USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1029 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 26 SER OG : rot 150:sc= 0.207 USER MOD Set 1.2: A 27 THR OG1 : rot 180:sc= 0.0946 USER MOD Single : A 3 MET CE :methyl -151:sc= -4.33! (180deg=-7.01!) USER MOD Single : A 4 THR OG1 : rot 91:sc= 0.745 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 35 SER OG : rot -100:sc= -0.886 USER MOD Single : A 36 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.11) USER MOD Single : A 37 HIS : no HD1:sc= -0.115 X(o=-0.11,f=3.6e-05) USER MOD Single : A 42 THR OG1 : rot 36:sc= 0.23 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -159:sc= -0.0487 (180deg=-0.346) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -112:sc= -0.315 (180deg=-1.97!) USER MOD Single : A 71 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.24) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.236 F(o=-1.7,f=-0.24) USER MOD Single : A 75 THR OG1 : rot 22:sc= 0.454 USER MOD Single : A 79 ASN : amide:sc= -0.975 X(o=-0.98,f=-0.82) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0.064) USER MOD Single : A 94 GLN : amide:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 95 THR OG1 : rot 150:sc= 0.929 USER MOD Single : A 102 ASN : amide:sc= -0.612 K(o=-0.61,f=-2.7!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 167:sc= -0.0579 (180deg=-0.137) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 124 THR OG1 : rot 85:sc= -0.569 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -0.0438 X(o=-0.044,f=-0.21) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0.124 USER MOD Single : A 134 SER OG : rot 180:sc= -0.104 USER MOD ----------------------------------------------------------------- ATOM 18 N VAL A 2 3.621 4.447 -2.247 1.00 43.12 N ATOM 19 CA VAL A 2 3.290 3.649 -1.073 1.00 33.11 C ATOM 20 C VAL A 2 2.858 4.535 0.090 1.00 52.21 C ATOM 21 O VAL A 2 2.138 4.094 0.985 1.00 12.42 O ATOM 22 CB VAL A 2 4.483 2.782 -0.628 1.00 51.41 C ATOM 23 CG1 VAL A 2 4.070 1.839 0.491 1.00 72.41 C ATOM 24 CG2 VAL A 2 5.048 2.007 -1.809 1.00 54.51 C ATOM 0 HA VAL A 2 2.463 2.998 -1.357 1.00 33.11 H new ATOM 0 HB VAL A 2 5.265 3.439 -0.247 1.00 51.41 H new ATOM 0 HG11 VAL A 2 4.926 1.235 0.792 1.00 72.41 H new ATOM 0 HG12 VAL A 2 3.717 2.419 1.344 1.00 72.41 H new ATOM 0 HG13 VAL A 2 3.270 1.186 0.140 1.00 72.41 H new ATOM 0 HG21 VAL A 2 5.890 1.400 -1.477 1.00 54.51 H new ATOM 0 HG22 VAL A 2 4.275 1.360 -2.223 1.00 54.51 H new ATOM 0 HG23 VAL A 2 5.385 2.706 -2.575 1.00 54.51 H new ATOM 34 N MET A 3 3.302 5.787 0.069 1.00 5.52 N ATOM 35 CA MET A 3 2.960 6.737 1.122 1.00 42.13 C ATOM 36 C MET A 3 1.778 7.607 0.706 1.00 44.14 C ATOM 37 O MET A 3 1.541 7.823 -0.483 1.00 52.14 O ATOM 38 CB MET A 3 4.165 7.619 1.454 1.00 24.34 C ATOM 39 CG MET A 3 3.906 8.601 2.585 1.00 23.45 C ATOM 40 SD MET A 3 5.357 9.592 2.991 1.00 60.40 S ATOM 41 CE MET A 3 5.598 10.483 1.456 1.00 13.12 C ATOM 0 H MET A 3 3.899 6.168 -0.665 1.00 5.52 H new ATOM 0 HA MET A 3 2.678 6.171 2.010 1.00 42.13 H new ATOM 0 HB2 MET A 3 5.008 6.982 1.723 1.00 24.34 H new ATOM 0 HB3 MET A 3 4.456 8.173 0.562 1.00 24.34 H new ATOM 0 HG2 MET A 3 3.086 9.262 2.306 1.00 23.45 H new ATOM 0 HG3 MET A 3 3.586 8.053 3.471 1.00 23.45 H new ATOM 0 HE1 MET A 3 6.656 10.716 1.333 1.00 13.12 H new ATOM 0 HE2 MET A 3 5.262 9.868 0.621 1.00 13.12 H new ATOM 0 HE3 MET A 3 5.023 11.409 1.479 1.00 13.12 H new ATOM 51 N THR A 4 1.039 8.105 1.692 1.00 20.21 N ATOM 52 CA THR A 4 -0.119 8.950 1.428 1.00 23.22 C ATOM 53 C THR A 4 -0.141 10.158 2.357 1.00 4.14 C ATOM 54 O THR A 4 -0.396 10.029 3.555 1.00 65.42 O ATOM 55 CB THR A 4 -1.435 8.167 1.592 1.00 61.41 C ATOM 56 OG1 THR A 4 -1.174 6.759 1.568 1.00 64.03 O ATOM 57 CG2 THR A 4 -2.418 8.524 0.488 1.00 52.13 C ATOM 0 H THR A 4 1.222 7.938 2.681 1.00 20.21 H new ATOM 0 HA THR A 4 -0.033 9.290 0.396 1.00 23.22 H new ATOM 0 HB THR A 4 -1.876 8.438 2.551 1.00 61.41 H new ATOM 0 HG1 THR A 4 -1.013 6.441 2.481 1.00 64.03 H new ATOM 0 HG21 THR A 4 -3.340 7.959 0.625 1.00 52.13 H new ATOM 0 HG22 THR A 4 -2.637 9.591 0.527 1.00 52.13 H new ATOM 0 HG23 THR A 4 -1.982 8.279 -0.481 1.00 52.13 H new ATOM 65 N VAL A 5 0.128 11.334 1.798 1.00 34.12 N ATOM 66 CA VAL A 5 0.137 12.566 2.577 1.00 53.51 C ATOM 67 C VAL A 5 -1.222 13.257 2.529 1.00 44.13 C ATOM 68 O VAL A 5 -1.820 13.398 1.462 1.00 11.11 O ATOM 69 CB VAL A 5 1.215 13.543 2.070 1.00 31.40 C ATOM 70 CG1 VAL A 5 1.323 14.746 2.994 1.00 30.11 C ATOM 71 CG2 VAL A 5 2.556 12.835 1.943 1.00 52.51 C ATOM 0 H VAL A 5 0.342 11.459 0.809 1.00 34.12 H new ATOM 0 HA VAL A 5 0.364 12.288 3.606 1.00 53.51 H new ATOM 0 HB VAL A 5 0.923 13.900 1.082 1.00 31.40 H new ATOM 0 HG11 VAL A 5 2.089 15.425 2.620 1.00 30.11 H new ATOM 0 HG12 VAL A 5 0.365 15.265 3.030 1.00 30.11 H new ATOM 0 HG13 VAL A 5 1.592 14.412 3.996 1.00 30.11 H new ATOM 0 HG21 VAL A 5 3.307 13.539 1.584 1.00 52.51 H new ATOM 0 HG22 VAL A 5 2.857 12.449 2.917 1.00 52.51 H new ATOM 0 HG23 VAL A 5 2.466 12.009 1.237 1.00 52.51 H new ATOM 81 N ARG A 6 -1.703 13.686 3.691 1.00 44.32 N ATOM 82 CA ARG A 6 -2.991 14.362 3.782 1.00 52.15 C ATOM 83 C ARG A 6 -2.886 15.620 4.639 1.00 53.02 C ATOM 84 O ARG A 6 -2.455 15.565 5.790 1.00 5.14 O ATOM 85 CB ARG A 6 -4.045 13.420 4.366 1.00 31.03 C ATOM 86 CG ARG A 6 -5.347 14.114 4.731 1.00 32.00 C ATOM 87 CD ARG A 6 -5.599 14.075 6.230 1.00 24.53 C ATOM 88 NE ARG A 6 -7.024 14.087 6.547 1.00 73.52 N ATOM 89 CZ ARG A 6 -7.793 13.004 6.515 1.00 32.23 C ATOM 90 NH1 ARG A 6 -7.276 11.829 6.184 1.00 71.23 N ATOM 91 NH2 ARG A 6 -9.082 13.095 6.816 1.00 12.04 N ATOM 0 H ARG A 6 -1.220 13.577 4.583 1.00 44.32 H new ATOM 0 HA ARG A 6 -3.292 14.653 2.776 1.00 52.15 H new ATOM 0 HB2 ARG A 6 -4.254 12.630 3.644 1.00 31.03 H new ATOM 0 HB3 ARG A 6 -3.638 12.939 5.255 1.00 31.03 H new ATOM 0 HG2 ARG A 6 -5.315 15.150 4.393 1.00 32.00 H new ATOM 0 HG3 ARG A 6 -6.175 13.634 4.209 1.00 32.00 H new ATOM 0 HD2 ARG A 6 -5.142 13.180 6.651 1.00 24.53 H new ATOM 0 HD3 ARG A 6 -5.116 14.931 6.701 1.00 24.53 H new ATOM 0 HE ARG A 6 -7.453 14.975 6.807 1.00 73.52 H new ATOM 0 HH11 ARG A 6 -6.285 11.755 5.953 1.00 71.23 H new ATOM 0 HH12 ARG A 6 -7.869 10.999 6.160 1.00 71.23 H new ATOM 0 HH21 ARG A 6 -9.483 13.997 7.072 1.00 12.04 H new ATOM 0 HH22 ARG A 6 -9.672 12.263 6.791 1.00 12.04 H new ATOM 105 N VAL A 7 -3.284 16.753 4.069 1.00 43.31 N ATOM 106 CA VAL A 7 -3.235 18.025 4.780 1.00 31.04 C ATOM 107 C VAL A 7 -4.601 18.388 5.351 1.00 34.12 C ATOM 108 O VAL A 7 -5.635 18.095 4.749 1.00 44.13 O ATOM 109 CB VAL A 7 -2.756 19.164 3.861 1.00 2.34 C ATOM 110 CG1 VAL A 7 -2.524 20.436 4.663 1.00 32.25 C ATOM 111 CG2 VAL A 7 -1.492 18.754 3.120 1.00 54.31 C ATOM 0 H VAL A 7 -3.644 16.816 3.117 1.00 43.31 H new ATOM 0 HA VAL A 7 -2.523 17.904 5.597 1.00 31.04 H new ATOM 0 HB VAL A 7 -3.534 19.364 3.124 1.00 2.34 H new ATOM 0 HG11 VAL A 7 -2.186 21.230 3.997 1.00 32.25 H new ATOM 0 HG12 VAL A 7 -3.454 20.738 5.144 1.00 32.25 H new ATOM 0 HG13 VAL A 7 -1.765 20.253 5.424 1.00 32.25 H new ATOM 0 HG21 VAL A 7 -1.167 19.571 2.475 1.00 54.31 H new ATOM 0 HG22 VAL A 7 -0.706 18.526 3.840 1.00 54.31 H new ATOM 0 HG23 VAL A 7 -1.696 17.872 2.513 1.00 54.31 H new ATOM 121 N ILE A 8 -4.599 19.027 6.516 1.00 41.31 N ATOM 122 CA ILE A 8 -5.839 19.432 7.167 1.00 25.24 C ATOM 123 C ILE A 8 -5.725 20.841 7.739 1.00 25.35 C ATOM 124 O ILE A 8 -4.651 21.263 8.168 1.00 62.33 O ATOM 125 CB ILE A 8 -6.223 18.460 8.299 1.00 51.14 C ATOM 126 CG1 ILE A 8 -6.206 17.017 7.789 1.00 10.41 C ATOM 127 CG2 ILE A 8 -7.593 18.814 8.858 1.00 71.22 C ATOM 128 CD1 ILE A 8 -6.411 15.989 8.879 1.00 2.14 C ATOM 0 H ILE A 8 -3.753 19.275 7.028 1.00 41.31 H new ATOM 0 HA ILE A 8 -6.617 19.414 6.404 1.00 25.24 H new ATOM 0 HB ILE A 8 -5.490 18.551 9.101 1.00 51.14 H new ATOM 0 HG12 ILE A 8 -6.985 16.897 7.036 1.00 10.41 H new ATOM 0 HG13 ILE A 8 -5.253 16.826 7.295 1.00 10.41 H new ATOM 0 HG21 ILE A 8 -7.851 18.119 9.657 1.00 71.22 H new ATOM 0 HG22 ILE A 8 -7.573 19.830 9.253 1.00 71.22 H new ATOM 0 HG23 ILE A 8 -8.338 18.748 8.065 1.00 71.22 H new ATOM 0 HD11 ILE A 8 -6.387 14.989 8.445 1.00 2.14 H new ATOM 0 HD12 ILE A 8 -5.618 16.082 9.621 1.00 2.14 H new ATOM 0 HD13 ILE A 8 -7.376 16.154 9.358 1.00 2.14 H new ATOM 140 N ALA A 9 -6.840 21.563 7.745 1.00 41.32 N ATOM 141 CA ALA A 9 -6.866 22.924 8.268 1.00 74.50 C ATOM 142 C ALA A 9 -7.831 23.041 9.443 1.00 11.00 C ATOM 143 O ALA A 9 -8.727 22.217 9.627 1.00 61.32 O ATOM 144 CB ALA A 9 -7.248 23.904 7.169 1.00 0.31 C ATOM 0 H ALA A 9 -7.737 21.229 7.394 1.00 41.32 H new ATOM 0 HA ALA A 9 -5.866 23.169 8.627 1.00 74.50 H new ATOM 0 HB1 ALA A 9 -7.264 24.916 7.573 1.00 0.31 H new ATOM 0 HB2 ALA A 9 -6.518 23.847 6.361 1.00 0.31 H new ATOM 0 HB3 ALA A 9 -8.236 23.652 6.784 1.00 0.31 H new ATOM 150 N PRO A 10 -7.646 24.089 10.259 1.00 2.13 N ATOM 151 CA PRO A 10 -8.490 24.339 11.431 1.00 33.22 C ATOM 152 C PRO A 10 -9.904 24.763 11.047 1.00 21.23 C ATOM 153 O PRO A 10 -10.782 24.875 11.902 1.00 34.55 O ATOM 154 CB PRO A 10 -7.768 25.479 12.153 1.00 65.11 C ATOM 155 CG PRO A 10 -6.998 26.176 11.085 1.00 70.15 C ATOM 156 CD PRO A 10 -6.598 25.111 10.101 1.00 41.42 C ATOM 0 HA PRO A 10 -8.617 23.444 12.040 1.00 33.22 H new ATOM 0 HB2 PRO A 10 -8.476 26.153 12.635 1.00 65.11 H new ATOM 0 HB3 PRO A 10 -7.108 25.099 12.933 1.00 65.11 H new ATOM 0 HG2 PRO A 10 -7.604 26.944 10.604 1.00 70.15 H new ATOM 0 HG3 PRO A 10 -6.121 26.675 11.498 1.00 70.15 H new ATOM 0 HD2 PRO A 10 -6.564 25.497 9.082 1.00 41.42 H new ATOM 0 HD3 PRO A 10 -5.609 24.710 10.323 1.00 41.42 H new ATOM 164 N ASP A 11 -10.116 24.997 9.757 1.00 13.21 N ATOM 165 CA ASP A 11 -11.424 25.408 9.260 1.00 73.53 C ATOM 166 C ASP A 11 -12.100 24.268 8.503 1.00 0.13 C ATOM 167 O ASP A 11 -13.320 24.255 8.338 1.00 0.30 O ATOM 168 CB ASP A 11 -11.287 26.630 8.350 1.00 34.52 C ATOM 169 CG ASP A 11 -12.630 27.165 7.894 1.00 73.13 C ATOM 170 OD1 ASP A 11 -13.150 26.669 6.873 1.00 73.13 O ATOM 171 OD2 ASP A 11 -13.161 28.081 8.557 1.00 20.51 O ATOM 0 H ASP A 11 -9.399 24.909 9.036 1.00 13.21 H new ATOM 0 HA ASP A 11 -12.045 25.671 10.117 1.00 73.53 H new ATOM 0 HB2 ASP A 11 -10.747 27.415 8.879 1.00 34.52 H new ATOM 0 HB3 ASP A 11 -10.690 26.365 7.478 1.00 34.52 H new ATOM 176 N LYS A 12 -11.299 23.312 8.045 1.00 41.45 N ATOM 177 CA LYS A 12 -11.818 22.168 7.305 1.00 20.34 C ATOM 178 C LYS A 12 -10.681 21.278 6.811 1.00 15.34 C ATOM 179 O LYS A 12 -9.529 21.447 7.210 1.00 24.54 O ATOM 180 CB LYS A 12 -12.662 22.640 6.120 1.00 51.44 C ATOM 181 CG LYS A 12 -14.063 22.055 6.099 1.00 73.54 C ATOM 182 CD LYS A 12 -15.115 23.131 5.885 1.00 65.44 C ATOM 183 CE LYS A 12 -16.443 22.533 5.448 1.00 33.22 C ATOM 184 NZ LYS A 12 -17.070 21.724 6.530 1.00 24.22 N ATOM 0 H LYS A 12 -10.287 23.307 8.173 1.00 41.45 H new ATOM 0 HA LYS A 12 -12.445 21.586 7.980 1.00 20.34 H new ATOM 0 HB2 LYS A 12 -12.732 23.727 6.145 1.00 51.44 H new ATOM 0 HB3 LYS A 12 -12.153 22.375 5.194 1.00 51.44 H new ATOM 0 HG2 LYS A 12 -14.136 21.311 5.305 1.00 73.54 H new ATOM 0 HG3 LYS A 12 -14.256 21.538 7.039 1.00 73.54 H new ATOM 0 HD2 LYS A 12 -15.254 23.694 6.808 1.00 65.44 H new ATOM 0 HD3 LYS A 12 -14.767 23.837 5.131 1.00 65.44 H new ATOM 0 HE2 LYS A 12 -17.122 23.333 5.153 1.00 33.22 H new ATOM 0 HE3 LYS A 12 -16.288 21.906 4.570 1.00 33.22 H new ATOM 0 HZ1 LYS A 12 -17.973 21.334 6.193 1.00 24.22 H new ATOM 0 HZ2 LYS A 12 -16.433 20.945 6.794 1.00 24.22 H new ATOM 0 HZ3 LYS A 12 -17.242 22.327 7.359 1.00 24.22 H new ATOM 198 N THR A 13 -11.013 20.331 5.939 1.00 12.50 N ATOM 199 CA THR A 13 -10.021 19.416 5.390 1.00 2.13 C ATOM 200 C THR A 13 -9.471 19.931 4.065 1.00 5.55 C ATOM 201 O THR A 13 -10.216 20.441 3.228 1.00 4.35 O ATOM 202 CB THR A 13 -10.612 18.010 5.176 1.00 65.24 C ATOM 203 OG1 THR A 13 -9.592 17.115 4.718 1.00 62.30 O ATOM 204 CG2 THR A 13 -11.749 18.049 4.166 1.00 12.24 C ATOM 0 H THR A 13 -11.962 20.178 5.598 1.00 12.50 H new ATOM 0 HA THR A 13 -9.211 19.355 6.117 1.00 2.13 H new ATOM 0 HB THR A 13 -11.005 17.656 6.129 1.00 65.24 H new ATOM 0 HG1 THR A 13 -9.975 16.223 4.586 1.00 62.30 H new ATOM 0 HG21 THR A 13 -12.151 17.045 4.031 1.00 12.24 H new ATOM 0 HG22 THR A 13 -12.537 18.709 4.530 1.00 12.24 H new ATOM 0 HG23 THR A 13 -11.376 18.421 3.212 1.00 12.24 H new ATOM 212 N VAL A 14 -8.161 19.795 3.880 1.00 33.14 N ATOM 213 CA VAL A 14 -7.511 20.245 2.656 1.00 52.34 C ATOM 214 C VAL A 14 -7.637 19.202 1.551 1.00 23.01 C ATOM 215 O VAL A 14 -8.360 19.401 0.575 1.00 61.20 O ATOM 216 CB VAL A 14 -6.020 20.551 2.891 1.00 20.42 C ATOM 217 CG1 VAL A 14 -5.413 21.222 1.669 1.00 3.30 C ATOM 218 CG2 VAL A 14 -5.843 21.417 4.129 1.00 51.10 C ATOM 0 H VAL A 14 -7.530 19.376 4.563 1.00 33.14 H new ATOM 0 HA VAL A 14 -8.017 21.160 2.347 1.00 52.34 H new ATOM 0 HB VAL A 14 -5.495 19.610 3.056 1.00 20.42 H new ATOM 0 HG11 VAL A 14 -4.359 21.430 1.854 1.00 3.30 H new ATOM 0 HG12 VAL A 14 -5.506 20.561 0.807 1.00 3.30 H new ATOM 0 HG13 VAL A 14 -5.938 22.156 1.469 1.00 3.30 H new ATOM 0 HG21 VAL A 14 -4.783 21.624 4.280 1.00 51.10 H new ATOM 0 HG22 VAL A 14 -6.380 22.356 3.996 1.00 51.10 H new ATOM 0 HG23 VAL A 14 -6.238 20.893 4.999 1.00 51.10 H new ATOM 228 N TRP A 15 -6.928 18.090 1.712 1.00 15.23 N ATOM 229 CA TRP A 15 -6.961 17.014 0.728 1.00 10.13 C ATOM 230 C TRP A 15 -6.040 15.871 1.141 1.00 52.00 C ATOM 231 O TRP A 15 -5.492 15.870 2.243 1.00 13.34 O ATOM 232 CB TRP A 15 -6.554 17.542 -0.648 1.00 61.34 C ATOM 233 CG TRP A 15 -7.600 17.328 -1.700 1.00 35.22 C ATOM 234 CD1 TRP A 15 -8.313 16.185 -1.927 1.00 21.15 C ATOM 235 CD2 TRP A 15 -8.050 18.282 -2.668 1.00 13.02 C ATOM 236 NE1 TRP A 15 -9.179 16.371 -2.977 1.00 45.22 N ATOM 237 CE2 TRP A 15 -9.037 17.650 -3.449 1.00 35.53 C ATOM 238 CE3 TRP A 15 -7.717 19.610 -2.950 1.00 31.55 C ATOM 239 CZ2 TRP A 15 -9.691 18.300 -4.492 1.00 12.34 C ATOM 240 CZ3 TRP A 15 -8.367 20.254 -3.985 1.00 65.12 C ATOM 241 CH2 TRP A 15 -9.345 19.600 -4.745 1.00 61.45 C ATOM 0 H TRP A 15 -6.324 17.910 2.514 1.00 15.23 H new ATOM 0 HA TRP A 15 -7.981 16.633 0.676 1.00 10.13 H new ATOM 0 HB2 TRP A 15 -6.339 18.608 -0.571 1.00 61.34 H new ATOM 0 HB3 TRP A 15 -5.631 17.052 -0.959 1.00 61.34 H new ATOM 0 HD1 TRP A 15 -8.211 15.269 -1.364 1.00 21.15 H new ATOM 0 HE1 TRP A 15 -9.823 15.671 -3.346 1.00 45.22 H new ATOM 0 HE3 TRP A 15 -6.965 20.123 -2.369 1.00 31.55 H new ATOM 0 HZ2 TRP A 15 -10.444 17.797 -5.080 1.00 12.34 H new ATOM 0 HZ3 TRP A 15 -8.117 21.280 -4.212 1.00 65.12 H new ATOM 0 HH2 TRP A 15 -9.836 20.132 -5.547 1.00 61.45 H