USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 525 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 18 THR OG1 : rot 71:sc= -1.73 USER MOD Set 1.2: A 21 MET CE :methyl -105:sc= -1.75! (180deg=-3.43!) USER MOD Set 2.1: A 14 ASN : amide:sc= -0.995 K(o=-0.54,f=-4.5!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 139:sc= 0.456 (180deg=0) USER MOD Single : A 0 MET CE :methyl -156:sc= 0 (180deg=-0.0044) USER MOD Single : A 0 MET N :NH3+ 155:sc= -0.0613 (180deg=-0.466) USER MOD Single : A 1 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.5!) USER MOD Single : A 2 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.34) USER MOD Single : A 4 SER OG : rot 80:sc= -0.966 USER MOD Single : A 9 GLN : amide:sc= -3.97! C(o=-4!,f=-4.8!) USER MOD Single : A 15 THR OG1 : rot -60:sc= -2.41 USER MOD Single : A 22 MET CE :methyl -164:sc= -2.79 (180deg=-3.2) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.505 USER MOD Single : A 24 THR OG1 : rot 152:sc= 0.359 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -137:sc= -5.8! (180deg=-11.9!) USER MOD Single : A 44 GLN : amide:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 46 ASN : amide:sc= -5.04! C(o=-5!,f=-7.9!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.08 F(o=-2.4!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 172:sc= -3.31! (180deg=-3.54!) USER MOD Single : A 53 THR OG1 : rot 99:sc= 0.347 USER MOD Single : A 54 THR OG1 : rot 156:sc= -4.98! USER MOD Single : A 56 MET CE :methyl -164:sc= -5.07! (180deg=-6.33!) USER MOD Single : A 59 MET CE :methyl 176:sc= -5.09 (180deg=-5.3) USER MOD Single : A 63 TYR OH : rot -31:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -1.491 -1.063 0.641 1.00 61.24 N ATOM 2 CA MET A 0 -0.284 -0.515 0.045 1.00 13.31 C ATOM 3 C MET A 0 -0.001 -1.160 -1.313 1.00 50.31 C ATOM 4 O MET A 0 1.131 -1.549 -1.595 1.00 70.52 O ATOM 5 CB MET A 0 0.902 -0.754 0.982 1.00 73.25 C ATOM 6 CG MET A 0 1.275 -2.237 1.024 1.00 25.34 C ATOM 7 SD MET A 0 1.959 -2.649 2.621 1.00 10.32 S ATOM 8 CE MET A 0 0.454 -2.866 3.556 1.00 71.52 C ATOM 0 H1 MET A 0 -1.447 -0.957 1.675 1.00 61.24 H new ATOM 0 H2 MET A 0 -2.321 -0.553 0.276 1.00 61.24 H new ATOM 0 H3 MET A 0 -1.571 -2.071 0.399 1.00 61.24 H new ATOM 0 HA MET A 0 -0.429 0.555 -0.106 1.00 13.31 H new ATOM 0 HB2 MET A 0 1.759 -0.169 0.647 1.00 73.25 H new ATOM 0 HB3 MET A 0 0.653 -0.409 1.986 1.00 73.25 H new ATOM 0 HG2 MET A 0 0.394 -2.848 0.828 1.00 25.34 H new ATOM 0 HG3 MET A 0 1.999 -2.461 0.240 1.00 25.34 H new ATOM 0 HE1 MET A 0 0.657 -2.705 4.615 1.00 71.52 H new ATOM 0 HE2 MET A 0 -0.292 -2.148 3.216 1.00 71.52 H new ATOM 0 HE3 MET A 0 0.077 -3.878 3.409 1.00 71.52 H new ATOM 18 N ASN A 1 -1.049 -1.252 -2.118 1.00 70.34 N ATOM 19 CA ASN A 1 -0.927 -1.843 -3.440 1.00 72.42 C ATOM 20 C ASN A 1 -1.673 -0.973 -4.454 1.00 32.41 C ATOM 21 O ASN A 1 -2.773 -0.497 -4.178 1.00 11.02 O ATOM 22 CB ASN A 1 -1.542 -3.244 -3.476 1.00 52.10 C ATOM 23 CG ASN A 1 -0.819 -4.134 -4.489 1.00 32.45 C ATOM 24 OD1 ASN A 1 -0.258 -3.675 -5.470 1.00 12.55 O ATOM 25 ND2 ASN A 1 -0.864 -5.431 -4.197 1.00 63.21 N ATOM 0 H ASN A 1 -1.986 -0.927 -1.881 1.00 70.34 H new ATOM 0 HA ASN A 1 0.133 -1.908 -3.684 1.00 72.42 H new ATOM 0 HB2 ASN A 1 -1.486 -3.695 -2.485 1.00 52.10 H new ATOM 0 HB3 ASN A 1 -2.598 -3.175 -3.736 1.00 52.10 H new ATOM 0 HD21 ASN A 1 -0.411 -6.108 -4.811 1.00 63.21 H new ATOM 0 HD22 ASN A 1 -1.351 -5.748 -3.359 1.00 63.21 H new ATOM 32 N GLN A 2 -1.045 -0.793 -5.606 1.00 41.32 N ATOM 33 CA GLN A 2 -1.635 0.012 -6.662 1.00 74.45 C ATOM 34 C GLN A 2 -3.131 -0.289 -6.786 1.00 4.14 C ATOM 35 O GLN A 2 -3.516 -1.375 -7.216 1.00 44.11 O ATOM 36 CB GLN A 2 -0.918 -0.220 -7.994 1.00 12.21 C ATOM 37 CG GLN A 2 -1.740 0.328 -9.162 1.00 54.21 C ATOM 38 CD GLN A 2 -1.851 1.852 -9.087 1.00 54.41 C ATOM 39 OE1 GLN A 2 -0.888 2.580 -9.261 1.00 4.13 O ATOM 40 NE2 GLN A 2 -3.077 2.293 -8.819 1.00 54.05 N ATOM 0 H GLN A 2 -0.133 -1.191 -5.832 1.00 41.32 H new ATOM 0 HA GLN A 2 -1.515 1.063 -6.400 1.00 74.45 H new ATOM 0 HB2 GLN A 2 0.059 0.263 -7.974 1.00 12.21 H new ATOM 0 HB3 GLN A 2 -0.744 -1.287 -8.136 1.00 12.21 H new ATOM 0 HG2 GLN A 2 -1.276 0.040 -10.105 1.00 54.21 H new ATOM 0 HG3 GLN A 2 -2.736 -0.114 -9.149 1.00 54.21 H new ATOM 0 HE21 GLN A 2 -3.840 1.629 -8.684 1.00 54.05 H new ATOM 0 HE22 GLN A 2 -3.254 3.295 -8.748 1.00 54.05 H new ATOM 49 N GLU A 3 -3.933 0.693 -6.400 1.00 23.41 N ATOM 50 CA GLU A 3 -5.377 0.547 -6.462 1.00 31.23 C ATOM 51 C GLU A 3 -5.880 0.842 -7.876 1.00 14.40 C ATOM 52 O GLU A 3 -5.638 1.923 -8.412 1.00 23.41 O ATOM 53 CB GLU A 3 -6.064 1.450 -5.435 1.00 43.14 C ATOM 54 CG GLU A 3 -6.473 0.656 -4.193 1.00 52.22 C ATOM 55 CD GLU A 3 -7.193 1.552 -3.183 1.00 21.22 C ATOM 56 OE1 GLU A 3 -7.632 2.656 -3.536 1.00 1.41 O ATOM 57 OE2 GLU A 3 -7.290 1.063 -1.993 1.00 2.01 O ATOM 0 H GLU A 3 -3.610 1.592 -6.043 1.00 23.41 H new ATOM 0 HA GLU A 3 -5.629 -0.484 -6.216 1.00 31.23 H new ATOM 0 HB2 GLU A 3 -5.391 2.259 -5.149 1.00 43.14 H new ATOM 0 HB3 GLU A 3 -6.944 1.911 -5.882 1.00 43.14 H new ATOM 0 HG2 GLU A 3 -7.124 -0.169 -4.482 1.00 52.22 H new ATOM 0 HG3 GLU A 3 -5.589 0.217 -3.730 1.00 52.22 H new ATOM 65 N SER A 4 -6.572 -0.137 -8.440 1.00 51.42 N ATOM 66 CA SER A 4 -7.112 0.005 -9.782 1.00 3.11 C ATOM 67 C SER A 4 -8.637 0.113 -9.724 1.00 2.42 C ATOM 68 O SER A 4 -9.269 -0.445 -8.829 1.00 22.14 O ATOM 69 CB SER A 4 -6.697 -1.170 -10.669 1.00 45.04 C ATOM 70 OG SER A 4 -5.845 -2.083 -9.982 1.00 74.33 O ATOM 0 H SER A 4 -6.771 -1.032 -7.992 1.00 51.42 H new ATOM 0 HA SER A 4 -6.706 0.917 -10.219 1.00 3.11 H new ATOM 0 HB2 SER A 4 -7.587 -1.695 -11.015 1.00 45.04 H new ATOM 0 HB3 SER A 4 -6.185 -0.793 -11.554 1.00 45.04 H new ATOM 0 HG SER A 4 -6.385 -2.669 -9.411 1.00 74.33 H new ATOM 76 N VAL A 5 -9.184 0.836 -10.690 1.00 41.12 N ATOM 77 CA VAL A 5 -10.623 1.025 -10.760 1.00 61.04 C ATOM 78 C VAL A 5 -11.303 -0.334 -10.939 1.00 51.24 C ATOM 79 O VAL A 5 -10.838 -1.168 -11.715 1.00 4.34 O ATOM 80 CB VAL A 5 -10.967 2.017 -11.873 1.00 61.13 C ATOM 81 CG1 VAL A 5 -12.482 2.157 -12.034 1.00 1.44 C ATOM 82 CG2 VAL A 5 -10.314 3.377 -11.617 1.00 31.33 C ATOM 0 H VAL A 5 -8.657 1.298 -11.431 1.00 41.12 H new ATOM 0 HA VAL A 5 -10.997 1.456 -9.832 1.00 61.04 H new ATOM 0 HB VAL A 5 -10.566 1.624 -12.807 1.00 61.13 H new ATOM 0 HG11 VAL A 5 -12.699 2.868 -12.831 1.00 1.44 H new ATOM 0 HG12 VAL A 5 -12.912 1.188 -12.285 1.00 1.44 H new ATOM 0 HG13 VAL A 5 -12.916 2.516 -11.100 1.00 1.44 H new ATOM 0 HG21 VAL A 5 -10.575 4.063 -12.423 1.00 31.33 H new ATOM 0 HG22 VAL A 5 -10.670 3.779 -10.669 1.00 31.33 H new ATOM 0 HG23 VAL A 5 -9.231 3.259 -11.577 1.00 31.33 H new ATOM 92 N VAL A 6 -12.394 -0.514 -10.209 1.00 62.43 N ATOM 93 CA VAL A 6 -13.143 -1.758 -10.278 1.00 2.33 C ATOM 94 C VAL A 6 -14.637 -1.443 -10.370 1.00 33.42 C ATOM 95 O VAL A 6 -15.190 -0.778 -9.496 1.00 12.43 O ATOM 96 CB VAL A 6 -12.791 -2.647 -9.083 1.00 53.21 C ATOM 97 CG1 VAL A 6 -13.455 -4.020 -9.208 1.00 1.35 C ATOM 98 CG2 VAL A 6 -11.275 -2.782 -8.928 1.00 33.41 C ATOM 0 H VAL A 6 -12.777 0.180 -9.567 1.00 62.43 H new ATOM 0 HA VAL A 6 -12.873 -2.318 -11.173 1.00 2.33 H new ATOM 0 HB VAL A 6 -13.178 -2.169 -8.183 1.00 53.21 H new ATOM 0 HG11 VAL A 6 -13.189 -4.633 -8.347 1.00 1.35 H new ATOM 0 HG12 VAL A 6 -14.538 -3.898 -9.247 1.00 1.35 H new ATOM 0 HG13 VAL A 6 -13.112 -4.508 -10.120 1.00 1.35 H new ATOM 0 HG21 VAL A 6 -11.052 -3.419 -8.072 1.00 33.41 H new ATOM 0 HG22 VAL A 6 -10.855 -3.227 -9.830 1.00 