP A 33 5.562 7.850 13.046 1.00 72.51 O ATOM 0 H ASP A 33 4.974 4.243 8.924 1.00 41.32 H new ATOM 0 HA ASP A 33 3.722 5.124 11.293 1.00 44.25 H new ATOM 0 HB2 ASP A 33 6.411 5.928 11.157 1.00 21.34 H new ATOM 0 HB3 ASP A 33 5.528 7.313 10.544 1.00 21.34 H new ATOM 482 N ARG A 34 4.077 6.203 8.230 1.00 20.04 N ATOM 483 CA ARG A 34 3.400 6.884 7.133 1.00 20.32 C ATOM 484 C ARG A 34 2.458 5.931 6.401 1.00 3.41 C ATOM 485 O ARG A 34 2.886 4.903 5.876 1.00 44.03 O ATOM 486 CB ARG A 34 4.423 7.459 6.152 1.00 4.52 C ATOM 487 CG ARG A 34 5.706 7.931 6.817 1.00 64.45 C ATOM 488 CD ARG A 34 6.851 8.017 5.820 1.00 43.52 C ATOM 489 NE ARG A 34 8.115 8.363 6.467 1.00 65.11 N ATOM 490 CZ ARG A 34 8.818 7.514 7.209 1.00 24.15 C ATOM 491 NH1 ARG A 34 8.383 6.276 7.396 1.00 33.34 N ATOM 492 NH2 ARG A 34 9.958 7.904 7.764 1.00 24.11 N ATOM 0 H ARG A 34 4.934 5.719 7.961 1.00 20.04 H new ATOM 0 HA ARG A 34 2.811 7.700 7.553 1.00 20.32 H new ATOM 0 HB2 ARG A 34 4.667 6.700 5.408 1.00 4.52 H new ATOM 0 HB3 ARG A 34 3.972 8.295 5.618 1.00 4.52 H new ATOM 0 HG2 ARG A 34 5.543 8.908 7.271 1.00 64.45 H new ATOM 0 HG3 ARG A 34 5.973 7.246 7.622 1.00 64.45 H new ATOM 0 HD2 ARG A 34 6.956 7.062 5.306 1.00 43.52 H new ATOM 0 HD3 ARG A 34 6.616 8.763 5.061 1.00 43.52 H new ATOM 0 HE ARG A 34 8.477 9.308 6.342 1.00 65.11 H new ATOM 0 HH11 ARG A 34 7.507 5.973 6.970 1.00 33.34 H new ATOM 0 HH12 ARG A 34 8.924 5.626 7.966 1.00 33.34 H new ATOM 0 HH21 ARG A 34 10.295 8.856 7.621 1.00 24.11 H new ATOM 0 HH22 ARG A 34 10.497 7.252 8.334 1.00 24.11 H new ATOM 503 N GLN A 35 1.177 6.281 6.372 1.00 65.03 N ATOM 504 CA GLN A 35 0.175 5.456 5.706 1.00 15.12 C ATOM 505 C GLN A 35 -0.553 6.250 4.626 1.00 33.00 C ATOM 506 O GLN A 35 -0.851 7.430 4.804 1.00 34.22 O ATOM 507 CB GLN A 35 -0.831 4.917 6.725 1.00 33.42 C ATOM 508 CG GLN A 35 -0.931 5.759 7.986 1.00 2.11 C ATOM 509 CD GLN A 35 -2.054 5.308 8.900 1.00 53.32 C ATOM 510 OE1 GLN A 35 -3.227 5.581 8.644 1.00 51.13 O ATOM 511 NE2 GLN A 35 -1.698 4.614 9.975 1.00 43.11 N ATOM 0 H GLN A 35 0.808 7.129 6.801 1.00 65.03 H new ATOM 0 HA GLN A 35 0.687 4.618 5.233 1.00 15.12 H new ATOM 0 HB2 GLN A 35 -1.814 4.860 6.257 1.00 33.42 H new ATOM 0 HB3 GLN A 35 -0.549 3.900 6.999 1.00 33.42 H new ATOM 0 HG2 GLN A 35 0.014 5.711 8.527 1.00 2.11 H new ATOM 0 HG3 GLN A 35 -1.088 6.802 7.711 1.00 2.11 H new ATOM 0 HE21 GLN A 35 -0.714 4.411 10.148 1.00 43.11 H new ATOM 0 HE22 GLN A 35 -2.409 4.284 10.628 1.00 43.11 H new ATOM 518 N GLY A 36 -0.837 5.593 3.506 1.00 31.15 N ATOM 519 CA GLY A 36 -1.527 6.253 2.413 1.00 70.41 C ATOM 520 C GLY A 36 -2.200 5.271 1.474 1.00 41.14 C ATOM 521 O GLY A 36 -2.191 4.064 1.717 1.00 62.42 O ATOM 0 H GLY A 36 -0.602 4.615 3.336 1.00 31.15 H new ATOM 0 HA2 GLY A 36 -2.275 6.934 2.818 1.00 70.41 H new ATOM 0 HA3 GLY A 36 -0.816 6.859 1.851 1.00 70.41 H new ATOM 525 N PHE A 37 -2.785 5.788 0.400 1.00 32.34 N ATOM 526 CA PHE A 37 -3.468 4.949 -0.578 1.00 42.05 C ATOM 527 C PHE A 37 -2.502 4.481 -1.662 1.00 3.23 C ATOM 528 O PHE A 37 -1.851 5.292 -2.321 1.00 22.01 O ATOM 529 CB PHE A 37 -4.635 5.711 -1.211 1.00 54.31 C ATOM 530 CG PHE A 37 -5.787 5.929 -0.274 1.00 64.21 C ATOM 531 CD1 PHE A 37 -6.718 4.925 -0.055 1.00 2.43 C ATOM 532 CD2 PHE A 37 -5.940 7.136 0.389 1.00 24.23 C ATOM 533 CE1 PHE A 37 -7.780 5.124 0.807 1.00 22.33 C ATOM 534 CE2 PHE A 37 -7.001 7.340 1.251 1.00 42.34 C ATOM 535 CZ PHE A 37 -7.922 6.332 1.462 1.00 31.04 C ATOM 0 H PHE A 37 -2.800 6.785 0.184 1.00 32.34 H new ATOM 0 HA PHE A 37 -3.856 4.072 -0.059 1.00 42.05 H new ATOM 0 HB2 PHE A 37 -4.278 6.678 -1.566 1.00 54.31 H new ATOM 0 HB3 PHE A 37 -4.986 5.161 -2.084 1.00 54.31 H new ATOM 0 HD1 PHE A 37 -6.612 3.978 -0.563 1.00 2.43 H new ATOM 0 HD2 PHE A 37 -5.222 7.927 0.230 1.00 24.23 H new ATOM 0 HE1 PHE A 37 -8.499 4.335 0.969 1.00 22.33 H new ATOM 0 HE2 PHE A 37 -7.110 8.287 1.759 1.00 42.34 H new ATOM 0 HZ PHE A 37 -8.751 6.488 2.137 1.00 31.04 H new ATOM 544 N VAL A 38 -2.416 3.167 -1.843 1.00 72.11 N ATOM 545 CA VAL A 38 -1.531 2.590 -2.847 1.00 11.43 C ATOM 546 C VAL A 38 -2.291 1.646 -3.773 1.00 55.51 C ATOM 547 O VAL A 38 -3.351 1.122 -3.430 1.00 23.25 O ATOM 548 CB VAL A 38 -0.365 1.824 -2.195 1.00 73.55 C ATOM 549 CG1 VAL A 38 0.761 2.777 -1.826 1.00 14.31 C ATOM 550 CG2 VAL A 38 -0.849 1.058 -0.972 1.00 32.25 C ATOM 0 H VAL A 38 -2.949 2.482 -1.307 1.00 72.11 H new ATOM 0 HA VAL A 38 -1.130 3.420 -3.429 1.00 11.43 H new ATOM 0 HB VAL A 38 0.023 1.105 -2.916 1.00 73.55 H new ATOM 0 HG11 VAL A 38 1.576 2.217 -1.367 1.00 14.31 H new ATOM 0 HG12 VAL A 38 1.125 3.276 -2.724 1.00 