new ATOM 252 N ASP A 16 -5.874 14.900 0.250 1.00 32.20 N ATOM 253 CA ASP A 16 -5.018 13.751 0.522 1.00 40.01 C ATOM 254 C ASP A 16 -4.513 13.130 -0.777 1.00 13.01 C ATOM 255 O ASP A 16 -5.222 12.361 -1.425 1.00 54.44 O ATOM 256 CB ASP A 16 -5.776 12.705 1.341 1.00 52.31 C ATOM 257 CG ASP A 16 -7.068 12.273 0.675 1.00 43.23 C ATOM 258 OD1 ASP A 16 -8.034 13.064 0.686 1.00 41.02 O ATOM 259 OD2 ASP A 16 -7.113 11.144 0.143 1.00 65.11 O ATOM 0 H ASP A 16 -6.321 14.885 -0.667 1.00 32.20 H new ATOM 0 HA ASP A 16 -4.159 14.097 1.096 1.00 40.01 H new ATOM 0 HB2 ASP A 16 -5.139 11.833 1.491 1.00 52.31 H new ATOM 0 HB3 ASP A 16 -5.998 13.111 2.328 1.00 52.31 H new ATOM 264 N ALA A 17 -3.284 13.470 -1.151 1.00 30.22 N ATOM 265 CA ALA A 17 -2.684 12.945 -2.371 1.00 53.12 C ATOM 266 C ALA A 17 -1.606 11.915 -2.054 1.00 22.21 C ATOM 267 O ALA A 17 -1.055 11.876 -0.954 1.00 2.14 O ATOM 268 CB ALA A 17 -2.105 14.079 -3.204 1.00 71.24 C ATOM 0 H ALA A 17 -2.684 14.107 -0.626 1.00 30.22 H new ATOM 0 HA ALA A 17 -3.465 12.448 -2.946 1.00 53.12 H new ATOM 0 HB1 ALA A 17 -1.660 13.673 -4.112 1.00 71.24 H new ATOM 0 HB2 ALA A 17 -2.899 14.777 -3.470 1.00 71.24 H new ATOM 0 HB3 ALA A 17 -1.341 14.601 -2.628 1.00 71.24 H new ATOM 274 N PRO A 18 -1.296 11.059 -3.039 1.00 31.42 N ATOM 275 CA PRO A 18 -0.281 10.012 -2.888 1.00 30.23 C ATOM 276 C PRO A 18 1.131 10.581 -2.806 1.00 1.22 C ATOM 277 O PRO A 18 1.352 11.760 -3.081 1.00 0.21 O ATOM 278 CB PRO A 18 -0.446 9.172 -4.157 1.00 31.13 C ATOM 279 CG PRO A 18 -1.036 10.107 -5.156 1.00 24.42 C ATOM 280 CD PRO A 18 -1.913 11.047 -4.376 1.00 64.21 C ATOM 0 HA PRO A 18 -0.413 9.446 -1.966 1.00 30.23 H new ATOM 0 HB2 PRO A 18 0.512 8.780 -4.499 1.00 31.13 H new ATOM 0 HB3 PRO A 18 -1.098 8.316 -3.983 1.00 31.13 H new ATOM 0 HG2 PRO A 18 -0.256 10.652 -5.688 1.00 24.42 H new ATOM 0 HG3 PRO A 18 -1.614 9.565 -5.904 1.00 24.42 H new ATOM 0 HD2 PRO A 18 -1.930 12.042 -4.820 1.00 64.21 H new ATOM 0 HD3 PRO A 18 -2.945 10.697 -4.339 1.00 64.21 H new ATOM 288 N ALA A 19 2.084 9.736 -2.426 1.00 51.03 N ATOM 289 CA ALA A 19 3.475 10.155 -2.311 1.00 2.12 C ATOM 290 C ALA A 19 4.366 8.992 -1.888 1.00 33.40 C ATOM 291 O ALA A 19 3.882 7.889 -1.634 1.00 10.13 O ATOM 292 CB ALA A 19 3.600 11.304 -1.322 1.00 11.35 C ATOM 0 H ALA A 19 1.918 8.757 -2.193 1.00 51.03 H new ATOM 0 HA ALA A 19 3.808 10.496 -3.291 1.00 2.12 H new ATOM 0 HB1 ALA A 19 4.644 11.607 -1.246 1.00 11.35 H new ATOM 0 HB2 ALA A 19 3.002 12.147 -1.667 1.00 11.35 H new ATOM 0 HB3 ALA A 19 3.243 10.982 -0.344 1.00 11.35 H new ATOM 298 N GLU A 20 5.669 9.245 -1.816 1.00 13.32 N ATOM 299 CA GLU A 20 6.626 8.217 -1.425 1.00 51.11 C ATOM 300 C GLU A 20 7.659 8.777 -0.451 1.00 52.24 C ATOM 301 O GLU A 20 8.027 8.122 0.522 1.00 24.45 O ATOM 302 CB GLU A 20 7.329 7.648 -2.659 1.00 74.33 C ATOM 303 CG GLU A 20 7.510 6.140 -2.615 1.00 25.23 C ATOM 304 CD GLU A 20 8.565 5.709 -1.614 1.00 62.21 C ATOM 305 OE1 GLU A 20 9.597 6.404 -1.504 1.00 12.31 O ATOM 306 OE2 GLU A 20 8.360 4.677 -0.942 1.00 33.21 O ATOM 0 H GLU A 20 6.086 10.153 -2.023 1.00 13.32 H new ATOM 0 HA GLU A 20 6.078 7.417 -0.926 1.00 51.11 H new ATOM 0 HB2 GLU A 20 6.755 7.911 -3.547 1.00 74.33 H new ATOM 0 HB3 GLU A 20 8.306 8.120 -2.760 1.00 74.33 H new ATOM 0 HG2 GLU A 20 6.560 5.671 -2.361 1.00 25.23 H new ATOM 0 HG3 GLU A 20 7.787 5.782 -3.606 1.00 25.23 H new ATOM 313 N GLU A 21 8.121 9.993 -0.723 1.00 45.44 N ATOM 314 CA GLU A 21 9.113 10.641 0.128 1.00 72.12 C ATOM 315 C GLU A 21 8.946 12.158 0.100 1.00 21.53 C ATOM 316 O GLU A 21 8.830 12.761 -0.966 1.00 45.42 O ATOM 317 CB GLU A 21 10.526 10.264 -0.320 1.00 64.03 C ATOM 318 CG GLU A 21 11.620 10.864 0.547 1.00 21.01 C ATOM 319 CD GLU A 21 12.995 10.320 0.212 1.00 62.14 C ATOM 320 OE1 GLU A 21 13.633 10.851 -0.721 1.00 54.25 O ATOM 321 OE2 GLU A 21 13.434 9.362 0.883 1.00 53.40 O ATOM 0 H GLU A 21 7.825 10.549 -1.525 1.00 45.44 H new ATOM 0 HA GLU A 21 8.959 10.295 1.150 1.00 72.12 H new ATOM 0 HB2 GLU A 21 10.623 9.178 -0.313 1.00 64.03 H new ATOM 0 HB3 GLU A 21 10.671 10.590 -1.350 1.00 64.03 H new ATOM 0 HG2 GLU A 21 11.622 11.947 0.424 1.00 21.01 H new ATOM 0 HG3 GLU A 21 11.399 10.662 1.595 1.00 21.01 H new ATOM 328 N VAL A 22 8.934 12.767 1.282 1.00 41.15 N ATOM 329 CA VAL A 22 8.782 14.213 1.394 1.00 21.22 C ATOM 330 C VAL A 22 9.807 14.800 2.358 1.00 20.43 C ATOM 331 O VAL A 22 10.028 14.265 3.445 1.00 5.34 O ATOM 332 CB VAL A 22 7.368 14.593 1.872 1.00 70.02 C ATOM 333 CG1 VAL A 22 7.152 16.094 1.759 1.00 11.45 C ATOM 334 CG2 VAL A 22 6.316 13.834 1.078 1.00 71.35 C ATOM 0 H VAL A 22 9.028 12.282 2.174 1.00 41.15 H new ATOM 0 HA VAL A 22 8.945 14.627 0.399 1.00 21.22 H new ATOM 0 HB VAL A 22 7.270 14.314 2.921 1.00 70.02 H new ATOM 0 HG11 VAL A 22 6.148 16.344 2.101 1.00 11.45 H new ATOM 0 HG12 VAL A 22 7.885 16.615 2.375 1.00 11.45 H new ATOM 0 HG13 VAL A 22 7.268 16.401 0.720 1.00 11.45 H new ATOM 0 HG21 VAL A 22 5.323 14.115 1.429 1.00 71.35 H new ATOM 0 HG22 VAL A 22 6.410 14.080 0.020 1.00 71.35 H new ATOM 0 HG23 VAL A 22 6.460 12.762 1.215 1.00 71.35 H new ATOM 344 N ILE A 23 10.429 15.902 1.953 1.00 21.40 N ATOM 345 CA ILE A 23 11.430 16.562 2.782 1.00 53.01 C ATOM 346 C ILE A 23 11.074 18.027 3.010 1.00 2.24 C ATOM 347 O ILE A 23 10.656 18.727 2.087 1.00 4.41 O ATOM 348 CB ILE A 23 12.831 16.478 2.148 1.00 54.35 C ATOM 349 CG1 ILE A 23 13.232 15.017 1.936 1.00 2.05 C ATOM 350 CG2 ILE A 23 13.851 17.193 3.021 1.00 61.12 C ATOM 351 CD1 ILE A 23 14.427 14.844 1.024 1.00 15.34 C ATOM 0 H ILE A 23 10.258 16.357 1.056 1.00 21.40 H new ATOM 0 HA ILE A 23 11.442 16.040 3.739 1.00 53.01 H new ATOM 0 HB ILE A 23 12.805 16.972 1.177 1.00 54.35 H new ATOM 0 HG12 ILE A 23 13.455 14.566 2.903 1.00 2.05 H new ATOM 0 HG13 ILE A 23 12.385 14.473 1.518 1.00 2.05 H new ATOM 0 HG21 ILE A 23 14.836 17.125 2.560 1.00 61.12 H new ATOM 0 HG22 ILE A 23 13.570 18.241 3.124 1.00 61.12 H new ATOM 0 HG23 ILE A 23 13.878 16.726 4.006 1.00 61.12 H new ATOM 0 HD11 ILE A 23 14.654 13.783 0.919 1.00 15.34 H new ATOM 0 HD12 ILE A 23 14.201 15.265 0.044 1.00 15.34 H new ATOM 0 HD13 ILE A 23 15.288 15.359 1.450 1.00 15.34 H new ATOM 363 N LEU A 24 11.244 18.486 4.245 1.00 21.25 N ATOM 364 CA LEU A 24 10.943 19.869 4.596 1.00 1.50 C ATOM 365 C LEU A 24 11.620 20.259 5.906 1.00 21.13 C ATOM 366 O LEU A 24 11.992 19.411 6.718 1.00 73.44 O ATOM 367 CB LEU A 24 9.431 20.070 4.711 1.00 71.21 C ATOM 368 CG LEU A 24 8.637 18.886 5.264 1.00 21.31 C ATOM 369 CD1 LEU A 24 7.441 19.373 6.067 1.00 2.31 C ATOM 370 CD2 LEU A 24 8.186 17.971 4.134 1.00 3.43 C ATOM 0 H LEU A 24 11.589 17.920 5.020 1.00 21.25 H new ATOM 0 HA LEU A 24 11.329 20.510 3.804 1.00 1.50 H new ATOM 0 HB2 LEU A 24 9.247 20.935 5.349 1.00 71.21 H new ATOM 0 HB3 LEU A 24 9.041 20.314 3.723 1.00 71.21 H new ATOM 0 HG LEU A 24 9.287 18.317 5.928 1.00 21.31 H new ATOM 0 HD11 LEU A 24 6.888 18.516 6.452 1.00 2.31 H new ATOM 0 HD12 LEU A 24 7.787 19.986 6.899 1.00 2.31 H new ATOM 0 HD13 LEU A 24 6.789 19.966 5.426 1.00 2.31 H new ATOM 0 HD21 LEU A 24 7.623 17.134 4.546 1.00 3.43 H new ATOM 0 HD22 LEU A 24 7.553 18.530 3.444 1.00 3.43 H new ATOM 0 HD23 LEU A 24 9.059 17.593 3.601 1.00 3.43 H new ATOM 382 N PRO A 25 11.783 21.573 6.121 1.00 61.13 N ATOM 383 CA PRO A 25 12.413 22.105 7.333 1.00 63.05 C ATOM 384 C PRO A 25 11.545 21.911 8.571 1.00 54.14 C ATOM 385 O PRO A 25 10.357 22.235 8.564 1.00 30.51 O ATOM 386 CB PRO A 25 12.577 23.595 7.022 1.00 21.12 C ATOM 387 CG PRO A 25 11.518 23.891 6.017 1.00 2.21 C ATOM 388 CD PRO A 25 11.364 22.640 5.197 1.00 43.32 C ATOM 0 HA PRO A 25 13.350 21.598 7.562 1.00 63.05 H new ATOM 0 HB2 PRO A 25 12.453 24.203 7.918 1.00 21.12 H new ATOM 0 HB3 PRO A 25 13.570 23.810 6.626 1.00 21.12 H new ATOM 0 HG2 PRO A 25 10.580 24.156 6.505 1.00 2.21 H new ATOM 0 HG3 PRO A 25 11.801 24.736 5.390 1.00 2.21 H new ATOM 0 HD2 PRO A 25 10.335 22.502 4.864 1.00 43.32 H new ATOM 0 HD3 PRO A 25 11.988 22.666 4.304 1.00 43.32 H new ATOM 396 N SER A 26 12.145 21.382 9.632 1.00 73.30 N ATOM 397 CA SER A 26 11.424 21.142 10.877 1.00 63.31 C ATOM 398 C SER A 26 12.232 21.630 12.075 1.00 5.51 C ATOM 399 O SER A 26 13.243 22.317 11.920 1.00 52.42 O ATOM 400 CB SER A 26 11.112 19.652 11.031 1.00 23.03 C ATOM 401 OG SER A 26 10.173 19.433 12.069 1.00 32.52 O ATOM 0 H SER A 26 13.128 21.111 9.655 1.00 73.30 H new ATOM 0 HA SER A 26 10.488 21.700 10.840 1.00 63.31 H new ATOM 0 HB2 SER A 26 10.719 19.260 10.093 1.00 23.03 H new ATOM 0 HB3 SER A 26 12.030 19.105 11.245 1.00 23.03 H new ATOM 0 HG SER A 26 9.639 18.637 11.865 1.00 32.52 H new ATOM 407 N THR A 27 11.780 21.271 13.272 1.00 10.25 N ATOM 408 CA THR A 27 12.459 21.673 14.498 1.00 14.01 C ATOM 409 C THR A 27 13.953 21.384 14.419 1.00 21.43 C ATOM 410 O THR A 27 14.779 22.290 14.534 1.00 21.10 O ATOM 411 CB THR A 27 11.872 20.953 15.727 1.00 51.10 C ATOM 412 OG1 THR A 27 11.067 19.846 15.308 1.00 72.41 O ATOM 413 CG2 THR A 27 11.034 21.908 16.564 1.00 30.54 C ATOM 0 H THR A 27 10.946 20.702 13.419 1.00 10.25 H new ATOM 0 HA THR A 27 12.305 22.747 14.607 1.00 14.01 H new ATOM 0 HB THR A 27 12.699 20.590 16.337 1.00 51.10 H new ATOM 0 HG1 THR A 27 10.699 19.393 16.095 1.00 72.41 H new ATOM 0 HG21 THR A 27 10.630 21.377 17.426 1.00 30.54 H new ATOM 0 HG22 THR A 27 11.657 22.735 16.906 1.00 30.54 H new ATOM 0 HG23 THR A 27 10.214 22.297 15.960 1.00 30.54 H new ATOM 421 N THR A 28 14.296 20.114 14.222 1.00 10.30 N ATOM 422 CA THR A 28 15.692 19.705 14.128 1.00 14.32 C ATOM 423 C THR A 28 16.373 20.346 12.924 1.00 14.13 C ATOM 424 O THR A 28 17.599 20.365 12.830 1.00 41.20 O ATOM 425 CB THR A 28 15.822 18.174 14.023 1.00 45.11 C ATOM 426 OG1 THR A 28 14.632 17.619 13.453 1.00 32.34 O ATOM 427 CG2 THR A 28 16.072 17.557 15.391 1.00 40.02 C ATOM 0 H THR A 28 13.626 19.351 14.125 1.00 10.30 H new ATOM 0 HA THR A 28 16.183 20.042 15.041 1.00 14.32 H new ATOM 0 HB THR A 28 16.672 17.947 13.379 1.00 45.11 H new ATOM 0 HG1 THR A 28 14.724 16.645 13.388 1.00 32.34 H new ATOM 0 HG21 THR A 28 16.160 16.475 15.292 1.00 40.02 H new ATOM 0 HG22 THR A 28 16.995 17.960 15.809 1.00 40.02 H new ATOM 0 HG23 THR A 28 15.240 17.794 16.054 1.00 40.02 H new ATOM 435 N GLY A 29 15.568 20.871 12.005 1.00 42.20 N ATOM 436 CA GLY A 29 16.112 21.507 10.819 1.00 21.40 C ATOM 437 C GLY A 29 15.760 20.760 9.548 1.00 61.41 C ATOM 438 O GLY A 29 15.348 21.365 8.559 1.00 44.40 O ATOM 0 H GLY A 29 14.550 20.867 12.061 1.00 42.20 H new ATOM 0 HA2 GLY A 29 15.736 22.528 10.753 1.00 21.40 H new ATOM 0 HA3 GLY A 29 17.196 21.572 10.910 1.00 21.40 H new ATOM 442 N GLN A 30 15.924 19.441 9.574 1.00 72.23 N ATOM 443 CA GLN A 30 15.622 18.611 8.413 1.00 4.31 C ATOM 444 C GLN A 30 14.573 17.559 8.754 1.00 31.53 C ATOM 445 O GLN A 30 14.660 16.891 9.786 1.00 42.21 O ATOM 446 CB GLN A 30 16.894 17.933 7.900 1.00 0.42 C ATOM 447 CG GLN A 30 17.293 18.369 6.499 1.00 21.25 C ATOM 448 CD GLN A 30 18.622 17.784 6.063 1.00 51.31 C ATOM 449 OE1 GLN A 30 19.166 16.893 6.716 1.00 52.21 O ATOM 450 NE2 GLN A 30 19.153 18.284 4.953 1.00 32.00 N ATOM 0 H GLN A 30 16.264 18.925 10.385 1.00 72.23 H new ATOM 0 HA GLN A 30 15.222 19.256 7.631 1.00 4.31 H new ATOM 0 HB2 GLN A 30 17.713 18.149 8.586 1.00 0.42 H new ATOM 0 HB3 GLN A 30 16.748 16.853 7.908 1.00 0.42 H new ATOM 0 HG2 GLN A 30 16.518 18.067 5.794 1.00 21.25 H new ATOM 0 HG3 GLN A 30 17.350 19.457 6.463 1.00 21.25 H new ATOM 0 HE21 GLN A 30 18.668 19.022 4.443 1.00 32.00 H new ATOM 0 HE22 GLN A 30 20.046 17.930 4.611 1.00 32.00 H new ATOM 459 N LEU A 31 13.581 17.415 7.882 1.00 21.13 N ATOM 460 CA LEU A 31 12.514 16.443 8.091 1.00 35.11 C ATOM 461 C LEU A 31 12.381 15.513 6.889 1.00 24.45 C ATOM 462 O LEU A 31 12.553 15.931 5.745 1.00 10.45 O ATOM 463 CB LEU A 31 11.186 17.160 8.344 1.00 42.14 C ATOM 464 CG LEU A 31 10.285 16.546 9.415 1.00 32.02 C ATOM 465 CD1 LEU A 31 9.815 15.163 8.990 1.00 45.42 C ATOM 466 CD2 LEU A 31 11.013 16.477 10.749 1.00 23.24 C ATOM 0 H LEU A 31 13.494 17.959 7.024 1.00 21.13 H new ATOM 0 HA LEU A 31 12.769 15.843 8.965 1.00 35.11 H new ATOM 0 HB2 LEU A 31 11.401 18.191 8.626 1.00 42.14 H new ATOM 0 HB3 LEU A 31 10.631 17.195 7.407 1.00 42.14 H new ATOM 0 HG LEU A 31 9.409 17.184 9.534 1.00 32.02 H new ATOM 0 HD11 LEU A 31 9.175 14.742 9.765 1.00 45.42 H new ATOM 0 HD12 LEU A 31 9.254 15.240 8.058 1.00 45.42 H new ATOM 0 HD13 LEU A 31 10.679 14.515 8.841 1.00 45.42 H new ATOM 0 HD21 LEU A 31 10.356 16.037 11.500 1.00 23.24 H new ATOM 0 HD22 LEU A 31 11.907 15.862 10.644 1.00 23.24 H new ATOM 0 HD23 LEU A 31 11.298 17.482 11.060 1.00 23.24 H new ATOM 478 N GLY A 32 12.073 14.247 7.158 1.00 51.41 N ATOM 479 CA GLY A 32 11.921 13.278 6.089 1.00 53.13 C ATOM 480 C GLY A 32 10.934 12.181 6.437 1.00 41.13 C ATOM 481 O GLY A 32 11.159 11.408 7.368 1.00 30.22 O ATOM 0 H GLY A 32 11.926 13.876 8.097 1.00 51.41 H new ATOM 0 HA2 GLY A 32 11.589 13.788 5.185 1.00 53.13 H new ATOM 0 HA3 GLY A 32 12.891 12.833 5.866 1.00 53.13 H new ATOM 485 N ILE A 33 9.838 12.114 5.688 1.00 1.25 N ATOM 486 CA ILE A 33 8.814 11.104 5.924 1.00 52.23 C ATOM 487 C ILE A 33 8.655 10.190 4.713 1.00 15.43 C ATOM 488 O ILE A 33 8.790 10.627 3.570 1.00 41.34 O ATOM 489 CB ILE A 33 7.453 11.748 6.250 1.00 60.35 C ATOM 490 CG1 ILE A 33 7.583 12.686 7.451 1.00 52.30 C ATOM 491 CG2 ILE A 33 6.410 10.673 6.520 1.00 43.41 C ATOM 492 CD1 ILE A 33 6.349 13.526 7.698 1.00 71.30 C ATOM 0 H ILE A 33 9.637 12.747 4.914 1.00 1.25 H new ATOM 0 HA ILE A 33 9.142 10.515 6.780 1.00 52.23 H new ATOM 0 HB ILE A 33 7.129 12.333 5.390 1.00 60.35 H new ATOM 0 HG12 ILE A 33 7.795 12.095 8.342 1.00 52.30 H new ATOM 0 HG13 ILE A 33 8.437 13.346 7.296 1.00 52.30 H new ATOM 0 HG21 ILE A 33 5.454 11.143 6.749 1.00 43.41 H new ATOM 0 HG22 ILE A 33 6.302 10.041 5.638 1.00 43.41 H new ATOM 0 HG23 ILE A 33 6.726 10.064 7.366 1.00 43.41 H new ATOM 0 HD11 ILE A 33 6.513 14.167 8.564 1.00 71.30 H new ATOM 0 HD12 ILE A 33 6.148 14.144 6.823 1.00 71.30 H new ATOM 0 HD13 ILE A 33 5.496 12.874 7.885 1.00 71.30 H new ATOM 504 N LEU A 34 8.364 8.920 4.972 1.00 4.22 N ATOM 505 CA LEU A 34 8.184 7.943 3.904 1.00 41.53 C ATOM 506 C LEU A 34 7.046 6.982 4.231 1.00 24.23 C ATOM 507 O LEU A 34 6.477 7.027 5.322 1.00 71.34 O ATOM 508 CB LEU A 34 9.479 7.161 3.677 1.00 0.31 C ATOM 509 CG LEU A 34 10.574 7.887 2.894 1.00 14.44 C ATOM 510 CD1 LEU A 34 11.497 8.639 3.840 1.00 24.34 C ATOM 511 CD2 LEU A 34 11.364 6.903 2.044 1.00 14.22 C ATOM 0 H LEU A 34 8.248 8.543 5.912 1.00 4.22 H new ATOM 0 HA LEU A 34 7.928 8.482 2.992 1.00 41.53 H new ATOM 0 HB2 LEU A 