33.41 H new ATOM 0 HG23 VAL A 6 -10.836 -1.797 -8.772 1.00 33.41 H new ATOM 108 N ALA A 7 -15.249 -1.937 -11.436 1.00 63.33 N ATOM 109 CA ALA A 7 -16.668 -1.717 -11.654 1.00 35.51 C ATOM 110 C ALA A 7 -17.428 -1.993 -10.355 1.00 2.25 C ATOM 111 O ALA A 7 -17.589 -3.146 -9.958 1.00 52.10 O ATOM 112 CB ALA A 7 -17.150 -2.598 -12.809 1.00 15.14 C ATOM 0 H ALA A 7 -14.787 -2.489 -12.159 1.00 63.33 H new ATOM 0 HA ALA A 7 -16.857 -0.680 -11.933 1.00 35.51 H new ATOM 0 HB1 ALA A 7 -18.215 -2.433 -12.973 1.00 15.14 H new ATOM 0 HB2 ALA A 7 -16.600 -2.343 -13.715 1.00 15.14 H new ATOM 0 HB3 ALA A 7 -16.979 -3.646 -12.563 1.00 15.14 H new ATOM 118 N ALA A 8 -17.874 -0.914 -9.727 1.00 60.35 N ATOM 119 CA ALA A 8 -18.612 -1.025 -8.481 1.00 35.10 C ATOM 120 C ALA A 8 -19.917 -1.784 -8.732 1.00 21.32 C ATOM 121 O ALA A 8 -20.465 -2.402 -7.820 1.00 62.22 O ATOM 122 CB ALA A 8 -18.852 0.371 -7.904 1.00 13.43 C ATOM 0 H ALA A 8 -17.738 0.041 -10.059 1.00 60.35 H new ATOM 0 HA ALA A 8 -18.039 -1.588 -7.745 1.00 35.10 H new ATOM 0 HB1 ALA A 8 -19.406 0.288 -6.969 1.00 13.43 H new ATOM 0 HB2 ALA A 8 -17.894 0.857 -7.717 1.00 13.43 H new ATOM 0 HB3 ALA A 8 -19.427 0.965 -8.615 1.00 13.43 H new ATOM 128 N GLN A 9 -20.377 -1.713 -9.972 1.00 65.14 N ATOM 129 CA GLN A 9 -21.606 -2.386 -10.355 1.00 13.03 C ATOM 130 C GLN A 9 -21.591 -2.711 -11.850 1.00 0.13 C ATOM 131 O GLN A 9 -20.660 -2.336 -12.560 1.00 63.15 O ATOM 132 CB GLN A 9 -22.829 -1.542 -9.990 1.00 33.34 C ATOM 133 CG GLN A 9 -22.502 -0.049 -10.048 1.00 13.23 C ATOM 134 CD GLN A 9 -23.712 0.794 -9.639 1.00 73.30 C ATOM 135 OE1 GLN A 9 -23.835 1.245 -8.512 1.00 71.30 O ATOM 136 NE2 GLN A 9 -24.596 0.980 -10.615 1.00 53.11 N ATOM 0 H GLN A 9 -19.920 -1.199 -10.725 1.00 65.14 H new ATOM 0 HA GLN A 9 -21.672 -3.322 -9.801 1.00 13.03 H new ATOM 0 HB2 GLN A 9 -23.647 -1.766 -10.675 1.00 33.34 H new ATOM 0 HB3 GLN A 9 -23.171 -1.804 -8.989 1.00 33.34 H new ATOM 0 HG2 GLN A 9 -21.663 0.169 -9.388 1.00 13.23 H new ATOM 0 HG3 GLN A 9 -22.192 0.220 -11.058 1.00 13.23 H new ATOM 0 HE21 GLN A 9 -24.432 0.574 -11.536 1.00 53.11 H new ATOM 0 HE22 GLN A 9 -25.438 1.529 -10.442 1.00 53.11 H new ATOM 145 N LEU A 10 -22.633 -3.405 -12.283 1.00 13.23 N ATOM 146 CA LEU A 10 -22.751 -3.784 -13.680 1.00 73.43 C ATOM 147 C LEU A 10 -22.780 -2.523 -14.546 1.00 61.32 C ATOM 148 O LEU A 10 -23.787 -1.819 -14.590 1.00 74.03 O ATOM 149 CB LEU A 10 -23.960 -4.700 -13.887 1.00 1.44 C ATOM 150 CG LEU A 10 -24.298 -5.048 -15.338 1.00 2.42 C ATOM 151 CD1 LEU A 10 -23.441 -6.214 -15.836 1.00 14.53 C ATOM 152 CD2 LEU A 10 -25.794 -5.324 -15.501 1.00 64.33 C ATOM 0 H LEU A 10 -23.403 -3.715 -11.691 1.00 13.23 H new ATOM 0 HA LEU A 10 -21.883 -4.365 -13.991 1.00 73.43 H new ATOM 0 HB2 LEU A 10 -23.785 -5.628 -13.343 1.00 1.44 H new ATOM 0 HB3 LEU A 10 -24.831 -4.226 -13.436 1.00 1.44 H new ATOM 0 HG LEU A 10 -24.060 -4.186 -15.961 1.00 2.42 H new ATOM 0 HD11 LEU A 10 -23.701 -6.441 -16.870 1.00 14.53 H new ATOM 0 HD12 LEU A 10 -22.387 -5.942 -15.778 1.00 14.53 H new ATOM 0 HD13 LEU A 10 -23.623 -7.091 -15.215 1.00 14.53 H new ATOM 0 HD21 LEU A 10 -26.008 -5.569 -16.541 1.00 64.33 H new ATOM 0 HD22 LEU A 10 -26.081 -6.161 -14.865 1.00 64.33 H new ATOM 0 HD23 LEU A 10 -26.361 -4.439 -15.213 1.00 64.33 H new ATOM 164 N ILE A 11 -21.662 -2.277 -15.213 1.00 52.23 N ATOM 165 CA ILE A 11 -21.546 -1.113 -16.075 1.00 54.15 C ATOM 166 C ILE A 11 -21.679 -1.550 -17.536 1.00 25.13 C ATOM 167 O ILE A 11 -20.772 -2.175 -18.085 1.00 14.31 O ATOM 168 CB ILE A 11 -20.254 -0.351 -15.776 1.00 41.22 C ATOM 169 CG1 ILE A 11 -20.237 0.154 -14.332 1.00 40.20 C ATOM 170 CG2 ILE A 11 -20.040 0.782 -16.782 1.00 62.02 C ATOM 171 CD1 ILE A 11 -18.815 0.149 -13.766 1.00 55.41 C ATOM 0 H ILE A 11 -20.829 -2.864 -15.174 1.00 52.23 H new ATOM 0 HA ILE A 11 -22.356 -0.410 -15.877 1.00 54.15 H new ATOM 0 HB ILE A 11 -19.417 -1.041 -15.886 1.00 41.22 H new ATOM 0 HG12 ILE A 11 -20.645 1.164 -14.291 1.00 40.20 H new ATOM 0 HG13 ILE A 11 -20.880 -0.474 -13.716 1.00 40.20 H new ATOM 0 HG21 ILE A 11 -19.115 1.308 -16.547 1.00 62.02 H new ATOM 0 HG22 ILE A 11 -19.976 0.368 -17.788 1.00 62.02 H new ATOM 0 HG23 ILE A 11 -20.877 1.479 -16.729 1.00 62.02 H new ATOM 0 HD11 ILE A 11 -18.831 0.512 -12.738 1.00 55.41 H new ATOM 0 HD12 ILE A 11 -18.419 -0.866 -13.786 1.00 55.41 H new ATOM 0 HD13 ILE A 11 -18.181 0.797 -14.370 1.00 55.41 H new ATOM 183 N PRO A 12 -22.845 -1.195 -18.139 1.00 22.34 N ATOM 184 CA PRO A 12 -23.107 -1.544 -19.524 1.00 73.24 C ATOM 185 C PRO A 12 -22.305 -0.654 -20.476 1.00 23.15 C ATOM 186 O PRO A 12 -21.735 0.352 -20.057 1.00 3.30 O ATOM 187 CB PRO A 12 -24.610 -1.389 -19.691 1.00 50.25 C ATOM 188 CG PRO A 12 -25.070 -0.517 -18.535 1.00 0.44 C ATOM 189 CD PRO A 12 -23.941 -0.455 -17.519 1.00 65.43 C ATOM 0 HA PRO A 12 -22.795 -2.559 -19.768 1.00 73.24 H new ATOM 0 HB2 PRO A 12 -24.851 -0.927 -20.648 1.00 50.25 H new ATOM 0 HB3 PRO A 12 -25.107 -2.359 -19.671 1.00 50.25 H new ATOM 0 HG2 PRO A 12 -25.321 0.483 -18.888 1.00 0.44 H new ATOM 0 HG3 PRO A 12 -25.970 -0.930 -18.080 1.00 0.44 H new ATOM 0 HD2 PRO A 12 -23.654 0.575 -17.308 1.00 65.43 H new ATOM 0 HD3 PRO A 12 -24.236 -0.904 -16.571 1.00 65.43 H new ATOM 197 N ILE A 13 -22.286 -1.057 -21.737 1.00 62.15 N ATOM 198 CA ILE A 13 -21.563 -0.309 -22.751 1.00 43.44 C ATOM 199 C ILE A 13 -22.296 1.005 -23.029 1.00 3.53 C ATOM 200 O ILE A 13 -23.525 1.041 -23.058 1.00 21.42 O ATOM 201 CB ILE A 13 -21.347 -1.167 -23.999 1.00 65.41 C ATOM 202 CG1 ILE A 13 -20.517 -0.418 -25.044 1.00 13.32 C ATOM 203 CG2 ILE A 13 -22.681 -1.654 -24.568 1.00 11.32 C ATOM 204 CD1 ILE A 13 -20.604 -1.104 -26.408 1.00 55.05 C ATOM 0 H ILE A 13 -22.760 -1.892 -22.080 1.00 62.15 H new ATOM 0 HA ILE A 13 -20.566 -0.050 -22.394 1.00 43.44 H new ATOM 0 HB ILE A 13 -20.778 -2.051 -23.710 1.00 65.41 H new ATOM 0 HG12 ILE A 13 -20.871 0.610 -25.127 1.00 13.32 H new ATOM 0 HG13 ILE A 13 -19.477 -0.372 -24.722 1.00 13.32 H new ATOM 0 HG21 ILE A 13 -22.498 -2.261 -25.454 1.00 11.32 H new ATOM 0 HG22 ILE A 13 -23.200 -2.252 -23.819 1.00 11.32 H new ATOM 0 HG23 ILE A 13 -23.297 -0.796 -24.837 1.00 11.32 H new ATOM 0 HD11 ILE A 13 -20.005 -0.551 -27.132 1.00 55.05 H new ATOM 0 HD12 ILE A 13 -20.226 -2.123 -26.327 1.00 55.05 H new ATOM 0 HD13 ILE A 13 -21.643 -1.127 -26.738 1.00 55.05 H new ATOM 216 N ASN A 14 -21.510 2.054 -23.226 1.00 11.15 N ATOM 217 CA ASN A 14 -22.069 3.367 -23.500 1.00 11.05 C ATOM 218 C ASN A 14 -22.753 3.899 -22.238 1.00 60.33 C ATOM 219 O ASN A 14 -23.690 4.691 -22.323 1.00 73.41 O ATOM 220 CB ASN A 14 -23.117 3.298 -24.612 1.00 42.32 C ATOM 221 CG ASN A 14 -22.607 2.473 -25.795 1.00 42.34 C ATOM 222 OD1 ASN A 14 -21.444 2.519 -26.162 1.00 70.21 O ATOM 223 ND2 ASN A 14 -23.539 1.719 -26.370 1.00 62.45 N ATOM 0 H ASN A 14 -20.491 2.021 -23.201 1.00 11.15 H new ATOM 0 HA ASN A 14 -21.255 4.022 -23.811 1.00 11.05 H new ATOM 0 HB2 ASN A 14 -24.035 2.856 -24.225 1.00 42.32 H new ATOM 0 HB3 ASN A 14 -23.365 4.305 -24.946 1.00 42.32 H new ATOM 0 HD21 ASN A 14 -23.299 1.132 -27.169 1.00 62.45 H new ATOM 0 HD22 ASN A 14 -24.494 1.728 -26.012 1.00 62.45 H new ATOM 230 N THR A 15 -22.257 3.442 -21.098 1.00 34.33 N ATOM 231 CA THR A 15 -22.809 3.861 -19.821 1.00 0.44 C ATOM 232 C THR A 15 -21.887 4.882 -19.151 1.00 25.21 C ATOM 233 O THR A 15 -20.779 4.544 -18.735 1.00 52.01 O ATOM 234 CB THR A 15 -23.047 2.609 -18.974 1.00 3.50 C ATOM 235 OG1 THR A 15 -23.809 1.756 -19.823 1.00 32.12 O ATOM 236 CG2 THR A 15 -23.971 2.874 -17.784 