14.31 H new ATOM 0 HG13 VAL A 38 0.391 3.522 -1.122 1.00 14.31 H new ATOM 0 HG21 VAL A 38 -0.012 0.522 -0.524 1.00 32.25 H new ATOM 0 HG22 VAL A 38 -1.264 1.757 -0.246 1.00 32.25 H new ATOM 0 HG23 VAL A 38 -1.618 0.345 -1.270 1.00 32.25 H new ATOM 560 N PRO A 39 -1.738 1.422 -4.974 1.00 14.34 N ATOM 561 CA PRO A 39 -2.347 0.540 -5.974 1.00 75.24 C ATOM 562 C PRO A 39 -2.286 -0.929 -5.564 1.00 5.33 C ATOM 563 O PRO A 39 -1.206 -1.494 -5.403 1.00 40.13 O ATOM 564 CB PRO A 39 -1.496 0.780 -7.224 1.00 43.50 C ATOM 565 CG PRO A 39 -0.179 1.240 -6.703 1.00 34.30 C ATOM 566 CD PRO A 39 -0.476 2.013 -5.449 1.00 10.51 C ATOM 0 HA PRO A 39 -3.407 0.754 -6.115 1.00 75.24 H new ATOM 0 HB2 PRO A 39 -1.392 -0.131 -7.813 1.00 43.50 H new ATOM 0 HB3 PRO A 39 -1.949 1.530 -7.873 1.00 43.50 H new ATOM 0 HG2 PRO A 39 0.475 0.393 -6.494 1.00 34.30 H new ATOM 0 HG3 PRO A 39 0.333 1.865 -7.434 1.00 34.30 H new ATOM 0 HD2 PRO A 39 0.320 1.905 -4.713 1.00 10.51 H new ATOM 0 HD3 PRO A 39 -0.582 3.079 -5.650 1.00 10.51 H new ATOM 571 N ALA A 40 -3.456 -1.539 -5.397 1.00 14.32 N ATOM 572 CA ALA A 40 -3.535 -2.941 -5.009 1.00 20.41 C ATOM 573 C ALA A 40 -2.709 -3.819 -5.943 1.00 10.41 C ATOM 574 O ALA A 40 -2.379 -4.956 -5.612 1.00 71.52 O ATOM 575 CB ALA A 40 -4.985 -3.403 -4.994 1.00 43.33 C ATOM 0 H ALA A 40 -4.360 -1.084 -5.524 1.00 14.32 H new ATOM 0 HA ALA A 40 -3.123 -3.037 -4.005 1.00 20.41 H new ATOM 0 HB1 ALA A 40 -5.030 -4.452 -4.702 1.00 43.33 H new ATOM 0 HB2 ALA A 40 -5.550 -2.804 -4.280 1.00 43.33 H new ATOM 0 HB3 ALA A 40 -5.415 -3.284 -5.989 1.00 43.33 H new ATOM 581 N ALA A 41 -2.377 -3.281 -7.112 1.00 2.31 N ATOM 582 CA ALA A 41 -1.588 -4.014 -8.095 1.00 43.15 C ATOM 583 C ALA A 41 -0.153 -4.204 -7.613 1.00 30.41 C ATOM 584 O ALA A 41 0.515 -5.167 -7.991 1.00 71.43 O ATOM 585 CB ALA A 41 -1.607 -3.291 -9.432 1.00 14.13 C ATOM 0 H ALA A 41 -2.642 -2.340 -7.402 1.00 2.31 H new ATOM 0 HA ALA A 41 -2.035 -5.000 -8.223 1.00 43.15 H new ATOM 0 HB1 ALA A 41 -1.014 -3.850 -10.156 1.00 14.13 H new ATOM 0 HB2 ALA A 41 -2.634 -3.212 -9.788 1.00 14.13 H new ATOM 0 HB3 ALA A 41 -1.187 -2.293 -9.312 1.00 14.13 H new ATOM 591 N TYR A 42 0.314 -3.282 -6.780 1.00 40.34 N ATOM 592 CA TYR A 42 1.670 -3.347 -6.250 1.00 71.05 C ATOM 593 C TYR A 42 1.707 -4.129 -4.939 1.00 23.14 C ATOM 594 O TYR A 42 2.778 -4.451 -4.425 1.00 64.44 O ATOM 595 CB TYR A 42 2.224 -1.939 -6.032 1.00 41.33 C ATOM 596 CG TYR A 42 2.546 -1.209 -7.316 1.00 1.12 C ATOM 597 CD1 TYR A 42 1.609 -1.117 -8.339 1.00 71.12 C ATOM 598 CD2 TYR A 42 3.785 -0.612 -7.508 1.00 43.34 C ATOM 599 CE1 TYR A 42 1.898 -0.452 -9.515 1.00 74.32 C ATOM 600 CE2 TYR A 42 4.083 0.056 -8.680 1.00 44.33 C ATOM 601 CZ TYR A 42 3.136 0.134 -9.680 1.00 32.20 C ATOM 602 OH TYR A 42 3.430 0.797 -10.850 1.00 44.53 O ATOM 0 H TYR A 42 -0.227 -2.480 -6.457 1.00 40.34 H new ATOM 0 HA TYR A 42 2.292 -3.866 -6.979 1.00 71.05 H new ATOM 0 HB2 TYR A 42 1.498 -1.356 -5.465 1.00 41.33 H new ATOM 0 HB3 TYR A 42 3.127 -2.003 -5.424 1.00 41.33 H new ATOM 0 HD1 TYR A 42 0.638 -1.573 -8.212 1.00 71.12 H new ATOM 0 HD2 TYR A 42 4.529 -0.671 -6.727 1.00 43.34 H new ATOM 0 HE1 TYR A 42 1.159 -0.391 -10.300 1.00 74.32 H new ATOM 0 HE2 TYR A 42 5.052 0.515 -8.813 1.00 44.33 H new ATOM 0 HH TYR A 42 4.342 1.152 -10.804 1.00 44.53 H new ATOM 611 N VAL A 43 0.528 -4.430 -4.405 1.00 22.21 N ATOM 612 CA VAL A 43 0.422 -5.174 -3.156 1.00 64.34 C ATOM 613 C VAL A 43 -0.518 -6.366 -3.304 1.00 52.02 C ATOM 614 O VAL A 43 -1.103 -6.581 -4.365 1.00 24.12 O ATOM 615 CB VAL A 43 -0.081 -4.278 -2.008 1.00 32.22 C ATOM 616 CG1 VAL A 43 1.057 -3.435 -1.452 1.00 0.13 C ATOM 617 CG2 VAL A 43 -1.225 -3.397 -2.484 1.00 25.35 C ATOM 0 H VAL A 43 -0.368 -4.170 -4.818 1.00 22.21 H new ATOM 0 HA VAL A 43 1.423 -5.531 -2.916 1.00 64.34 H new ATOM 0 HB VAL A 43 -0.453 -4.916 -1.207 1.00 32.22 H new ATOM 0 HG11 VAL A 43 0.684 -2.808 -0.642 1.00 0.13 H new ATOM 0 HG12 VAL A 43 1.842 -4.089 -1.072 1.00 0.13 H new ATOM 0 HG13 VAL A 43 1.462 -2.803 -2.243 1.00 0.13 H new ATOM 0 HG21 VAL A 43 -1.569 -2.770 -1.661 1.00 25.35 H new ATOM 0 HG22 VAL A 43 -0.881 -2.765 -3.302 1.00 25.35 H new ATOM 0 HG23 VAL A 43 -2.047 -4.024 -2.831 1.00 25.35 H new ATOM 627 N LYS A 44 -0.657 -7.139 -2.232 1.00 4.33 N ATOM 628 CA LYS A 44 -1.527 -8.309 -2.241 1.00 63.11 C ATOM 629 C LYS A 44 -1.593 -8.947 -0.857 1.00 34.32 C ATOM 630 O LYS A 44 -0.568 -9.149 -0.206 1.00 43.51 O ATOM 631 CB LYS A 44 -1.031 -9.332 -3.263 1.00 14.14 C ATOM 632 CG LYS A 44 -2.015 -10.459 -3.524 1.00 74.43 C ATOM 633 CD LYS A 44 -1.409 -11.535 -4.410 1.00 61.24 C ATOM 634 