34 9.883 6.877 4.649 1.00 0.31 H new ATOM 0 HB3 LEU A 34 9.235 6.238 3.151 1.00 0.31 H new ATOM 0 HG LEU A 34 10.101 8.610 2.230 1.00 14.44 H new ATOM 0 HD11 LEU A 34 12.270 9.149 3.265 1.00 24.34 H new ATOM 0 HD12 LEU A 34 10.921 9.372 4.404 1.00 24.34 H new ATOM 0 HD13 LEU A 34 11.963 7.935 4.530 1.00 24.34 H new ATOM 0 HD21 LEU A 34 12.139 7.437 1.494 1.00 14.22 H new ATOM 0 HD22 LEU A 34 11.827 6.155 2.688 1.00 14.22 H new ATOM 0 HD23 LEU A 34 10.693 6.410 1.340 1.00 14.22 H new ATOM 523 N SER A 35 6.722 6.111 3.281 1.00 51.34 N ATOM 524 CA SER A 35 5.651 5.139 3.467 1.00 1.33 C ATOM 525 C SER A 35 6.035 4.104 4.521 1.00 55.42 C ATOM 526 O SER A 35 5.238 3.771 5.397 1.00 22.51 O ATOM 527 CB SER A 35 5.330 4.442 2.144 1.00 23.20 C ATOM 528 OG SER A 35 6.102 3.264 1.988 1.00 23.21 O ATOM 0 H SER A 35 7.186 6.058 2.374 1.00 51.34 H new ATOM 0 HA SER A 35 4.765 5.672 3.812 1.00 1.33 H new ATOM 0 HB2 SER A 35 4.269 4.193 2.109 1.00 23.20 H new ATOM 0 HB3 SER A 35 5.526 5.121 1.314 1.00 23.20 H new ATOM 0 HG SER A 35 6.862 3.447 1.396 1.00 23.21 H new ATOM 534 N ASN A 36 7.261 3.601 4.427 1.00 32.44 N ATOM 535 CA ASN A 36 7.751 2.603 5.371 1.00 22.15 C ATOM 536 C ASN A 36 7.889 3.198 6.769 1.00 5.43 C ATOM 537 O ASN A 36 7.981 2.472 7.759 1.00 25.32 O ATOM 538 CB ASN A 36 9.099 2.049 4.906 1.00 70.55 C ATOM 539 CG ASN A 36 9.664 1.020 5.866 1.00 4.31 C ATOM 540 OD1 ASN A 36 9.284 -0.150 5.835 1.00 72.13 O ATOM 541 ND2 ASN A 36 10.578 1.454 6.726 1.00 2.24 N ATOM 0 H ASN A 36 7.933 3.868 3.708 1.00 32.44 H new ATOM 0 HA ASN A 36 7.026 1.790 5.411 1.00 22.15 H new ATOM 0 HB2 ASN A 36 8.983 1.597 3.921 1.00 70.55 H new ATOM 0 HB3 ASN A 36 9.808 2.870 4.799 1.00 70.55 H new ATOM 0 HD21 ASN A 36 10.995 0.808 7.397 1.00 2.24 H new ATOM 0 HD22 ASN A 36 10.863 2.433 6.716 1.00 2.24 H new ATOM 548 N HIS A 37 7.903 4.526 6.843 1.00 72.44 N ATOM 549 CA HIS A 37 8.029 5.220 8.119 1.00 35.43 C ATOM 550 C HIS A 37 7.040 4.663 9.140 1.00 42.12 C ATOM 551 O HIS A 37 6.042 4.043 8.776 1.00 34.54 O ATOM 552 CB HIS A 37 7.797 6.720 7.934 1.00 63.55 C ATOM 553 CG HIS A 37 8.549 7.567 8.913 1.00 12.32 C ATOM 554 ND1 HIS A 37 9.879 7.896 8.759 1.00 51.44 N ATOM 555 CD2 HIS A 37 8.148 8.156 10.065 1.00 64.35 C ATOM 556 CE1 HIS A 37 10.265 8.649 9.773 1.00 13.14 C ATOM 557 NE2 HIS A 37 9.233 8.822 10.580 1.00 21.30 N ATOM 0 H HIS A 37 7.829 5.142 6.034 1.00 72.44 H new ATOM 0 HA HIS A 37 9.040 5.060 8.493 1.00 35.43 H new ATOM 0 HB2 HIS A 37 8.089 7.002 6.922 1.00 63.55 H new ATOM 0 HB3 HIS A 37 6.731 6.929 8.029 1.00 63.55 H new ATOM 0 HD2 HIS A 37 7.160 8.110 10.498 1.00 64.35 H new ATOM 0 HE1 HIS A 37 11.255 9.054 9.918 1.00 13.14 H new ATOM 0 HE2 HIS A 37 9.241 9.362 11.445 1.00 21.30 H new ATOM 565 N ALA A 38 7.326 4.889 10.418 1.00 45.02 N ATOM 566 CA ALA A 38 6.462 4.411 11.490 1.00 5.41 C ATOM 567 C ALA A 38 5.512 5.508 11.958 1.00 34.35 C ATOM 568 O ALA A 38 5.693 6.689 11.662 1.00 60.32 O ATOM 569 CB ALA A 38 7.299 3.903 12.655 1.00 71.52 C ATOM 0 H ALA A 38 8.149 5.400 10.736 1.00 45.02 H new ATOM 0 HA ALA A 38 5.862 3.588 11.101 1.00 5.41 H new ATOM 0 HB1 ALA A 38 6.641 3.549 13.449 1.00 71.52 H new ATOM 0 HB2 ALA A 38 7.933 3.084 12.317 1.00 71.52 H new ATOM 0 HB3 ALA A 38 7.923 4.712 13.035 1.00 71.52 H new ATOM 575 N PRO A 39 4.472 5.110 12.707 1.00 2.44 N ATOM 576 CA PRO A 39 3.472 6.045 13.232 1.00 31.54 C ATOM 577 C PRO A 39 4.038 6.948 14.323 1.00 61.24 C ATOM 578 O PRO A 39 4.203 6.527 15.468 1.00 20.24 O ATOM 579 CB PRO A 39 2.394 5.123 13.808 1.00 54.00 C ATOM 580 CG PRO A 39 3.110 3.858 14.133 1.00 4.23 C ATOM 581 CD PRO A 39 4.194 3.719 13.100 1.00 73.42 C ATOM 0 HA PRO A 39 3.106 6.725 12.462 1.00 31.54 H new ATOM 0 HB2 PRO A 39 1.935 5.557 14.696 1.00 54.00 H new ATOM 0 HB3 PRO A 39 1.594 4.951 13.088 1.00 54.00 H new ATOM 0 HG2 PRO A 39 3.531 3.895 15.138 1.00 4.23 H new ATOM 0 HG3 PRO A 39 2.431 3.006 14.103 1.00 4.23 H new ATOM 0 HD2 PRO A 39 5.079 3.233 13.510 1.00 73.42 H new ATOM 0 HD3 PRO A 39 3.865 3.120 12.251 1.00 73.42 H new ATOM 589 N LEU A 40 4.334 8.191 13.960 1.00 52.01 N ATOM 590 CA LEU A 40 4.881 9.155 14.908 1.00 25.00 C ATOM 591 C LEU A 40 4.298 10.544 14.670 1.00 2.24 C ATOM 592 O LEU A 40 3.922 10.888 13.549 1.00 62.01 O ATOM 593 CB LEU A 40 6.406 9.203 14.793 1.00 1.04 C ATOM 594 CG LEU A 40 7.133 7.866 14.945 1.00 50.33 C ATOM 595 CD1 LEU A 40 7.866 7.509 13.661 1.00 5.32 C ATOM 596 CD2 LEU A 40 8.101 7.915 16.118 1.00 14.22 C ATOM 0 H LEU A 40 4.204 8.555 13.016 1.00 52.01 H new ATOM 0 HA LEU A 40 4.608 8.834 15.913 1.00 25.00 H new ATOM 0 HB2 LEU A 40 6.664 9.626 13.822 1.00 1.04 H new ATOM 0 HB3 LEU A 40 6.786 9.889 15.550 1.00 1.04 H new ATOM 0 HG LEU A 40 6.392 7.092 15.144 1.00 50.33 H new ATOM 0 HD11 LEU A 40 8.378 6.555 13.787 1.00 5.32 H new ATOM 0 HD12 LEU A 40 7.150 7.431 12.843 1.00 5.32 H new ATOM 0 HD13 LEU A 40 8.597 8.285 13.431 1.00 5.32 H new ATOM 0 HD21 LEU A 40 8.609 6.955 16.211 1.00 14.22 H new ATOM 0 HD22 LEU A 40 8.837 8.701 15.949 1.00 14.22 H new ATOM 0 HD23 LEU A 40 7.551 8.124 17.035 1.00 14.22 H new ATOM 608 N LEU A 41 4.228 11.340 15.732 1.00 74.12 N ATOM 609 CA LEU A 41 3.692 12.694 15.639 1.00 63.22 C ATOM 610 C LEU A 41 4.783 13.729 15.894 1.00 51.22 C ATOM 611 O LEU A 41 5.634 13.549 16.765 1.00 4.21 O ATOM 612 CB LEU A 41 2.551 12.882 16.639 1.00 33.25 C ATOM 613 CG LEU A 41 2.936 12.815 18.118 1.00 41.53 C ATOM 614 CD1 LEU A 41 2.954 14.209 18.728 1.00 64.54 C ATOM 615 CD2 LEU A 41 1.978 11.911 18.879 1.00 60.34 C ATOM 0 H LEU A 41 4.535 11.071 16.667 1.00 74.12 H new ATOM 0 HA LEU A 41 3.308 12.838 14.629 1.00 63.22 H new ATOM 0 HB2 LEU A 41 2.084 13.848 16.449 1.00 33.25 H new ATOM 0 HB3 LEU A 41 1.796 12.120 16.446 1.00 33.25 H new ATOM 0 HG LEU A 41 3.938 12.394 18.194 1.00 41.53 H new ATOM 0 HD11 LEU A 41 3.230 14.142 19.780 1.00 64.54 H new ATOM 0 HD12 LEU A 41 3.681 14.827 18.201 1.00 64.54 H new ATOM 0 HD13 LEU A 41 1.964 14.657 18.640 1.00 64.54 H new ATOM 0 HD21 LEU A 41 2.268 11.876 19.929 1.00 60.34 H new ATOM 0 HD22 LEU A 41 0.964 12.303 18.795 1.00 60.34 H new ATOM 0 HD23 LEU A 41 2.015 10.906 18.459 1.00 60.34 H new ATOM 627 N THR A 42 4.750 14.816 15.129 1.00 3.30 N ATOM 628 CA THR A 42 5.735 15.881 15.272 1.00 13.44 C ATOM 629 C THR A 42 5.123 17.241 14.956 1.00 1.42 C ATOM 630 O THR A 42 3.974 17.331 14.524 1.00 23.43 O ATOM 631 CB THR A 42 6.949 15.651 14.353 1.00 3.24 C ATOM 632 OG1 THR A 42 6.554 14.907 13.196 1.00 72.40 O ATOM 633 CG2 THR A 42 8.052 14.905 15.090 1.00 13.51 C ATOM 0 H THR A 42 4.052 14.982 14.404 1.00 3.30 H new ATOM 0 HA THR A 42 6.067 15.867 16.310 1.00 13.44 H new ATOM 0 HB THR A 42 7.333 16.624 14.045 1.00 3.24 H new ATOM 0 HG1 THR A 42 5.651 15.175 12.927 1.00 72.40 H new ATOM 0 HG21 THR A 42 8.899 14.754 14.421 1.00 13.51 H new ATOM 0 HG22 THR A 42 8.371 15.488 15.954 1.00 13.51 H new ATOM 0 HG23 THR A 42 7.677 13.938 15.424 1.00 13.51 H new ATOM 641 N ALA A 43 5.899 18.299 15.174 1.00 75.34 N ATOM 642 CA ALA A 43 5.433 19.654 14.909 1.00 44.51 C ATOM 643 C ALA A 43 6.231 20.298 13.780 1.00 3.00 C ATOM 644 O ALA A 43 7.394 19.959 13.556 1.00 70.53 O ATOM 645 CB ALA A 43 5.525 20.500 16.171 1.00 72.41 C ATOM 0 H ALA A 43 6.852 18.243 15.533 1.00 75.34 H new ATOM 0 HA ALA A 43 4.390 19.598 14.597 1.00 44.51 H new ATOM 0 HB1 ALA A 43 5.174 21.510 15.959 1.00 72.41 H new ATOM 0 HB2 ALA A 43 4.906 20.057 16.952 1.00 72.41 H new ATOM 0 HB3 ALA A 43 6.561 20.540 16.508 1.00 72.41 H new ATOM 651 N LEU A 44 5.600 21.228 13.071 1.00 24.24 N ATOM 652 CA LEU A 44 6.252 21.919 11.964 1.00 12.01 C ATOM 653 C LEU A 44 5.999 23.422 12.036 1.00 21.41 C ATOM 654 O LEU A 44 5.045 23.870 12.670 1.00 33.13 O ATOM 655 CB LEU A 44 5.750 21.369 10.628 1.00 53.32 C ATOM 656 CG LEU A 44 6.564 20.224 10.025 1.00 74.11 C ATOM 657 CD1 LEU A 44 7.994 20.667 9.759 1.00 52.51 C ATOM 658 CD2 LEU A 44 6.542 19.012 10.945 1.00 74.00 C ATOM 0 H LEU A 44 4.638 21.521 13.243 1.00 24.24 H new ATOM 0 HA LEU A 44 7.325 21.746 12.041 1.00 12.01 H new ATOM 0 HB2 LEU A 44 4.723 21.027 10.761 1.00 53.32 H new ATOM 0 HB3 LEU A 44 5.723 22.187 9.908 1.00 53.32 H new ATOM 0 HG LEU A 44 6.110 19.943 9.075 1.00 74.11 H new ATOM 0 HD11 LEU A 44 8.558 19.839 9.330 1.00 52.51 H new ATOM 0 HD12 LEU A 44 7.992 21.504 9.061 1.00 52.51 H new ATOM 0 HD13 LEU A 44 8.459 20.976 10.695 1.00 52.51 H new ATOM 0 HD21 LEU A 44 7.126 18.207 10.500 1.00 74.00 H new ATOM 0 HD22 LEU A 44 6.970 19.280 11.911 1.00 74.00 H new ATOM 0 HD23 LEU A 44 5.513 18.680 11.084 1.00 74.00 H new ATOM 670 N GLU A 45 6.860 24.193 11.380 1.00 51.41 N ATOM 671 CA GLU A 45 6.728 25.646 11.369 1.00 22.40 C ATOM 672 C GLU A 45 6.389 26.151 9.970 1.00 71.44 C ATOM 673 O GLU A 45 6.364 25.382 9.008 1.00 62.31 O ATOM 674 CB GLU A 45 8.021 26.301 11.860 1.00 33.22 C ATOM 675 CG GLU A 45 7.921 26.863 13.268 1.00 23.13 C ATOM 676 CD GLU A 45 9.105 27.738 13.632 1.00 20.12 C ATOM 677 OE1 GLU A 45 10.252 27.254 13.540 1.00 62.34 O ATOM 678 OE2 GLU A 45 8.883 28.908 14.009 1.00 24.34 O ATOM 0 H GLU A 45 7.655 23.837 10.850 1.00 51.41 H new ATOM 0 HA GLU A 45 5.914 25.916 12.041 1.00 22.40 H new ATOM 0 HB2 GLU A 45 8.826 25.567 11.827 1.00 33.22 H new ATOM 0 HB3 GLU A 45 8.294 27.104 11.176 1.00 33.22 H new ATOM 0 HG2 GLU A 45 7.003 27.444 13.359 1.00 23.13 H new ATOM 0 HG3 GLU A 45 7.850 26.040 13.979 1.00 23.13 H new ATOM 685 N THR A 46 6.127 27.450 9.863 1.00 70.31 N ATOM 686 CA THR A 46 5.787 28.058 8.583 1.00 43.30 C ATOM 687 C THR A 46 6.819 27.709 7.517 1.00 64.11 C ATOM 688 O THR A 46 8.012 27.611 7.802 1.00 21.01 O ATOM 689 CB THR A 46 5.685 29.591 8.699 1.00 33.12 C ATOM 690 OG1 THR A 46 5.529 30.171 7.400 1.00 44.54 O ATOM 691 CG2 THR A 46 6.921 30.166 9.373 1.00 43.42 C ATOM 0 H THR A 46 6.144 28.101 10.648 1.00 70.31 H new ATOM 0 HA THR A 46 4.816 27.657 8.291 1.00 43.30 H new ATOM 0 HB THR A 46 4.814 29.830 9.309 1.00 33.12 H new ATOM 0 HG1 THR A 46 5.463 31.145 7.483 1.00 44.54 H new ATOM 0 HG21 THR A 46 6.826 31.250 9.444 1.00 43.42 H new ATOM 0 HG22 THR A 46 7.019 29.744 10.373 1.00 43.42 H new ATOM 0 HG23 THR A 46 7.805 29.917 8.786 1.00 43.42 H new ATOM 699 N GLY A 47 6.352 27.522 6.286 1.00 44.40 N ATOM 700 CA GLY A 47 7.249 27.186 5.195 1.00 11.44 C ATOM 701 C GLY A 47 6.628 26.212 4.214 1.00 42.32 C ATOM 702 O GLY A 47 5.569 25.643 4.478 1.00 24.35 O ATOM 0 H GLY A 47 5.369 27.597 6.025 1.00 44.40 H new ATOM 0 HA2 GLY A 47 7.532 28.097 4.668 1.00 11.44 H new ATOM 0 HA3 GLY A 47 8.164 26.755 5.601 1.00 11.44 H new ATOM 706 N VAL A 48 7.287 26.021 3.075 1.00 24.14 N ATOM 707 CA VAL A 48 6.794 25.109 2.050 1.00 12.41 C ATOM 708 C VAL A 48 7.527 23.774 2.103 1.00 33.31 C ATOM 709 O VAL A 48 8.670 23.699 2.551 1.00 4.32 O ATOM 710 CB VAL A 48 6.949 25.712 0.641 1.00 2.33 C ATOM 711 CG1 VAL A 48 6.248 27.059 0.556 1.00 12.33 C ATOM 712 CG2 VAL A 48 8.421 25.844 0.278 1.00 15.20 C ATOM 0 H VAL A 48 8.164 26.486 2.839 1.00 24.14 H new ATOM 0 HA VAL A 48 5.736 24.947 2.253 1.00 12.41 H new ATOM 0 HB VAL A 48 6.479 25.040 -0.077 1.00 2.33 H new ATOM 0 HG11 VAL A 48 6.369 27.469 -0.447 1.00 12.33 H new ATOM 0 HG12 VAL A 48 5.187 26.931 0.771 1.00 12.33 H new ATOM 0 HG13 VAL A 48 6.685 27.743 1.283 1.00 12.33 H new ATOM 0 HG21 VAL A 48 8.513 26.272 -0.720 1.00 15.20 H new ATOM 0 HG22 VAL A 48 8.916 26.495 0.998 1.00 15.20 H new ATOM 0 HG23 VAL A 48 8.890 24.860 0.296 1.00 15.20 H new ATOM 722 N MET A 49 6.860 22.720 1.642 1.00 1.50 N ATOM 723 CA MET A 49 7.449 21.387 1.635 1.00 24.44 C ATOM 724 C MET A 49 7.511 20.827 0.218 1.00 61.41 C ATOM 725 O MET A 49 6.694 21.177 -0.634 1.00 45.20 O ATOM 726 CB MET A 49 6.644 20.445 2.533 1.00 1.54 C ATOM 727 CG MET A 49 5.141 20.560 2.341 1.00 53.23 C ATOM 728 SD MET A 49 4.347 18.959 2.103 1.00 34.13 S ATOM 729 CE MET A 49 2.618 19.425 2.170 1.00 64.34 C ATOM 0 H MET A 49 5.912 22.764 1.269 1.00 1.50 H new ATOM 0 HA MET A 49 8.465 21.465 2.021 1.00 24.44 H new ATOM 0 HB2 MET A 49 6.950 19.418 2.335 1.00 1.54 H new ATOM 0 HB3 MET A 49 6.886 20.654 3.575 1.00 1.54 H new ATOM 0 HG2 MET A 49 4.704 21.052 3.210 1.00 53.23 H new ATOM 0 HG3 MET A 49 4.936 21.195 1.479 1.00 53.23 H new ATOM 0 HE1 MET A 49 2.015 18.550 2.412 1.00 64.34 H new ATOM 0 HE2 MET A 49 2.476 20.187 2.936 1.00 64.34 H new ATOM 0 HE3 MET A 49 2.310 19.822 1.202 1.00 64.34 H new ATOM 739 N ARG A 50 8.484 19.955 -0.028 1.00 3.54 N ATOM 740 CA ARG A 50 8.653 19.349 -1.343 1.00 31.35 C ATOM 741 C ARG A 50 8.252 17.877 -1.317 1.00 72.44 C ATOM 742 O ARG A 50 8.871 17.065 -0.629 1.00 42.13 O ATOM 743 CB ARG A 50 10.104 19.485 -1.809 1.00 15.24 C ATOM 744 CG ARG A 50 11.123 19.100 -0.749 1.00 14.13 C ATOM 745 CD ARG A 50 12.541 19.155 -1.294 1.00 2.44 C ATOM 746 NE ARG A 50 13.263 20.334 -0.822 1.00 1.10 N ATOM 747 CZ ARG A 50 14.433 20.726 -1.315 1.00 72.40 C ATOM 748 NH1 ARG A 50 15.009 20.036 -2.290 1.00 24.14 N ATOM 749 NH2 ARG A 50 15.028 21.809 -0.833 1.00 51.45 N ATOM 0 H ARG A 50 9.167 19.653 0.667 1.00 3.54 H new ATOM 0 HA ARG A 50 8.004 19.874 -2.044 1.00 31.35 H new ATOM 0 HB2 ARG A 50 10.254 18.860 -2.689 1.00 15.24 H new ATOM 0 HB3 ARG A 50 10.283 20.516 -2.116 1.00 15.24 H new ATOM 0 HG2 ARG A 50 11.034 19.772 0.104 1.00 14.13 H new ATOM 0 HG3 ARG A 50 10.910 18.094 -0.386 1.00 14.13 H new ATOM 0 HD2 ARG A 50 13.080 18.256 -0.995 1.00 2.44 H new ATOM 0 HD3 ARG A 50 12.511 19.160 -2.384 1.00 2.44 H new ATOM 0 HE ARG A 50 12.846 20.887 -0.073 1.00 1.10 H new ATOM 0 HH11 ARG A 50 14.554 19.203 -2.663 1.00 24.14 H new ATOM 0 HH12 ARG A 50 15.907 20.339 -2.667 1.00 24.14 H new ATOM 0 HH21 ARG A 50 14.587 22.342 -0.083 1.00 51.45 H new ATOM 0 HH22 ARG A 50 15.926 22.109 -1.212 1.00 51.45 H new ATOM 763 N VAL A 51 7.211 17.539 -2.072 1.00 51.22 N ATOM 764 CA VAL A 51 6.727 16.165 -2.137 1.00 41.32 C ATOM 765 C VAL A 51 7.337 15.423 -3.321 1.00 5.22 C ATOM 766 O VAL A 51 7.490 15.984 -4.406 1.00 73.33 O ATOM 767 CB VAL A 51 5.192 16.116 -2.251 1.00 31.44 C ATOM 768 CG1 VAL A 51 4.700 14.677 -2.215 1.00 31.30 C ATOM 769 CG2 VAL A 51 4.549 16.935 -1.142 1.00 24.04 C ATOM 0 H VAL A 51 6.687 18.198 -2.647 1.00 51.22 H new ATOM 0 HA VAL A 51 7.031 15.678 -1.211 1.00 41.32 H new ATOM 0 HB VAL A 51 4.902 16.551 -3.208 1.00 31.44 H new ATOM 0 HG11 VAL A 51 3.613 14.662 -2.297 1.00 31.30 H new ATOM 0 HG12 VAL A 51 5.134 14.123 -3.047 1.00 31.30 H new ATOM 0 HG13 VAL A 51 5.000 14.213 -1.275 1.00 31.30 H new ATOM 0 HG21 VAL A 51 3.464 16.889 -1.238 1.00 24.04 H new ATOM 0 HG22 VAL A 51 4.845 16.532 -0.174 1.00 24.04 H new ATOM 0 HG23 VAL A 51 4.877 17.972 -1.219 