1.00 55.21 C ATOM 0 H THR A 15 -21.479 2.786 -21.032 1.00 34.33 H new ATOM 0 HA THR A 15 -23.765 4.369 -19.951 1.00 0.44 H new ATOM 0 HB THR A 15 -22.092 2.228 -18.613 1.00 3.50 H new ATOM 0 HG1 THR A 15 -24.648 2.200 -20.065 1.00 32.12 H new ATOM 0 HG21 THR A 15 -24.107 1.953 -17.217 1.00 55.21 H new ATOM 0 HG22 THR A 15 -23.527 3.634 -17.141 1.00 55.21 H new ATOM 0 HG23 THR A 15 -24.938 3.223 -18.145 1.00 55.21 H new ATOM 244 N ALA A 16 -22.377 6.110 -19.067 1.00 71.31 N ATOM 245 CA ALA A 16 -21.611 7.182 -18.455 1.00 24.31 C ATOM 246 C ALA A 16 -21.172 6.753 -17.053 1.00 52.11 C ATOM 247 O ALA A 16 -21.996 6.650 -16.146 1.00 32.53 O ATOM 248 CB ALA A 16 -22.447 8.462 -18.438 1.00 53.51 C ATOM 0 H ALA A 16 -23.296 6.386 -19.413 1.00 71.31 H new ATOM 0 HA ALA A 16 -20.711 7.389 -19.034 1.00 24.31 H new ATOM 0 HB1 ALA A 16 -21.872 9.266 -17.979 1.00 53.51 H new ATOM 0 HB2 ALA A 16 -22.708 8.740 -19.459 1.00 53.51 H new ATOM 0 HB3 ALA A 16 -23.358 8.294 -17.864 1.00 53.51 H new ATOM 254 N LEU A 17 -19.876 6.515 -16.920 1.00 44.51 N ATOM 255 CA LEU A 17 -19.318 6.100 -15.644 1.00 42.51 C ATOM 256 C LEU A 17 -19.711 7.113 -14.567 1.00 13.21 C ATOM 257 O LEU A 17 -19.881 8.297 -14.855 1.00 30.11 O ATOM 258 CB LEU A 17 -17.808 5.886 -15.764 1.00 22.40 C ATOM 259 CG LEU A 17 -17.363 4.743 -16.680 1.00 14.32 C ATOM 260 CD1 LEU A 17 -15.867 4.834 -16.983 1.00 25.15 C ATOM 261 CD2 LEU A 17 -17.747 3.385 -16.088 1.00 54.43 C ATOM 0 H LEU A 17 -19.196 6.602 -17.675 1.00 44.51 H new ATOM 0 HA LEU A 17 -19.731 5.137 -15.343 1.00 42.51 H new ATOM 0 HB2 LEU A 17 -17.358 6.811 -16.125 1.00 22.40 H new ATOM 0 HB3 LEU A 17 -17.407 5.704 -14.767 1.00 22.40 H new ATOM 0 HG LEU A 17 -17.890 4.841 -17.629 1.00 14.32 H new ATOM 0 HD11 LEU A 17 -15.577 4.010 -17.635 1.00 25.15 H new ATOM 0 HD12 LEU A 17 -15.653 5.781 -17.478 1.00 25.15 H new ATOM 0 HD13 LEU A 17 -15.303 4.775 -16.052 1.00 25.15 H new ATOM 0 HD21 LEU A 17 -17.420 2.590 -16.758 1.00 54.43 H new ATOM 0 HD22 LEU A 17 -17.266 3.262 -15.117 1.00 54.43 H new ATOM 0 HD23 LEU A 17 -18.829 3.334 -15.966 1.00 54.43 H new ATOM 273 N THR A 18 -19.845 6.611 -13.348 1.00 70.22 N ATOM 274 CA THR A 18 -20.215 7.457 -12.226 1.00 74.24 C ATOM 275 C THR A 18 -19.484 7.011 -10.958 1.00 55.24 C ATOM 276 O THR A 18 -18.982 5.891 -10.888 1.00 71.44 O ATOM 277 CB THR A 18 -21.739 7.424 -12.093 1.00 11.43 C ATOM 278 OG1 THR A 18 -22.061 6.037 -12.127 1.00 73.24 O ATOM 279 CG2 THR A 18 -22.447 8.002 -13.320 1.00 11.11 C ATOM 0 H THR A 18 -19.704 5.629 -13.113 1.00 70.22 H new ATOM 0 HA THR A 18 -19.911 8.490 -12.392 1.00 74.24 H new ATOM 0 HB THR A 18 -22.038 7.982 -11.206 1.00 11.43 H new ATOM 0 HG1 THR A 18 -21.765 5.612 -11.295 1.00 73.24 H new ATOM 0 HG21 THR A 18 -23.526 7.954 -13.173 1.00 11.11 H new ATOM 0 HG22 THR A 18 -22.145 9.040 -13.459 1.00 11.11 H new ATOM 0 HG23 THR A 18 -22.175 7.424 -14.203 1.00 11.11 H new ATOM 287 N LEU A 19 -19.448 7.912 -9.987 1.00 73.23 N ATOM 288 CA LEU A 19 -18.787 7.626 -8.725 1.00 72.44 C ATOM 289 C LEU A 19 -19.553 6.522 -7.993 1.00 25.15 C ATOM 290 O LEU A 19 -19.064 5.972 -7.007 1.00 2.23 O ATOM 291 CB LEU A 19 -18.620 8.907 -7.906 1.00 20.55 C ATOM 292 CG LEU A 19 -17.620 8.837 -6.750 1.00 5.41 C ATOM 293 CD1 LEU A 19 -16.296 8.220 -7.207 1.00 12.34 C ATOM 294 CD2 LEU A 19 -17.420 10.215 -6.114 1.00 34.30 C ATOM 0 H LEU A 19 -19.866 8.840 -10.049 1.00 73.23 H new ATOM 0 HA LEU A 19 -17.778 7.253 -8.898 1.00 72.44 H new ATOM 0 HB2 LEU A 19 -18.312 9.708 -8.579 1.00 20.55 H new ATOM 0 HB3 LEU A 19 -19.593 9.186 -7.502 1.00 20.55 H new ATOM 0 HG LEU A 19 -18.032 8.183 -5.981 1.00 5.41 H new ATOM 0 HD11 LEU A 19 -15.603 8.182 -6.366 1.00 12.34 H new ATOM 0 HD12 LEU A 19 -16.474 7.210 -7.577 1.00 12.34 H new ATOM 0 HD13 LEU A 19 -15.867 8.828 -8.004 1.00 12.34 H new ATOM 0 HD21 LEU A 19 -16.705 10.137 -5.295 1.00 34.30 H new ATOM 0 HD22 LEU A 19 -17.040 10.910 -6.863 1.00 34.30 H new ATOM 0 HD23 LEU A 19 -18.373 10.580 -5.730 1.00 34.30 H new ATOM 306 N VAL A 20 -20.740 6.231 -8.503 1.00 31.45 N ATOM 307 CA VAL A 20 -21.578 5.202 -7.909 1.00 2.42 C ATOM 308 C VAL A 20 -21.462 3.918 -8.732 1.00 24.11 C ATOM 309 O VAL A 20 -22.104 2.916 -8.420 1.00 2.31 O ATOM 310 CB VAL A 20 -23.017 5.706 -7.787 1.00 14.12 C ATOM 311 CG1 VAL A 20 -23.050 7.176 -7.365 1.00 2.41 C ATOM 312 CG2 VAL A 20 -23.785 5.493 -9.093 1.00 13.21 C ATOM 0 H VAL A 20 -21.142 6.689 -9.321 1.00 31.45 H new ATOM 0 HA VAL A 20 -21.242 4.971 -6.898 1.00 2.42 H new ATOM 0 HB VAL A 20 -23.511 5.124 -7.009 1.00 14.12 H new ATOM 0 HG11 VAL A 20 -24.085 7.509 -7.286 1.00 2.41 H new ATOM 0 HG12 VAL A 20 -22.558 7.288 -6.399 1.00 2.41 H new ATOM 0 HG13 VAL A 20 -22.531 7.780 -8.109 1.00 2.41 H new ATOM 0 HG21 VAL A 20 -24.805 5.860 -8.979 1.00 13.21 H new ATOM 0 HG22 VAL A 20 -23.291 6.037 -9.898 1.00 13.21 H new ATOM 0 HG23 VAL A 20 -23.806 4.430 -9.333 1.00 13.21 H new ATOM 322 N MET A 21 -20.638 3.989 -9.767 1.00 61.22 N ATOM 323 CA MET A 21 -20.429 2.844 -10.637 1.00 53.15 C ATOM 324 C MET A 21 -18.942 2.505 -10.750 1.00 63.30 C ATOM 325 O MET A 21 -18.549 1.685 -11.579 1.00 53.22 O ATOM 326 CB MET A 21 -20.990 3.151 -12.028 1.00 22.34 C ATOM 327 CG MET A 21 -22.519 3.095 -12.027 1.00 1.12 C ATOM 328 SD MET A 21 -23.115 2.667 -13.654 1.00 12.51 S ATOM 329 CE MET A 21 -22.364 3.972 -14.612 1.00 44.53 C ATOM 0 H MET A 21 -20.107 4.822 -10.023 1.00 61.22 H new ATOM 0 HA MET A 21 -20.946 1.986 -10.208 1.00 53.15 H new ATOM 0 HB2 MET A 21 -20.659 4.139 -12.348 1.00 22.34 H new ATOM 0 HB3 MET A 21 -20.597 2.434 -12.749 1.00 22.34 H new ATOM 0 HG2 MET A 21 -22.864 2.360 -11.299 1.00 1.12 H new ATOM 0 HG3 MET A 21 -22.926 4.059 -11.724 1.00 1.12 H new ATOM 0 HE1 MET A 21 -23.122 4.706 -14.884 1.00 44.53 H new ATOM 0 HE2 MET A 21 -21.586 4.455 -14.021 1.00 44.53 H new ATOM 0 HE3 MET A 21 -21.924 3.552 -15.517 1.00 44.53 H new ATOM 339 N MET A 22 -18.154 3.152 -9.904 1.00 11.01 N ATOM 340 CA MET A 22 -16.718 2.929 -9.898 1.00 12.10 C ATOM 341 C MET A 22 -16.169 2.930 -8.470 1.00 11.11 C ATOM 342 O MET A 22 -16.779 3.501 -7.567 1.00 2.01 O ATOM 343 CB MET A 22 -16.028 4.026 -10.711 1.00 62.34 C ATOM 344 CG MET A 22 -16.459 3.974 -12.179 1.00 22.44 C ATOM 345 SD MET A 22 -15.473 5.105 -13.145 1.00 12.42 S ATOM 346 CE MET A 22 -16.193 6.657 -12.634 1.00 3.01 C ATOM 0 H MET A 22 -18.483 3.831 -9.218 1.00 11.01 H new ATOM 0 HA MET A 22 -16.519 1.954 -10.343 1.00 12.10 H new ATOM 0 HB2 MET A 22 -16.271 5.002 -10.291 1.00 62.34 H new ATOM 0 HB3 MET A 22 -14.946 3.909 -10.641 1.00 62.34 H new ATOM 0 HG2 MET A 22 -16.346 2.960 -12.564 1.00 22.44 H new ATOM 0 HG3 MET A 22 -17.514 4.233 -12.266 1.00 22.44 H new ATOM 0 HE1 MET A 22 -15.903 7.441 -13.334 1.00 3.01 H new ATOM 0 HE2 MET A 22 -17.279 6.567 -12.620 1.00 3.01 H new ATOM 0 HE3 MET A 22 -15.837 6.912 -11.636 1.00 3.01 H new ATOM 356 N THR A 23 -15.023 2.284 -8.310 1.00 54.01 N ATOM 357 CA THR A 23 -14.385 2.203 -7.007 1.00 52.22 C ATOM 358 C THR A 23 -12.911 1.824 -7.158 1.00 62.12 C ATOM 359 O THR A 23 -12.323 2.014 -8.222 1.00 0.12 O ATOM 360 CB THR A 23 -15.182 1.217 -6.151 1.00 22.31 C ATOM 361 OG1 THR A 23 -14.595 1.327 -4.857 1.00 43.13 O ATOM 362 CG2 THR A 23 -14.933 -0.239 -6.550 1.00 63.22 C ATOM 0 H THR A 23 -14.520 1.812 -9.061 1.00 54.01 H new ATOM 0 HA THR A 23 -14.389 3.170 -6.503 1.00 52.22 H new ATOM 0 HB THR A 23 -16.246 1.440 -6.236 1.00 22.31 H new ATOM 0 HG1 THR A 23 -15.053 0.722 -4.237 1.00 43.13 H new ATOM 0 HG21 THR A 23 -15.522 -0.897 -5.912 1.00 