CE LYS A 44 -0.059 -11.995 -3.882 1.00 35.44 C ATOM 635 NZ LYS A 44 0.138 -13.460 -4.064 1.00 51.10 N ATOM 0 H LYS A 44 -0.178 -6.976 -1.346 1.00 4.33 H new ATOM 0 HA LYS A 44 -2.529 -7.984 -2.521 1.00 63.11 H new ATOM 0 HB2 LYS A 44 -0.820 -8.821 -4.202 1.00 14.14 H new ATOM 0 HB3 LYS A 44 -0.090 -9.757 -2.912 1.00 14.14 H new ATOM 0 HG2 LYS A 44 -2.325 -10.899 -2.576 1.00 74.43 H new ATOM 0 HG3 LYS A 44 -2.911 -10.058 -3.998 1.00 74.43 H new ATOM 0 HD2 LYS A 44 -2.088 -12.386 -4.467 1.00 61.24 H new ATOM 0 HD3 LYS A 44 -1.293 -11.151 -5.423 1.00 61.24 H new ATOM 0 HE2 LYS A 44 0.736 -11.455 -4.397 1.00 35.44 H new ATOM 0 HE3 LYS A 44 0.021 -11.747 -2.824 1.00 35.44 H new ATOM 0 HZ1 LYS A 44 1.070 -13.734 -3.692 1.00 51.10 H new ATOM 0 HZ2 LYS A 44 -0.605 -13.977 -3.552 1.00 51.10 H new ATOM 0 HZ3 LYS A 44 0.087 -13.694 -5.076 1.00 51.10 H new ATOM 645 N LYS A 45 -2.805 -9.267 -0.415 1.00 55.04 N ATOM 646 CA LYS A 45 -3.004 -9.886 0.890 1.00 61.23 C ATOM 647 C LYS A 45 -2.161 -11.150 1.028 1.00 34.33 C ATOM 648 O LYS A 45 -1.808 -11.784 0.032 1.00 22.40 O ATOM 649 CB LYS A 45 -4.483 -10.222 1.098 1.00 53.42 C ATOM 650 CG LYS A 45 -5.184 -9.298 2.079 1.00 32.02 C ATOM 651 CD LYS A 45 -6.425 -9.949 2.667 1.00 2.43 C ATOM 652 CE LYS A 45 -7.689 -9.478 1.962 1.00 51.40 C ATOM 653 NZ LYS A 45 -8.810 -9.266 2.918 1.00 23.22 N ATOM 0 H LYS A 45 -3.664 -9.108 -0.942 1.00 55.04 H new ATOM 0 HA LYS A 45 -2.688 -9.175 1.653 1.00 61.23 H new ATOM 0 HB2 LYS A 45 -4.996 -10.175 0.138 1.00 53.42 H new ATOM 0 HB3 LYS A 45 -4.567 -11.248 1.455 1.00 53.42 H new ATOM 0 HG2 LYS A 45 -4.497 -9.030 2.882 1.00 32.02 H new ATOM 0 HG3 LYS A 45 -5.462 -8.373 1.574 1.00 32.02 H new ATOM 0 HD2 LYS A 45 -6.343 -11.033 2.584 1.00 2.43 H new ATOM 0 HD3 LYS A 45 -6.491 -9.715 3.730 1.00 2.43 H new ATOM 0 HE2 LYS A 45 -7.484 -8.549 1.431 1.00 51.40 H new ATOM 0 HE3 LYS A 45 -7.984 -10.214 1.214 1.00 51.40 H new ATOM 0 HZ1 LYS A 45 -9.653 -8.946 2.399 1.00 23.22 H new ATOM 0 HZ2 LYS A 45 -9.023 -10.159 3.407 1.00 23.22 H new ATOM 0 HZ3 LYS A 45 -8.539 -8.545 3.617 1.00 23.22 H new ATOM 663 N LEU A 46 -1.842 -11.512 2.266 1.00 3.24 N ATOM 664 CA LEU A 46 -1.042 -12.701 2.533 1.00 40.12 C ATOM 665 C LEU A 46 -1.817 -13.698 3.388 1.00 53.42 C ATOM 666 O LEU A 46 -2.898 -13.391 3.890 1.00 62.04 O ATOM 667 CB LEU A 46 0.262 -12.316 3.235 1.00 32.14 C ATOM 668 CG LEU A 46 1.155 -11.320 2.491 1.00 44.24 C ATOM 669 CD1 LEU A 46 2.276 -10.832 3.396 1.00 20.22 C ATOM 670 CD2 LEU A 46 1.721 -11.951 1.228 1.00 43.21 C ATOM 0 H LEU A 46 -2.126 -10.999 3.101 1.00 3.24 H new ATOM 0 HA LEU A 46 -0.808 -13.173 1.579 1.00 40.12 H new ATOM 0 HB2 LEU A 46 0.016 -11.895 4.210 1.00 32.14 H new ATOM 0 HB3 LEU A 46 0.836 -13.225 3.415 1.00 32.14 H new ATOM 0 HG LEU A 46 0.549 -10.461 2.202 1.00 44.24 H new ATOM 0 HD11 LEU A 46 2.901 -10.125 2.851 1.00 20.22 H new ATOM 0 HD12 LEU A 46 1.850 -10.341 4.271 1.00 20.22 H new ATOM 0 HD13 LEU A 46 2.881 -11.680 3.715 1.00 20.22 H new ATOM 0 HD21 LEU A 46 2.353 -11.228 0.712 1.00 43.21 H new ATOM 0 HD22 LEU A 46 2.313 -12.827 1.493 1.00 43.21 H new ATOM 0 HD23 LEU A 46 0.903 -12.250 0.573 1.00 43.21 H new ATOM 681 N ASP A 47 -1.256 -14.892 3.551 1.00 40.53 N ATOM 682 CA ASP A 47 -1.893 -15.933 4.349 1.00 21.13 C ATOM 683 C ASP A 47 -1.011 -16.330 5.529 1.00 11.31 C ATOM 684 O ASP A 47 -0.054 -17.087 5.372 1.00 54.04 O ATOM 685 CB ASP A 47 -2.190 -17.158 3.483 1.00 70.51 C ATOM 686 CG ASP A 47 -2.334 -18.426 4.303 1.00 2.22 C ATOM 687 OD1 ASP A 47 -3.338 -18.548 5.035 1.00 53.52 O ATOM 688 OD2 ASP A 47 -1.441 -19.295 4.213 1.00 2.31 O ATOM 0 H ASP A 47 -0.362 -15.162 3.141 1.00 40.53 H new ATOM 0 HA ASP A 47 -2.831 -15.536 4.738 1.00 21.13 H new ATOM 0 HB2 ASP A 47 -3.107 -16.987 2.919 1.00 70.51 H new ATOM 0 HB3 ASP A 47 -1.389 -17.288 2.756 1.00 70.51 H new ATOM 692 N SER A 48 -1.339 -15.813 6.708 1.00 22.03 N ATOM 693 CA SER A 48 -0.575 -16.109 7.913 1.00 14.22 C ATOM 694 C SER A 48 -1.340 -17.065 8.822 1.00 21.33 C ATOM 695 O SER A 48 -1.037 -17.191 10.007 1.00 43.13 O ATOM 696 CB SER A 48 -0.251 -14.818 8.669 1.00 23.13 C ATOM 697 OG SER A 48 0.625 -15.067 9.753 1.00 73.24 O ATOM 0 H SER A 48 -2.130 -15.186 6.854 1.00 22.03 H new ATOM 0 HA SER A 48 0.356 -16.589 7.612 1.00 14.22 H new ATOM 0 HB2 SER A 48 0.204 -14.099 7.988 1.00 23.13 H new ATOM 0 HB3 SER A 48 -1.173 -14.368 9.038 1.00 23.13 H new ATOM 0 HG SER A 48 0.360 -15.895 10.204 1.00 73.24 H new ATOM 702 N GLY A 49 -2.338 -17.739 8.255 1.00 74.43 N ATOM 703 CA GLY A 49 -3.133 -18.675 9.028 1.00 32.30 C ATOM 704 C GLY A 49 -3.351 -18.212 