1.00 24.04 H new ATOM 779 N ARG A 52 7.685 14.159 -3.104 1.00 71.10 N ATOM 780 CA ARG A 52 8.280 13.339 -4.153 1.00 13.40 C ATOM 781 C ARG A 52 7.464 12.069 -4.379 1.00 5.44 C ATOM 782 O ARG A 52 7.500 11.146 -3.566 1.00 14.12 O ATOM 783 CB ARG A 52 9.721 12.976 -3.790 1.00 74.41 C ATOM 784 CG ARG A 52 10.631 12.816 -4.997 1.00 12.21 C ATOM 785 CD ARG A 52 12.067 13.188 -4.664 1.00 43.32 C ATOM 786 NE ARG A 52 12.914 12.010 -4.500 1.00 31.34 N ATOM 787 CZ ARG A 52 14.125 12.045 -3.956 1.00 45.31 C ATOM 788 NH1 ARG A 52 14.630 13.194 -3.527 1.00 35.14 N ATOM 789 NH2 ARG A 52 14.835 10.930 -3.841 1.00 2.12 N ATOM 0 H ARG A 52 7.565 13.680 -2.211 1.00 71.10 H new ATOM 0 HA ARG A 52 8.281 13.918 -5.076 1.00 13.40 H new ATOM 0 HB2 ARG A 52 10.128 13.749 -3.138 1.00 74.41 H new ATOM 0 HB3 ARG A 52 9.720 12.047 -3.220 1.00 74.41 H new ATOM 0 HG2 ARG A 52 10.593 11.785 -5.349 1.00 12.21 H new ATOM 0 HG3 ARG A 52 10.271 13.444 -5.812 1.00 12.21 H new ATOM 0 HD2 ARG A 52 12.471 13.818 -5.457 1.00 43.32 H new ATOM 0 HD3 ARG A 52 12.085 13.778 -3.748 1.00 43.32 H new ATOM 0 HE ARG A 52 12.556 11.111 -4.821 1.00 31.34 H new ATOM 0 HH11 ARG A 52 14.088 14.054 -3.614 1.00 35.14 H new ATOM 0 HH12 ARG A 52 15.560 13.218 -3.110 1.00 35.14 H new ATOM 0 HH21 ARG A 52 14.451 10.044 -4.171 1.00 2.12 H new ATOM 0 HH22 ARG A 52 15.765 10.958 -3.423 1.00 2.12 H new ATOM 803 N GLN A 53 6.732 12.032 -5.487 1.00 32.22 N ATOM 804 CA GLN A 53 5.907 10.876 -5.818 1.00 22.30 C ATOM 805 C GLN A 53 6.753 9.758 -6.420 1.00 52.41 C ATOM 806 O GLN A 53 6.620 8.594 -6.043 1.00 11.01 O ATOM 807 CB GLN A 53 4.799 11.276 -6.794 1.00 64.31 C ATOM 808 CG GLN A 53 3.479 10.567 -6.539 1.00 71.04 C ATOM 809 CD GLN A 53 2.467 10.803 -7.643 1.00 42.43 C ATOM 810 OE1 GLN A 53 2.289 9.965 -8.528 1.00 11.24 O ATOM 811 NE2 GLN A 53 1.798 11.949 -7.598 1.00 12.32 N ATOM 0 H GLN A 53 6.693 12.788 -6.170 1.00 32.22 H new ATOM 0 HA GLN A 53 5.454 10.508 -4.897 1.00 22.30 H new ATOM 0 HB2 GLN A 53 4.642 12.353 -6.731 1.00 64.31 H new ATOM 0 HB3 GLN A 53 5.127 11.061 -7.811 1.00 64.31 H new ATOM 0 HG2 GLN A 53 3.659 9.497 -6.439 1.00 71.04 H new ATOM 0 HG3 GLN A 53 3.064 10.910 -5.591 1.00 71.04 H new ATOM 0 HE21 GLN A 53 1.977 12.615 -6.846 1.00 12.32 H new ATOM 0 HE22 GLN A 53 1.105 12.163 -8.315 1.00 12.32 H new ATOM 820 N ASP A 54 7.621 10.120 -7.358 1.00 5.54 N ATOM 821 CA ASP A 54 8.490 9.148 -8.012 1.00 13.52 C ATOM 822 C ASP A 54 9.400 9.830 -9.029 1.00 12.54 C ATOM 823 O ASP A 54 10.622 9.824 -8.885 1.00 25.52 O ATOM 824 CB ASP A 54 7.654 8.068 -8.701 1.00 10.54 C ATOM 825 CG ASP A 54 8.189 6.673 -8.447 1.00 31.22 C ATOM 826 OD1 ASP A 54 9.426 6.513 -8.394 1.00 61.42 O ATOM 827 OD2 ASP A 54 7.370 5.741 -8.302 1.00 24.53 O ATOM 0 H ASP A 54 7.742 11.079 -7.683 1.00 5.54 H new ATOM 0 HA ASP A 54 9.113 8.683 -7.248 1.00 13.52 H new ATOM 0 HB2 ASP A 54 6.625 8.129 -8.348 1.00 10.54 H new ATOM 0 HB3 ASP A 54 7.635 8.257 -9.774 1.00 10.54 H new ATOM 832 N ARG A 55 8.795 10.418 -10.056 1.00 61.41 N ATOM 833 CA ARG A 55 9.551 11.102 -11.098 1.00 61.11 C ATOM 834 C ARG A 55 9.218 12.591 -11.122 1.00 62.15 C ATOM 835 O ARG A 55 10.032 13.411 -11.544 1.00 45.32 O ATOM 836 CB ARG A 55 9.256 10.480 -12.464 1.00 72.12 C ATOM 837 CG ARG A 55 10.420 9.688 -13.038 1.00 12.45 C ATOM 838 CD ARG A 55 9.937 8.537 -13.906 1.00 53.41 C ATOM 839 NE ARG A 55 9.476 7.405 -13.107 1.00 64.34 N ATOM 840 CZ ARG A 55 8.715 6.428 -13.588 1.00 24.32 C ATOM 841 NH1 ARG A 55 8.332 6.445 -14.857 1.00 32.32 N ATOM 842 NH2 ARG A 55 8.337 5.431 -12.798 1.00 61.54 N ATOM 0 H ARG A 55 7.784 10.434 -10.189 1.00 61.41 H new ATOM 0 HA ARG A 55 10.612 10.988 -10.877 1.00 61.11 H new ATOM 0 HB2 ARG A 55 8.390 9.824 -12.375 1.00 72.12 H new ATOM 0 HB3 ARG A 55 8.986 11.271 -13.163 1.00 72.12 H new ATOM 0 HG2 ARG A 55 11.055 10.349 -13.628 1.00 12.45 H new ATOM 0 HG3 ARG A 55 11.033 9.299 -12.225 1.00 12.45 H new ATOM 0 HD2 ARG A 55 9.126 8.882 -14.547 1.00 53.41 H new ATOM 0 HD3 ARG A 55 10.746 8.213 -14.561 1.00 53.41 H new ATOM 0 HE ARG A 55 9.753 7.362 -12.126 1.00 64.34 H new ATOM 0 HH11 ARG A 55 8.622 7.210 -15.467 1.00 32.32 H new ATOM 0 HH12 ARG A 55 7.748 5.694 -15.223 1.00 32.32 H new ATOM 0 HH21 ARG A 55 8.631 5.415 -11.821 1.00 61.54 H new ATOM 0 HH22 ARG A 55 7.753 4.681 -13.167 1.00 61.54 H new ATOM 856 N GLU A 56 8.016 12.931 -10.668 1.00 21.21 N ATOM 857 CA GLU A 56 7.576 14.321 -10.639 1.00 70.34 C ATOM 858 C GLU A 56 7.735 14.913 -9.242 1.00 43.32 C ATOM 859 O GLU A 56 7.978 14.192 -8.275 1.00 33.24 O ATOM 860 CB GLU A 56 6.116 14.426 -11.086 1.00 64.15 C ATOM 861 CG GLU A 56 5.906 15.365 -12.262 1.00 42.31 C ATOM 862 CD GLU A 56 4.442 15.537 -12.617 1.00 60.11 C ATOM 863 OE1 GLU A 56 3.831 14.561 -13.101 1.00 21.34 O ATOM 864 OE2 GLU A 56 3.907 16.646 -12.412 1.00 43.51 O ATOM 0 H GLU A 56 7.330 12.264 -10.315 1.00 21.21 H new ATOM 0 HA GLU A 56 8.202 14.888 -11.328 1.00 70.34 H new ATOM 0 HB2 GLU A 56 5.755 13.433 -11.355 1.00 64.15 H new ATOM 0 HB3 GLU A 56 5.511 14.768 -10.246 1.00 64.15 H new ATOM 0 HG2 GLU A 56 6.336 16.339 -12.026 1.00 42.31 H new ATOM 0 HG3 GLU A 56 6.444 14.981 -13.129 1.00 42.31 H new ATOM 871 N TRP A 57 7.598 16.231 -9.146 1.00 21.31 N ATOM 872 CA TRP A 57 7.727 16.921 -7.868 1.00 24.04 C ATOM 873 C TRP A 57 6.595 17.923 -7.673 1.00 50.22 C ATOM 874 O TRP A 57 6.084 18.492 -8.638 1.00 10.21 O ATOM 875 CB TRP A 57 9.077 17.636 -7.785 1.00 23.42 C ATOM 876 CG TRP A 57 9.207 18.774 -8.751 1.00 62.44 C ATOM 877 CD1 TRP A 57 8.909 20.086 -8.518 1.00 23.35 C ATOM 878 CD2 TRP A 57 9.667 18.700 -10.105 1.00 70.33 C ATOM 879 NE1 TRP A 57 9.156 20.832 -9.645 1.00 22.04 N ATOM 880 CE2 TRP A 57 9.623 20.005 -10.632 1.00 55.32 C ATOM 881 CE3 TRP A 57 10.114 17.658 -10.923 1.00 51.41 C ATOM 882 CZ2 TRP A 57 10.007 20.294 -11.939 1.00 32.20 C ATOM 883 CZ3 TRP A 57 10.495 17.946 -12.220 1.00 14.32 C ATOM 884 CH2 TRP A 57 10.440 19.255 -12.717 1.00 40.14 C ATOM 0 H TRP A 57 7.398 16.843 -9.937 1.00 21.31 H new ATOM 0 HA TRP A 57 7.668 16.176 -7.074 1.00 24.04 H new ATOM 0 HB2 TRP A 57 9.220 18.011 -6.772 1.00 23.42 H new ATOM 0 HB3 TRP A 57 9.873 16.916 -7.973 1.00 23.42 H new ATOM 0 HD1 TRP A 57 8.534 20.480 -7.585 1.00 23.35 H new ATOM 0 HE1 TRP A 57 9.015 21.838 -9.732 1.00 22.04 H new ATOM 0 HE3 TRP A 57 10.161 16.646 -10.548 1.00 51.41 H new ATOM 0 HZ2 TRP A 57 9.965 21.302 -12.325 1.00 32.20 H new ATOM 0 HZ3 TRP A 57 10.841 17.149 -12.861 1.00 14.32 H new ATOM 0 HH2 TRP A 57 10.746 19.448 -13.735 1.00 40.14 H new ATOM 895 N VAL A 58 6.207 18.135 -6.420 1.00 13.24 N ATOM 896 CA VAL A 58 5.135 19.070 -6.099 1.00 40.41 C ATOM 897 C VAL A 58 5.398 19.773 -4.772 1.00 15.11 C ATOM 898 O VAL A 58 5.630 19.127 -3.751 1.00 30.41 O ATOM 899 CB VAL A 58 3.771 18.358 -6.029 1.00 50.44 C ATOM 900 CG1 VAL A 58 2.649 19.370 -5.856 1.00 14.22 C ATOM 901 CG2 VAL A 58 3.549 17.511 -7.273 1.00 54.11 C ATOM 0 H VAL A 58 6.619 17.672 -5.610 1.00 13.24 H new ATOM 0 HA VAL A 58 5.110 19.809 -6.900 1.00 40.41 H new ATOM 0 HB VAL A 58 3.769 17.697 -5.162 1.00 50.44 H new ATOM 0 HG11 VAL A 58 1.693 18.849 -5.809 1.00 14.22 H new ATOM 0 HG12 VAL A 58 2.803 19.930 -4.934 1.00 14.22 H new ATOM 0 HG13 VAL A 58 2.646 20.058 -6.702 1.00 14.22 H new ATOM 0 HG21 VAL A 58 2.581 17.015 -7.207 1.00 54.11 H new ATOM 0 HG22 VAL A 58 3.571 18.149 -8.156 1.00 54.11 H new ATOM 0 HG23 VAL A 58 4.337 16.761 -7.348 1.00 54.11 H new ATOM 911 N ALA A 59 5.358 21.101 -4.794 1.00 3.30 N ATOM 912 CA ALA A 59 5.589 21.893 -3.592 1.00 23.52 C ATOM 913 C ALA A 59 4.316 22.605 -3.151 1.00 14.54 C ATOM 914 O ALA A 59 3.518 23.041 -3.981 1.00 52.41 O ATOM 915 CB ALA A 59 6.705 22.899 -3.829 1.00 40.51 C ATOM 0 H ALA A 59 5.168 21.651 -5.631 1.00 3.30 H new ATOM 0 HA ALA A 59 5.890 21.216 -2.793 1.00 23.52 H new ATOM 0 HB1 ALA A 59 6.867 23.483 -2.923 1.00 40.51 H new ATOM 0 HB2 ALA A 59 7.622 22.370 -4.088 1.00 40.51 H new ATOM 0 HB3 ALA A 59 6.427 23.565 -4.646 1.00 40.51 H new ATOM 921 N ILE A 60 4.131 22.720 -1.840 1.00 21.03 N ATOM 922 CA ILE A 60 2.954 23.381 -1.289 1.00 61.43 C ATOM 923 C ILE A 60 3.327 24.282 -0.117 1.00 62.13 C ATOM 924 O ILE A 60 4.218 23.959 0.668 1.00 34.14 O ATOM 925 CB ILE A 60 1.902 22.358 -0.821 1.00 71.02 C ATOM 926 CG1 ILE A 60 1.475 21.463 -1.986 1.00 63.34 C ATOM 927 CG2 ILE A 60 0.697 23.072 -0.226 1.00 65.01 C ATOM 928 CD1 ILE A 60 0.446 20.423 -1.604 1.00 35.21 C ATOM 0 H ILE A 60 4.781 22.364 -1.139 1.00 21.03 H new ATOM 0 HA ILE A 60 2.529 23.987 -2.089 1.00 61.43 H new ATOM 0 HB ILE A 60 2.346 21.730 -0.049 1.00 71.02 H new ATOM 0 HG12 ILE A 60 1.071 22.087 -2.783 1.00 63.34 H new ATOM 0 HG13 ILE A 60 2.355 20.961 -2.389 1.00 63.34 H new ATOM 0 HG21 ILE A 60 -0.038 22.336 0.100 1.00 65.01 H new ATOM 0 HG22 ILE A 60 1.014 23.671 0.628 1.00 65.01 H new ATOM 0 HG23 ILE A 60 0.250 23.721 -0.979 1.00 65.01 H new ATOM 0 HD11 ILE A 60 0.191 19.825 -2.479 1.00 35.21 H new ATOM 0 HD12 ILE A 60 0.854 19.775 -0.828 1.00 35.21 H new ATOM 0 HD13 ILE A 60 -0.450 20.918 -1.229 1.00 35.21 H new ATOM 940 N ALA A 61 2.639 25.413 -0.005 1.00 52.23 N ATOM 941 CA ALA A 61 2.895 26.360 1.073 1.00 31.20 C ATOM 942 C ALA A 61 1.982 26.094 2.265 1.00 13.31 C ATOM 943 O ALA A 61 0.767 25.958 2.112 1.00 62.44 O ATOM 944 CB ALA A 61 2.716 27.787 0.576 1.00 21.33 C ATOM 0 H ALA A 61 1.900 25.696 -0.648 1.00 52.23 H new ATOM 0 HA ALA A 61 3.926 26.229 1.402 1.00 31.20 H new ATOM 0 HB1 ALA A 61 2.910 28.483 1.392 1.00 21.33 H new ATOM 0 HB2 ALA A 61 3.414 27.979 -0.239 1.00 21.33 H new ATOM 0 HB3 ALA A 61 1.695 27.922 0.219 1.00 21.33 H new ATOM 950 N LEU A 62 2.573 26.021 3.452 1.00 11.55 N ATOM 951 CA LEU A 62 1.812 25.771 4.672 1.00 42.42 C ATOM 952 C LEU A 62 2.422 26.515 5.856 1.00 34.00 C ATOM 953 O LEU A 62 3.551 26.239 6.260 1.00 51.42 O ATOM 954 CB LEU A 62 1.763 24.271 4.967 1.00 4.33 C ATOM 955 CG LEU A 62 1.420 23.365 3.785 1.00 62.04 C ATOM 956 CD1 LEU A 62 2.675 23.009 3.003 1.00 24.44 C ATOM 957 CD2 LEU A 62 0.713 22.106 4.265 1.00 63.11 C ATOM 0 H LEU A 62 3.577 26.131 3.596 1.00 11.55 H new ATOM 0 HA LEU A 62 0.797 26.138 4.520 1.00 42.42 H new ATOM 0 HB2 LEU A 62 2.732 23.967 5.362 1.00 4.33 H new ATOM 0 HB3 LEU A 62 1.029 24.100 5.755 1.00 4.33 H new ATOM 0 HG LEU A 62 0.745 23.906 3.122 1.00 62.04 H new ATOM 0 HD11 LEU A 62 2.411 22.363 2.165 1.00 24.44 H new ATOM 0 HD12 LEU A 62 3.140 23.920 2.626 1.00 24.44 H new ATOM 0 HD13 LEU A 62 3.375 22.488 3.656 1.00 24.44 H new ATOM 0 HD21 LEU A 62 0.477 21.473 3.410 1.00 63.11 H new ATOM 0 HD22 LEU A 62 1.363 21.562 4.950 1.00 63.11 H new ATOM 0 HD23 LEU A 62 -0.208 22.380 4.780 1.00 63.11 H new ATOM 969 N MET A 63 1.665 27.457 6.409 1.00 0.23 N ATOM 970 CA MET A 63 2.130 28.238 7.550 1.00 52.01 C ATOM 971 C MET A 63 2.345 27.346 8.768 1.00 21.41 C ATOM 972 O MET A 63 2.332 26.120 8.662 1.00 52.11 O ATOM 973 CB MET A 63 1.124 29.342 7.883 1.00 25.01 C ATOM 974 CG MET A 63 -0.141 28.830 8.551 1.00 32.13 C ATOM 975 SD MET A 63 -0.333 29.442 10.236 1.00 15.13 S ATOM 976 CE MET A 63 -0.735 31.160 9.928 1.00 14.25 C ATOM 0 H MET A 63 0.728 27.698 6.086 1.00 0.23 H new ATOM 0 HA MET A 63 3.084 28.693 7.283 1.00 52.01 H new ATOM 0 HB2 MET A 63 1.601 30.071 8.538 1.00 25.01 H new ATOM 0 HB3 MET A 63 0.854 29.865 6.966 1.00 25.01 H new ATOM 0 HG2 MET A 63 -1.006 29.129 7.959 1.00 32.13 H new ATOM 0 HG3 MET A 63 -0.125 27.740 8.564 1.00 32.13 H new ATOM 0 HE1 MET A 63 0.085 31.792 10.270 1.00 14.25 H new ATOM 0 HE2 MET A 63 -0.889 31.312 8.860 1.00 14.25 H new ATOM 0 HE3 MET A 63 -1.645 31.423 10.467 1.00 14.25 H new ATOM 986 N GLY A 64 2.544 27.969 9.926 1.00 51.34 N ATOM 987 CA GLY A 64 2.760 27.216 11.147 1.00 73.42 C ATOM 988 C GLY A 64 1.695 26.160 11.372 1.00 3.14 C ATOM 989 O GLY A 64 0.508 26.414 11.177 1.00 53.35 O ATOM 0 H GLY A 64 2.559 28.983 10.040 1.00 51.34 H new ATOM 0 HA2 GLY A 64 3.739 26.738 11.107 1.00 73.42 H new ATOM 0 HA3 GLY A 64 2.774 27.901 11.995 1.00 73.42 H new ATOM 993 N GLY A 65 2.122 24.970 11.785 1.00 52.04 N ATOM 994 CA GLY A 65 1.184 23.890 12.028 1.00 22.43 C ATOM 995 C GLY A 65 1.849 22.671 12.637 1.00 63.25 C ATOM 996 O GLY A 65 2.800 22.794 13.410 1.00 55.13 O ATOM 0 H GLY A 65 3.100 24.735 11.955 1.00 52.04 H new ATOM 0 HA2 GLY A 65 0.395 24.241 12.694 1.00 22.43 H new ATOM 0 HA3 GLY A 65 0.707 23.609 11.089 1.00 22.43 H new ATOM 1000 N PHE A 66 1.349 21.490 12.289 1.00 53.04 N ATOM 1001 CA PHE A 66 1.899 20.243 12.808 1.00 50.42 C ATOM 1002 C PHE A 66 1.954 19.177 11.718 1.00 54.25 C ATOM 1003 O PHE A 66 1.467 19.385 10.606 1.00 30.05 O ATOM 1004 CB PHE A 66 1.060 19.742 13.985 1.00 2.33 C ATOM 1005 CG PHE A 66 0.884 20.763 15.073 1.00 24.23 C ATOM 1006 CD1 PHE A 66 -0.163 21.669 15.029 1.00 44.03 C ATOM 1007 CD2 PHE A 66 1.767 20.816 16.140 1.00 13.14 C ATOM 1008 CE1 PHE A 66 -0.328 22.609 16.028 1.00 5.24 C ATOM 1009 CE2 PHE A 66 1.607 21.754 17.143 1.00 34.41 C ATOM 1010 CZ PHE A 66 0.559 22.652 17.086 1.00 0.05 C ATOM 0 H PHE A 66 0.563 21.370 11.649 1.00 53.04 H new ATOM 0 HA PHE A 66 2.915 20.438 13.152 1.00 50.42 H new ATOM 0 HB2 PHE A 66 0.079 19.440 13.619 1.00 2.33 H new ATOM 0 HB3 PHE A 66 1.531 18.853 14.405 1.00 2.33 H new ATOM 0 HD1 PHE A 66 -0.859 21.640 14.204 1.00 44.03 H new ATOM 0 HD2 PHE A 66 2.589 20.117 16.188 1.00 13.14 H new ATOM 0 HE1 PHE A 66 -1.149 23.309 15.982 1.00 5.24 H new ATOM 0 HE2 PHE A 66 2.301 21.785 17.970 1.00 34.41 H new ATOM 0 HZ PHE A 66 0.433 23.387 17.868 1.00 0.05 H new ATOM 1020 N ALA A 67 2.550 18.035 12.044 1.00 1.42 N ATOM 1021 CA ALA A 67 2.668 16.936 11.094 1.00 34.15 C ATOM 1022 C ALA A 67 2.768 15.596 11.816 1.00 44.14 C ATOM 1023 O ALA A 67 3.578 15.432 12.728 1.00 73.22 O ATOM 1024 CB ALA A 67 3.875 17.144 10.193 1.00 42.34 C ATOM 0 H ALA A 67 2.959 17.847 12.959 1.00 1.42 H new ATOM 0 HA ALA A 67 1.768 16.922 10.479 1.00 34.15 H new ATOM 0 HB1 ALA A 67 3.950 16.315 9.489 1.00 42.34 H new ATOM 0 HB2 ALA A 67 3.762 18.078 9.643 1.00 42.34 H new ATOM 0 HB3 ALA A 67 4.779 17.187 10.800 1.00 42.34 H new ATOM 1030 N GLU A 68 1.941 14.642 11.400 1.00 12.05 N ATOM 1031 CA GLU A 68 1.937 13.317 12.009 1.00 20.02 C ATOM 1032 C GLU A 68 1.722 12.235 10.955 1.00 35.32 C ATOM 1033 O GLU A 68 0.678 12.186 10.303 1.00 4.22 O ATOM 1034 CB GLU A 68 0.847 13.226 13.079 1.00 3.25 C ATOM 1035 CG GLU A 68 0.796 14.434 14.000 1.00 22.10 C ATOM 1036 CD GLU A 68 -0.267 14.305 15.073 1.00 32.22 C ATOM 1037 OE1 GLU A 68 -0.804 13.190 15.244 1.00 11.24 O ATOM 1038 OE2 GLU A 68 -0.563 15.317 15.741 1.00 2.44 O ATOM 0 H GLU A 68 1.266 14.762 10.645 