63.22 H new ATOM 0 HG22 THR A 23 -15.224 -0.386 -7.590 1.00 63.22 H new ATOM 0 HG23 THR A 23 -13.875 -0.472 -6.433 1.00 63.22 H new ATOM 370 N THR A 24 -12.356 1.294 -6.078 1.00 45.22 N ATOM 371 CA THR A 24 -10.961 0.887 -6.077 1.00 62.52 C ATOM 372 C THR A 24 -10.798 -0.453 -5.357 1.00 25.31 C ATOM 373 O THR A 24 -11.560 -0.769 -4.445 1.00 74.11 O ATOM 374 CB THR A 24 -10.139 2.016 -5.453 1.00 65.14 C ATOM 375 OG1 THR A 24 -10.411 1.914 -4.058 1.00 40.24 O ATOM 376 CG2 THR A 24 -10.663 3.402 -5.835 1.00 63.33 C ATOM 0 H THR A 24 -12.847 1.137 -5.198 1.00 45.22 H new ATOM 0 HA THR A 24 -10.596 0.723 -7.091 1.00 62.52 H new ATOM 0 HB THR A 24 -9.099 1.923 -5.765 1.00 65.14 H new ATOM 0 HG1 THR A 24 -9.647 2.258 -3.550 1.00 40.24 H new ATOM 0 HG21 THR A 24 -10.044 4.167 -5.366 1.00 63.33 H new ATOM 0 HG22 THR A 24 -10.626 3.519 -6.918 1.00 63.33 H new ATOM 0 HG23 THR A 24 -11.693 3.509 -5.494 1.00 63.33 H new ATOM 384 N ARG A 25 -9.798 -1.205 -5.793 1.00 62.43 N ATOM 385 CA ARG A 25 -9.525 -2.504 -5.202 1.00 24.04 C ATOM 386 C ARG A 25 -8.320 -3.156 -5.884 1.00 53.33 C ATOM 387 O ARG A 25 -8.207 -3.129 -7.109 1.00 10.02 O ATOM 388 CB ARG A 25 -10.735 -3.431 -5.325 1.00 34.21 C ATOM 389 CG ARG A 25 -10.844 -4.355 -4.110 1.00 75.01 C ATOM 390 CD ARG A 25 -10.207 -5.716 -4.397 1.00 40.03 C ATOM 391 NE ARG A 25 -10.829 -6.756 -3.547 1.00 42.33 N ATOM 392 CZ ARG A 25 -10.213 -7.899 -3.177 1.00 51.40 C ATOM 393 NH1 ARG A 25 -8.951 -8.159 -3.580 1.00 52.40 N ATOM 394 NH2 ARG A 25 -10.864 -8.758 -2.415 1.00 64.22 N ATOM 0 H ARG A 25 -9.167 -0.939 -6.549 1.00 62.43 H new ATOM 0 HA ARG A 25 -9.308 -2.347 -4.145 1.00 24.04 H new ATOM 0 HB2 ARG A 25 -11.644 -2.837 -5.418 1.00 34.21 H new ATOM 0 HB3 ARG A 25 -10.650 -4.027 -6.233 1.00 34.21 H new ATOM 0 HG2 ARG A 25 -10.354 -3.894 -3.253 1.00 75.01 H new ATOM 0 HG3 ARG A 25 -11.892 -4.489 -3.844 1.00 75.01 H new ATOM 0 HD2 ARG A 25 -10.333 -5.971 -5.449 1.00 40.03 H new ATOM 0 HD3 ARG A 25 -9.135 -5.672 -4.206 1.00 40.03 H new ATOM 0 HE ARG A 25 -11.783 -6.599 -3.220 1.00 42.33 H new ATOM 0 HH11 ARG A 25 -8.455 -7.489 -4.169 1.00 52.40 H new ATOM 0 HH12 ARG A 25 -8.493 -9.025 -3.296 1.00 52.40 H new ATOM 0 HH21 ARG A 25 -11.817 -8.553 -2.115 1.00 64.22 H new ATOM 0 HH22 ARG A 25 -10.414 -9.627 -2.126 1.00 64.22 H new ATOM 407 N VAL A 26 -7.451 -3.726 -5.063 1.00 14.45 N ATOM 408 CA VAL A 26 -6.260 -4.383 -5.572 1.00 2.02 C ATOM 409 C VAL A 26 -6.667 -5.632 -6.357 1.00 14.45 C ATOM 410 O VAL A 26 -6.910 -6.686 -5.771 1.00 3.43 O ATOM 411 CB VAL A 26 -5.298 -4.687 -4.422 1.00 21.34 C ATOM 412 CG1 VAL A 26 -3.886 -4.958 -4.945 1.00 2.23 C ATOM 413 CG2 VAL A 26 -5.294 -3.553 -3.395 1.00 55.20 C ATOM 0 H VAL A 26 -7.548 -3.746 -4.048 1.00 14.45 H new ATOM 0 HA VAL A 26 -5.727 -3.727 -6.260 1.00 2.02 H new ATOM 0 HB VAL A 26 -5.649 -5.590 -3.922 1.00 21.34 H new ATOM 0 HG11 VAL A 26 -3.222 -5.171 -4.107 1.00 2.23 H new ATOM 0 HG12 VAL A 26 -3.906 -5.814 -5.619 1.00 2.23 H new ATOM 0 HG13 VAL A 26 -3.522 -4.082 -5.482 1.00 2.23 H new ATOM 0 HG21 VAL A 26 -4.602 -3.795 -2.588 1.00 55.20 H new ATOM 0 HG22 VAL A 26 -4.980 -2.627 -3.877 1.00 55.20 H new ATOM 0 HG23 VAL A 26 -6.297 -3.428 -2.987 1.00 55.20 H new ATOM 423 N VAL A 27 -6.730 -5.472 -7.670 1.00 54.52 N ATOM 424 CA VAL A 27 -7.105 -6.573 -8.541 1.00 45.22 C ATOM 425 C VAL A 27 -5.957 -6.863 -9.510 1.00 63.42 C ATOM 426 O VAL A 27 -5.057 -6.041 -9.677 1.00 31.31 O ATOM 427 CB VAL A 27 -8.421 -6.253 -9.252 1.00 70.55 C ATOM 428 CG1 VAL A 27 -9.495 -5.824 -8.251 1.00 41.51 C ATOM 429 CG2 VAL A 27 -8.217 -5.187 -10.330 1.00 53.31 C ATOM 0 H VAL A 27 -6.528 -4.596 -8.152 1.00 54.52 H new ATOM 0 HA VAL A 27 -7.278 -7.479 -7.960 1.00 45.22 H new ATOM 0 HB VAL A 27 -8.766 -7.163 -9.743 1.00 70.55 H new ATOM 0 HG11 VAL A 27 -10.420 -5.602 -8.783 1.00 41.51 H new ATOM 0 HG12 VAL A 27 -9.670 -6.630 -7.538 1.00 41.51 H new ATOM 0 HG13 VAL A 27 -9.161 -4.934 -7.718 1.00 41.51 H new ATOM 0 HG21 VAL A 27 -9.168 -4.978 -10.820 1.00 53.31 H new ATOM 0 HG22 VAL A 27 -7.837 -4.274 -9.872 1.00 53.31 H new ATOM 0 HG23 VAL A 27 -7.500 -5.548 -11.068 1.00 53.31 H new ATOM 439 N SER A 28 -6.025 -8.036 -10.124 1.00 13.41 N ATOM 440 CA SER A 28 -5.003 -8.445 -11.072 1.00 31.00 C ATOM 441 C SER A 28 -5.652 -9.117 -12.283 1.00 71.54 C ATOM 442 O SER A 28 -6.488 -10.007 -12.131 1.00 11.44 O ATOM 443 CB SER A 28 -3.993 -9.390 -10.418 1.00 44.25 C ATOM 444 OG SER A 28 -2.700 -9.280 -11.009 1.00 31.24 O ATOM 0 H SER A 28 -6.772 -8.716 -9.983 1.00 13.41 H new ATOM 0 HA SER A 28 -4.467 -7.556 -11.403 1.00 31.00 H new ATOM 0 HB2 SER A 28 -3.925 -9.168 -9.353 1.00 44.25 H new ATOM 0 HB3 SER A 28 -4.347 -10.417 -10.507 1.00 44.25 H new ATOM 0 HG SER A 28 -2.083 -9.897 -10.563 1.00 31.24 H new ATOM 450 N PRO A 29 -5.231 -8.655 -13.491 1.00 74.02 N ATOM 451 CA PRO A 29 -4.238 -7.599 -13.584 1.00 25.24 C ATOM 452 C PRO A 29 -4.848 -6.240 -13.237 1.00 2.32 C ATOM 453 O PRO A 29 -6.068 -6.086 -13.234 1.00 52.54 O ATOM 454 CB PRO A 29 -3.719 -7.671 -15.010 1.00 42.15 C ATOM 455 CG PRO A 29 -4.763 -8.449 -15.795 1.00 24.32 C ATOM 456 CD PRO A 29 -5.689 -9.123 -14.796 1.00 72.31 C ATOM 0 HA PRO A 29 -3.423 -7.725 -12.871 1.00 25.24 H new ATOM 0 HB2 PRO A 29 -3.581 -6.673 -15.426 1.00 42.15 H new ATOM 0 HB3 PRO A 29 -2.750 -8.169 -15.048 1.00 42.15 H new ATOM 0 HG2 PRO A 29 -5.326 -7.782 -16.447 1.00 24.32 H new ATOM 0 HG3 PRO A 29 -4.285 -9.192 -16.434 1.00 24.32 H new ATOM 0 HD2 PRO A 29 -6.729 -8.848 -14.972 1.00 72.31 H new ATOM 0 HD3 PRO A 29 -5.629 -10.209 -14.871 1.00 72.31 H new ATOM 464 N THR A 30 -3.971 -5.288 -12.952 1.00 63.44 N ATOM 465 CA THR A 30 -4.408 -3.947 -12.605 1.00 42.21 C ATOM 466 C THR A 30 -4.712 -3.141 -13.870 1.00 31.14 C ATOM 467 O THR A 30 -4.056 -3.317 -14.895 1.00 60.00 O ATOM 468 CB THR A 30 -3.330 -3.312 -11.724 1.00 51.44 C ATOM 469 OG1 THR A 30 -2.105 -3.776 -12.285 1.00 52.12 O ATOM 470 CG2 THR A 30 -3.327 -3.877 -10.303 1.00 31.32 C ATOM 0 H THR A 30 -2.960 -5.419 -12.954 1.00 63.44 H new ATOM 0 HA THR A 30 -5.340 -3.968 -12.039 1.00 42.21 H new ATOM 0 HB THR A 30 -3.483 -2.233 -11.685 1.00 51.44 H new ATOM 0 HG1 THR A 30 -1.352 -3.410 -11.775 1.00 52.12 H new ATOM 0 HG21 THR A 30 -2.543 -3.392 -9.720 1.00 31.32 H new ATOM 0 HG22 THR A 30 -4.294 -3.691 -9.836 1.00 31.32 H new ATOM 0 HG23 THR A 30 -3.141 -4.950 -10.339 1.00 31.32 H new ATOM 478 N GLY A 31 -5.708 -2.274 -13.755 1.00 65.30 N ATOM 479 CA GLY A 31 -6.107 -1.441 -14.876 1.00 42.23 C ATOM 480 C GLY A 31 -6.031 0.043 -14.511 1.00 12.12 C ATOM 481 O GLY A 31 -5.129 0.463 -13.788 1.00 64.21 O ATOM 0 H GLY A 31 -6.250 -2.131 -12.903 1.00 65.30 H new ATOM 0 HA2 GLY A 31 -5.462 -1.642 -15.731 1.00 42.23 H new ATOM 0 HA3 GLY A 31 -7.124 -1.693 -15.177 1.00 42.23 H new ATOM 485 N ILE A 32 -6.991 0.796 -15.027 1.00 10.51 N ATOM 486 CA ILE A 32 -7.044 2.225 -14.764 1.00 35.40 C ATOM 487 C ILE A 32 -6.775 2.476 -13.279 1.00 62.30 C ATOM 488 O ILE A 32 -7.262 1.740 -12.423 1.00 31.53 O ATOM 489 CB ILE A 32 -8.369 2.811 -15.256 1.00 73.31 C ATOM 490 CG1 ILE A 32 -8.447 2.784 -16.784 1.00 45.40 C ATOM 491 CG2 ILE A 32 -8.588 4.217 -14.695 1.00 55.33 C ATOM 492 CD1 ILE A 32 -9.894 2.911 -17.262 1.00 75.40 C ATOM 0 H ILE A 32 -7.738 0.444 -15.626 1.00 10.51 H new ATOM 0 HA ILE A 32 -6.265 2.744 -15.322 1.00 35.40 H new ATOM 0 HB ILE A 32 -9.179 2.185 -14.882 1.00 73.31 H new ATOM 0 HG12 ILE A 32 -7.851 3.598 -17.196 1.00 45.40 H new ATOM 0 HG13 ILE A 32 -8.017 1.854 -17.157 1.00 45.40 H new ATOM 0 HG21 ILE A 