10.454 1.00 31.21 C ATOM 705 O GLY A 49 -3.105 -18.959 11.403 1.00 3.24 O ATOM 0 H GLY A 49 -2.609 -17.653 7.275 1.00 74.43 H new ATOM 0 HA2 GLY A 49 -4.099 -18.813 8.543 1.00 32.30 H new ATOM 0 HA3 GLY A 49 -2.638 -19.646 9.036 1.00 32.30 H new ATOM 709 N THR A 50 -3.812 -16.975 10.609 1.00 63.04 N ATOM 710 CA THR A 50 -4.061 -16.412 11.930 1.00 54.32 C ATOM 711 C THR A 50 -5.344 -15.591 11.946 1.00 23.34 C ATOM 712 O THR A 50 -6.079 -15.588 12.933 1.00 11.24 O ATOM 713 CB THR A 50 -2.890 -15.523 12.391 1.00 30.42 C ATOM 714 OG1 THR A 50 -3.251 -14.819 13.585 1.00 11.51 O ATOM 715 CG2 THR A 50 -2.507 -14.528 11.305 1.00 74.24 C ATOM 0 H THR A 50 -4.021 -16.344 9.835 1.00 63.04 H new ATOM 0 HA THR A 50 -4.163 -17.252 12.617 1.00 54.32 H new ATOM 0 HB THR A 50 -2.032 -16.164 12.593 1.00 30.42 H new ATOM 0 HG1 THR A 50 -2.501 -14.257 13.873 1.00 11.51 H new ATOM 0 HG21 THR A 50 -1.678 -13.911 11.653 1.00 74.24 H new ATOM 0 HG22 THR A 50 -2.206 -15.068 10.407 1.00 74.24 H new ATOM 0 HG23 THR A 50 -3.362 -13.892 11.076 1.00 74.24 H new ATOM 723 N GLY A 51 -5.610 -14.895 10.844 1.00 52.11 N ATOM 724 CA GLY A 51 -6.807 -14.080 10.752 1.00 11.12 C ATOM 725 C GLY A 51 -6.507 -12.598 10.849 1.00 51.52 C ATOM 726 O GLY A 51 -7.355 -11.811 11.273 1.00 52.40 O ATOM 0 H GLY A 51 -5.018 -14.881 10.014 1.00 52.11 H new ATOM 0 HA2 GLY A 51 -7.311 -14.285 9.807 1.00 11.12 H new ATOM 0 HA3 GLY A 51 -7.496 -14.361 11.548 1.00 11.12 H new ATOM 730 N LYS A 52 -5.297 -12.213 10.456 1.00 63.35 N ATOM 731 CA LYS A 52 -4.887 -10.815 10.501 1.00 13.33 C ATOM 732 C LYS A 52 -5.137 -10.132 9.160 1.00 0.32 C ATOM 733 O LYS A 52 -5.668 -10.741 8.232 1.00 50.35 O ATOM 734 CB LYS A 52 -3.405 -10.708 10.870 1.00 64.51 C ATOM 735 CG LYS A 52 -3.116 -11.041 12.323 1.00 42.43 C ATOM 736 CD LYS A 52 -3.491 -9.890 13.244 1.00 14.13 C ATOM 737 CE LYS A 52 -2.467 -8.766 13.176 1.00 61.41 C ATOM 738 NZ LYS A 52 -1.787 -8.557 14.485 1.00 64.51 N ATOM 0 H LYS A 52 -4.583 -12.850 10.103 1.00 63.35 H new ATOM 0 HA LYS A 52 -5.483 -10.312 11.263 1.00 13.33 H new ATOM 0 HB2 LYS A 52 -2.830 -11.378 10.231 1.00 64.51 H new ATOM 0 HB3 LYS A 52 -3.059 -9.695 10.662 1.00 64.51 H new ATOM 0 HG2 LYS A 52 -3.671 -11.934 12.610 1.00 42.43 H new ATOM 0 HG3 LYS A 52 -2.057 -11.272 12.441 1.00 42.43 H new ATOM 0 HD2 LYS A 52 -4.473 -9.506 12.968 1.00 14.13 H new ATOM 0 HD3 LYS A 52 -3.567 -10.253 14.269 1.00 14.13 H new ATOM 0 HE2 LYS A 52 -1.724 -8.997 12.413 1.00 61.41 H new ATOM 0 HE3 LYS A 52 -2.960 -7.843 12.871 1.00 61.41 H new ATOM 0 HZ1 LYS A 52 -1.097 -7.784 14.398 1.00 64.51 H new ATOM 0 HZ2 LYS A 52 -2.493 -8.312 15.208 1.00 64.51 H new ATOM 0 HZ3 LYS A 52 -1.295 -9.430 14.764 1.00 64.51 H new ATOM 748 N GLU A 53 -4.750 -8.863 9.066 1.00 43.51 N ATOM 749 CA GLU A 53 -4.933 -8.098 7.838 1.00 61.32 C ATOM 750 C GLU A 53 -3.608 -7.514 7.358 1.00 35.03 C ATOM 751 O GLU A 53 -3.262 -6.378 7.684 1.00 3.33 O ATOM 752 CB GLU A 53 -5.949 -6.974 8.058 1.00 13.14 C ATOM 753 CG GLU A 53 -7.161 -7.399 8.869 1.00 34.44 C ATOM 754 CD GLU A 53 -8.380 -6.542 8.588 1.00 34.44 C ATOM 755 OE1 GLU A 53 -9.060 -6.795 7.571 1.00 52.40 O ATOM 756 OE2 GLU A 53 -8.654 -5.621 9.384 1.00 3.42 O ATOM 0 H GLU A 53 -4.308 -8.344 9.825 1.00 43.51 H new ATOM 0 HA GLU A 53 -5.310 -8.775 7.071 1.00 61.32 H new ATOM 0 HB2 GLU A 53 -5.456 -6.144 8.565 1.00 13.14 H new ATOM 0 HB3 GLU A 53 -6.283 -6.603 7.089 1.00 13.14 H new ATOM 0 HG2 GLU A 53 -7.395 -8.440 8.648 1.00 34.44 H new ATOM 0 HG3 GLU A 53 -6.920 -7.345 9.931 1.00 34.44 H new ATOM 761 N LEU A 54 -2.869 -8.299 6.582 1.00 21.44 N ATOM 762 CA LEU A 54 -1.580 -7.862 6.056 1.00 61.03 C ATOM 763 C LEU A 54 -1.559 -7.941 4.533 1.00 1.53 C ATOM 764 O LEU A 54 -2.364 -8.645 3.926 1.00 21.25 O ATOM 765 CB LEU A 54 -0.453 -8.717 6.639 1.00 2.34 C ATOM 766 CG LEU A 54 -0.873 -10.048 7.262 1.00 24.45 C ATOM 767 CD1 LEU A 54 -1.316 -11.025 6.184 1.00 24.23 C ATOM 768 CD2 LEU A 54 0.265 -10.637 8.082 1.00 13.32 C ATOM 0 H LEU A 54 -3.140 -9.242 6.303 1.00 21.44 H new ATOM 0 HA LEU A 54 -1.428 -6.823 6.349 1.00 61.03 H new ATOM 0 HB2 LEU A 54 0.268 -8.921 5.847 1.00 2.34 H new ATOM 0 HB3 LEU A 54 0.065 -8.131 7.398 1.00 2.34 H new ATOM 0 HG LEU A 54 -1.716 -9.865 7.928 1.00 24.45 H new ATOM 0 HD11 LEU A 54 -1.611 -11.967 6.646 1.00 24.23 H new ATOM 0 HD12 LEU A 54 -2.163 -10.607 5.639 1.00 24.23 H new ATOM 0 HD13 LEU A 54 -0.492 -11.202 5.493 1.00 24.23 H new ATOM 0 HD21 LEU A 54 -0.053 -11.584 8.518 1.00 13.32 H new ATOM 0 HD22 LEU A 54 1.128 -10.805 7.438 1.00 13.32 H new ATOM 0 HD23 LEU A 54 0.536 -9.944 8.879 1.00 13.32 H new