1.00 12.05 H new ATOM 0 HA GLU A 68 2.909 13.157 12.476 1.00 20.02 H new ATOM 0 HB2 GLU A 68 -0.121 13.111 12.591 1.00 3.25 H new ATOM 0 HB3 GLU A 68 1.011 12.330 13.678 1.00 3.25 H new ATOM 0 HG2 GLU A 68 1.769 14.567 14.472 1.00 22.10 H new ATOM 0 HG3 GLU A 68 0.603 15.329 13.409 1.00 22.10 H new ATOM 1045 N VAL A 69 2.716 11.368 10.793 1.00 23.04 N ATOM 1046 CA VAL A 69 2.637 10.286 9.820 1.00 73.33 C ATOM 1047 C VAL A 69 2.426 8.942 10.508 1.00 63.32 C ATOM 1048 O VAL A 69 2.909 8.720 11.617 1.00 23.45 O ATOM 1049 CB VAL A 69 3.909 10.214 8.955 1.00 24.21 C ATOM 1050 CG1 VAL A 69 5.055 9.595 9.741 1.00 31.43 C ATOM 1051 CG2 VAL A 69 3.643 9.430 7.679 1.00 35.21 C ATOM 0 H VAL A 69 3.586 11.394 11.324 1.00 23.04 H new ATOM 0 HA VAL A 69 1.782 10.500 9.178 1.00 73.33 H new ATOM 0 HB VAL A 69 4.196 11.228 8.678 1.00 24.21 H new ATOM 0 HG11 VAL A 69 5.945 9.552 9.114 1.00 31.43 H new ATOM 0 HG12 VAL A 69 5.261 10.202 10.623 1.00 31.43 H new ATOM 0 HG13 VAL A 69 4.781 8.587 10.051 1.00 31.43 H new ATOM 0 HG21 VAL A 69 4.553 9.390 7.080 1.00 35.21 H new ATOM 0 HG22 VAL A 69 3.330 8.417 7.933 1.00 35.21 H new ATOM 0 HG23 VAL A 69 2.855 9.921 7.108 1.00 35.21 H new ATOM 1061 N GLU A 70 1.702 8.048 9.841 1.00 44.34 N ATOM 1062 CA GLU A 70 1.428 6.725 10.389 1.00 0.31 C ATOM 1063 C GLU A 70 0.738 5.840 9.355 1.00 3.01 C ATOM 1064 O GLU A 70 -0.334 6.174 8.854 1.00 72.34 O ATOM 1065 CB GLU A 70 0.557 6.839 11.642 1.00 72.12 C ATOM 1066 CG GLU A 70 -0.680 7.699 11.447 1.00 52.41 C ATOM 1067 CD GLU A 70 -1.932 7.059 12.016 1.00 4.53 C ATOM 1068 OE1 GLU A 70 -1.809 6.255 12.963 1.00 20.12 O ATOM 1069 OE2 GLU A 70 -3.034 7.364 11.514 1.00 1.23 O ATOM 0 H GLU A 70 1.295 8.216 8.921 1.00 44.34 H new ATOM 0 HA GLU A 70 2.380 6.266 10.657 1.00 0.31 H new ATOM 0 HB2 GLU A 70 0.250 5.840 11.953 1.00 72.12 H new ATOM 0 HB3 GLU A 70 1.155 7.255 12.453 1.00 72.12 H new ATOM 0 HG2 GLU A 70 -0.523 8.667 11.923 1.00 52.41 H new ATOM 0 HG3 GLU A 70 -0.824 7.886 10.383 1.00 52.41 H new ATOM 1076 N ASN A 71 1.363 4.710 9.041 1.00 24.23 N ATOM 1077 CA ASN A 71 0.811 3.776 8.066 1.00 2.33 C ATOM 1078 C ASN A 71 0.410 4.502 6.785 1.00 30.44 C ATOM 1079 O ASN A 71 -0.737 4.420 6.347 1.00 4.23 O ATOM 1080 CB ASN A 71 -0.400 3.049 8.655 1.00 43.15 C ATOM 1081 CG ASN A 71 -0.662 1.719 7.975 1.00 44.02 C ATOM 1082 OD1 ASN A 71 0.245 0.901 7.817 1.00 53.14 O ATOM 1083 ND2 ASN A 71 -1.906 1.497 7.569 1.00 54.20 N ATOM 0 H ASN A 71 2.252 4.419 9.447 1.00 24.23 H new ATOM 0 HA ASN A 71 1.582 3.045 7.822 1.00 2.33 H new ATOM 0 HB2 ASN A 71 -0.239 2.884 9.720 1.00 43.15 H new ATOM 0 HB3 ASN A 71 -1.282 3.682 8.561 1.00 43.15 H new ATOM 0 HD21 ASN A 71 -2.142 0.620 7.105 1.00 54.20 H new ATOM 0 HD22 ASN A 71 -2.626 2.204 7.721 1.00 54.20 H new ATOM 1090 N ASN A 72 1.364 5.210 6.190 1.00 54.23 N ATOM 1091 CA ASN A 72 1.110 5.950 4.959 1.00 41.13 C ATOM 1092 C ASN A 72 -0.025 6.951 5.150 1.00 52.32 C ATOM 1093 O ASN A 72 -0.818 7.186 4.239 1.00 74.32 O ATOM 1094 CB ASN A 72 0.769 4.986 3.821 1.00 73.02 C ATOM 1095 CG ASN A 72 1.479 3.653 3.959 1.00 3.52 C ATOM 1096 OD1 ASN A 72 2.790 3.701 4.165 1.00 54.31 O flip ATOM 1097 ND2 ASN A 72 0.857 2.594 3.882 1.00 23.13 N flip ATOM 0 H ASN A 72 2.319 5.287 6.540 1.00 54.23 H new ATOM 0 HA ASN A 72 2.015 6.500 4.702 1.00 41.13 H new ATOM 0 HB2 ASN A 72 -0.308 4.820 3.800 1.00 73.02 H new ATOM 0 HB3 ASN A 72 1.040 5.442 2.869 1.00 73.02 H new ATOM 0 HD21 ASN A 72 -0.150 2.605 3.723 1.00 23.13 H new ATOM 0 HD22 ASN A 72 1.349 1.706 3.977 1.00 23.13 H new ATOM 1104 N GLU A 73 -0.095 7.538 6.340 1.00 11.44 N ATOM 1105 CA GLU A 73 -1.133 8.514 6.650 1.00 14.15 C ATOM 1106 C GLU A 73 -0.541 9.736 7.346 1.00 12.50 C ATOM 1107 O GLU A 73 -0.273 9.712 8.547 1.00 11.13 O ATOM 1108 CB GLU A 73 -2.210 7.882 7.535 1.00 54.31 C ATOM 1109 CG GLU A 73 -3.620 8.338 7.197 1.00 60.21 C ATOM 1110 CD GLU A 73 -4.625 7.203 7.234 1.00 24.44 C ATOM 1111 OE1 GLU A 73 -4.318 6.120 6.693 1.00 50.10 O ATOM 1112 OE2 GLU A 73 -5.718 7.397 7.806 1.00 1.51 O ATOM 0 H GLU A 73 0.554 7.355 7.105 1.00 11.44 H new ATOM 0 HA GLU A 73 -1.585 8.835 5.712 1.00 14.15 H new ATOM 0 HB2 GLU A 73 -2.155 6.797 7.441 1.00 54.31 H new ATOM 0 HB3 GLU A 73 -1.999 8.122 8.577 1.00 54.31 H new ATOM 0 HG2 GLU A 73 -3.926 9.112 7.901 1.00 60.21 H new ATOM 0 HG3 GLU A 73 -3.624 8.789 6.205 1.00 60.21 H new ATOM 1119 N VAL A 74 -0.339 10.805 6.582 1.00 41.04 N ATOM 1120 CA VAL A 74 0.221 12.038 7.123 1.00 31.51 C ATOM 1121 C VAL A 74 -0.873 13.061 7.405 1.00 34.20 C ATOM 1122 O VAL A 74 -1.824 13.199 6.635 1.00 72.35 O ATOM 1123 CB VAL A 74 1.251 12.656 6.160 1.00 5.41 C ATOM 1124 CG1 VAL A 74 2.083 13.711 6.874 1.00 40.43 C ATOM 1125 CG2 VAL A 74 2.142 11.575 5.567 1.00 40.22 C ATOM 0 H VAL A 74 -0.555 10.842 5.586 1.00 41.04 H new ATOM 0 HA VAL A 74 0.719 11.777 8.057 1.00 31.51 H new ATOM 0 HB VAL A 74 0.715 13.141 5.344 1.00 5.41 H new ATOM 0 HG11 VAL A 74 2.806 14.137 6.178 1.00 40.43 H new ATOM 0 HG12 VAL A 74 1.429 14.500 7.246 1.00 40.43 H new ATOM 0 HG13 VAL A 74 2.611 13.253 7.710 1.00 40.43 H new ATOM 0 HG21 VAL A 74 2.864 12.030 4.889 1.00 40.22 H new ATOM 0 HG22 VAL A 74 2.672 11.060 6.368 1.00 40.22 H new ATOM 0 HG23 VAL A 74 1.530 10.859 5.018 1.00 40.22 H new ATOM 1135 N THR A 75 -0.733 13.778 8.515 1.00 12.54 N ATOM 1136 CA THR A 75 -1.710 14.789 8.900 1.00 2.54 C ATOM 1137 C THR A 75 -1.039 16.136 9.146 1.00 12.15 C ATOM 1138 O THR A 75 -0.405 16.344 10.181 1.00 11.33 O ATOM 1139 CB THR A 75 -2.480 14.373 10.168 1.00 63.01 C ATOM 1140 OG1 THR A 75 -1.586 14.310 11.285 1.00 14.43 O ATOM 1141 CG2 THR A 75 -3.152 13.022 9.973 1.00 1.23 C ATOM 0 H THR A 75 0.048 13.677 9.164 1.00 12.54 H new ATOM 0 HA THR A 75 -2.412 14.881 8.072 1.00 2.54 H new ATOM 0 HB THR A 75 -3.250 15.120 10.361 1.00 63.01 H new ATOM 0 HG1 THR A 75 -0.793 14.856 11.101 1.00 14.43 H new ATOM 0 HG21 THR A 75 -3.690 12.749 10.881 1.00 1.23 H new ATOM 0 HG22 THR A 75 -3.853 13.081 9.140 1.00 1.23 H new ATOM 0 HG23 THR A 75 -2.396 12.267 9.758 1.00 1.23 H new ATOM 1149 N ILE A 76 -1.184 17.047 8.190 1.00 3.32 N ATOM 1150 CA ILE A 76 -0.593 18.375 8.305 1.00 21.21 C ATOM 1151 C ILE A 76 -1.608 19.385 8.831 1.00 63.55 C ATOM 1152 O ILE A 76 -2.450 19.882 8.082 1.00 70.21 O ATOM 1153 CB ILE A 76 -0.049 18.868 6.951 1.00 23.14 C ATOM 1154 CG1 ILE A 76 0.967 17.870 6.391 1.00 33.21 C ATOM 1155 CG2 ILE A 76 0.582 20.244 7.104 1.00 52.15 C ATOM 1156 CD1 ILE A 76 2.172 17.669 7.283 1.00 42.43 C ATOM 0 H ILE A 76 -1.705 16.890 7.327 1.00 3.32 H new ATOM 0 HA ILE A 76 0.233 18.293 9.011 1.00 21.21 H new ATOM 0 HB ILE A 76 -0.879 18.946 6.249 1.00 23.14 H new ATOM 0 HG12 ILE A 76 0.474 16.910 6.238 1.00 33.21 H new ATOM 0 HG13 ILE A 76 1.303 18.216 5.413 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.962 20.579 6.139 1.00 52.15 H new ATOM 0 HG22 ILE A 76 -0.167 20.950 7.464 1.00 52.15 H new ATOM 0 HG23 ILE A 76 1.403 20.190 7.819 1.00 52.15 H new ATOM 0 HD11 ILE A 76 2.849 16.949 6.823 1.00 42.43 H new ATOM 0 HD12 ILE A 76 2.689 18.619 7.416 1.00 42.43 H new ATOM 0 HD13 ILE A 76 1.848 17.293 8.253 1.00 42.43 H new ATOM 1168 N LEU A 77 -1.521 19.685 10.122 1.00 61.24 N ATOM 1169 CA LEU A 77 -2.431 20.638 10.748 1.00 24.33 C ATOM 1170 C LEU A 77 -1.924 22.066 10.578 1.00 14.52 C ATOM 1171 O LEU A 77 -1.386 22.661 11.512 1.00 30.02 O ATOM 1172 CB LEU A 77 -2.593 20.316 12.235 1.00 71.32 C ATOM 1173 CG LEU A 77 -3.735 19.365 12.595 1.00 71.44 C ATOM 1174 CD1 LEU A 77 -3.567 18.841 14.012 1.00 20.15 C ATOM 1175 CD2 LEU A 77 -5.079 20.061 12.437 1.00 21.01 C ATOM 0 H LEU A 77 -0.830 19.283 10.755 1.00 61.24 H new ATOM 0 HA LEU A 77 -3.400 20.555 10.256 1.00 24.33 H new ATOM 0 HB2 LEU A 77 -1.660 19.884 12.597 1.00 71.32 H new ATOM 0 HB3 LEU A 77 -2.742 21.251 12.775 1.00 71.32 H new ATOM 0 HG LEU A 77 -3.705 18.517 11.911 1.00 71.44 H new ATOM 0 HD11 LEU A 77 -4.389 18.166 14.250 1.00 20.15 H new ATOM 0 HD12 LEU A 77 -2.622 18.304 14.092 1.00 20.15 H new ATOM 0 HD13 LEU A 77 -3.570 19.677 14.712 1.00 20.15 H new ATOM 0 HD21 LEU A 77 -5.880 19.369 12.697 1.00 21.01 H new ATOM 0 HD22 LEU A 77 -5.120 20.928 13.097 1.00 21.01 H new ATOM 0 HD23 LEU A 77 -5.202 20.385 11.404 1.00 21.01 H new ATOM 1187 N VAL A 78 -2.103 22.613 9.380 1.00 43.32 N ATOM 1188 CA VAL A 78 -1.667 23.974 9.088 1.00 72.22 C ATOM 1189 C VAL A 78 -2.811 24.966 9.262 1.00 53.35 C ATOM 1190 O VAL A 78 -3.930 24.725 8.809 1.00 3.03 O ATOM 1191 CB VAL A 78 -1.114 24.091 7.655 1.00 21.31 C ATOM 1192 CG1 VAL A 78 -2.162 23.658 6.641 1.00 42.41 C ATOM 1193 CG2 VAL A 78 -0.647 25.512 7.379 1.00 72.00 C ATOM 0 H VAL A 78 -2.547 22.135 8.596 1.00 43.32 H new ATOM 0 HA VAL A 78 -0.873 24.211 9.796 1.00 72.22 H new ATOM 0 HB VAL A 78 -0.255 23.426 7.560 1.00 21.31 H new ATOM 0 HG11 VAL A 78 -1.753 23.747 5.635 1.00 42.41 H new ATOM 0 HG12 VAL A 78 -2.443 22.621 6.828 1.00 42.41 H new ATOM 0 HG13 VAL A 78 -3.042 24.294 6.733 1.00 42.41 H new ATOM 0 HG21 VAL A 78 -0.259 25.577 6.362 1.00 72.00 H new ATOM 0 HG22 VAL A 78 -1.486 26.199 7.492 1.00 72.00 H new ATOM 0 HG23 VAL A 78 0.139 25.780 8.085 1.00 72.00 H new ATOM 1203 N ASN A 79 -2.523 26.084 9.920 1.00 42.22 N ATOM 1204 CA ASN A 79 -3.528 27.115 10.154 1.00 71.42 C ATOM 1205 C ASN A 79 -3.511 28.154 9.037 1.00 14.33 C ATOM 1206 O ASN A 79 -3.562 29.357 9.294 1.00 60.55 O ATOM 1207 CB ASN A 79 -3.287 27.795 11.503 1.00 60.31 C ATOM 1208 CG ASN A 79 -3.822 26.980 12.665 1.00 40.12 C ATOM 1209 OD1 ASN A 79 -3.411 25.840 12.879 1.00 22.32 O ATOM 1210 ND2 ASN A 79 -4.744 27.564 13.421 1.00 32.23 N ATOM 0 H ASN A 79 -1.602 26.299 10.301 1.00 42.22 H new ATOM 0 HA ASN A 79 -4.507 26.637 10.166 1.00 71.42 H new ATOM 0 HB2 ASN A 79 -2.218 27.958 11.639 1.00 60.31 H new ATOM 0 HB3 ASN A 79 -3.761 28.776 11.502 1.00 60.31 H new ATOM 0 HD21 ASN A 79 -5.142 27.065 14.217 1.00 32.23 H new ATOM 0 HD22 ASN A 79 -5.055 28.511 13.206 1.00 32.23 H new ATOM 1217 N GLY A 80 -3.441 27.682 7.797 1.00 63.55 N ATOM 1218 CA GLY A 80 -3.419 28.583 6.659 1.00 32.14 C ATOM 1219 C GLY A 80 -2.349 28.218 5.650 1.00 24.33 C ATOM 1220 O GLY A 80 -1.223 28.709 5.725 1.00 62.03 O ATOM 0 H GLY A 80 -3.399 26.691 7.559 1.00 63.55 H new ATOM 0 HA2 GLY A 80 -4.394 28.570 6.171 1.00 32.14 H new ATOM 0 HA3 GLY A 80 -3.251 29.601 7.009 1.00 32.14 H new ATOM 1224 N ALA A 81 -2.699 27.352 4.705 1.00 32.21 N ATOM 1225 CA ALA A 81 -1.760 26.921 3.677 1.00 40.51 C ATOM 1226 C ALA A 81 -2.174 27.440 2.304 1.00 45.12 C ATOM 1227 O ALA A 81 -3.357 27.457 1.968 1.00 71.12 O ATOM 1228 CB ALA A 81 -1.655 25.404 3.660 1.00 23.31 C ATOM 0 H ALA A 81 -3.627 26.935 4.630 1.00 32.21 H new ATOM 0 HA ALA A 81 -0.782 27.339 3.915 1.00 40.51 H new ATOM 0 HB1 ALA A 81 -0.950 25.097 2.887 1.00 23.31 H new ATOM 0 HB2 ALA A 81 -1.305 25.053 4.631 1.00 23.31 H new ATOM 0 HB3 ALA A 81 -2.634 24.974 3.450 1.00 23.31 H new ATOM 1234 N GLU A 82 -1.190 27.863 1.515 1.00 14.02 N ATOM 1235 CA GLU A 82 -1.454 28.384 0.179 1.00 71.30 C ATOM 1236 C GLU A 82 -1.084 27.357 -0.888 1.00 4.42 C ATOM 1237 O GLU A 82 0.060 26.907 -0.960 1.00 72.21 O ATOM 1238 CB GLU A 82 -0.673 29.679 -0.051 1.00 52.30 C ATOM 1239 CG GLU A 82 -1.358 30.912 0.516 1.00 72.45 C ATOM 1240 CD GLU A 82 -2.753 31.113 -0.045 1.00 2.24 C ATOM 1241 OE1 GLU A 82 -2.938 30.907 -1.262 1.00 42.45 O ATOM 1242 OE2 GLU A 82 -3.659 31.477 0.734 1.00 23.21 O ATOM 0 H GLU A 82 -0.205 27.855 1.778 1.00 14.02 H new ATOM 0 HA GLU A 82 -2.521 28.594 0.103 1.00 71.30 H new ATOM 0 HB2 GLU A 82 0.315 29.583 0.400 1.00 52.30 H new ATOM 0 HB3 GLU A 82 -0.522 29.817 -1.122 1.00 52.30 H new ATOM 0 HG2 GLU A 82 -1.416 30.825 1.601 1.00 72.45 H new ATOM 0 HG3 GLU A 82 -0.753 31.792 0.299 1.00 72.45 H new ATOM 1249 N ARG A 83 -2.059 26.992 -1.713 1.00 50.55 N ATOM 1250 CA ARG A 83 -1.837 26.018 -2.775 1.00 42.42 C ATOM 1251 C ARG A 83 -1.387 26.708 -4.060 1.00 70.21 C ATOM 1252 O ARG A 83 -2.009 27.669 -4.511 1.00 64.34 O ATOM 1253 CB ARG A 83 -3.113 25.215 -3.035 1.00 25.05 C ATOM 1254 CG ARG A 83 -2.937 23.717 -2.849 1.00 30.34 C ATOM 1255 CD ARG A 83 -1.988 23.134 -3.884 1.00 53.14 C ATOM 1256 NE ARG A 83 -2.162 21.692 -4.036 1.00 22.12 N ATOM 1257 CZ ARG A 83 -1.617 20.985 -5.020 1.00 4.43 C ATOM 1258 NH1 ARG A 83 -0.867 21.585 -5.934 1.00 62.12 N ATOM 1259 NH2 ARG A 83 -1.821 19.676 -5.090 1.00 5.12 N ATOM 0 H ARG A 83 -3.011 27.356 -1.667 1.00 50.55 H new ATOM 0 HA ARG A 83 -1.048 25.339 -2.452 1.00 42.42 H new ATOM 0 HB2 ARG A 83 -3.897 25.566 -2.364 1.00 25.05 H new ATOM 0 HB3 ARG A 83 -3.454 25.409 -4.052 1.00 25.05 H new ATOM 0 HG2 ARG A 83 -2.554 23.516 -1.849 1.00 30.34 H new ATOM 0 HG3 ARG A 83 -3.906 23.224 -2.924 1.00 30.34 H new ATOM 0 HD2 ARG A 83 -2.155 23.622 -4.844 1.00 53.14 H new ATOM 0 HD3 ARG A 83 -0.959 23.346 -3.593 1.00 53.14 H new ATOM 0 HE ARG A 83 -2.733 21.201 -3.349 1.00 22.12 H new ATOM 0 HH11 ARG A 83 -0.708 22.591 -5.882 1.00 62.12 H new ATOM 0 HH12 ARG A 83 -0.449 21.040 -6.689 1.00 62.12 H new ATOM 0 HH21 ARG A 83 -2.397 19.211 -4.388 1.00 5.12 H new ATOM 0 HH22 ARG A 83 -1.402 19.134 -5.846 1.00 5.12 H new ATOM 1273 N GLY A 84 -0.301 26.210 -4.644 1.00 73.32 N ATOM 1274 CA GLY A 84 0.214 26.790 -5.871 1.00 14.04 C ATOM 1275 C GLY A 84 -0.787 26.724 -7.008 1.00 4.33 C ATOM 1276 O GLY A 84 -0.648 27.430 -8.007 1.00 11.01 O ATOM 0 H GLY A 84 0.231 25.415 -4.289 1.00 73.32 H new ATOM 0 HA2 GLY A 84 0.487 27.830 -5.691 1.00 14.04 H new ATOM 0 HA3 GLY A 84 1.125 26.267 -6.162 1.00 14.04 H new ATOM 1280 N ASP A 85 -1.796 25.874 -6.857 1.00 61.21 N ATOM 1281 CA ASP A 85 -2.823 25.718 -7.880 1.00 74.32 C ATOM 1282 C ASP A 85 -3.942 26.737 -7.687 1.00 43.22 C ATOM 1283 O ASP A 85 -4.632 27.105 -8.638 1.00 15.41 O ATOM 1284 CB ASP A 85 -3.397 24.300 -7.845 1.00 41.32 C ATOM 1285 CG ASP A 85 -2.695 23.368 -8.813 1.00 33.21 C ATOM 1286 OD1 ASP A 85 -1.475 23.536 -9.019 1.00 33.53 O ATOM 1287 OD2 ASP A 85 -3.366 22.471 -9.365 1.00 74.32 O ATOM 0 H ASP A 85 -1.925 25.282 -6.036 1.00 61.21 H new ATOM 0 HA ASP A 85 -2.361 25.891 -8.852 1.00 74.32 H new ATOM 0 HB2 ASP A 85 -3.311 23.901 -6.834 1.00 41.32 H new ATOM 0 HB3 ASP A 85 -4.460 24.335 -8.085 1.00 41.32 H new ATOM 1292 N THR A 86 -4.116 27.190 -6.449 1.00 60.23 N ATOM 1293 CA THR A 86 -5.151 28.165 -6.131 1.00 34.33 C ATOM 1294 C THR A 86 -4.595 29.584 -6.149 1.00 61.30 C ATOM 1295 O THR A 86 -5.004 30.431 -5.355 1.00 54.20 O ATOM 1296 CB THR A 86 -5.777 27.889 -4.751 1.00 33.44 C ATOM 1297 OG1 THR A 86 -5.523 26.535 -4.359 1.00 72.23 O ATOM 1298 CG2 THR A 86 -7.277 28.141 -4.776 1.00 52.42 C ATOM 