32 -9.537 4.611 -15.060 1.00 55.33 H new ATOM 0 HG22 ILE A 32 -8.607 4.175 -13.606 1.00 55.33 H new ATOM 0 HG23 ILE A 32 -7.776 4.868 -15.019 1.00 55.33 H new ATOM 0 HD11 ILE A 32 -9.921 2.889 -18.351 1.00 75.40 H new ATOM 0 HD12 ILE A 32 -10.481 2.082 -16.868 1.00 75.40 H new ATOM 0 HD13 ILE A 32 -10.313 3.853 -16.908 1.00 75.40 H new ATOM 504 N PRO A 33 -5.979 3.546 -13.012 1.00 64.44 N ATOM 505 CA PRO A 33 -5.638 3.903 -11.646 1.00 12.21 C ATOM 506 C PRO A 33 -6.824 4.566 -10.941 1.00 24.31 C ATOM 507 O PRO A 33 -7.601 5.284 -11.568 1.00 21.22 O ATOM 508 CB PRO A 33 -4.432 4.820 -11.768 1.00 22.41 C ATOM 509 CG PRO A 33 -4.427 5.313 -13.206 1.00 24.33 C ATOM 510 CD PRO A 33 -5.384 4.440 -14.001 1.00 44.02 C ATOM 0 HA PRO A 33 -5.401 3.035 -11.031 1.00 12.21 H new ATOM 0 HB2 PRO A 33 -4.503 5.654 -11.070 1.00 22.41 H new ATOM 0 HB3 PRO A 33 -3.511 4.287 -11.535 1.00 22.41 H new ATOM 0 HG2 PRO A 33 -4.735 6.358 -13.253 1.00 24.33 H new ATOM 0 HG3 PRO A 33 -3.422 5.258 -13.625 1.00 24.33 H new ATOM 0 HD2 PRO A 33 -6.145 5.040 -14.501 1.00 44.02 H new ATOM 0 HD3 PRO A 33 -4.859 3.881 -14.775 1.00 44.02 H new ATOM 518 N ALA A 34 -6.924 4.301 -9.647 1.00 35.04 N ATOM 519 CA ALA A 34 -8.002 4.863 -8.850 1.00 22.34 C ATOM 520 C ALA A 34 -7.922 6.390 -8.897 1.00 33.14 C ATOM 521 O ALA A 34 -8.908 7.075 -8.627 1.00 63.11 O ATOM 522 CB ALA A 34 -7.918 4.318 -7.422 1.00 55.13 C ATOM 0 H ALA A 34 -6.277 3.705 -9.130 1.00 35.04 H new ATOM 0 HA ALA A 34 -8.971 4.571 -9.254 1.00 22.34 H new ATOM 0 HB1 ALA A 34 -8.726 4.739 -6.824 1.00 55.13 H new ATOM 0 HB2 ALA A 34 -8.009 3.232 -7.441 1.00 55.13 H new ATOM 0 HB3 ALA A 34 -6.959 4.594 -6.983 1.00 55.13 H new ATOM 528 N GLU A 35 -6.740 6.879 -9.241 1.00 20.31 N ATOM 529 CA GLU A 35 -6.519 8.312 -9.327 1.00 0.34 C ATOM 530 C GLU A 35 -7.263 8.893 -10.531 1.00 22.10 C ATOM 531 O GLU A 35 -7.288 10.108 -10.723 1.00 32.34 O ATOM 532 CB GLU A 35 -5.025 8.633 -9.398 1.00 42.41 C ATOM 533 CG GLU A 35 -4.210 7.642 -8.564 1.00 54.22 C ATOM 534 CD GLU A 35 -3.050 8.345 -7.856 1.00 35.11 C ATOM 535 OE1 GLU A 35 -3.232 8.883 -6.754 1.00 1.14 O ATOM 536 OE2 GLU A 35 -1.928 8.318 -8.490 1.00 43.35 O ATOM 0 H GLU A 35 -5.925 6.308 -9.464 1.00 20.31 H new ATOM 0 HA GLU A 35 -6.914 8.776 -8.423 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -4.692 8.601 -10.435 1.00 42.41 H new ATOM 0 HB3 GLU A 35 -4.850 9.647 -9.038 1.00 42.41 H new ATOM 0 HG2 GLU A 35 -4.855 7.165 -7.826 1.00 54.22 H new ATOM 0 HG3 GLU A 35 -3.823 6.852 -9.207 1.00 54.22 H new ATOM 544 N ASP A 36 -7.850 7.998 -11.311 1.00 60.44 N ATOM 545 CA ASP A 36 -8.592 8.406 -12.492 1.00 33.12 C ATOM 546 C ASP A 36 -10.092 8.273 -12.217 1.00 44.04 C ATOM 547 O ASP A 36 -10.910 8.453 -13.118 1.00 44.22 O ATOM 548 CB ASP A 36 -8.251 7.519 -13.691 1.00 41.51 C ATOM 549 CG ASP A 36 -6.798 7.602 -14.163 1.00 40.14 C ATOM 550 OD1 ASP A 36 -5.937 8.181 -13.484 1.00 34.23 O ATOM 551 OD2 ASP A 36 -6.560 7.033 -15.296 1.00 62.14 O ATOM 0 H ASP A 36 -7.827 6.991 -11.149 1.00 60.44 H new ATOM 0 HA ASP A 36 -8.324 9.438 -12.719 1.00 33.12 H new ATOM 0 HB2 ASP A 36 -8.475 6.484 -13.434 1.00 41.51 H new ATOM 0 HB3 ASP A 36 -8.903 7.790 -14.521 1.00 41.51 H new ATOM 557 N ILE A 37 -10.407 7.959 -10.969 1.00 63.14 N ATOM 558 CA ILE A 37 -11.793 7.800 -10.565 1.00 33.20 C ATOM 559 C ILE A 37 -12.589 9.036 -10.989 1.00 4.24 C ATOM 560 O ILE A 37 -13.638 8.918 -11.619 1.00 31.30 O ATOM 561 CB ILE A 37 -11.883 7.494 -9.069 1.00 31.44 C ATOM 562 CG1 ILE A 37 -11.974 5.986 -8.822 1.00 14.31 C ATOM 563 CG2 ILE A 37 -13.045 8.252 -8.423 1.00 22.53 C ATOM 564 CD1 ILE A 37 -12.584 5.691 -7.450 1.00 4.32 C ATOM 0 H ILE A 37 -9.726 7.810 -10.224 1.00 63.14 H new ATOM 0 HA ILE A 37 -12.241 6.944 -11.070 1.00 33.20 H new ATOM 0 HB ILE A 37 -10.967 7.843 -8.593 1.00 31.44 H new ATOM 0 HG12 ILE A 37 -12.580 5.522 -9.601 1.00 14.31 H new ATOM 0 HG13 ILE A 37 -10.980 5.543 -8.885 1.00 14.31 H new ATOM 0 HG21 ILE A 37 -13.087 8.017 -7.360 1.00 22.53 H new ATOM 0 HG22 ILE A 37 -12.896 9.324 -8.552 1.00 22.53 H new ATOM 0 HG23 ILE A 37 -13.981 7.956 -8.897 1.00 22.53 H new ATOM 0 HD11 ILE A 37 -12.637 4.613 -7.300 1.00 4.32 H new ATOM 0 HD12 ILE A 37 -11.963 6.135 -6.672 1.00 4.32 H new ATOM 0 HD13 ILE A 37 -13.587 6.114 -7.399 1.00 4.32 H new ATOM 576 N PRO A 38 -12.044 10.225 -10.616 1.00 13.45 N ATOM 577 CA PRO A 38 -12.692 11.483 -10.950 1.00 65.50 C ATOM 578 C PRO A 38 -12.501 11.820 -12.430 1.00 55.41 C ATOM 579 O PRO A 38 -13.008 12.833 -12.909 1.00 54.53 O ATOM 580 CB PRO A 38 -12.063 12.508 -10.021 1.00 44.11 C ATOM 581 CG PRO A 38 -10.767 11.885 -9.529 1.00 5.14 C ATOM 582 CD PRO A 38 -10.803 10.404 -9.868 1.00 42.03 C ATOM 0 HA PRO A 38 -13.773 11.451 -10.811 1.00 65.50 H new ATOM 0 HB2 PRO A 38 -11.872 13.445 -10.545 1.00 44.11 H new ATOM 0 HB3 PRO A 38 -12.726 12.739 -9.188 1.00 44.11 H new ATOM 0 HG2 PRO A 38 -9.910 12.364 -10.002 1.00 5.14 H new ATOM 0 HG3 PRO A 38 -10.659 12.028 -8.454 1.00 5.14 H new ATOM 0 HD2 PRO A 38 -9.937 10.113 -10.462 1.00 42.03 H new ATOM 0 HD3 PRO A 38 -10.792 9.791 -8.967 1.00 42.03 H new ATOM 590 N ARG A 39 -11.770 10.952 -13.113 1.00 41.21 N ATOM 591 CA ARG A 39 -11.507 11.146 -14.529 1.00 23.30 C ATOM 592 C ARG A 39 -12.487 10.323 -15.368 1.00 44.23 C ATOM 593 O ARG A 39 -12.938 10.773 -16.420 1.00 41.23 O ATOM 594 CB ARG A 39 -10.075 10.739 -14.884 1.00 33.52 C ATOM 595 CG ARG A 39 -9.058 11.637 -14.177 1.00 34.24 C ATOM 596 CD ARG A 39 -7.732 11.668 -14.938 1.00 25.22 C ATOM 597 NE ARG A 39 -7.440 10.331 -15.501 1.00 25.44 N ATOM 598 CZ ARG A 39 -6.610 10.113 -16.543 1.00 25.22 C ATOM 599 NH1 ARG A 39 -5.981 11.145 -17.146 1.00 32.54 N ATOM 600 NH2 ARG A 39 -6.422 8.876 -16.964 1.00 24.13 N ATOM 0 H ARG A 39 -11.351 10.113 -12.712 1.00 41.21 H new ATOM 0 HA ARG A 39 -11.636 12.206 -14.749 1.00 23.30 H new ATOM 0 HB2 ARG A 39 -9.907 9.700 -14.600 1.00 33.52 H new ATOM 0 HB3 ARG A 39 -9.932 10.801 -15.963 1.00 33.52 H new ATOM 0 HG2 ARG A 39 -9.457 12.648 -14.093 1.00 34.24 H new ATOM 0 HG3 ARG A 39 -8.891 11.275 -13.163 1.00 34.24 H new ATOM 0 HD2 ARG A 39 -7.780 12.406 -15.739 1.00 25.22 H new ATOM 0 HD3 ARG A 39 -6.927 11.974 -14.270 1.00 25.22 H new ATOM 0 HE ARG A 39 -7.894 9.523 -15.075 1.00 25.44 H new ATOM 0 HH11 ARG A 39 -6.132 12.098 -16.815 1.00 32.54 H new ATOM 0 HH12 ARG A 39 -5.355 10.971 -17.933 1.00 32.54 H new ATOM 0 HH21 ARG A 39 -6.901 8.102 -16.503 1.00 24.13 H new ATOM 0 HH22 ARG A 39 -5.798 8.694 -17.750 1.00 24.13 H new ATOM 613 N LEU A 40 -12.787 9.132 -14.871 1.00 43.34 N ATOM 614 CA LEU A 40 -13.705 8.243 -15.562 1.00 62.15 C ATOM 615 C LEU A 40 -15.129 8.788 -15.435 1.00 62.14 C ATOM 616 O LEU A 40 -15.978 8.520 -16.284 1.00 42.12 O ATOM 617 CB LEU A 40 -13.547 6.809 -15.053 1.00 34.14 C ATOM 618 CG LEU A 40 -12.323 6.047 -15.562 1.00 65.41 C ATOM 619 CD1 LEU A 40 -12.329 5.956 -17.089 1.00 53.03 C ATOM 620 CD2 LEU A 40 -11.030 6.668 -15.030 1.00 44.24 C ATOM 0 H LEU A 40 -12.411 8.762 -13.998 1.00 43.34 H new ATOM 0 HA LEU A 40 -13.472 8.206 -16.626 1.00 62.15 H new ATOM 0 HB2 LEU A 40 -13.508 6.834 -13.964 1.00 34.14 H new ATOM 0 HB3 LEU A 40 -14.440 6.247 -15.327 1.00 34.14 H new ATOM 0 HG LEU A 40 -12.372 5.028 -15.179 1.00 65.41 H new ATOM 0 HD11 LEU A 40 -11.448 5.409 -17.424 1.00 53.03 H new ATOM 0 HD12 LEU A 40 -13.227 5.434 -17.419 1.00 53.03 H new ATOM 0 HD13 LEU A 40 -12.316 6.960 -17.513 1.00 53.03 H new ATOM 0 HD21 LEU A 40 -10.175 6.107 -15.407 1.00 44.24 H new ATOM 0 HD22 LEU A 40 -10.960 7.704 -15.363 1.00 44.24 H new ATOM 0 HD23 LEU A 40 -11.033 6.637 -13.940 1.00 44.24 H new ATOM 632 N ILE A 41 -15.346 9.543 -14.369 1.00 33.34 N ATOM 633 CA ILE A 41 -16.653 10.128 -14.119 1.00 62.25 C ATOM 634 C ILE A 41 -17.073 10.962 -15.332 1.00 21.44 C ATOM 635 O ILE A 41 -16.299 11.782 -15.823 1.00 74.24 O ATOM 636 CB ILE A 41 -16.647 10.912 -12.806 1.00 31.13 C ATOM 637 CG1 ILE A 41 -16.286 10.005 -11.627 1.00 43.15 C ATOM 638 CG2 ILE A 41 -17.981 11.629 -12.589 1.00 74.42 C ATOM 639 CD1 ILE A 41 -17.536 9.598 -10.845 1.00 50.03 C ATOM 0 H ILE A 41 -14.639 9.764 -13.668 1.00 33.34 H new ATOM 0 HA ILE A 41 -17.403 9.347 -13.993 1.00 62.25 H new ATOM 0 HB ILE A 41 -15.876 11.679 -12.870 1.00 31.13 H new ATOM 0 HG12 ILE A 41 -15.775 9.114 -11.992 1.00 43.15 H new ATOM 0 HG13 ILE A 41 -15.591 10.522 -10.965 1.00 43.15 H new ATOM 0 HG21 ILE A 41 -17.950 12.179 -11.648 1.00 74.42 H new ATOM 0 HG22 ILE A 41 -18.158 12.324 -13.410 1.00 74.42 H new ATOM 0 HG23 ILE A 41 -18.787 10.896 -12.554 1.00 74.42 H new ATOM 0 HD11 ILE A 41 -17.251 8.954 -10.013 1.00 50.03 H new ATOM 0 HD12 ILE A 41 -18.031 10.490 -10.461 1.00 50.03 H new ATOM 0 HD13 ILE A 41 -18.218 9.060 -11.503 1.00 50.03 H new ATOM 651 N SER A 42 -18.297 10.723 -15.778 1.00 52.02 N ATOM 652 CA SER A 42 -18.829 11.442 -16.923 1.00 74.24 C ATOM 653 C SER A 42 -18.422 10.737 -18.219 1.00 34.11 C ATOM 654 O SER A 42 -18.970 11.021 -19.283 1.00 43.41 O ATOM 655 CB SER A 42 -18.347 12.894 -16.935 1.00 71.30 C ATOM 656 OG SER A 42 -19.275 13.759 -17.584 1.00 43.12 O ATOM 0 H SER A 42 -18.936 10.042 -15.367 1.00 52.02 H new ATOM 0 HA SER A 42 -19.916 11.449 -16.847 1.00 74.24 H new ATOM 0 HB2 SER A 42 -18.191 13.233 -15.911 1.00 71.30 H new ATOM 0 HB3 SER A 42 -17.383 12.952 -17.440 1.00 71.30 H new ATOM 0 HG SER A 42 -18.932 14.677 -17.570 1.00 43.12 H new ATOM 662 N MET A 43 -17.465 9.831 -18.086 1.00 71.42 N ATOM 663 CA MET A 43 -16.978 9.083 -19.233 1.00 33.30 C ATOM 664 C MET A 43 -17.602 7.686 -19.282 1.00 5.24 C ATOM 665 O MET A 43 -17.568 6.953 -18.294 1.00 53.15 O ATOM 666 CB MET A 43 -15.455 8.960 -19.153 1.00 74.14 C ATOM 667 CG MET A 43 -14.832 10.234 -18.579 1.00 22.41 C ATOM 668 SD MET A 43 -13.249 10.538 -19.346 1.00 30.02 S ATOM 669 CE MET A 43 -12.675 8.860 -19.549 1.00 11.02 C ATOM 0 H MET A 43 -17.014 9.598 -17.202 1.00 71.42 H new ATOM 0 HA MET A 43 -17.261 9.618 -20.139 1.00 33.30 H new ATOM 0 HB2 MET A 43 -15.188 8.107 -18.529 1.00 74.14 H new ATOM 0 HB3 MET A 43 -15.049 8.768 -20.146 1.00 74.14 H new ATOM 0 HG2 MET A 43 -15.496 11.082 -18.748 1.00 22.41 H new ATOM 0 HG3 MET A 43 -14.710 10.135 -17.500 1.00 22.41 H new ATOM 0 HE1 MET A 43 -11.623 8.799 -19.271 1.00 11.02 H new ATOM 0 HE2 MET A 43 -13.258 8.196 -18.911 1.00 11.02 H new ATOM 0 HE3 MET A 43 -12.793 8.558 -20.590 1.00 11.02 H new ATOM 679 N GLN A 44 -18.155 7.360 -20.440 1.00 53.22 N ATOM 680 CA GLN A 44 -18.785 6.065 -20.630 1.00 71.44 C ATOM 681 C GLN A 44 -17.727 4.997 -20.918 1.00 53.44 C ATOM 682 O GLN A 44 -16.536 5.298 -20.970 1.00 64.42 O ATOM 683 CB GLN A 44 -19.827 6.120 -21.750 1.00 3.43 C ATOM 684 CG GLN A 44 -20.770 7.310 -21.562 1.00 13.01 C ATOM 685 CD GLN A 44 -21.093 7.971 -22.904 1.00 20.05 C ATOM 686 OE1 GLN A 44 -20.974 9.173 -23.077 1.00 61.34 O ATOM 687 NE2 GLN A 44 -21.507 7.121 -23.839 1.00 41.55 N ATOM 0 H GLN A 44 -18.180 7.970 -21.257 1.00 53.22 H new ATOM 0 HA GLN A 44 -19.303 5.797 -19.709 1.00 71.44 H new ATOM 0 HB2 GLN A 44 -19.326 6.197 -22.715 1.00 3.43 H new ATOM 0 HB3 GLN A 44 -20.402 5.194 -21.763 1.00 3.43 H new ATOM 0 HG2 GLN A 44 -21.692 6.976 -21.086 1.00 13.01 H new ATOM 0 HG3 GLN A 44 -20.312 8.040 -20.894 1.00 13.01 H new ATOM 0 HE21 GLN A 44 -21.584 6.126 -23.626 1.00 41.55 H new ATOM 0 HE22 GLN A 44 -21.748 7.464 -24.769 1.00 41.55 H new ATOM 696 N VAL A 45 -18.201 3.773 -21.098 1.00 54.34 N ATOM 697 CA VAL A 45 -17.311 2.660 -21.380 1.00 32.12 C ATOM 698 C VAL A 45 -17.536 2.183 -22.816 1.00 40.43 C ATOM 699 O VAL A 45 -18.661 2.207 -23.313 1.00 30.41 O ATOM 700 CB VAL A 45 -17.515 1.552 -20.344 1.00 4.41 C ATOM 701 CG1 VAL A 45 -16.839 1.910 -19.019 1.00 2.42 C ATOM 702 CG2 VAL A 45 -19.002 1.260 -20.139 1.00 74.22 C ATOM 0 H VAL A 45 -19.190 3.528 -21.054 1.00 54.34 H new ATOM 0 HA VAL A 45 -16.270 2.974 -21.301 1.00 32.12 H new ATOM 0 HB VAL A 45 -17.045 0.646 -20.726 1.00 4.41 H new ATOM 0 HG11 VAL A 45 -16.999 1.106 -18.300 1.00 2.42 H new ATOM 0 HG12 VAL A 45 -15.770 2.045 -19.181 1.00 2.42 H new ATOM 0 HG13 VAL A 45 -17.266 2.835 -18.631 1.00 2.42 H new ATOM 0 HG21 VAL A 45 -19.119 0.469 -19.398 1.00 74.22 H new ATOM 0 HG22 VAL A 45 -19.505 2.162 -19.790 1.00 74.22 H new ATOM 0 HG23 VAL A 45 -19.444 0.941 -21.083 1.00 74.22 H new ATOM 712 N ASN A 46 -16.447 1.763 -23.443 1.00 74.44 N ATOM 713 CA ASN A 46 -16.512 1.281 -24.813 1.00 5.31 C ATOM 714 C ASN A 46 -16.693 -0.238 -24.807 1.00 52.21 C ATOM 715 O ASN A 46 -16.199 -0.929 -25.696 1.00 62.13 O ATOM 716 CB ASN A 46 -15.221 1.600 -25.570 1.00 3.23 C ATOM 717 CG ASN A 46 -14.033 0.844 -24.971 1.00 71.43 C ATOM 718 OD1 ASN A 46 -14.095 -0.344 -24.696 1.00 41.55 O ATOM 719 ND2 ASN A 46 -12.951 1.595 -24.785 1.00 74.45 N ATOM 0 H ASN A 46 -15.515 1.746 -23.028 1.00 74.44 H new ATOM 0 HA ASN A 46 -17.350 1.774 -25.305 1.00 5.31 H new ATOM 0 HB2 ASN A 46 -15.335 1.332 -26.620 1.00 3.23 H new ATOM 0 HB3 ASN A 46 -15.030 2.672 -25.534 1.00 3.23 H new ATOM 0 HD21 ASN A 46 -12.106 1.183 -24.390 1.00 74.45 H new ATOM 0 HD22 ASN A 46 -12.967 2.583 -25.037 1.00 74.45 H new ATOM 726 N GLN A 47 -17.404 -0.713 -23.795 1.00 1.11 N ATOM 727 CA GLN A 47 -17.657 -2.137 -23.662 1.00 31.54 C ATOM 728 C GLN A 47 -18.411 -2.423 -22.361 1.00 65.30 C ATOM 729 O GLN A 47 -18.249 -1.705 -21.376 1.00 35.15 O ATOM 730 CB GLN A 47 -16.353 -2.935 -23.726 1.00 42.52 C ATOM 731 CG GLN A 47 -16.582 -4.394 -23.330 1.00 72.52 C ATOM 732 CD GLN A 47 -15.253 -5.137 -23.178 1.00 2.41 C ATOM 733 OE1 GLN A 47 -14.398 -4.549 -22.345 1.00 10.43 O flip ATOM 734 NE2 GLN A 47 -15.019 -6.174 -23.777 1.00 63.45 N flip ATOM 0 H GLN A 47 -17.813 -0.137 -23.059 1.00 1.11 H new ATOM 0 HA GLN A 47 -18.280 -2.455 -24.498 1.00 31.54 H new ATOM 0 HB2 GLN A 47 -15.944 -2.889 -24.735 1.00 42.52 H new ATOM 0 HB3 GLN A 47 -15.615 -2.486 -23.061 1.00 42.52 H new ATOM 0 HG2 GLN A 47 -17.136 -4.437 -22.392 1.00 72.52 H new ATOM 0 HG3 GLN A 47 -17.194 -4.887 -24.085 1.00 72.52 H new ATOM 0 HE21 GLN A 47 -15.720 -6.571 -24.402 1.00 63.45 H new ATOM 0 HE22 GLN A 47 -14.122 -6.643 -23.653 1.00 63.45 H new ATOM 743 N VAL A 48 -19.217 -3.474 -22.400 1.00 40.23 N ATOM 744 CA VAL A 48 -19.996 -3.863 -21.237 1.00 63.41 C ATOM 745 C VAL A 48 -19.052 -4.363 -20.141 1.00 72.53 C ATOM 746 O VAL A 48 -18.516 -5.466 -20.235 1.00 24.30 O ATOM 747 CB VAL A 48 -21.050 -4.898 -21.636 1.00 13.32 C ATOM 748 CG1 VAL A 48 -21.436 -5.775 -20.443 1.00 53.22 C ATOM 749 CG2 VAL A 48 -22.282 -4.220 -22.240 1.00 0.04 C ATOM 0 H VAL A 48 -19.347 -4.068 -23.219 1.00 40.23 H new ATOM 0 HA VAL A 48 -20.537 -3.006 -20.835 1.00 63.41 H new ATOM 0 HB VAL A 48 -20.615 -5.543 -22.399 1.00 13.32 H new ATOM 0 HG11 VAL A 48 -22.186 -6.502 -20.754 1.00 53.22 H new ATOM 0 HG12 VAL A 48 -20.553 -6.299 -20.076 1.00 53.22 H new ATOM 0 HG13 VAL A 48 -21.844 -5.150 -19.649 1.00 53.22 H new ATOM 0 HG21 VAL A 48 -23.016 -4.977 -22.515 1.00 0.04 H new ATOM 0 HG22 VAL A 48 -22.719 -3.540 -21.508 1.00 0.04 H new ATOM 0 HG23 VAL A 48 -21.990 -3.659 -23.127 1.00 0.04 H new ATOM 759 N VAL A 49 -18.879 -3.528 -19.128 