ATOM 779 N VAL A 55 -0.629 -7.212 3.922 1.00 24.41 N ATOM 780 CA VAL A 55 -0.500 -7.202 2.469 1.00 4.42 C ATOM 781 C VAL A 55 0.955 -7.022 2.049 1.00 23.03 C ATOM 782 O VAL A 55 1.594 -6.026 2.393 1.00 22.42 O ATOM 783 CB VAL A 55 -1.348 -6.081 1.839 1.00 12.52 C ATOM 784 CG1 VAL A 55 -2.671 -6.634 1.331 1.00 2.43 C ATOM 785 CG2 VAL A 55 -1.578 -4.959 2.840 1.00 24.41 C ATOM 0 H VAL A 55 0.045 -6.622 4.410 1.00 24.41 H new ATOM 0 HA VAL A 55 -0.862 -8.166 2.111 1.00 4.42 H new ATOM 0 HB VAL A 55 -0.803 -5.671 0.989 1.00 12.52 H new ATOM 0 HG11 VAL A 55 -3.257 -5.828 0.889 1.00 2.43 H new ATOM 0 HG12 VAL A 55 -2.481 -7.399 0.578 1.00 2.43 H new ATOM 0 HG13 VAL A 55 -3.225 -7.072 2.161 1.00 2.43 H new ATOM 0 HG21 VAL A 55 -2.179 -4.176 2.377 1.00 24.41 H new ATOM 0 HG22 VAL A 55 -2.102 -5.351 3.712 1.00 24.41 H new ATOM 0 HG23 VAL A 55 -0.618 -4.545 3.149 1.00 24.41 H new ATOM 795 N LEU A 56 1.472 -7.991 1.301 1.00 2.41 N ATOM 796 CA LEU A 56 2.852 -7.940 0.832 1.00 15.31 C ATOM 797 C LEU A 56 2.982 -7.023 -0.381 1.00 62.02 C ATOM 798 O LEU A 56 2.027 -6.837 -1.135 1.00 41.31 O ATOM 799 CB LEU A 56 3.343 -9.344 0.477 1.00 53.34 C ATOM 800 CG LEU A 56 4.838 -9.479 0.185 1.00 32.25 C ATOM 801 CD1 LEU A 56 5.181 -8.832 -1.149 1.00 63.21 C ATOM 802 CD2 LEU A 56 5.659 -8.860 1.306 1.00 61.12 C ATOM 0 H LEU A 56 0.957 -8.821 1.007 1.00 2.41 H new ATOM 0 HA LEU A 56 3.468 -7.538 1.637 1.00 15.31 H new ATOM 0 HB2 LEU A 56 3.092 -10.014 1.300 1.00 53.34 H new ATOM 0 HB3 LEU A 56 2.790 -9.691 -0.396 1.00 53.34 H new ATOM 0 HG LEU A 56 5.083 -10.539 0.126 1.00 32.25 H new ATOM 0 HD11 LEU A 56 6.249 -8.937 -1.341 1.00 63.21 H new ATOM 0 HD12 LEU A 56 4.619 -9.320 -1.945 1.00 63.21 H new ATOM 0 HD13 LEU A 56 4.921 -7.774 -1.118 1.00 63.21 H new ATOM 0 HD21 LEU A 56 6.720 -8.966 1.081 1.00 61.12 H new ATOM 0 HD22 LEU A 56 5.411 -7.803 1.398 1.00 61.12 H new ATOM 0 HD23 LEU A 56 5.435 -9.368 2.244 1.00 61.12 H new ATOM 813 N ALA A 57 4.169 -6.455 -0.562 1.00 12.42 N ATOM 814 CA ALA A 57 4.425 -5.561 -1.685 1.00 50.22 C ATOM 815 C ALA A 57 5.011 -6.322 -2.870 1.00 24.31 C ATOM 816 O ALA A 57 6.160 -6.762 -2.832 1.00 2.21 O ATOM 817 CB ALA A 57 5.360 -4.437 -1.263 1.00 53.01 C ATOM 0 H ALA A 57 4.969 -6.598 0.054 1.00 12.42 H new ATOM 0 HA ALA A 57 3.474 -5.130 -1.998 1.00 50.22 H new ATOM 0 HB1 ALA A 57 5.542 -3.777 -2.111 1.00 53.01 H new ATOM 0 HB2 ALA A 57 4.903 -3.868 -0.453 1.00 53.01 H new ATOM 0 HB3 ALA A 57 6.305 -4.859 -0.922 1.00 53.01 H new ATOM 823 N LEU A 58 4.212 -6.475 -3.921 1.00 54.33 N ATOM 824 CA LEU A 58 4.651 -7.184 -5.118 1.00 73.21 C ATOM 825 C LEU A 58 5.607 -6.325 -5.940 1.00 52.00 C ATOM 826 O LEU A 58 6.542 -6.836 -6.556 1.00 11.43 O ATOM 827 CB LEU A 58 3.445 -7.582 -5.970 1.00 44.35 C ATOM 828 CG LEU A 58 2.211 -8.061 -5.204 1.00 63.22 C ATOM 829 CD1 LEU A 58 1.061 -8.335 -6.161 1.00 34.11 C ATOM 830 CD2 LEU A 58 2.538 -9.304 -4.390 1.00 74.34 C ATOM 0 H LEU A 58 3.258 -6.118 -3.968 1.00 54.33 H new ATOM 0 HA LEU A 58 5.179 -8.084 -4.804 1.00 73.21 H new ATOM 0 HB2 LEU A 58 3.159 -6.726 -6.581 1.00 44.35 H new ATOM 0 HB3 LEU A 58 3.753 -8.373 -6.654 1.00 44.35 H new ATOM 0 HG LEU A 58 1.904 -7.272 -4.517 1.00 63.22 H new ATOM 0 HD11 LEU A 58 0.192 -8.675 -5.598 1.00 34.11 H new ATOM 0 HD12 LEU A 58 0.810 -7.421 -6.699 1.00 34.11 H new ATOM 0 HD13 LEU A 58 1.356 -9.106 -6.873 1.00 34.11 H new ATOM 0 HD21 LEU A 58 1.648 -9.631 -3.852 1.00 74.34 H new ATOM 0 HD22 LEU A 58 2.871 -10.099 -5.057 1.00 74.34 H new ATOM 0 HD23 LEU A 58 3.330 -9.074 -3.677 1.00 74.34 H new ATOM 841 N TYR A 59 5.367 -5.019 -5.941 1.00 0.12 N ATOM 842 CA TYR A 59 6.207 -4.089 -6.688 1.00 64.11 C ATOM 843 C TYR A 59 6.694 -2.955 -5.790 1.00 33.22 C ATOM 844 O TYR A 59 6.429 -2.942 -4.589 1.00 43.05 O ATOM 845 CB TYR A 59 5.436 -3.516 -7.878 1.00 11.12 C ATOM 846 CG TYR A 59 4.614 -4.545 -8.620 1.00 60.14 C ATOM 847 CD1 TYR A 59 5.127 -5.807 -8.893 1.00 62.42 C ATOM 848 CD2 TYR A 59 3.323 -4.257 -9.045 1.00 61.31 C ATOM 849 CE1 TYR A 59 4.379 -6.751 -9.571 1.00 21.31 C ATOM 850 CE2 TYR A 59 2.567 -5.194 -9.722 1.00 70.24 C ATOM 851 CZ TYR A 59 3.100 -6.440 -9.982 1.00 12.23 C ATOM 852 OH TYR A 59 2.352 -7.378 -10.657 1.00 41.12 O ATOM 0 H TYR A 59 4.599 -4.580 -5.434 1.00 0.12 H new ATOM 0 HA TYR A 59 7.075 -4.637 -7.056 1.00 64.11 H new ATOM 0 HB2 TYR A 59 4.777 -2.723 -7.525 1.00 11.12 H new ATOM 0 HB3 TYR A 59 6.142 -3.059 -8.571 1.00 11.12 H new ATOM 0 HD1 TYR A 59 6.127 -6.055 -8.570 1.00 62.42 H new ATOM 0 HD2 TYR A 59 2.903 -3.283 -8.842 1.00 61.31 H new ATOM 0 HE1 TYR A 59 4.794 -7.727 -9.778 1.00 