0 H THR A 86 -3.553 26.897 -5.651 1.00 60.23 H new ATOM 0 HA THR A 86 -5.920 28.070 -6.897 1.00 34.33 H new ATOM 0 HB THR A 86 -5.322 28.568 -4.029 1.00 33.44 H new ATOM 0 HG1 THR A 86 -5.923 26.368 -3.480 1.00 72.23 H new ATOM 0 HG21 THR A 86 -7.696 27.939 -3.790 1.00 52.42 H new ATOM 0 HG22 THR A 86 -7.467 29.180 -5.045 1.00 52.42 H new ATOM 0 HG23 THR A 86 -7.744 27.485 -5.510 1.00 52.42 H new ATOM 1306 N ILE A 87 -3.661 29.836 -7.060 1.00 2.25 N ATOM 1307 CA ILE A 87 -3.050 31.154 -7.182 1.00 30.05 C ATOM 1308 C ILE A 87 -3.341 31.770 -8.546 1.00 2.54 C ATOM 1309 O ILE A 87 -3.254 31.098 -9.573 1.00 50.23 O ATOM 1310 CB ILE A 87 -1.525 31.089 -6.974 1.00 53.25 C ATOM 1311 CG1 ILE A 87 -0.865 30.322 -8.122 1.00 30.33 C ATOM 1312 CG2 ILE A 87 -1.199 30.439 -5.638 1.00 74.12 C ATOM 1313 CD1 ILE A 87 -0.306 31.217 -9.205 1.00 3.32 C ATOM 0 H ILE A 87 -3.311 29.145 -7.724 1.00 2.25 H new ATOM 0 HA ILE A 87 -3.488 31.779 -6.403 1.00 30.05 H new ATOM 0 HB ILE A 87 -1.130 32.105 -6.966 1.00 53.25 H new ATOM 0 HG12 ILE A 87 -0.061 29.705 -7.721 1.00 30.33 H new ATOM 0 HG13 ILE A 87 -1.596 29.645 -8.563 1.00 30.33 H new ATOM 0 HG21 ILE A 87 -0.118 30.401 -5.506 1.00 74.12 H new ATOM 0 HG22 ILE A 87 -1.642 31.023 -4.831 1.00 74.12 H new ATOM 0 HG23 ILE A 87 -1.603 29.427 -5.618 1.00 74.12 H new ATOM 0 HD11 ILE A 87 0.146 30.605 -9.985 1.00 3.32 H new ATOM 0 HD12 ILE A 87 -1.110 31.815 -9.633 1.00 3.32 H new ATOM 0 HD13 ILE A 87 0.449 31.877 -8.778 1.00 3.32 H new ATOM 1325 N ASP A 88 -3.684 33.054 -8.548 1.00 33.35 N ATOM 1326 CA ASP A 88 -3.985 33.763 -9.786 1.00 31.12 C ATOM 1327 C ASP A 88 -3.190 35.062 -9.875 1.00 34.02 C ATOM 1328 O ASP A 88 -2.698 35.587 -8.876 1.00 33.02 O ATOM 1329 CB ASP A 88 -5.483 34.059 -9.878 1.00 3.21 C ATOM 1330 CG ASP A 88 -6.252 32.947 -10.562 1.00 71.43 C ATOM 1331 OD1 ASP A 88 -6.001 31.766 -10.241 1.00 11.15 O ATOM 1332 OD2 ASP A 88 -7.106 33.256 -11.419 1.00 41.32 O ATOM 0 H ASP A 88 -3.760 33.625 -7.706 1.00 33.35 H new ATOM 0 HA ASP A 88 -3.697 33.124 -10.621 1.00 31.12 H new ATOM 0 HB2 ASP A 88 -5.883 34.210 -8.875 1.00 3.21 H new ATOM 0 HB3 ASP A 88 -5.633 34.990 -10.424 1.00 3.21 H new ATOM 1337 N PRO A 89 -3.060 35.594 -11.099 1.00 72.33 N ATOM 1338 CA PRO A 89 -2.325 36.838 -11.348 1.00 75.51 C ATOM 1339 C PRO A 89 -3.046 38.059 -10.788 1.00 35.33 C ATOM 1340 O PRO A 89 -2.412 39.025 -10.365 1.00 30.43 O ATOM 1341 CB PRO A 89 -2.259 36.910 -12.876 1.00 5.44 C ATOM 1342 CG PRO A 89 -3.431 36.120 -13.344 1.00 53.34 C ATOM 1343 CD PRO A 89 -3.621 35.022 -12.335 1.00 64.21 C ATOM 0 HA PRO A 89 -1.348 36.839 -10.865 1.00 75.51 H new ATOM 0 HB2 PRO A 89 -2.311 37.941 -13.226 1.00 5.44 H new ATOM 0 HB3 PRO A 89 -1.325 36.493 -13.252 1.00 5.44 H new ATOM 0 HG2 PRO A 89 -4.321 36.746 -13.412 1.00 53.34 H new ATOM 0 HG3 PRO A 89 -3.253 35.710 -14.338 1.00 53.34 H new ATOM 0 HD2 PRO A 89 -4.673 34.763 -12.216 1.00 64.21 H new ATOM 0 HD3 PRO A 89 -3.099 34.111 -12.629 1.00 64.21 H new ATOM 1351 N GLN A 90 -4.375 38.008 -10.788 1.00 24.23 N ATOM 1352 CA GLN A 90 -5.181 39.111 -10.279 1.00 1.01 C ATOM 1353 C GLN A 90 -5.086 39.199 -8.759 1.00 42.23 C ATOM 1354 O GLN A 90 -4.870 40.276 -8.204 1.00 31.45 O ATOM 1355 CB GLN A 90 -6.641 38.941 -10.701 1.00 71.54 C ATOM 1356 CG GLN A 90 -7.334 40.251 -11.040 1.00 24.14 C ATOM 1357 CD GLN A 90 -8.838 40.177 -10.869 1.00 31.11 C ATOM 1358 OE1 GLN A 90 -9.348 40.175 -9.748 1.00 60.21 O ATOM 1359 NE2 GLN A 90 -9.558 40.116 -11.983 1.00 32.21 N ATOM 0 H GLN A 90 -4.915 37.215 -11.135 1.00 24.23 H new ATOM 0 HA GLN A 90 -4.793 40.037 -10.703 1.00 1.01 H new ATOM 0 HB2 GLN A 90 -6.685 38.281 -11.568 1.00 71.54 H new ATOM 0 HB3 GLN A 90 -7.188 38.448 -9.897 1.00 71.54 H new ATOM 0 HG2 GLN A 90 -6.938 41.042 -10.403 1.00 24.14 H new ATOM 0 HG3 GLN A 90 -7.102 40.524 -12.069 1.00 24.14 H new ATOM 0 HE21 GLN A 90 -9.094 40.120 -12.891 1.00 32.21 H new ATOM 0 HE22 GLN A 90 -10.575 40.065 -11.931 1.00 32.21 H new ATOM 1368 N GLU A 91 -5.249 38.060 -8.094 1.00 23.11 N ATOM 1369 CA GLU A 91 -5.182 38.010 -6.638 1.00 53.11 C ATOM 1370 C GLU A 91 -3.764 38.286 -6.148 1.00 65.05 C ATOM 1371 O GLU A 91 -3.563 38.987 -5.157 1.00 51.44 O ATOM 1372 CB GLU A 91 -5.652 36.645 -6.130 1.00 55.43 C ATOM 1373 CG GLU A 91 -5.439 36.444 -4.640 1.00 3.05 C ATOM 1374 CD GLU A 91 -4.210 35.610 -4.334 1.00 31.42 C ATOM 1375 OE1 GLU A 91 -3.941 34.650 -5.086 1.00 54.25 O ATOM 1376 OE2 GLU A 91 -3.517 35.917 -3.341 1.00 70.13 O ATOM 0 H GLU A 91 -5.428 37.160 -8.540 1.00 23.11 H new ATOM 0 HA GLU A 91 -5.841 38.783 -6.243 1.00 53.11 H new ATOM 0 HB2 GLU A 91 -6.712 36.528 -6.356 1.00 55.43 H new ATOM 0 HB3 GLU A 91 -5.122 35.862 -6.673 1.00 55.43 H new ATOM 0 HG2 GLU A 91 -5.344 37.416 -4.156 1.00 3.05 H new ATOM 0 HG3 GLU A 91 -6.317 35.960 -4.213 1.00 3.05 H new ATOM 1383 N ALA A 92 -2.783 37.728 -6.851 1.00 3.24 N ATOM 1384 CA ALA A 92 -1.383 37.915 -6.489 1.00 61.42 C ATOM 1385 C ALA A 92 -1.038 39.396 -6.374 1.00 33.42 C ATOM 1386 O ALA A 92 -0.426 39.825 -5.396 1.00 70.33 O ATOM 1387 CB ALA A 92 -0.480 37.239 -7.510 1.00 63.41 C ATOM 0 H ALA A 92 -2.932 37.143 -7.673 1.00 3.24 H new ATOM 0 HA ALA A 92 -1.221 37.455 -5.514 1.00 61.42 H new ATOM 0 HB1 ALA A 92 0.562 37.386 -7.228 1.00 63.41 H new ATOM 0 HB2 ALA A 92 -0.700 36.172 -7.541 1.00 63.41 H new ATOM 0 HB3 ALA A 92 -0.654 37.674 -8.494 1.00 63.41 H new ATOM 1393 N GLN A 93 -1.435 40.171 -7.378 1.00 31.21 N ATOM 1394 CA GLN A 93 -1.166 41.604 -7.388 1.00 71.24 C ATOM 1395 C GLN A 93 -1.853 42.295 -6.215 1.00 52.24 C ATOM 1396 O GLN A 93 -1.224 43.046 -5.471 1.00 24.23 O ATOM 1397 CB GLN A 93 -1.635 42.223 -8.706 1.00 72.53 C ATOM 1398 CG GLN A 93 -0.677 41.989 -9.863 1.00 70.11 C ATOM 1399 CD GLN A 93 -1.254 42.424 -11.196 1.00 32.42 C ATOM 1400 OE1 GLN A 93 -2.257 41.879 -11.659 1.00 22.24 O ATOM 1401 NE2 GLN A 93 -0.623 43.410 -11.821 1.00 42.41 N ATOM 0 H GLN A 93 -1.944 39.831 -8.194 1.00 31.21 H new ATOM 0 HA GLN A 93 -0.090 41.747 -7.290 1.00 71.24 H new ATOM 0 HB2 GLN A 93 -2.611 41.811 -8.964 1.00 72.53 H new ATOM 0 HB3 GLN A 93 -1.768 43.296 -8.567 1.00 72.53 H new ATOM 0 HG2 GLN A 93 0.250 42.532 -9.678 1.00 70.11 H new ATOM 0 HG3 GLN A 93 -0.422 40.930 -9.910 1.00 70.11 H new ATOM 0 HE21 GLN A 93 0.205 43.833 -11.401 1.00 42.41 H new ATOM 0 HE22 GLN A 93 -0.966 43.745 -12.721 1.00 42.41 H new ATOM 1410 N GLN A 94 -3.147 42.037 -6.058 1.00 74.22 N ATOM 1411 CA GLN A 94 -3.920 42.636 -4.976 1.00 24.20 C ATOM 1412 C GLN A 94 -3.275 42.349 -3.624 1.00 3.41 C ATOM 1413 O GLN A 94 -3.082 43.254 -2.811 1.00 41.42 O ATOM 1414 CB GLN A 94 -5.355 42.107 -4.992 1.00 1.10 C ATOM 1415 CG GLN A 94 -6.321 42.945 -4.170 1.00 51.24 C ATOM 1416 CD GLN A 94 -6.842 42.209 -2.952 1.00 21.01 C ATOM 1417 OE1 GLN A 94 -6.633 42.638 -1.817 1.00 30.02 O ATOM 1418 NE2 GLN A 94 -7.525 41.093 -3.181 1.00 42.40 N ATOM 0 H GLN A 94 -3.682 41.417 -6.666 1.00 74.22 H new ATOM 0 HA GLN A 94 -3.937 43.715 -5.129 1.00 24.20 H new ATOM 0 HB2 GLN A 94 -5.707 42.067 -6.023 1.00 1.10 H new ATOM 0 HB3 GLN A 94 -5.361 41.085 -4.614 1.00 1.10 H new ATOM 0 HG2 GLN A 94 -5.821 43.860 -3.851 1.00 51.24 H new ATOM 0 HG3 GLN A 94 -7.162 43.243 -4.797 1.00 51.24 H new ATOM 0 HE21 GLN A 94 -7.675 40.774 -4.138 1.00 42.40 H new ATOM 0 HE22 GLN A 94 -7.900 40.555 -2.400 1.00 42.40 H new ATOM 1427 N THR A 95 -2.943 41.084 -3.388 1.00 63.22 N ATOM 1428 CA THR A 95 -2.321 40.678 -2.134 1.00 70.42 C ATOM 1429 C THR A 95 -0.969 41.356 -1.946 1.00 30.03 C ATOM 1430 O THR A 95 -0.547 41.621 -0.819 1.00 73.50 O ATOM 1431 CB THR A 95 -2.130 39.150 -2.071 1.00 4.51 C ATOM 1432 OG1 THR A 95 -3.397 38.493 -2.182 1.00 22.15 O ATOM 1433 CG2 THR A 95 -1.453 38.743 -0.771 1.00 11.34 C ATOM 0 H THR A 95 -3.095 40.322 -4.049 1.00 63.22 H new ATOM 0 HA THR A 95 -2.993 40.986 -1.333 1.00 70.42 H new ATOM 0 HB THR A 95 -1.493 38.851 -2.903 1.00 4.51 H new ATOM 0 HG1 THR A 95 -3.277 37.623 -2.617 1.00 22.15 H new ATOM 0 HG21 THR A 95 -1.329 37.660 -0.749 1.00 11.34 H new ATOM 0 HG22 THR A 95 -0.476 39.222 -0.704 1.00 11.34 H new ATOM 0 HG23 THR A 95 -2.068 39.055 0.073 1.00 11.34 H new ATOM 1441 N LEU A 96 -0.293 41.636 -3.055 1.00 14.14 N ATOM 1442 CA LEU A 96 1.012 42.285 -3.012 1.00 3.54 C ATOM 1443 C LEU A 96 0.882 43.743 -2.581 1.00 73.03 C ATOM 1444 O LEU A 96 1.806 44.315 -2.005 1.00 24.40 O ATOM 1445 CB LEU A 96 1.689 42.205 -4.381 1.00 23.21 C ATOM 1446 CG LEU A 96 3.088 42.815 -4.475 1.00 41.21 C ATOM 1447 CD1 LEU A 96 4.146 41.723 -4.505 1.00 41.14 C ATOM 1448 CD2 LEU A 96 3.201 43.704 -5.705 1.00 74.55 C ATOM 0 H LEU A 96 -0.627 41.424 -3.995 1.00 14.14 H new ATOM 0 HA LEU A 96 1.626 41.762 -2.279 1.00 3.54 H new ATOM 0 HB2 LEU A 96 1.751 41.157 -4.672 1.00 23.21 H new ATOM 0 HB3 LEU A 96 1.048 42.701 -5.110 1.00 23.21 H new ATOM 0 HG LEU A 96 3.255 43.430 -3.591 1.00 41.21 H new ATOM 0 HD11 LEU A 96 5.135 42.176 -4.572 1.00 41.14 H new ATOM 0 HD12 LEU A 96 4.081 41.128 -3.594 1.00 41.14 H new ATOM 0 HD13 LEU A 96 3.982 41.081 -5.370 1.00 41.14 H new ATOM 0 HD21 LEU A 96 4.203 44.130 -5.756 1.00 74.55 H new ATOM 0 HD22 LEU A 96 3.013 43.112 -6.600 1.00 74.55 H new ATOM 0 HD23 LEU A 96 2.468 44.508 -5.641 1.00 74.55 H new ATOM 1460 N GLU A 97 -0.274 44.337 -2.864 1.00 23.13 N ATOM 1461 CA GLU A 97 -0.525 45.728 -2.504 1.00 61.51 C ATOM 1462 C GLU A 97 -0.766 45.866 -1.004 1.00 1.53 C ATOM 1463 O GLU A 97 -0.128 46.680 -0.335 1.00 1.12 O ATOM 1464 CB GLU A 97 -1.730 46.268 -3.277 1.00 64.24 C ATOM 1465 CG GLU A 97 -1.411 47.487 -4.127 1.00 22.41 C ATOM 1466 CD GLU A 97 -1.222 47.143 -5.592 1.00 5.32 C ATOM 1467 OE1 GLU A 97 -2.236 46.910 -6.282 1.00 32.35 O ATOM 1468 OE2 GLU A 97 -0.060 47.108 -6.048 1.00 62.02 O ATOM 0 H GLU A 97 -1.050 43.877 -3.341 1.00 23.13 H new ATOM 0 HA GLU A 97 0.358 46.310 -2.768 1.00 61.51 H new ATOM 0 HB2 GLU A 97 -2.122 45.480 -3.920 1.00 64.24 H new ATOM 0 HB3 GLU A 97 -2.519 46.525 -2.570 1.00 64.24 H new ATOM 0 HG2 GLU A 97 -2.217 48.214 -4.029 1.00 22.41 H new ATOM 0 HG3 GLU A 97 -0.505 47.962 -3.749 1.00 22.41 H new ATOM 1475 N ILE A 98 -1.691 45.067 -0.483 1.00 3.45 N ATOM 1476 CA ILE A 98 -2.016 45.101 0.938 1.00 63.40 C ATOM 1477 C ILE A 98 -0.782 44.826 1.791 1.00 43.32 C ATOM 1478 O ILE A 98 -0.606 45.418 2.855 1.00 14.14 O ATOM 1479 CB ILE A 98 -3.108 44.073 1.290 1.00 42.32 C ATOM 1480 CG1 ILE A 98 -2.704 42.680 0.803 1.00 41.10 C ATOM 1481 CG2 ILE A 98 -4.440 44.487 0.682 1.00 2.12 C ATOM 1482 CD1 ILE A 98 -3.751 41.621 1.067 1.00 22.31 C ATOM 0 H ILE A 98 -2.228 44.389 -1.023 1.00 3.45 H new ATOM 0 HA ILE A 98 -2.388 46.103 1.153 1.00 63.40 H new ATOM 0 HB ILE A 98 -3.220 44.040 2.374 1.00 42.32 H new ATOM 0 HG12 ILE A 98 -2.503 42.722 -0.268 1.00 41.10 H new ATOM 0 HG13 ILE A 98 -1.774 42.389 1.291 1.00 41.10 H new ATOM 0 HG21 ILE A 98 -5.202 43.751 0.939 1.00 2.12 H new ATOM 0 HG22 ILE A 98 -4.731 45.462 1.073 1.00 2.12 H new ATOM 0 HG23 ILE A 98 -4.343 44.545 -0.402 1.00 2.12 H new ATOM 0 HD11 ILE A 98 -3.397 40.659 0.696 1.00 22.31 H new ATOM 0 HD12 ILE A 98 -3.935 41.551 2.139 1.00 22.31 H new ATOM 0 HD13 ILE A 98 -4.676 41.889 0.557 1.00 22.31 H new ATOM 1494 N ALA A 99 0.072 43.926 1.314 1.00 32.14 N ATOM 1495 CA ALA A 99 1.292 43.576 2.031 1.00 71.20 C ATOM 1496 C ALA A 99 2.229 44.774 2.137 1.00 23.20 C ATOM 1497 O ALA A 99 2.634 45.161 3.233 1.00 52.24 O ATOM 1498 CB ALA A 99 1.993 42.414 1.343 1.00 20.20 C ATOM 0 H ALA A 99 -0.059 43.426 0.434 1.00 32.14 H new ATOM 0 HA ALA A 99 1.017 43.273 3.041 1.00 71.20 H new ATOM 0 HB1 ALA A 99 2.902 42.163 1.889 1.00 20.20 H new ATOM 0 HB2 ALA A 99 1.330 41.549 1.325 1.00 20.20 H new ATOM 0 HB3 ALA A 99 2.249 42.697 0.322 1.00 20.20 H new ATOM 1504 N GLU A 100 2.571 45.355 0.991 1.00 12.54 N ATOM 1505 CA GLU A 100 3.462 46.509 0.957 1.00 24.22 C ATOM 1506 C GLU A 100 2.854 47.689 1.708 1.00 13.53 C ATOM 1507 O GLU A 100 3.560 48.445 2.375 1.00 50.54 O ATOM 1508 CB GLU A 100 3.759 46.909 -0.490 1.00 24.05 C ATOM 1509 CG GLU A 100 5.060 47.676 -0.654 1.00 5.41 C ATOM 1510 CD GLU A 100 4.868 49.007 -1.355 1.00 43.11 C ATOM 1511 OE1 GLU A 100 4.287 49.018 -2.460 1.00 32.30 O ATOM 1512 OE2 GLU A 100 5.300 50.038 -0.798 1.00 13.31 O ATOM 0 H GLU A 100 2.245 45.046 0.075 1.00 12.54 H new ATOM 0 HA GLU A 100 4.394 46.230 1.448 1.00 24.22 H new ATOM 0 HB2 GLU A 100 3.796 46.011 -1.106 1.00 24.05 H new ATOM 0 HB3 GLU A 100 2.937 47.519 -0.865 1.00 24.05 H new ATOM 0 HG2 GLU A 100 5.503 47.847 0.327 1.00 5.41 H new ATOM 0 HG3 GLU A 100 5.766 47.069 -1.221 1.00 5.41 H new ATOM 1519 N ALA A 101 1.538 47.841 1.595 1.00 63.15 N ATOM 1520 CA ALA A 101 0.834 48.928 2.263 1.00 33.42 C ATOM 1521 C ALA A 101 0.843 48.739 3.776 1.00 4.24 C ATOM 1522 O ALA A 101 0.960 49.704 4.531 1.00 54.14 O ATOM 1523 CB ALA A 101 -0.596 49.024 1.751 1.00 44.34 C ATOM 0 H ALA A 101 0.938 47.224 1.047 1.00 63.15 H new ATOM 0 HA ALA A 101 1.354 49.859 2.035 1.00 33.42 H new ATOM 0 HB1 ALA A 101 -1.110 49.840 2.259 1.00 44.34 H new ATOM 0 HB2 ALA A 101 -0.586 49.213 0.678 1.00 44.34 H new ATOM 0 HB3 ALA A 101 -1.117 48.088 1.950 1.00 44.34 H new ATOM 1529 N ASN A 102 0.720 47.490 4.213 1.00 12.03 N ATOM 1530 CA ASN A 102 0.713 47.176 5.637 1.00 21.44 C ATOM 1531 C ASN A 102 2.016 47.616 6.298 1.00 52.50 C ATOM 1532 O ASN A 102 2.005 48.315 7.313 1.00 70.24 O ATOM 1533 CB ASN A 102 0.504 45.675 5.849 1.00 74.25 C ATOM 1534 CG ASN A 102 -0.963 45.304 5.950 1.00 55.43 C ATOM 1535 OD1 ASN A 102 -1.835 46.173 5.958 1.00 14.43 O ATOM 1536 ND2 ASN A 102 -1.242 44.008 6.027 1.00 13.31 N ATOM 0 H ASN A 102 0.624 46.679 3.602 1.00 12.03 H new ATOM 0 HA ASN A 102 -0.111 47.720 6.099 1.00 21.44 H new ATOM 0 HB2 ASN A 102 0.958 45.128 5.023 1.00 74.25 H new ATOM 0 HB3 ASN A 102 1.018 45.364 6.759 1.00 74.25 H new ATOM 0 HD21 ASN A 102 -2.211 43.698 6.096 1.00 13.31 H new ATOM 0 HD22 ASN A 102 -0.487 43.322 6.017 1.00 13.31 H new ATOM 1543 N LEU A 103 3.137 47.205 5.716 1.00 74.22 N ATOM 1544 CA LEU A 103 4.449 47.557 6.247 1.00 52.51 C ATOM 1545 C LEU A 103 4.707 49.054 6.110 1.00 44.43 C ATOM 1546 O LEU A 103 5.472 49.636 6.880 1.00 32.51 O ATOM 1547 CB LEU A 103 5.542 46.771 5.522 1.00 24.11 C ATOM 1548 CG LEU A 103 6.480 45.951 6.409 1.00 35.24 C ATOM 1549 CD1 LEU A 103 7.281 44.966 5.572 1.00 20.05 C ATOM 1550 CD2 LEU A 103 7.408 46.866 7.194 1.00 41.32 C ATOM 0 H LEU A 103 3.164 46.627 4.876 1.00 74.22 H new ATOM 0 HA LEU A 103 4.467 47.299 7.306 1.00 52.51 H new ATOM 0 HB2 LEU A 103 5.065 46.097 4.811 1.00 24.11 H new ATOM 0 HB3 LEU A 103 6.143 47.472 4.943 1.00 24.11 H new