1.00 22.24 N ATOM 760 CA VAL A 49 -18.009 -3.872 -18.015 1.00 54.42 C ATOM 761 C VAL A 49 -18.864 -4.242 -16.801 1.00 41.02 C ATOM 762 O VAL A 49 -19.443 -3.370 -16.156 1.00 2.33 O ATOM 763 CB VAL A 49 -17.039 -2.722 -17.735 1.00 31.20 C ATOM 764 CG1 VAL A 49 -15.893 -3.180 -16.831 1.00 32.23 C ATOM 765 CG2 VAL A 49 -16.504 -2.126 -19.039 1.00 33.23 C ATOM 0 H VAL A 49 -19.326 -2.614 -19.054 1.00 22.24 H new ATOM 0 HA VAL A 49 -17.399 -4.742 -18.261 1.00 54.42 H new ATOM 0 HB VAL A 49 -17.588 -1.940 -17.210 1.00 31.20 H new ATOM 0 HG11 VAL A 49 -15.218 -2.344 -16.647 1.00 32.23 H new ATOM 0 HG12 VAL A 49 -16.297 -3.535 -15.883 1.00 32.23 H new ATOM 0 HG13 VAL A 49 -15.346 -3.988 -17.318 1.00 32.23 H new ATOM 0 HG21 VAL A 49 -15.817 -1.311 -18.812 1.00 33.23 H new ATOM 0 HG22 VAL A 49 -15.978 -2.897 -19.603 1.00 33.23 H new ATOM 0 HG23 VAL A 49 -17.335 -1.745 -19.633 1.00 33.23 H new ATOM 775 N PRO A 50 -18.917 -5.572 -16.520 1.00 11.50 N ATOM 776 CA PRO A 50 -19.691 -6.068 -15.395 1.00 72.10 C ATOM 777 C PRO A 50 -18.980 -5.781 -14.071 1.00 32.21 C ATOM 778 O PRO A 50 -17.763 -5.605 -14.041 1.00 52.11 O ATOM 779 CB PRO A 50 -19.868 -7.553 -15.664 1.00 73.55 C ATOM 780 CG PRO A 50 -18.800 -7.923 -16.681 1.00 55.12 C ATOM 781 CD PRO A 50 -18.244 -6.633 -17.263 1.00 34.44 C ATOM 0 HA PRO A 50 -20.659 -5.576 -15.301 1.00 72.10 H new ATOM 0 HB2 PRO A 50 -19.752 -8.132 -14.748 1.00 73.55 H new ATOM 0 HB3 PRO A 50 -20.865 -7.764 -16.051 1.00 73.55 H new ATOM 0 HG2 PRO A 50 -18.007 -8.502 -16.208 1.00 55.12 H new ATOM 0 HG3 PRO A 50 -19.223 -8.546 -17.469 1.00 55.12 H new ATOM 0 HD2 PRO A 50 -17.162 -6.577 -17.141 1.00 34.44 H new ATOM 0 HD3 PRO A 50 -18.449 -6.560 -18.331 1.00 34.44 H new ATOM 789 N MET A 51 -19.770 -5.743 -13.008 1.00 32.40 N ATOM 790 CA MET A 51 -19.232 -5.481 -11.684 1.00 64.02 C ATOM 791 C MET A 51 -18.134 -6.486 -11.330 1.00 32.54 C ATOM 792 O MET A 51 -18.220 -7.659 -11.692 1.00 55.43 O ATOM 793 CB MET A 51 -20.356 -5.566 -10.650 1.00 4.24 C ATOM 794 CG MET A 51 -19.839 -5.227 -9.250 1.00 21.12 C ATOM 795 SD MET A 51 -20.915 -5.935 -8.014 1.00 50.11 S ATOM 796 CE MET A 51 -22.454 -5.144 -8.453 1.00 43.30 C ATOM 0 H MET A 51 -20.779 -5.889 -13.037 1.00 32.40 H new ATOM 0 HA MET A 51 -18.798 -4.481 -11.680 1.00 64.02 H new ATOM 0 HB2 MET A 51 -21.158 -4.879 -10.922 1.00 4.24 H new ATOM 0 HB3 MET A 51 -20.781 -6.570 -10.651 1.00 4.24 H new ATOM 0 HG2 MET A 51 -18.826 -5.610 -9.125 1.00 21.12 H new ATOM 0 HG3 MET A 51 -19.789 -4.145 -9.124 1.00 21.12 H new ATOM 0 HE1 MET A 51 -23.266 -5.580 -7.871 1.00 43.30 H new ATOM 0 HE2 MET A 51 -22.388 -4.077 -8.241 1.00 43.30 H new ATOM 0 HE3 MET A 51 -22.649 -5.291 -9.515 1.00 43.30 H new ATOM 806 N GLY A 52 -17.127 -5.991 -10.625 1.00 34.11 N ATOM 807 CA GLY A 52 -16.014 -6.832 -10.217 1.00 54.53 C ATOM 808 C GLY A 52 -14.945 -6.894 -11.310 1.00 53.21 C ATOM 809 O GLY A 52 -13.833 -7.361 -11.070 1.00 32.04 O ATOM 0 H GLY A 52 -17.059 -5.018 -10.326 1.00 34.11 H new ATOM 0 HA2 GLY A 52 -15.577 -6.442 -9.298 1.00 54.53 H new ATOM 0 HA3 GLY A 52 -16.374 -7.837 -9.998 1.00 54.53 H new ATOM 813 N THR A 53 -15.320 -6.416 -12.488 1.00 20.23 N ATOM 814 CA THR A 53 -14.407 -6.412 -13.618 1.00 52.33 C ATOM 815 C THR A 53 -13.534 -5.156 -13.594 1.00 12.51 C ATOM 816 O THR A 53 -14.039 -4.042 -13.726 1.00 12.44 O ATOM 817 CB THR A 53 -15.237 -6.550 -14.896 1.00 61.43 C ATOM 818 OG1 THR A 53 -16.014 -7.725 -14.680 1.00 20.00 O ATOM 819 CG2 THR A 53 -14.379 -6.890 -16.117 1.00 74.41 C ATOM 0 H THR A 53 -16.243 -6.029 -12.684 1.00 20.23 H new ATOM 0 HA THR A 53 -13.714 -7.252 -13.570 1.00 52.33 H new ATOM 0 HB THR A 53 -15.778 -5.622 -15.079 1.00 61.43 H new ATOM 0 HG1 THR A 53 -16.911 -7.473 -14.377 1.00 20.00 H new ATOM 0 HG21 THR A 53 -15.016 -6.977 -16.997 1.00 74.41 H new ATOM 0 HG22 THR A 53 -13.645 -6.100 -16.277 1.00 74.41 H new ATOM 0 HG23 THR A 53 -13.864 -7.835 -15.948 1.00 74.41 H new ATOM 827 N THR A 54 -12.239 -5.377 -13.424 1.00 70.14 N ATOM 828 CA THR A 54 -11.291 -4.277 -13.381 1.00 40.20 C ATOM 829 C THR A 54 -11.507 -3.339 -14.570 1.00 74.24 C ATOM 830 O THR A 54 -11.827 -3.789 -15.670 1.00 4.21 O ATOM 831 CB THR A 54 -9.882 -4.869 -13.323 1.00 24.22 C ATOM 832 OG1 THR A 54 -9.928 -5.767 -12.218 1.00 21.44 O ATOM 833 CG2 THR A 54 -8.828 -3.836 -12.919 1.00 51.40 C ATOM 0 H THR A 54 -11.824 -6.302 -13.314 1.00 70.14 H new ATOM 0 HA THR A 54 -11.438 -3.663 -12.492 1.00 40.20 H new ATOM 0 HB THR A 54 -9.625 -5.288 -14.296 1.00 24.22 H new ATOM 0 HG1 THR A 54 -9.238 -6.455 -12.326 1.00 21.44 H new ATOM 0 HG21 THR A 54 -7.846 -4.309 -12.893 1.00 51.40 H new ATOM 0 HG22 THR A 54 -8.820 -3.022 -13.644 1.00 51.40 H new ATOM 0 HG23 THR A 54 -9.066 -3.440 -11.932 1.00 51.40 H new ATOM 841 N LEU A 55 -11.325 -2.053 -14.310 1.00 30.01 N ATOM 842 CA LEU A 55 -11.496 -1.048 -15.345 1.00 73.02 C ATOM 843 C LEU A 55 -10.158 -0.814 -16.049 1.00 10.42 C ATOM 844 O LEU A 55 -9.129 -0.650 -15.395 1.00 32.02 O ATOM 845 CB LEU A 55 -12.115 0.223 -14.761 1.00 2.53 C ATOM 846 CG LEU A 55 -13.597 0.451 -15.067 1.00 24.51 C ATOM 847 CD1 LEU A 55 -14.036 1.853 -14.641 1.00 62.22 C ATOM 848 CD2 LEU A 55 -13.900 0.178 -16.542 1.00 22.15 C ATOM 0 H LEU A 55 -11.061 -1.684 -13.397 1.00 30.01 H new ATOM 0 HA LEU A 55 -12.198 -1.397 -16.102 1.00 73.02 H new ATOM 0 HB2 LEU A 55 -11.987 0.201 -13.679 1.00 2.53 H new ATOM 0 HB3 LEU A 55 -11.552 1.080 -15.131 1.00 2.53 H new ATOM 0 HG LEU A 55 -14.180 -0.260 -14.481 1.00 24.51 H new ATOM 0 HD11 LEU A 55 -15.093 1.988 -14.870 1.00 62.22 H new ATOM 0 HD12 LEU A 55 -13.878 1.974 -13.569 1.00 62.22 H new ATOM 0 HD13 LEU A 55 -13.450 2.597 -15.180 1.00 62.22 H new ATOM 0 HD21 LEU A 55 -14.960 0.347 -16.733 1.00 22.15 H new ATOM 0 HD22 LEU A 55 -13.307 0.848 -17.165 1.00 22.15 H new ATOM 0 HD23 LEU A 55 -13.649 -0.856 -16.780 1.00 22.15 H new ATOM 860 N MET A 56 -10.215 -0.805 -17.372 1.00 53.34 N ATOM 861 CA MET A 56 -9.021 -0.593 -18.172 1.00 25.02 C ATOM 862 C MET A 56 -9.116 0.711 -18.966 1.00 73.04 C ATOM 863 O MET A 56 -10.211 1.217 -19.206 1.00 75.13 O ATOM 864 CB MET A 56 -8.837 -1.766 -19.136 1.00 61.43 C ATOM 865 CG MET A 56 -8.724 -3.089 -18.375 1.00 63.03 C ATOM 866 SD MET A 56 -7.006 -3.487 -18.096 1.00 35.53 S ATOM 867 CE MET A 56 -7.066 -3.917 -16.364 1.00 42.40 C ATOM 0 H MET A 56 -11.070 -0.941 -17.911 1.00 53.34 H new ATOM 0 HA MET A 56 -8.165 -0.525 -17.501 1.00 25.02 H new ATOM 0 HB2 MET A 56 -9.680 -1.810 -19.826 1.00 61.43 H new ATOM 0 HB3 MET A 56 -7.941 -1.610 -19.737 1.00 61.43 H new ATOM 0 HG2 MET A 56 -9.248 -3.016 -17.422 1.00 63.03 H new ATOM 0 HG3 MET A 56 -9.203 -3.887 -18.942 1.00 63.03 H new ATOM 0 HE1 MET A 56 -6.056 -3.916 -15.954 1.00 42.40 H new ATOM 0 HE2 MET A 56 -7.675 -3.189 -15.829 1.00 42.40 H new ATOM 0 HE3 MET A 56 -7.503 -4.909 -16.250 1.00 42.40 H new ATOM 877 N PRO A 57 -7.924 1.231 -19.363 1.00 50.30 N ATOM 878 CA PRO A 57 -7.863 2.467 -20.126 1.00 31.44 C ATOM 879 C PRO A 57 -8.285 2.236 -21.578 1.00 61.21 C ATOM 880 O PRO A 57 -8.459 3.188 -22.336 1.00 53.35 O ATOM 881 CB PRO A 57 -6.425 2.940 -19.993 1.00 10.42 C ATOM 882 CG PRO A 57 -5.624 1.725 -19.555 1.00 34.31 C ATOM 883 CD PRO A 57 -6.607 0.660 -19.097 1.00 73.51 C ATOM 0 HA PRO A 57 -8.553 3.225 -19.756 1.00 31.44 H new ATOM 0 HB2 PRO A 57 -6.054 3.332 -20.940 1.00 10.42 H new ATOM 0 HB3 PRO A 57 -6.345 3.745 -19.262 1.00 10.42 H new ATOM 0 HG2 PRO A 57 -5.014 1.353 -20.378 1.00 34.31 H new ATOM 0 HG3 PRO A 57 -4.942 1.988 -18.746 1.00 34.31 H new ATOM 0 