21.31 H new ATOM 0 HE2 TYR A 59 1.565 -4.953 -10.046 1.00 70.24 H new ATOM 0 HH TYR A 59 1.474 -7.001 -10.875 1.00 41.12 H new ATOM 861 N ASP A 60 7.409 -2.006 -6.384 1.00 51.45 N ATOM 862 CA ASP A 60 7.934 -0.866 -5.640 1.00 31.23 C ATOM 863 C ASP A 60 7.097 0.382 -5.898 1.00 3.25 C ATOM 864 O ASP A 60 6.996 0.851 -7.032 1.00 3.33 O ATOM 865 CB ASP A 60 9.391 -0.607 -6.025 1.00 52.21 C ATOM 866 CG ASP A 60 9.772 0.855 -5.899 1.00 11.12 C ATOM 867 OD1 ASP A 60 9.479 1.455 -4.844 1.00 45.40 O ATOM 868 OD2 ASP A 60 10.361 1.400 -6.856 1.00 31.03 O ATOM 0 H ASP A 60 7.638 -2.003 -7.378 1.00 51.45 H new ATOM 0 HA ASP A 60 7.884 -1.102 -4.577 1.00 31.23 H new ATOM 0 HB2 ASP A 60 10.044 -1.206 -5.389 1.00 52.21 H new ATOM 0 HB3 ASP A 60 9.557 -0.935 -7.051 1.00 52.21 H new ATOM 872 N TYR A 61 6.497 0.915 -4.839 1.00 10.44 N ATOM 873 CA TYR A 61 5.666 2.108 -4.951 1.00 42.11 C ATOM 874 C TYR A 61 6.209 3.235 -4.078 1.00 32.43 C ATOM 875 O TYR A 61 7.088 3.020 -3.244 1.00 72.50 O ATOM 876 CB TYR A 61 4.224 1.788 -4.552 1.00 3.42 C ATOM 877 CG TYR A 61 3.277 2.955 -4.722 1.00 40.21 C ATOM 878 CD1 TYR A 61 3.181 3.944 -3.751 1.00 11.22 C ATOM 879 CD2 TYR A 61 2.477 3.067 -5.853 1.00 35.10 C ATOM 880 CE1 TYR A 61 2.316 5.012 -3.902 1.00 62.41 C ATOM 881 CE2 TYR A 61 1.612 4.131 -6.013 1.00 24.22 C ATOM 882 CZ TYR A 61 1.534 5.100 -5.035 1.00 43.40 C ATOM 883 OH TYR A 61 0.673 6.162 -5.189 1.00 24.45 O ATOM 0 H TYR A 61 6.571 0.540 -3.893 1.00 10.44 H new ATOM 0 HA TYR A 61 5.685 2.437 -5.990 1.00 42.11 H new ATOM 0 HB2 TYR A 61 3.867 0.951 -5.151 1.00 3.42 H new ATOM 0 HB3 TYR A 61 4.207 1.465 -3.511 1.00 3.42 H new ATOM 0 HD1 TYR A 61 3.792 3.877 -2.863 1.00 11.22 H new ATOM 0 HD2 TYR A 61 2.533 2.309 -6.620 1.00 35.10 H new ATOM 0 HE1 TYR A 61 2.253 5.773 -3.138 1.00 62.41 H new ATOM 0 HE2 TYR A 61 1.000 4.204 -6.900 1.00 24.22 H new ATOM 0 HH TYR A 61 0.023 5.956 -5.893 1.00 24.45 H new ATOM 892 N GLN A 62 5.679 4.437 -4.277 1.00 3.35 N ATOM 893 CA GLN A 62 6.110 5.599 -3.510 1.00 1.40 C ATOM 894 C GLN A 62 4.960 6.583 -3.319 1.00 51.34 C ATOM 895 O GLN A 62 4.406 7.099 -4.289 1.00 65.02 O ATOM 896 CB GLN A 62 7.280 6.293 -4.208 1.00 4.22 C ATOM 897 CG GLN A 62 7.451 7.750 -3.808 1.00 23.44 C ATOM 898 CD GLN A 62 7.923 7.910 -2.376 1.00 23.43 C ATOM 899 OE1 GLN A 62 6.980 7.944 -1.442 1.00 63.24 O flip ATOM 900 NE2 GLN A 62 9.122 8.002 -2.114 1.00 64.22 N flip ATOM 0 H GLN A 62 4.950 4.632 -4.963 1.00 3.35 H new ATOM 0 HA GLN A 62 6.435 5.254 -2.529 1.00 1.40 H new ATOM 0 HB2 GLN A 62 8.199 5.753 -3.982 1.00 4.22 H new ATOM 0 HB3 GLN A 62 7.134 6.236 -5.287 1.00 4.22 H new ATOM 0 HG2 GLN A 62 8.167 8.225 -4.478 1.00 23.44 H new ATOM 0 HG3 GLN A 62 6.502 8.271 -3.934 1.00 23.44 H new ATOM 0 HE21 GLN A 62 9.812 7.971 -2.865 1.00 64.22 H new ATOM 0 HE22 GLN A 62 9.426 8.109 -1.146 1.00 64.22 H new ATOM 907 N GLU A 63 4.606 6.837 -2.062 1.00 33.42 N ATOM 908 CA GLU A 63 3.521 7.757 -1.746 1.00 14.50 C ATOM 909 C GLU A 63 4.027 8.924 -0.902 1.00 53.24 C ATOM 910 O GLU A 63 4.907 8.758 -0.058 1.00 64.14 O ATOM 911 CB GLU A 63 2.401 7.025 -1.005 1.00 0.34 C ATOM 912 CG GLU A 63 1.008 7.430 -1.456 1.00 31.45 C ATOM 913 CD GLU A 63 0.949 8.859 -1.960 1.00 61.42 C ATOM 914 OE1 GLU A 63 0.945 9.784 -1.121 1.00 75.53 O ATOM 915 OE2 GLU A 63 0.906 9.052 -3.193 1.00 70.34 O ATOM 0 H GLU A 63 5.055 6.418 -1.247 1.00 33.42 H new ATOM 0 HA GLU A 63 3.128 8.152 -2.683 1.00 14.50 H new ATOM 0 HB2 GLU A 63 2.523 5.951 -1.149 1.00 0.34 H new ATOM 0 HB3 GLU A 63 2.498 7.216 0.064 1.00 0.34 H new ATOM 0 HG2 GLU A 63 0.676 6.756 -2.246 1.00 31.45 H new ATOM 0 HG3 GLU A 63 0.313 7.313 -0.625 1.00 31.45 H new ATOM 920 N SER A 64 3.464 10.105 -1.138 1.00 44.21 N ATOM 921 CA SER A 64 3.860 11.301 -0.402 1.00 34.45 C ATOM 922 C SER A 64 2.660 11.930 0.298 1.00 51.11 C ATOM 923 O SER A 64 1.880 12.658 -0.316 1.00 11.41 O ATOM 924 CB SER A 64 4.504 12.316 -1.348 1.00 52.45 C ATOM 925 OG SER A 64 3.565 12.803 -2.290 1.00 5.22 O ATOM 0 H SER A 64 2.733 10.259 -1.832 1.00 44.21 H new ATOM 0 HA SER A 64 4.587 11.009 0.355 1.00 34.45 H new ATOM 0 HB2 SER A 64 4.910 13.147 -0.772 1.00 52.45 H new ATOM 0 HB3 SER A 64 5.340 11.851 -1.870 1.00 52.45 H new ATOM 0 HG SER A 64 2.907 13.368 -1.834 1.00 5.22 H new ATOM 930 N GLY A 65 2.518 11.644 1.588 1.00 3.51 N ATOM 931 CA GLY A 65 1.410 12.189 2.352 1.00 55.23 C ATOM 932 C GLY A 65 0.084 11.558 1.980 1.00 1.10 C ATOM 933 O GLY A 65 -0.346 11.631 0.829 1.00 14.30 O ATOM 0 H GLY A 65 3.150 11.045 2.118 1.00 3.51 H new ATOM 0 HA2 GLY A 65 1.596 12.036 3.415 1.00 55.23 H new ATOM 0 HA3 GLY