ATOM 0 HG LEU A 103 5.876 45.385 7.118 1.00 35.24 H new ATOM 0 HD11 LEU A 103 7.943 44.392 6.220 1.00 20.05 H new ATOM 0 HD12 LEU A 103 6.600 44.289 5.057 1.00 20.05 H new ATOM 0 HD13 LEU A 103 7.875 45.511 4.838 1.00 20.05 H new ATOM 0 HD21 LEU A 103 8.068 46.265 7.819 1.00 41.32 H new ATOM 0 HD22 LEU A 103 8.005 47.459 6.502 1.00 41.32 H new ATOM 0 HD23 LEU A 103 6.817 47.530 7.824 1.00 41.32 H new ATOM 1562 N ARG A 104 4.064 49.673 5.125 1.00 14.13 N ATOM 1563 CA ARG A 104 4.223 51.103 4.888 1.00 61.31 C ATOM 1564 C ARG A 104 3.919 51.901 6.152 1.00 24.04 C ATOM 1565 O ARG A 104 4.815 52.489 6.759 1.00 22.42 O ATOM 1566 CB ARG A 104 3.306 51.558 3.752 1.00 54.23 C ATOM 1567 CG ARG A 104 4.054 52.109 2.549 1.00 55.42 C ATOM 1568 CD ARG A 104 3.114 52.816 1.584 1.00 33.42 C ATOM 1569 NE ARG A 104 3.148 54.266 1.750 1.00 43.24 N ATOM 1570 CZ ARG A 104 2.461 55.109 0.987 1.00 3.51 C ATOM 1571 NH1 ARG A 104 1.690 54.649 0.012 1.00 31.20 N ATOM 1572 NH2 ARG A 104 2.545 56.417 1.200 1.00 74.45 N ATOM 0 H ARG A 104 3.428 49.207 4.478 1.00 14.13 H new ATOM 0 HA ARG A 104 5.260 51.286 4.605 1.00 61.31 H new ATOM 0 HB2 ARG A 104 2.692 50.716 3.433 1.00 54.23 H new ATOM 0 HB3 ARG A 104 2.627 52.323 4.129 1.00 54.23 H new ATOM 0 HG2 ARG A 104 4.823 52.805 2.885 1.00 55.42 H new ATOM 0 HG3 ARG A 104 4.563 51.296 2.032 1.00 55.42 H new ATOM 0 HD2 ARG A 104 3.388 52.562 0.560 1.00 33.42 H new ATOM 0 HD3 ARG A 104 2.097 52.457 1.741 1.00 33.42 H new ATOM 0 HE ARG A 104 3.731 54.653 2.492 1.00 43.24 H new ATOM 0 HH11 ARG A 104 1.623 53.645 -0.154 1.00 31.20 H new ATOM 0 HH12 ARG A 104 1.164 55.299 -0.572 1.00 31.20 H new ATOM 0 HH21 ARG A 104 3.137 56.775 1.950 1.00 74.45 H new ATOM 0 HH22 ARG A 104 2.017 57.064 0.614 1.00 74.45 H new ATOM 1586 N LYS A 105 2.650 51.918 6.544 1.00 11.23 N ATOM 1587 CA LYS A 105 2.226 52.643 7.736 1.00 24.05 C ATOM 1588 C LYS A 105 1.636 51.691 8.771 1.00 33.42 C ATOM 1589 O LYS A 105 1.874 51.836 9.970 1.00 63.23 O ATOM 1590 CB LYS A 105 1.198 53.715 7.368 1.00 32.33 C ATOM 1591 CG LYS A 105 0.992 54.758 8.453 1.00 73.12 C ATOM 1592 CD LYS A 105 -0.065 55.775 8.055 1.00 70.31 C ATOM 1593 CE LYS A 105 0.563 57.038 7.486 1.00 21.21 C ATOM 1594 NZ LYS A 105 0.911 58.014 8.555 1.00 14.42 N ATOM 0 H LYS A 105 1.896 51.437 6.053 1.00 11.23 H new ATOM 0 HA LYS A 105 3.103 53.124 8.169 1.00 24.05 H new ATOM 0 HB2 LYS A 105 1.517 54.213 6.453 1.00 32.33 H new ATOM 0 HB3 LYS A 105 0.244 53.233 7.153 1.00 32.33 H new ATOM 0 HG2 LYS A 105 0.695 54.267 9.380 1.00 73.12 H new ATOM 0 HG3 LYS A 105 1.934 55.269 8.651 1.00 73.12 H new ATOM 0 HD2 LYS A 105 -0.734 55.335 7.316 1.00 70.31 H new ATOM 0 HD3 LYS A 105 -0.672 56.029 8.924 1.00 70.31 H new ATOM 0 HE2 LYS A 105 1.461 56.777 6.926 1.00 21.21 H new ATOM 0 HE3 LYS A 105 -0.128 57.502 6.782 1.00 21.21 H new ATOM 0 HZ1 LYS A 105 1.336 58.861 8.127 1.00 14.42 H new ATOM 0 HZ2 LYS A 105 0.050 58.283 9.073 1.00 14.42 H new ATOM 0 HZ3 LYS A 105 1.590 57.581 9.213 1.00 14.42 H new ATOM 1608 N ALA A 106 0.865 50.716 8.300 1.00 63.33 N ATOM 1609 CA ALA A 106 0.244 49.738 9.184 1.00 70.41 C ATOM 1610 C ALA A 106 1.297 48.942 9.948 1.00 35.31 C ATOM 1611 O ALA A 106 2.484 49.259 9.899 1.00 42.43 O ATOM 1612 CB ALA A 106 -0.654 48.802 8.388 1.00 25.40 C ATOM 0 H ALA A 106 0.656 50.583 7.311 1.00 63.33 H new ATOM 0 HA ALA A 106 -0.364 50.276 9.911 1.00 70.41 H new ATOM 0 HB1 ALA A 106 -1.111 48.077 9.061 1.00 25.40 H new ATOM 0 HB2 ALA A 106 -1.434 49.380 7.893 1.00 25.40 H new ATOM 0 HB3 ALA A 106 -0.060 48.278 7.639 1.00 25.40 H new ATOM 1618 N GLU A 107 0.852 47.907 10.654 1.00 21.32 N ATOM 1619 CA GLU A 107 1.757 47.067 11.430 1.00 62.11 C ATOM 1620 C GLU A 107 2.832 46.455 10.536 1.00 71.20 C ATOM 1621 O GLU A 107 2.875 46.712 9.334 1.00 44.42 O ATOM 1622 CB GLU A 107 0.977 45.959 12.140 1.00 23.34 C ATOM 1623 CG GLU A 107 0.913 46.131 13.649 1.00 74.23 C ATOM 1624 CD GLU A 107 2.232 45.818 14.329 1.00 55.54 C ATOM 1625 OE1 GLU A 107 2.846 44.786 13.988 1.00 54.12 O ATOM 1626 OE2 GLU A 107 2.649 46.607 15.202 1.00 45.51 O ATOM 0 H GLU A 107 -0.128 47.630 10.705 1.00 21.32 H new ATOM 0 HA GLU A 107 2.244 47.694 12.177 1.00 62.11 H new ATOM 0 HB2 GLU A 107 -0.038 45.929 11.743 1.00 23.34 H new ATOM 0 HB3 GLU A 107 1.438 44.998 11.911 1.00 23.34 H new ATOM 0 HG2 GLU A 107 0.623 47.155 13.882 1.00 74.23 H new ATOM 0 HG3 GLU A 107 0.137 45.480 14.052 1.00 74.23 H new ATOM 1633 N GLY A 108 3.699 45.643 11.134 1.00 73.44 N ATOM 1634 CA GLY A 108 4.762 45.007 10.378 1.00 60.12 C ATOM 1635 C GLY A 108 4.334 43.683 9.777 1.00 64.31 C ATOM 1636 O GLY A 108 3.166 43.495 9.441 1.00 73.53 O ATOM 0 H GLY A 108 3.684 45.415 12.128 1.00 73.44 H new ATOM 0 HA2 GLY A 108 5.087 45.676 9.581 1.00 60.12 H new ATOM 0 HA3 GLY A 108 5.621 44.846 11.030 1.00 60.12 H new ATOM 1640 N ALA A 109 5.284 42.763 9.640 1.00 72.22 N ATOM 1641 CA ALA A 109 4.999 41.449 9.075 1.00 1.45 C ATOM 1642 C ALA A 109 3.885 40.750 9.847 1.00 53.33 C ATOM 1643 O ALA A 109 3.188 39.891 9.307 1.00 60.22 O ATOM 1644 CB ALA A 109 6.257 40.593 9.070 1.00 50.42 C ATOM 0 H ALA A 109 6.257 42.903 9.912 1.00 72.22 H new ATOM 0 HA ALA A 109 4.662 41.587 8.048 1.00 1.45 H new ATOM 0 HB1 ALA A 109 6.030 39.615 8.646 1.00 50.42 H new ATOM 0 HB2 ALA A 109 7.026 41.079 8.470 1.00 50.42 H new ATOM 0 HB3 ALA A 109 6.618 40.471 10.091 1.00 50.42 H new ATOM 1650 N ARG A 110 3.722 41.124 11.112 1.00 44.03 N ATOM 1651 CA ARG A 110 2.694 40.531 11.957 1.00 15.05 C ATOM 1652 C ARG A 110 1.315 40.674 11.318 1.00 23.23 C ATOM 1653 O ARG A 110 0.520 39.735 11.322 1.00 54.14 O ATOM 1654 CB ARG A 110 2.697 41.188 13.339 1.00 44.52 C ATOM 1655 CG ARG A 110 3.757 40.631 14.276 1.00 53.24 C ATOM 1656 CD ARG A 110 4.314 41.710 15.191 1.00 34.14 C ATOM 1657 NE ARG A 110 5.767 41.813 15.095 1.00 42.01 N ATOM 1658 CZ ARG A 110 6.507 42.554 15.912 1.00 23.33 C ATOM 1659 NH1 ARG A 110 5.933 43.252 16.882 1.00 0.10 N ATOM 1660 NH2 ARG A 110 7.825 42.596 15.761 1.00 52.31 N ATOM 0 H ARG A 110 4.289 41.835 11.574 1.00 44.03 H new ATOM 0 HA ARG A 110 2.917 39.470 12.066 1.00 15.05 H new ATOM 0 HB2 ARG A 110 2.855 42.260 13.222 1.00 44.52 H new ATOM 0 HB3 ARG A 110 1.716 41.058 13.796 1.00 44.52 H new ATOM 0 HG2 ARG A 110 3.328 39.829 14.877 1.00 53.24 H new ATOM 0 HG3 ARG A 110 4.567 40.194 13.692 1.00 53.24 H new ATOM 0 HD2 ARG A 110 3.865 42.670 14.935 1.00 34.14 H new ATOM 0 HD3 ARG A 110 4.033 41.492 16.221 1.00 34.14 H new ATOM 0 HE ARG A 110 6.240 41.287 14.360 1.00 42.01 H new ATOM 0 HH11 ARG A 110 4.921 43.221 17.002 1.00 0.10 H new ATOM 0 HH12 ARG A 110 6.504 43.820 17.508 1.00 0.10 H new ATOM 0 HH21 ARG A 110 8.270 42.059 15.017 1.00 52.31 H new ATOM 0 HH22 ARG A 110 8.392 43.165 16.389 1.00 52.31 H new ATOM 1674 N GLN A 111 1.042 41.854 10.772 1.00 54.02 N ATOM 1675 CA GLN A 111 -0.241 42.119 10.130 1.00 3.24 C ATOM 1676 C GLN A 111 -0.401 41.281 8.866 1.00 21.14 C ATOM 1677 O GLN A 111 -1.503 40.846 8.533 1.00 71.44 O ATOM 1678 CB GLN A 111 -0.367 43.605 9.790 1.00 11.33 C ATOM 1679 CG GLN A 111 -1.691 43.970 9.139 1.00 74.10 C ATOM 1680 CD GLN A 111 -2.810 44.140 10.147 1.00 13.54 C ATOM 1681 OE1 GLN A 111 -3.402 43.163 10.607 1.00 3.12 O ATOM 1682 NE2 GLN A 111 -3.107 45.387 10.498 1.00 72.54 N ATOM 0 H GLN A 111 1.691 42.641 10.761 1.00 54.02 H new ATOM 0 HA GLN A 111 -1.032 41.844 10.828 1.00 3.24 H new ATOM 0 HB2 GLN A 111 -0.247 44.189 10.702 1.00 11.33 H new ATOM 0 HB3 GLN A 111 0.447 43.887 9.122 1.00 11.33 H new ATOM 0 HG2 GLN A 111 -1.571 44.895 8.575 1.00 74.10 H new ATOM 0 HG3 GLN A 111 -1.966 43.194 8.424 1.00 74.10 H new ATOM 0 HE21 GLN A 111 -2.591 46.168 10.092 1.00 72.54 H new ATOM 0 HE22 GLN A 111 -3.851 45.563 11.173 1.00 72.54 H new ATOM 1691 N LYS A 112 0.706 41.058 8.166 1.00 1.11 N ATOM 1692 CA LYS A 112 0.690 40.271 6.939 1.00 41.13 C ATOM 1693 C LYS A 112 0.237 38.841 7.215 1.00 14.21 C ATOM 1694 O LYS A 112 -0.576 38.284 6.477 1.00 55.53 O ATOM 1695 CB LYS A 112 2.079 40.262 6.296 1.00 21.34 C ATOM 1696 CG LYS A 112 2.157 39.432 5.027 1.00 75.32 C ATOM 1697 CD LYS A 112 2.319 40.308 3.796 1.00 5.45 C ATOM 1698 CE LYS A 112 3.650 41.045 3.809 1.00 1.23 C ATOM 1699 NZ LYS A 112 4.601 40.491 2.806 1.00 31.54 N ATOM 0 H LYS A 112 1.626 41.412 8.428 1.00 1.11 H new ATOM 0 HA LYS A 112 -0.019 40.732 6.251 1.00 41.13 H new ATOM 0 HB2 LYS A 112 2.371 41.287 6.068 1.00 21.34 H new ATOM 0 HB3 LYS A 112 2.801 39.878 7.016 1.00 21.34 H new ATOM 0 HG2 LYS A 112 2.996 38.740 5.095 1.00 75.32 H new ATOM 0 HG3 LYS A 112 1.254 38.829 4.929 1.00 75.32 H new ATOM 0 HD2 LYS A 112 2.251 39.693 2.899 1.00 5.45 H new ATOM 0 HD3 LYS A 112 1.503 41.029 3.751 1.00 5.45 H new ATOM 0 HE2 LYS A 112 3.482 42.102 3.604 1.00 1.23 H new ATOM 0 HE3 LYS A 112 4.092 40.979 4.803 1.00 1.23 H new ATOM 0 HZ1 LYS A 112 5.401 41.145 2.689 1.00 31.54 H new ATOM 0 HZ2 LYS A 112 4.952 39.569 3.133 1.00 31.54 H new ATOM 0 HZ3 LYS A 112 4.114 40.372 1.895 1.00 31.54 H new ATOM 1713 N ILE A 113 0.766 38.253 8.283 1.00 40.43 N ATOM 1714 CA ILE A 113 0.413 36.890 8.657 1.00 30.40 C ATOM 1715 C ILE A 113 -1.070 36.779 8.996 1.00 24.12 C ATOM 1716 O ILE A 113 -1.760 35.881 8.516 1.00 32.34 O ATOM 1717 CB ILE A 113 1.241 36.404 9.861 1.00 2.02 C ATOM 1718 CG1 ILE A 113 2.737 36.503 9.553 1.00 74.24 C ATOM 1719 CG2 ILE A 113 0.863 34.976 10.223 1.00 73.40 C ATOM 1720 CD1 ILE A 113 3.616 36.379 10.777 1.00 12.03 C ATOM 0 H ILE A 113 1.441 38.700 8.904 1.00 40.43 H new ATOM 0 HA ILE A 113 0.635 36.259 7.796 1.00 30.40 H new ATOM 0 HB ILE A 113 1.022 37.045 10.715 1.00 2.02 H new ATOM 0 HG12 ILE A 113 3.006 35.722 8.842 1.00 74.24 H new ATOM 0 HG13 ILE A 113 2.937 37.458 9.067 1.00 74.24 H new ATOM 0 HG21 ILE A 113 1.457 34.647 11.076 1.00 73.40 H new ATOM 0 HG22 ILE A 113 -0.195 34.934 10.480 1.00 73.40 H new ATOM 0 HG23 ILE A 113 1.056 34.322 9.373 1.00 73.40 H new ATOM 0 HD11 ILE A 113 4.663 36.458 10.483 1.00 12.03 H new ATOM 0 HD12 ILE A 113 3.375 37.176 11.480 1.00 12.03 H new ATOM 0 HD13 ILE A 113 3.445 35.413 11.252 1.00 12.03 H new ATOM 1732 N GLU A 114 -1.552 37.700 9.825 1.00 61.30 N ATOM 1733 CA GLU A 114 -2.953 37.705 10.227 1.00 15.42 C ATOM 1734 C GLU A 114 -3.869 37.768 9.008 1.00 71.40 C ATOM 1735 O GLU A 114 -4.917 37.123 8.972 1.00 63.01 O ATOM 1736 CB GLU A 114 -3.237 38.891 11.152 1.00 23.24 C ATOM 1737 CG GLU A 114 -2.576 38.770 12.515 1.00 13.44 C ATOM 1738 CD GLU A 114 -3.373 37.910 13.476 1.00 35.40 C ATOM 1739 OE1 GLU A 114 -4.619 37.929 13.397 1.00 74.44 O ATOM 1740 OE2 GLU A 114 -2.750 37.216 14.307 1.00 13.33 O ATOM 0 H GLU A 114 -0.993 38.451 10.230 1.00 61.30 H new ATOM 0 HA GLU A 114 -3.153 36.778 10.764 1.00 15.42 H new ATOM 0 HB2 GLU A 114 -2.894 39.807 10.671 1.00 23.24 H new ATOM 0 HB3 GLU A 114 -4.314 38.986 11.287 1.00 23.24 H new ATOM 0 HG2 GLU A 114 -1.579 38.346 12.395 1.00 13.44 H new ATOM 0 HG3 GLU A 114 -2.450 39.765 12.943 1.00 13.44 H new ATOM 1747 N ALA A 115 -3.466 38.549 8.012 1.00 64.15 N ATOM 1748 CA ALA A 115 -4.248 38.695 6.790 1.00 22.23 C ATOM 1749 C ALA A 115 -4.100 37.470 5.894 1.00 31.11 C ATOM 1750 O ALA A 115 -5.028 37.098 5.177 1.00 11.41 O ATOM 1751 CB ALA A 115 -3.829 39.952 6.042 1.00 32.04 C ATOM 0 H ALA A 115 -2.602 39.091 8.027 1.00 64.15 H new ATOM 0 HA ALA A 115 -5.298 38.784 7.069 1.00 22.23 H new ATOM 0 HB1 ALA A 115 -4.421 40.048 5.132 1.00 32.04 H new ATOM 0 HB2 ALA A 115 -3.993 40.824 6.675 1.00 32.04 H new ATOM 0 HB3 ALA A 115 -2.772 39.886 5.782 1.00 32.04 H new ATOM 1757 N ASN A 116 -2.927 36.847 5.940 1.00 41.02 N ATOM 1758 CA ASN A 116 -2.657 35.664 5.130 1.00 15.13 C ATOM 1759 C ASN A 116 -3.507 34.484 5.592 1.00 23.14 C ATOM 1760 O ASN A 116 -4.174 33.832 4.788 1.00 41.22 O ATOM 1761 CB ASN A 116 -1.174 35.298 5.202 1.00 4.44 C ATOM 1762 CG ASN A 116 -0.448 35.568 3.898 1.00 23.14 C ATOM 1763 OD1 ASN A 116 0.346 36.503 3.799 1.00 43.50 O ATOM 1764 ND2 ASN A 116 -0.718 34.747 2.890 1.00 20.34 N ATOM 0 H ASN A 116 -2.148 37.141 6.529 1.00 41.02 H new ATOM 0 HA ASN A 116 -2.917 35.894 4.097 1.00 15.13 H new ATOM 0 HB2 ASN A 116 -0.701 35.866 6.003 1.00 4.44 H new ATOM 0 HB3 ASN A 116 -1.075 34.243 5.458 1.00 4.44 H new ATOM 0 HD21 ASN A 116 -0.260 34.879 1.988 1.00 20.34 H new ATOM 0 HD22 ASN A 116 -1.384 33.985 3.017 1.00 20.34 H new ATOM 1771 N LEU A 117 -3.477 34.215 6.893 1.00 75.51 N ATOM 1772 CA LEU A 117 -4.245 33.113 7.464 1.00 70.05 C ATOM 1773 C LEU A 117 -5.743 33.379 7.354 1.00 0.13 C ATOM 1774 O LEU A 117 -6.534 32.458 7.154 1.00 70.10 O ATOM 1775 CB LEU A 117 -3.859 32.901 8.928 1.00 5.13 C ATOM 1776 CG LEU A 117 -4.035 34.108 9.850 1.00 2.13 C ATOM 1777 CD1 LEU A 117 -5.387 34.057 10.544 1.00 21.35 C ATOM 1778 CD2 LEU A 117 -2.910 34.166 10.873 1.00 2.45 C ATOM 0 H LEU A 117 -2.930 34.744 7.572 1.00 75.51 H new ATOM 0 HA LEU A 117 -4.013 32.210 6.900 1.00 70.05 H new ATOM 0 HB2 LEU A 117 -4.453 32.077 9.324 1.00 5.13 H new ATOM 0 HB3 LEU A 117 -2.815 32.589 8.966 1.00 5.13 H new ATOM 0 HG LEU A 117 -3.995 35.013 9.244 1.00 2.13 H new ATOM 0 HD11 LEU A 117 -5.494 34.924 11.196 1.00 21.35 H new ATOM 0 HD12 LEU A 117 -6.180 34.065 9.796 1.00 21.35 H new ATOM 0 HD13 LEU A 117 -5.457 33.146 11.138 1.00 21.35 H new ATOM 0 HD21 LEU A 117 -3.051 35.031 11.521 1.00 2.45 H new ATOM 0 HD22 LEU A 117 -2.918 33.257 11.475 1.00 2.45 H new ATOM 0 HD23 LEU A 117 -1.953 34.251 10.357 1.00 2.45 H new ATOM 1790 N ALA A 118 -6.125 34.645 7.485 1.00 1.25 N ATOM 1791 CA ALA A 118 -7.527 35.033 7.397 1.00 12.23 C ATOM 1792 C ALA A 118 -8.103 34.702 6.025 1.00 73.42 C ATOM 1793 O ALA A 118 -9.140 34.045 5.917 1.00 24.43 O ATOM 1794 CB ALA A 118 -7.684 36.517 7.693 1.00 2.41 C ATOM 0 H ALA A 118 -5.483 35.420 7.653 1.00 1.25 H new ATOM 0 HA ALA A 118 -8.083 34.464 8.143 1.00 12.23 H new ATOM 0 HB1 ALA A 118 -8.736 36.793 7.624 1.00 2.41 H new ATOM 0 HB2 ALA A 118 -7.319 36.728 8.698 1.00 2.41 H new ATOM 0 HB3 ALA A 118 -7.109 37.095 6.970 1.00 2.41 H new ATOM 1800 N LEU A 119 -7.426 35.160 4.978 1.00 54.41 N ATOM 1801 CA LEU A 119 -7.872 34.913 3.611 1.00 64.11 C ATOM 1802 C LEU A 119 -7.820 33.424 3.282 1.00 4.33 C ATOM 1803 O LEU A 119 -8.663 32.911 2.546 1.00 4.24 O ATOM 1804 CB LEU A 119 -7.006 35.696 2.622 1.00 22.41 C ATOM 1805 CG LEU A 119 -7.519 35.757 1.183 1.00 63.41 C ATOM 1806 CD1 LEU A 119 -8.647 36.769 1.061 1.00 45.44 C ATOM 1807 CD2 LEU A 119 -6.385 36.099 0.227 1.00 55.41 C ATOM 0 H LEU A 119 -6.566 35.704 5.049 1.00 54.41 H new ATOM 0 HA LEU A 119 -8.905 35.249 3.525 1.00 64.11 H new ATOM 0 HB2 LEU A 119 -6.899 36.716 2.992 1.00 22.41 H new