HD2 PRO A 57 -6.463 -0.273 -19.642 1.00 73.51 H new ATOM 0 HD3 PRO A 57 -6.480 0.433 -18.038 1.00 73.51 H new ATOM 891 N ASP A 58 -8.437 0.965 -21.922 1.00 1.32 N ATOM 892 CA ASP A 58 -8.835 0.597 -23.270 1.00 11.21 C ATOM 893 C ASP A 58 -10.319 0.226 -23.275 1.00 54.11 C ATOM 894 O ASP A 58 -10.835 -0.270 -24.275 1.00 73.53 O ATOM 895 CB ASP A 58 -8.043 -0.614 -23.767 1.00 13.12 C ATOM 896 CG ASP A 58 -8.544 -1.220 -25.079 1.00 51.35 C ATOM 897 OD1 ASP A 58 -9.098 -0.516 -25.937 1.00 63.14 O ATOM 898 OD2 ASP A 58 -8.344 -2.488 -25.206 1.00 44.32 O ATOM 0 H ASP A 58 -8.292 0.177 -21.290 1.00 1.32 H new ATOM 0 HA ASP A 58 -8.640 1.448 -23.923 1.00 11.21 H new ATOM 0 HB2 ASP A 58 -7.001 -0.320 -23.894 1.00 13.12 H new ATOM 0 HB3 ASP A 58 -8.065 -1.385 -22.997 1.00 13.12 H new ATOM 904 N MET A 59 -10.964 0.481 -22.146 1.00 54.43 N ATOM 905 CA MET A 59 -12.379 0.180 -22.008 1.00 52.52 C ATOM 906 C MET A 59 -13.180 1.444 -21.687 1.00 2.11 C ATOM 907 O MET A 59 -14.343 1.363 -21.294 1.00 43.44 O ATOM 908 CB MET A 59 -12.576 -0.847 -20.891 1.00 51.44 C ATOM 909 CG MET A 59 -12.065 -2.224 -21.317 1.00 62.43 C ATOM 910 SD MET A 59 -12.726 -3.482 -20.237 1.00 11.33 S ATOM 911 CE MET A 59 -12.287 -2.790 -18.651 1.00 11.11 C ATOM 0 H MET A 59 -10.533 0.893 -21.318 1.00 54.43 H new ATOM 0 HA MET A 59 -12.739 -0.225 -22.954 1.00 52.52 H new ATOM 0 HB2 MET A 59 -12.049 -0.521 -19.995 1.00 51.44 H new ATOM 0 HB3 MET A 59 -13.633 -0.911 -20.633 1.00 51.44 H new ATOM 0 HG2 MET A 59 -12.358 -2.427 -22.347 1.00 62.43 H new ATOM 0 HG3 MET A 59 -10.976 -2.242 -21.286 1.00 62.43 H new ATOM 0 HE1 MET A 59 -12.690 -3.418 -17.856 1.00 11.11 H new ATOM 0 HE2 MET A 59 -11.202 -2.744 -18.562 1.00 11.11 H new ATOM 0 HE3 MET A 59 -12.701 -1.785 -18.565 1.00 11.11 H new ATOM 921 N VAL A 60 -12.525 2.582 -21.866 1.00 13.14 N ATOM 922 CA VAL A 60 -13.162 3.861 -21.600 1.00 4.14 C ATOM 923 C VAL A 60 -13.043 4.752 -22.838 1.00 4.34 C ATOM 924 O VAL A 60 -11.970 4.858 -23.430 1.00 3.23 O ATOM 925 CB VAL A 60 -12.557 4.496 -20.346 1.00 23.23 C ATOM 926 CG1 VAL A 60 -13.162 5.876 -20.083 1.00 53.12 C ATOM 927 CG2 VAL A 60 -12.729 3.582 -19.131 1.00 64.50 C ATOM 0 H VAL A 60 -11.560 2.645 -22.192 1.00 13.14 H new ATOM 0 HA VAL A 60 -14.224 3.724 -21.399 1.00 4.14 H new ATOM 0 HB VAL A 60 -11.489 4.626 -20.519 1.00 23.23 H new ATOM 0 HG11 VAL A 60 -12.714 6.305 -19.186 1.00 53.12 H new ATOM 0 HG12 VAL A 60 -12.965 6.528 -20.934 1.00 53.12 H new ATOM 0 HG13 VAL A 60 -14.238 5.780 -19.941 1.00 53.12 H new ATOM 0 HG21 VAL A 60 -12.290 4.057 -18.253 1.00 64.50 H new ATOM 0 HG22 VAL A 60 -13.790 3.405 -18.956 1.00 64.50 H new ATOM 0 HG23 VAL A 60 -12.229 2.631 -19.317 1.00 64.50 H new ATOM 937 N LYS A 61 -14.160 5.370 -23.192 1.00 4.40 N ATOM 938 CA LYS A 61 -14.194 6.249 -24.349 1.00 0.02 C ATOM 939 C LYS A 61 -13.761 7.655 -23.929 1.00 14.22 C ATOM 940 O LYS A 61 -13.967 8.056 -22.784 1.00 73.02 O ATOM 941 CB LYS A 61 -15.570 6.203 -25.016 1.00 60.52 C ATOM 942 CG LYS A 61 -16.306 4.908 -24.665 1.00 72.01 C ATOM 943 CD LYS A 61 -17.146 4.417 -25.846 1.00 42.12 C ATOM 944 CE LYS A 61 -18.618 4.283 -25.454 1.00 34.34 C ATOM 945 NZ LYS A 61 -19.492 4.770 -26.544 1.00 71.04 N ATOM 0 H LYS A 61 -15.048 5.280 -22.698 1.00 4.40 H new ATOM 0 HA LYS A 61 -13.487 5.910 -25.106 1.00 0.02 H new ATOM 0 HB2 LYS A 61 -16.162 7.060 -24.696 1.00 60.52 H new ATOM 0 HB3 LYS A 61 -15.457 6.280 -26.097 1.00 60.52 H new ATOM 0 HG2 LYS A 61 -15.585 4.141 -24.383 1.00 72.01 H new ATOM 0 HG3 LYS A 61 -16.949 5.074 -23.801 1.00 72.01 H new ATOM 0 HD2 LYS A 61 -17.050 5.113 -26.679 1.00 42.12 H new ATOM 0 HD3 LYS A 61 -16.768 3.454 -26.190 1.00 42.12 H new ATOM 0 HE2 LYS A 61 -18.848 3.241 -25.234 1.00 34.34 H new ATOM 0 HE3 LYS A 61 -18.811 4.851 -24.544 1.00 34.34 H new ATOM 0 HZ1 LYS A 61 -20.307 4.133 -26.646 1.00 71.04 H new ATOM 0 HZ2 LYS A 61 -19.828 5.728 -26.318 1.00 71.04 H new ATOM 0 HZ3 LYS A 61 -18.956 4.792 -27.435 1.00 71.04 H new ATOM 958 N GLY A 62 -13.170 8.366 -24.878 1.00 21.14 N ATOM 959 CA GLY A 62 -12.706 9.719 -24.620 1.00 75.14 C ATOM 960 C GLY A 62 -11.708 9.745 -23.461 1.00 40.44 C ATOM 961 O GLY A 62 -11.422 10.806 -22.908 1.00 11.01 O ATOM 0 H GLY A 62 -13.002 8.031 -25.827 1.00 21.14 H new ATOM 0 HA2 GLY A 62 -12.237 10.124 -25.517 1.00 75.14 H new ATOM 0 HA3 GLY A 62 -13.556 10.360 -24.387 1.00 75.14 H new ATOM 965 N TYR A 63 -11.205 8.566 -23.129 1.00 21.24 N ATOM 966 CA TYR A 63 -10.244 8.440 -22.045 1.00 54.55 C ATOM 967 C TYR A 63 -8.836 8.807 -22.517 1.00 24.32 C ATOM 968 O TYR A 63 -8.620 9.062 -23.701 1.00 10.25 O ATOM 969 CB TYR A 63 -10.264 6.967 -21.633 1.00 13.43 C ATOM 970 CG TYR A 63 -9.263 6.616 -20.531 1.00 4.41 C ATOM 971 CD1 TYR A 63 -9.633 6.715 -19.205 1.00 24.42 C ATOM 972 CD2 TYR A 63 -7.989 6.202 -20.863 1.00 21.52 C ATOM 973 CE1 TYR A 63 -8.690 6.384 -18.168 1.00 2.22 C ATOM 974 CE2 TYR A 63 -7.046 5.871 -19.826 1.00 10.22 C ATOM 975 CZ TYR A 63 -7.443 5.979 -18.529 1.00 71.24 C ATOM 976 OH TYR A 63 -6.553 5.667 -17.550 1.00 24.20 O ATOM 0 H TYR A 63 -11.444 7.689 -23.591 1.00 21.24 H new ATOM 0 HA TYR A 63 -10.502 9.107 -21.223 1.00 54.55 H new ATOM 0 HB2 TYR A 63 -11.267 6.709 -21.294 1.00 13.43 H new ATOM 0 HB3 TYR A 63 -10.055 6.352 -22.509 1.00 13.43 H new ATOM 0 HD1 TYR A 63 -10.629 7.041 -18.945 1.00 24.42 H new ATOM 0 HD2 TYR A 63 -7.699 6.126 -21.901 1.00 21.52 H new ATOM 0 HE1 TYR A 63 -8.967 6.456 -17.127 1.00 2.22 H new ATOM 0 HE2 TYR A 63 -6.046 5.544 -20.072 1.00 10.22 H new ATOM 0 HH TYR A 63 -6.734 6.214 -16.757 1.00 24.20 H new ATOM 986 N ALA A 64 -7.913 8.821 -21.566 1.00 31.30 N ATOM 987 CA ALA A 64 -6.531 9.151 -21.869 1.00 0.40 C ATOM 988 C ALA A 64 -5.735 9.242 -20.565 1.00 52.03 C ATOM 989 O ALA A 64 -6.311 9.428 -19.494 1.00 64.13 O ATOM 990 CB ALA A 64 -6.482 10.452 -22.674 1.00 23.33 C ATOM 0 H ALA A 64 -8.096 8.609 -20.585 1.00 31.30 H new ATOM 0 HA ALA A 64 -6.075 8.372 -22.480 1.00 0.40 H new ATOM 0 HB1 ALA A 64 -5.445 10.700 -22.902 1.00 23.33 H new ATOM 0 HB2 ALA A 64 -7.037 10.326 -23.603 1.00 23.33 H new ATOM 0 HB3 ALA A 64 -6.928 11.258 -22.091 1.00 23.33 H new ATOM 996 N PRO A 65 -4.389 9.103 -20.703 1.00 33.13 N ATOM 997 CA PRO A 65 -3.509 9.167 -19.549 1.00 3.12 C ATOM 998 C PRO A 65 -3.345 10.609 -19.063 1.00 60.25 C ATOM 999 O PRO A 65 -4.146 11.477 -19.405 1.00 52.41 O ATOM 1000 CB PRO A 65 -2.203 8.546 -20.016 1.00 24.54 C ATOM 1001 CG PRO A 65 -2.244 8.581 -21.535 1.00 23.23 C ATOM 1002 CD PRO A 65 -3.673 8.882 -21.955 1.00 61.44 C ATOM 0 HA PRO A 65 -3.905 8.629 -18.688 1.00 3.12 H new ATOM 0 HB2 PRO A 65 -1.347 9.104 -19.636 1.00 24.54 H new ATOM 0 HB3 PRO A 65 -2.104 7.523 -19.651 1.00 24.54 H new ATOM 0 HG2 PRO A 65 -1.565 9.343 -21.918 1.00 23.23 H new ATOM 0 HG3 PRO A 65 -1.918 7.627 -21.948 1.00 23.23 H new ATOM 0 HD2 PRO A 65 -3.720 9.761 -22.598 1.00 61.44 H new ATOM 0 HD3 PRO A 65 -4.104 8.053 -22.516 1.00 61.44 H new ATOM 1010 N ALA A 66 -2.302 10.819 -18.275 1.00 25.15 N ATOM 1011 CA ALA A 66 -2.022 12.141 -17.739 1.00 33.51 C ATOM 1012 C ALA A 66 -0.547 12.477 -17.967 1.00 55.52 C ATOM 1013 O ALA A 66 0.283 11.581 -18.109 1.00 1.24 O ATOM 1014 CB ALA A 66 -2.408 12.184 -16.259 1.00 21.41 C ATOM 0 H ALA A 66 -1.640 10.096 -17.994 1.00 25.15 H new ATOM 0 HA ALA A 66 -2.615 12.897 -18.253 1.00 33.51 H new ATOM 0 HB1 ALA A 66 -2.198 13.175 -15.857 1.00 21.41 H new ATOM 0 HB2 ALA A 66 -3.471 11.967 -16.154 1.00 21.41 H new ATOM 0 HB3 ALA A 66 -1.830 11.440 -15.711 1.00 21.41 H new TER 1020 ALA A 66