A 65 1.355 13.265 2.189 1.00 55.23 H new ATOM 937 N ASP A 66 -0.567 10.935 2.957 1.00 25.24 N ATOM 938 CA ASP A 66 -1.854 10.288 2.726 1.00 35.31 C ATOM 939 C ASP A 66 -2.692 11.083 1.732 1.00 4.15 C ATOM 940 O ASP A 66 -3.251 12.126 2.070 1.00 13.30 O ATOM 941 CB ASP A 66 -2.614 10.132 4.045 1.00 10.24 C ATOM 942 CG ASP A 66 -3.209 11.441 4.527 1.00 10.05 C ATOM 943 OD1 ASP A 66 -2.443 12.412 4.700 1.00 0.23 O ATOM 944 OD2 ASP A 66 -4.439 11.493 4.732 1.00 22.21 O ATOM 0 H ASP A 66 -0.225 10.864 3.915 1.00 25.24 H new ATOM 0 HA ASP A 66 -1.666 9.300 2.305 1.00 35.31 H new ATOM 0 HB2 ASP A 66 -3.411 9.399 3.918 1.00 10.24 H new ATOM 0 HB3 ASP A 66 -1.939 9.741 4.806 1.00 10.24 H new ATOM 948 N ASN A 67 -2.775 10.585 0.502 1.00 62.40 N ATOM 949 CA ASN A 67 -3.544 11.251 -0.542 1.00 31.44 C ATOM 950 C ASN A 67 -4.604 10.316 -1.117 1.00 22.10 C ATOM 951 O ASN A 67 -4.336 9.144 -1.378 1.00 25.41 O ATOM 952 CB ASN A 67 -2.616 11.735 -1.658 1.00 2.05 C ATOM 953 CG ASN A 67 -1.569 12.711 -1.157 1.00 51.41 C ATOM 954 OD1 ASN A 67 -0.395 12.618 -1.515 1.00 34.31 O ATOM 955 ND2 ASN A 67 -1.992 13.654 -0.324 1.00 54.21 N ATOM 0 H ASN A 67 -2.319 9.722 0.205 1.00 62.40 H new ATOM 0 HA ASN A 67 -4.045 12.110 -0.097 1.00 31.44 H new ATOM 0 HB2 ASN A 67 -2.121 10.877 -2.113 1.00 2.05 H new ATOM 0 HB3 ASN A 67 -3.209 12.212 -2.439 1.00 2.05 H new ATOM 0 HD21 ASN A 67 -1.334 14.340 0.046 1.00 54.21 H new ATOM 0 HD22 ASN A 67 -2.975 13.693 -0.054 1.00 54.21 H new ATOM 961 N ALA A 68 -5.808 10.844 -1.313 1.00 41.13 N ATOM 962 CA ALA A 68 -6.908 10.058 -1.859 1.00 51.24 C ATOM 963 C ALA A 68 -6.627 9.649 -3.301 1.00 31.13 C ATOM 964 O ALA A 68 -6.060 10.409 -4.088 1.00 31.31 O ATOM 965 CB ALA A 68 -8.209 10.842 -1.774 1.00 32.22 C ATOM 0 H ALA A 68 -6.046 11.813 -1.102 1.00 41.13 H new ATOM 0 HA ALA A 68 -7.004 9.150 -1.264 1.00 51.24 H new ATOM 0 HB1 ALA A 68 -9.022 10.244 -2.185 1.00 32.22 H new ATOM 0 HB2 ALA A 68 -8.424 11.079 -0.732 1.00 32.22 H new ATOM 0 HB3 ALA A 68 -8.115 11.766 -2.344 1.00 32.22 H new ATOM 971 N PRO A 69 -7.031 8.421 -3.659 1.00 51.44 N ATOM 972 CA PRO A 69 -6.833 7.884 -5.008 1.00 23.11 C ATOM 973 C PRO A 69 -7.710 8.580 -6.043 1.00 52.34 C ATOM 974 O PRO A 69 -7.314 9.588 -6.629 1.00 75.21 O ATOM 975 CB PRO A 69 -7.237 6.414 -4.866 1.00 15.44 C ATOM 976 CG PRO A 69 -8.180 6.389 -3.715 1.00 21.42 C ATOM 977 CD PRO A 69 -7.712 7.463 -2.773 1.00 64.25 C ATOM 0 HA PRO A 69 -5.811 8.028 -5.359 1.00 23.11 H new ATOM 0 HB2 PRO A 69 -7.712 6.045 -5.775 1.00 15.44 H new ATOM 0 HB3 PRO A 69 -6.369 5.781 -4.680 1.00 15.44 H new ATOM 0 HG2 PRO A 69 -9.202 6.577 -4.044 1.00 21.42 H new ATOM 0 HG3 PRO A 69 -8.176 5.414 -3.228 1.00 21.42 H new ATOM 0 HD2 PRO A 69 -8.546 7.926 -2.246 1.00 64.25 H new ATOM 0 HD3 PRO A 69 -7.036 7.066 -2.015 1.00 64.25 H new ATOM 982 N SER A 70 -8.903 8.037 -6.263 1.00 31.10 N ATOM 983 CA SER A 70 -9.834 8.605 -7.231 1.00 63.41 C ATOM 984 C SER A 70 -9.406 8.272 -8.657 1.00 52.02 C ATOM 985 O SER A 70 -10.210 7.812 -9.467 1.00 5.12 O ATOM 986 CB SER A 70 -9.925 10.121 -7.054 1.00 61.22 C ATOM 987 OG SER A 70 -11.225 10.593 -7.362 1.00 4.44 O ATOM 0 H SER A 70 -9.248 7.205 -5.784 1.00 31.10 H new ATOM 0 HA SER A 70 -10.816 8.167 -7.054 1.00 63.41 H new ATOM 0 HB2 SER A 70 -9.672 10.386 -6.027 1.00 61.22 H new ATOM 0 HB3 SER A 70 -9.195 10.610 -7.699 1.00 61.22 H new ATOM 0 HG SER A 70 -11.258 11.565 -7.239 1.00 4.44 H new ATOM 992 N TYR A 71 -8.133 8.509 -8.955 1.00 20.50 N ATOM 993 CA TYR A 71 -7.597 8.237 -10.284 1.00 43.45 C ATOM 994 C TYR A 71 -7.133 6.789 -10.398 1.00 33.00 C ATOM 995 O TYR A 71 -7.097 6.055 -9.410 1.00 2.42 O ATOM 996 CB TYR A 71 -6.433 9.182 -10.589 1.00 3.21 C ATOM 997 CG TYR A 71 -5.426 9.286 -9.466 1.00 14.01 C ATOM 998 CD1 TYR A 71 -4.390 8.367 -9.349 1.00 12.01 C ATOM 999 CD2 TYR A 71 -5.509 10.303 -8.523 1.00 14.21 C ATOM 1000 CE1 TYR A 71 -3.468 8.457 -8.324 1.00 11.13 C ATOM 1001 CE2 TYR A 71 -4.590 10.402 -7.497 1.00 70.23 C ATOM 1002 CZ TYR A 71 -3.572 9.475 -7.401 1.00 5.54 C ATOM 1003 OH TYR A 71 -2.655 9.570 -6.380 1.00 41.33 O ATOM 0 H TYR A 71 -7.454 8.888 -8.295 1.00 20.50 H new ATOM 0 HA TYR A 71 -8.393 8.403 -11.010 1.00 43.45 H new ATOM 0 HB2 TYR A 71 -5.925 8.840 -11.491 1.00 3.21 H new ATOM 0 HB3 TYR A 71 -6.829 10.175 -10.804 1.00 3.21 H new ATOM 0 HD1 TYR A 71 -4.304 7.569 -10.072 1.00 12.01 H new ATOM 0 HD2 TYR A 71 -6.306 11.029 -8.594 1.00 14.21 H new ATOM 0 HE1 TYR A 71 -2.670 7.733 -8.247 1.00 11.13 H new ATOM 0 HE2 TYR A 71 -4.667 11.200 -6.774 1.00 70.23 H new ATOM 0 HH TYR A 71 -2.870 10.344 -5.818 1.00 41.33 