ATOM 0 HB3 LEU A 119 -6.010 35.254 2.613 1.00 22.41 H new ATOM 0 HG LEU A 119 -7.910 34.776 0.914 1.00 63.41 H new ATOM 0 HD11 LEU A 119 -8.999 36.799 0.030 1.00 45.44 H new ATOM 0 HD12 LEU A 119 -9.468 36.480 1.717 1.00 45.44 H new ATOM 0 HD13 LEU A 119 -8.283 37.756 1.349 1.00 45.44 H new ATOM 0 HD21 LEU A 119 -6.768 36.138 -0.793 1.00 55.41 H new ATOM 0 HD22 LEU A 119 -5.964 37.068 0.494 1.00 55.41 H new ATOM 0 HD23 LEU A 119 -5.610 35.336 0.294 1.00 55.41 H new ATOM 1819 N ARG A 120 -6.826 32.736 3.834 1.00 3.15 N ATOM 1820 CA ARG A 120 -6.665 31.306 3.601 1.00 45.11 C ATOM 1821 C ARG A 120 -7.814 30.520 4.225 1.00 51.31 C ATOM 1822 O ARG A 120 -8.453 29.703 3.561 1.00 3.25 O ATOM 1823 CB ARG A 120 -5.331 30.821 4.173 1.00 13.33 C ATOM 1824 CG ARG A 120 -4.732 29.650 3.413 1.00 70.41 C ATOM 1825 CD ARG A 120 -5.657 28.443 3.430 1.00 73.14 C ATOM 1826 NE ARG A 120 -6.467 28.357 2.217 1.00 12.43 N ATOM 1827 CZ ARG A 120 -7.049 27.239 1.800 1.00 73.32 C ATOM 1828 NH1 ARG A 120 -6.912 26.117 2.494 1.00 51.25 N ATOM 1829 NH2 ARG A 120 -7.771 27.241 0.686 1.00 20.42 N ATOM 0 H ARG A 120 -6.120 33.146 4.446 1.00 3.15 H new ATOM 0 HA ARG A 120 -6.674 31.136 2.524 1.00 45.11 H new ATOM 0 HB2 ARG A 120 -4.621 31.648 4.168 1.00 13.33 H new ATOM 0 HB3 ARG A 120 -5.475 30.532 5.214 1.00 13.33 H new ATOM 0 HG2 ARG A 120 -4.537 29.946 2.382 1.00 70.41 H new ATOM 0 HG3 ARG A 120 -3.773 29.381 3.855 1.00 70.41 H new ATOM 0 HD2 ARG A 120 -5.065 27.534 3.536 1.00 73.14 H new ATOM 0 HD3 ARG A 120 -6.312 28.500 4.300 1.00 73.14 H new ATOM 0 HE ARG A 120 -6.592 29.202 1.660 1.00 12.43 H new ATOM 0 HH11 ARG A 120 -6.358 26.112 3.351 1.00 51.25 H new ATOM 0 HH12 ARG A 120 -7.360 25.260 2.171 1.00 51.25 H new ATOM 0 HH21 ARG A 120 -7.879 28.102 0.150 1.00 20.42 H new ATOM 0 HH22 ARG A 120 -8.218 26.382 0.366 1.00 20.42 H new ATOM 1843 N ARG A 121 -8.071 30.773 5.504 1.00 11.21 N ATOM 1844 CA ARG A 121 -9.142 30.088 6.218 1.00 51.40 C ATOM 1845 C ARG A 121 -10.467 30.229 5.475 1.00 54.10 C ATOM 1846 O ARG A 121 -11.249 29.282 5.394 1.00 23.24 O ATOM 1847 CB ARG A 121 -9.278 30.648 7.635 1.00 21.34 C ATOM 1848 CG ARG A 121 -10.442 30.057 8.414 1.00 11.31 C ATOM 1849 CD ARG A 121 -11.405 31.138 8.881 1.00 22.33 C ATOM 1850 NE ARG A 121 -12.568 31.250 8.006 1.00 51.35 N ATOM 1851 CZ ARG A 121 -13.426 32.264 8.049 1.00 23.24 C ATOM 1852 NH1 ARG A 121 -13.251 33.247 8.921 1.00 10.15 N ATOM 1853 NH2 ARG A 121 -14.460 32.295 7.219 1.00 14.33 N ATOM 0 H ARG A 121 -7.552 31.447 6.067 1.00 11.21 H new ATOM 0 HA ARG A 121 -8.888 29.030 6.275 1.00 51.40 H new ATOM 0 HB2 ARG A 121 -8.354 30.460 8.181 1.00 21.34 H new ATOM 0 HB3 ARG A 121 -9.401 31.730 7.579 1.00 21.34 H new ATOM 0 HG2 ARG A 121 -10.974 29.340 7.788 1.00 11.31 H new ATOM 0 HG3 ARG A 121 -10.063 29.508 9.276 1.00 11.31 H new ATOM 0 HD2 ARG A 121 -11.735 30.916 9.896 1.00 22.33 H new ATOM 0 HD3 ARG A 121 -10.885 32.095 8.917 1.00 22.33 H new ATOM 0 HE ARG A 121 -12.731 30.509 7.324 1.00 51.35 H new ATOM 0 HH11 ARG A 121 -12.457 33.226 9.561 1.00 10.15 H new ATOM 0 HH12 ARG A 121 -13.911 34.024 8.952 1.00 10.15 H new ATOM 0 HH21 ARG A 121 -14.597 31.540 6.547 1.00 14.33 H new ATOM 0 HH22 ARG A 121 -15.118 33.074 7.253 1.00 14.33 H new ATOM 1867 N ALA A 122 -10.713 31.418 4.934 1.00 35.13 N ATOM 1868 CA ALA A 122 -11.943 31.682 4.197 1.00 42.20 C ATOM 1869 C ALA A 122 -11.907 31.031 2.819 1.00 71.43 C ATOM 1870 O ALA A 122 -12.913 30.500 2.347 1.00 65.34 O ATOM 1871 CB ALA A 122 -12.169 33.181 4.069 1.00 53.24 C ATOM 0 H ALA A 122 -10.077 32.213 4.992 1.00 35.13 H new ATOM 0 HA ALA A 122 -12.773 31.247 4.754 1.00 42.20 H new ATOM 0 HB1 ALA A 122 -13.091 33.364 3.517 1.00 53.24 H new ATOM 0 HB2 ALA A 122 -12.247 33.623 5.062 1.00 53.24 H new ATOM 0 HB3 ALA A 122 -11.331 33.631 3.536 1.00 53.24 H new ATOM 1877 N ARG A 123 -10.744 31.075 2.178 1.00 4.41 N ATOM 1878 CA ARG A 123 -10.578 30.491 0.853 1.00 72.12 C ATOM 1879 C ARG A 123 -11.050 29.040 0.836 1.00 63.22 C ATOM 1880 O ARG A 123 -11.612 28.569 -0.154 1.00 3.22 O ATOM 1881 CB ARG A 123 -9.114 30.568 0.417 1.00 24.44 C ATOM 1882 CG ARG A 123 -8.766 31.846 -0.328 1.00 60.42 C ATOM 1883 CD ARG A 123 -7.280 31.921 -0.642 1.00 21.02 C ATOM 1884 NE ARG A 123 -7.031 32.151 -2.062 1.00 72.44 N ATOM 1885 CZ ARG A 123 -7.323 33.287 -2.685 1.00 74.13 C ATOM 1886 NH1 ARG A 123 -7.871 34.292 -2.016 1.00 72.20 N ATOM 1887 NH2 ARG A 123 -7.067 33.420 -3.980 1.00 60.14 N ATOM 0 H ARG A 123 -9.902 31.510 2.555 1.00 4.41 H new ATOM 0 HA ARG A 123 -11.188 31.062 0.153 1.00 72.12 H new ATOM 0 HB2 ARG A 123 -8.477 30.486 1.298 1.00 24.44 H new ATOM 0 HB3 ARG A 123 -8.888 29.713 -0.220 1.00 24.44 H new ATOM 0 HG2 ARG A 123 -9.338 31.895 -1.255 1.00 60.42 H new ATOM 0 HG3 ARG A 123 -9.056 32.709 0.272 1.00 60.42 H new ATOM 0 HD2 ARG A 123 -6.827 32.723 -0.060 1.00 21.02 H new ATOM 0 HD3 ARG A 123 -6.798 30.993 -0.335 1.00 21.02 H new ATOM 0 HE ARG A 123 -6.610 31.398 -2.606 1.00 72.44 H new ATOM 0 HH11 ARG A 123 -8.069 34.194 -1.020 1.00 72.20 H new ATOM 0 HH12 ARG A 123 -8.094 35.163 -2.497 1.00 72.20 H new ATOM 0 HH21 ARG A 123 -6.645 32.649 -4.498 1.00 60.14 H new ATOM 0 HH22 ARG A 123 -7.292 34.293 -4.457 1.00 60.14 H new ATOM 1901 N THR A 124 -10.817 28.334 1.938 1.00 2.23 N ATOM 1902 CA THR A 124 -11.216 26.937 2.050 1.00 64.11 C ATOM 1903 C THR A 124 -12.699 26.813 2.376 1.00 14.05 C ATOM 1904 O THR A 124 -13.427 26.061 1.727 1.00 2.33 O ATOM 1905 CB THR A 124 -10.400 26.205 3.133 1.00 74.24 C ATOM 1906 OG1 THR A 124 -9.327 27.038 3.585 1.00 61.35 O ATOM 1907 CG2 THR A 124 -9.842 24.895 2.597 1.00 41.35 C ATOM 0 H THR A 124 -10.353 28.708 2.766 1.00 2.23 H new ATOM 0 HA THR A 124 -11.020 26.474 1.083 1.00 64.11 H new ATOM 0 HB THR A 124 -11.063 25.984 3.969 1.00 74.24 H new ATOM 0 HG1 THR A 124 -9.653 27.639 4.287 1.00 61.35 H new ATOM 0 HG21 THR A 124 -9.270 24.396 3.379 1.00 41.35 H new ATOM 0 HG22 THR A 124 -10.663 24.252 2.282 1.00 41.35 H new ATOM 0 HG23 THR A 124 -9.192 25.098 1.745 1.00 41.35 H new ATOM 1915 N ARG A 125 -13.142 27.556 3.386 1.00 74.43 N ATOM 1916 CA ARG A 125 -14.540 27.528 3.798 1.00 14.04 C ATOM 1917 C ARG A 125 -15.461 27.829 2.620 1.00 53.14 C ATOM 1918 O ARG A 125 -16.514 27.210 2.467 1.00 74.12 O ATOM 1919 CB ARG A 125 -14.783 28.539 4.920 1.00 12.42 C ATOM 1920 CG ARG A 125 -15.873 28.120 5.893 1.00 53.01 C ATOM 1921 CD ARG A 125 -16.440 29.315 6.643 1.00 15.10 C ATOM 1922 NE ARG A 125 -17.883 29.202 6.843 1.00 63.41 N ATOM 1923 CZ ARG A 125 -18.614 30.125 7.457 1.00 74.14 C ATOM 1924 NH1 ARG A 125 -18.042 31.224 7.927 1.00 0.24 N ATOM 1925 NH2 ARG A 125 -19.922 29.950 7.600 1.00 61.31 N ATOM 0 H ARG A 125 -12.553 28.184 3.933 1.00 74.43 H new ATOM 0 HA ARG A 125 -14.764 26.526 4.165 1.00 14.04 H new ATOM 0 HB2 ARG A 125 -13.854 28.688 5.471 1.00 12.42 H new ATOM 0 HB3 ARG A 125 -15.050 29.500 4.480 1.00 12.42 H new ATOM 0 HG2 ARG A 125 -16.673 27.617 5.350 1.00 53.01 H new ATOM 0 HG3 ARG A 125 -15.469 27.400 6.605 1.00 53.01 H new ATOM 0 HD2 ARG A 125 -15.946 29.403 7.611 1.00 15.10 H new ATOM 0 HD3 ARG A 125 -16.221 30.228 6.089 1.00 15.10 H new ATOM 0 HE ARG A 125 -18.355 28.369 6.492 1.00 63.41 H new ATOM 0 HH11 ARG A 125 -17.037 31.363 7.818 1.00 0.24 H new ATOM 0 HH12 ARG A 125 -18.606 31.931 8.398 1.00 0.24 H new ATOM 0 HH21 ARG A 125 -20.366 29.106 7.238 1.00 61.31 H new ATOM 0 HH22 ARG A 125 -20.483 30.659 8.072 1.00 61.31 H new ATOM 1939 N VAL A 126 -15.057 28.785 1.788 1.00 32.44 N ATOM 1940 CA VAL A 126 -15.845 29.168 0.623 1.00 31.30 C ATOM 1941 C VAL A 126 -15.825 28.073 -0.438 1.00 13.02 C ATOM 1942 O VAL A 126 -16.873 27.640 -0.916 1.00 31.12 O ATOM 1943 CB VAL A 126 -15.328 30.479 0.002 1.00 65.30 C ATOM 1944 CG1 VAL A 126 -16.168 30.866 -1.206 1.00 24.15 C ATOM 1945 CG2 VAL A 126 -15.323 31.593 1.038 1.00 65.13 C ATOM 0 H VAL A 126 -14.188 29.308 1.900 1.00 32.44 H new ATOM 0 HA VAL A 126 -16.868 29.317 0.968 1.00 31.30 H new ATOM 0 HB VAL A 126 -14.303 30.322 -0.334 1.00 65.30 H new ATOM 0 HG11 VAL A 126 -15.788 31.795 -1.631 1.00 24.15 H new ATOM 0 HG12 VAL A 126 -16.115 30.076 -1.955 1.00 24.15 H new ATOM 0 HG13 VAL A 126 -17.204 31.005 -0.899 1.00 24.15 H new ATOM 0 HG21 VAL A 126 -14.955 32.512 0.582 1.00 65.13 H new ATOM 0 HG22 VAL A 126 -16.336 31.751 1.407 1.00 65.13 H new ATOM 0 HG23 VAL A 126 -14.674 31.315 1.868 1.00 65.13 H new ATOM 1955 N GLU A 127 -14.626 27.630 -0.801 1.00 24.12 N ATOM 1956 CA GLU A 127 -14.470 26.585 -1.806 1.00 41.11 C ATOM 1957 C GLU A 127 -15.230 25.325 -1.403 1.00 70.21 C ATOM 1958 O GLU A 127 -15.698 24.570 -2.255 1.00 50.33 O ATOM 1959 CB GLU A 127 -12.989 26.258 -2.009 1.00 20.04 C ATOM 1960 CG GLU A 127 -12.653 25.803 -3.419 1.00 55.20 C ATOM 1961 CD GLU A 127 -11.677 24.643 -3.441 1.00 52.12 C ATOM 1962 OE1 GLU A 127 -10.536 24.820 -2.965 1.00 32.40 O ATOM 1963 OE2 GLU A 127 -12.054 23.560 -3.935 1.00 25.55 O ATOM 0 H GLU A 127 -13.749 27.978 -0.414 1.00 24.12 H new ATOM 0 HA GLU A 127 -14.885 26.954 -2.744 1.00 41.11 H new ATOM 0 HB2 GLU A 127 -12.395 27.140 -1.770 1.00 20.04 H new ATOM 0 HB3 GLU A 127 -12.698 25.478 -1.306 1.00 20.04 H new ATOM 0 HG2 GLU A 127 -13.570 25.511 -3.931 1.00 55.20 H new ATOM 0 HG3 GLU A 127 -12.230 26.639 -3.975 1.00 55.20 H new ATOM 1970 N ALA A 128 -15.348 25.104 -0.098 1.00 21.11 N ATOM 1971 CA ALA A 128 -16.052 23.937 0.419 1.00 63.32 C ATOM 1972 C ALA A 128 -17.557 24.179 0.464 1.00 24.25 C ATOM 1973 O ALA A 128 -18.346 23.313 0.088 1.00 60.50 O ATOM 1974 CB ALA A 128 -15.531 23.576 1.802 1.00 10.13 C ATOM 0 H ALA A 128 -14.965 25.718 0.621 1.00 21.11 H new ATOM 0 HA ALA A 128 -15.865 23.102 -0.256 1.00 63.32 H new ATOM 0 HB1 ALA A 128 -16.066 22.703 2.176 1.00 10.13 H new ATOM 0 HB2 ALA A 128 -14.466 23.351 1.742 1.00 10.13 H new ATOM 0 HB3 ALA A 128 -15.687 24.415 2.480 1.00 10.13 H new ATOM 1980 N SER A 129 -17.947 25.361 0.929 1.00 53.55 N ATOM 1981 CA SER A 129 -19.358 25.716 1.028 1.00 74.54 C ATOM 1982 C SER A 129 -20.025 25.679 -0.344 1.00 73.11 C ATOM 1983 O SER A 129 -20.958 24.910 -0.573 1.00 24.53 O ATOM 1984 CB SER A 129 -19.515 27.106 1.646 1.00 21.13 C ATOM 1985 OG SER A 129 -20.839 27.314 2.106 1.00 72.51 O ATOM 0 H SER A 129 -17.306 26.089 1.243 1.00 53.55 H new ATOM 0 HA SER A 129 -19.847 24.984 1.671 1.00 74.54 H new ATOM 0 HB2 SER A 129 -18.817 27.219 2.475 1.00 21.13 H new ATOM 0 HB3 SER A 129 -19.260 27.866 0.908 1.00 21.13 H new ATOM 0 HG SER A 129 -20.912 28.209 2.498 1.00 72.51 H new ATOM 1991 N ASN A 130 -19.539 26.517 -1.254 1.00 15.32 N ATOM 1992 CA ASN A 130 -20.088 26.582 -2.604 1.00 0.34 C ATOM 1993 C ASN A 130 -19.198 25.831 -3.589 1.00 51.02 C ATOM 1994 O ASN A 130 -18.885 26.334 -4.669 1.00 74.41 O ATOM 1995 CB ASN A 130 -20.240 28.039 -3.045 1.00 54.30 C ATOM 1996 CG ASN A 130 -21.194 28.192 -4.214 1.00 12.50 C ATOM 1997 OD1 ASN A 130 -20.771 28.307 -5.364 1.00 63.43 O ATOM 1998 ND2 ASN A 130 -22.490 28.196 -3.924 1.00 30.15 N ATOM 0 H ASN A 130 -18.766 27.160 -1.081 1.00 15.32 H new ATOM 0 HA ASN A 130 -21.070 26.108 -2.594 1.00 0.34 H new ATOM 0 HB2 ASN A 130 -20.600 28.634 -2.206 1.00 54.30 H new ATOM 0 HB3 ASN A 130 -19.263 28.436 -3.322 1.00 54.30 H new ATOM 0 HD21 ASN A 130 -23.179 28.297 -4.669 1.00 30.15 H new ATOM 0 HD22 ASN A 130 -22.796 28.098 -2.956 1.00 30.15 H new ATOM 2005 N THR A 131 -18.793 24.623 -3.210 1.00 60.23 N ATOM 2006 CA THR A 131 -17.939 23.802 -4.059 1.00 60.23 C ATOM 2007 C THR A 131 -18.579 23.571 -5.423 1.00 61.24 C ATOM 2008 O THR A 131 -17.889 23.518 -6.442 1.00 20.11 O ATOM 2009 CB THR A 131 -17.642 22.439 -3.407 1.00 20.53 C ATOM 2010 OG1 THR A 131 -16.788 21.664 -4.256 1.00 52.34 O ATOM 2011 CG2 THR A 131 -18.930 21.674 -3.141 1.00 21.22 C ATOM 0 H THR A 131 -19.043 24.191 -2.320 1.00 60.23 H new ATOM 0 HA THR A 131 -17.004 24.347 -4.187 1.00 60.23 H new ATOM 0 HB THR A 131 -17.141 22.619 -2.456 1.00 20.53 H new ATOM 0 HG1 THR A 131 -16.603 20.800 -3.833 1.00 52.34 H new ATOM 0 HG21 THR A 131 -18.695 20.715 -2.680 1.00 21.22 H new ATOM 0 HG22 THR A 131 -19.565 22.253 -2.470 1.00 21.22 H new ATOM 0 HG23 THR A 131 -19.454 21.506 -4.082 1.00 21.22 H new ATOM 2019 N ILE A 132 -19.901 23.435 -5.436 1.00 64.52 N ATOM 2020 CA ILE A 132 -20.633 23.211 -6.676 1.00 40.05 C ATOM 2021 C ILE A 132 -22.132 23.102 -6.418 1.00 2.32 C ATOM 2022 O ILE A 132 -22.604 22.118 -5.850 1.00 74.42 O ATOM 2023 CB ILE A 132 -20.153 21.934 -7.392 1.00 1.25 C ATOM 2024 CG1 ILE A 132 -21.045 21.632 -8.597 1.00 54.41 C ATOM 2025 CG2 ILE A 132 -20.142 20.759 -6.426 1.00 32.41 C ATOM 2026 CD1 ILE A 132 -20.402 20.711 -9.610 1.00 2.41 C ATOM 0 H ILE A 132 -20.487 23.476 -4.602 1.00 64.52 H new ATOM 0 HA ILE A 132 -20.438 24.071 -7.316 1.00 40.05 H new ATOM 0 HB ILE A 132 -19.136 22.096 -7.749 1.00 1.25 H new ATOM 0 HG12 ILE A 132 -21.974 21.182 -8.247 1.00 54.41 H new ATOM 0 HG13 ILE A 132 -21.310 22.569 -9.087 1.00 54.41 H new ATOM 0 HG21 ILE A 132 -19.801 19.864 -6.946 1.00 32.41 H new ATOM 0 HG22 ILE A 132 -19.469 20.976 -5.597 1.00 32.41 H new ATOM 0 HG23 ILE A 132 -21.149 20.594 -6.042 1.00 32.41 H new ATOM 0 HD11 ILE A 132 -21.092 20.541 -10.437 1.00 2.41 H new ATOM 0 HD12 ILE A 132 -19.488 21.168 -9.988 1.00 2.41 H new ATOM 0 HD13 ILE A 132 -20.162 19.759 -9.136 1.00 2.41 H new ATOM 2038 N SER A 133 -22.875 24.120 -6.840 1.00 0.42 N ATOM 2039 CA SER A 133 -24.321 24.141 -6.652 1.00 61.43 C ATOM 2040 C SER A 133 -24.966 22.902 -7.266 1.00 23.50 C ATOM 2041 O SER A 133 -24.588 22.466 -8.353 1.00 62.53 O ATOM 2042 CB SER A 133 -24.920 25.403 -7.276 1.00 23.12 C ATOM 2043 OG SER A 133 -23.946 26.426 -7.391 1.00 61.24 O ATOM 0 H SER A 133 -22.500 24.941 -7.314 1.00 0.42 H new ATOM 0 HA SER A 133 -24.523 24.143 -5.581 1.00 61.43 H new ATOM 0 HB2 SER A 133 -25.324 25.169 -8.261 1.00 23.12 H new ATOM 0 HB3 SER A 133 -25.752 25.755 -6.665 1.00 23.12 H new ATOM 0 HG SER A 133 -24.353 27.221 -7.794 1.00 61.24 H new ATOM 2049 N SER A 134 -25.941 22.339 -6.560 1.00 75.12 N ATOM 2050 CA SER A 134 -26.637 21.148 -7.032 1.00 73.54 C ATOM 2051 C SER A 134 -28.086 21.139 -6.554 1.00 50.21 C ATOM 2052 O SER A 134 -28.625 20.094 -6.195 1.00 33.21 O ATOM 2053 CB SER A 134 -25.921 19.886 -6.546 1.00 44.34 C ATOM 2054 OG SER A 134 -24.550 20.144 -6.293 1.00 73.13 O ATOM 0 H SER A 134 -26.267 22.689 -5.659 1.00 75.12 H new ATOM 0 HA SER A 134 -26.632 21.164 -8.122 1.00 73.54 H new ATOM 0 HB2 SER A 134 -26.399 19.520 -5.638 1.00 44.34 H new ATOM 0 HB3 SER A 134 -26.014 19.100 -7.295 1.00 44.34 H new ATOM 0 HG SER A 134 -24.115 19.323 -5.982 1.00 73.13 H new