H new ATOM 1012 N SER A 72 -6.778 6.382 -11.613 1.00 13.00 N ATOM 1013 CA SER A 72 -6.319 5.020 -11.860 1.00 3.21 C ATOM 1014 C SER A 72 -4.899 4.823 -11.340 1.00 35.42 C ATOM 1015 O SER A 72 -4.066 5.729 -11.374 1.00 23.04 O ATOM 1016 CB SER A 72 -6.376 4.704 -13.357 1.00 61.44 C ATOM 1017 OG SER A 72 -5.624 5.643 -14.105 1.00 74.13 O ATOM 0 H SER A 72 -6.800 6.976 -12.442 1.00 13.00 H new ATOM 0 HA SER A 72 -6.980 4.337 -11.327 1.00 3.21 H new ATOM 0 HB2 SER A 72 -5.990 3.700 -13.535 1.00 61.44 H new ATOM 0 HB3 SER A 72 -7.412 4.712 -13.694 1.00 61.44 H new ATOM 0 HG SER A 72 -5.675 5.418 -15.058 1.00 74.13 H new ATOM 1022 N PRO A 73 -4.613 3.608 -10.848 1.00 22.04 N ATOM 1023 CA PRO A 73 -3.294 3.262 -10.312 1.00 75.34 C ATOM 1024 C PRO A 73 -2.230 3.178 -11.401 1.00 51.40 C ATOM 1025 O PRO A 73 -2.526 2.969 -12.577 1.00 10.34 O ATOM 1026 CB PRO A 73 -3.519 1.888 -9.678 1.00 74.44 C ATOM 1027 CG PRO A 73 -4.678 1.314 -10.416 1.00 61.11 C ATOM 1028 CD PRO A 73 -5.557 2.480 -10.777 1.00 15.32 C ATOM 0 HA PRO A 73 -2.927 4.014 -9.614 1.00 75.34 H new ATOM 0 HB2 PRO A 73 -2.636 1.257 -9.777 1.00 74.44 H new ATOM 0 HB3 PRO A 73 -3.732 1.974 -8.612 1.00 74.44 H new ATOM 0 HG2 PRO A 73 -4.348 0.783 -11.309 1.00 61.11 H new ATOM 0 HG3 PRO A 73 -5.217 0.595 -9.798 1.00 61.11 H new ATOM 0 HD2 PRO A 73 -6.066 2.321 -11.728 1.00 15.32 H new ATOM 0 HD3 PRO A 73 -6.329 2.649 -10.027 1.00 15.32 H new ATOM 1033 N PRO A 74 -0.960 3.344 -11.002 1.00 13.01 N ATOM 1034 CA PRO A 74 0.175 3.290 -11.929 1.00 23.52 C ATOM 1035 C PRO A 74 0.423 1.882 -12.462 1.00 5.41 C ATOM 1036 O PRO A 74 0.164 0.884 -11.790 1.00 45.34 O ATOM 1037 CB PRO A 74 1.355 3.753 -11.073 1.00 73.34 C ATOM 1038 CG PRO A 74 0.960 3.426 -9.674 1.00 13.22 C ATOM 1039 CD PRO A 74 -0.533 3.595 -9.616 1.00 50.32 C ATOM 0 HA PRO A 74 0.007 3.903 -12.814 1.00 23.52 H new ATOM 0 HB2 PRO A 74 2.274 3.239 -11.355 1.00 73.34 H new ATOM 0 HB3 PRO A 74 1.537 4.821 -11.194 1.00 73.34 H new ATOM 0 HG2 PRO A 74 1.248 2.407 -9.415 1.00 13.22 H new ATOM 0 HG3 PRO A 74 1.456 4.088 -8.964 1.00 13.22 H new ATOM 0 HD2 PRO A 74 -0.990 2.891 -8.921 1.00 50.32 H new ATOM 0 HD3 PRO A 74 -0.811 4.596 -9.285 1.00 50.32 H new ATOM 1044 N PRO A 75 0.936 1.798 -13.698 1.00 23.30 N ATOM 1045 CA PRO A 75 1.230 0.517 -14.347 1.00 31.04 C ATOM 1046 C PRO A 75 2.410 -0.202 -13.702 1.00 12.41 C ATOM 1047 O PRO A 75 3.502 0.350 -13.561 1.00 41.21 O ATOM 1048 CB PRO A 75 1.569 0.919 -15.785 1.00 60.55 C ATOM 1049 CG PRO A 75 2.047 2.326 -15.684 1.00 73.32 C ATOM 1050 CD PRO A 75 1.268 2.947 -14.557 1.00 60.21 C ATOM 0 HA PRO A 75 0.396 -0.181 -14.270 1.00 31.04 H new ATOM 0 HB2 PRO A 75 2.336 0.270 -16.207 1.00 60.55 H new ATOM 0 HB3 PRO A 75 0.696 0.843 -16.433 1.00 60.55 H new ATOM 0 HG2 PRO A 75 3.118 2.361 -15.484 1.00 73.32 H new ATOM 0 HG3 PRO A 75 1.879 2.863 -16.617 1.00 73.32 H new ATOM 0 HD2 PRO A 75 1.859 3.691 -14.022 1.00 60.21 H new ATOM 0 HD3 PRO A 75 0.372 3.451 -14.918 1.00 60.21 H new ATOM 1055 N PRO A 76 2.190 -1.462 -13.302 1.00 63.54 N ATOM 1056 CA PRO A 76 3.223 -2.283 -12.665 1.00 34.41 C ATOM 1057 C PRO A 76 4.326 -2.683 -13.640 1.00 71.05 C ATOM 1058 O PRO A 76 4.218 -2.489 -14.851 1.00 55.35 O ATOM 1059 CB PRO A 76 2.454 -3.520 -12.193 1.00 53.34 C ATOM 1060 CG PRO A 76 1.276 -3.602 -13.100 1.00 34.30 C ATOM 1061 CD PRO A 76 0.913 -2.183 -13.437 1.00 2.14 C ATOM 0 HA PRO A 76 3.731 -1.748 -11.862 1.00 34.41 H new ATOM 0 HB2 PRO A 76 3.069 -4.418 -12.260 1.00 53.34 H new ATOM 0 HB3 PRO A 76 2.146 -3.422 -11.152 1.00 53.34 H new ATOM 0 HG2 PRO A 76 1.515 -4.168 -14.000 1.00 34.30 H new ATOM 0 HG3 PRO A 76 0.444 -4.113 -12.614 1.00 34.30 H new ATOM 0 HD2 PRO A 76 0.510 -2.100 -14.446 1.00 2.14 H new ATOM 0 HD3 PRO A 76 0.156 -1.790 -12.758 1.00 2.14 H new ATOM 1066 N PRO A 77 5.413 -3.256 -13.102 1.00 51.03 N ATOM 1067 CA PRO A 77 6.557 -3.696 -13.907 1.00 43.55 C ATOM 1068 C PRO A 77 6.225 -4.908 -14.770 1.00 13.14 C ATOM 1069 O PRO A 77 5.281 -4.880 -15.561 1.00 52.34 O ATOM 1070 CB PRO A 77 7.611 -4.058 -12.857 1.00 33.41 C ATOM 1071 CG PRO A 77 6.828 -4.399 -11.637 1.00 72.42 C ATOM 1072 CD PRO A 77 5.610 -3.518 -11.666 1.00 72.23 C ATOM 0 HA PRO A 77 6.882 -2.928 -14.609 1.00 43.55 H new ATOM 0 HB2 PRO A 77 8.222 -4.899 -13.183 1.00 33.41 H new ATOM 0 HB3 PRO A 77 8.289 -3.224 -12.672 1.00 33.41 H new ATOM 0 HG2 PRO A 77 6.548 -5.452 -11.635 1.00 72.42 H new ATOM 0 HG3 PRO A 77 7.415 -4.224 -10.735 1.00 72.42 H new ATOM 0 HD2 PRO A 77 4.745 -4.014 -11.226 1.00 72.23 H new ATOM 0 HD3 PRO A 77 5.768 -2.596 -11.107 1.00 72.23 H new TER 1077 PRO A 77