USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 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 66 HIS : no HE2:sc= -5.35! C(o=-5.6!,f=-14!) USER MOD Set 1.2: A 70 GLN : amide:sc= -0.227 K(o=-5.6,f=-8.4!) USER MOD Set 2.1: A 55 SER OG : rot 65:sc= 0.575 USER MOD Set 2.2: A 83 THR OG1 : rot 148:sc= 1.31 USER MOD Set 3.1: A 29 MET CE :methyl -106:sc= -0.126 (180deg=0) USER MOD Set 3.2: A 32 THR OG1 : rot 150:sc= -0.0193 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -37:sc= 1.04 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0939 K(o=-0.094,f=-1.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.1) USER MOD Single : A 64 MET CE :methyl 169:sc= -0.152 (180deg=-0.224) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 71 ASN :FLIP amide:sc= -3.25! C(o=-4.4!,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= -0.186 (180deg=-0.31) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 61:sc= -3.84! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -163:sc= -0.902 (180deg=-2.34) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.326 -19.849 15.776 1.00 0.00 N ATOM 2 CA GLY A 1 -0.154 -18.425 16.007 1.00 0.00 C ATOM 3 C GLY A 1 -1.502 -17.702 16.002 1.00 0.00 C ATOM 4 O GLY A 1 -2.028 -17.368 14.941 1.00 0.00 O ATOM 0 H1 GLY A 1 0.603 -20.317 15.784 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.923 -20.253 16.526 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.781 -19.998 14.853 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.345 -18.266 16.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.492 -18.003 15.237 1.00 0.00 H new ATOM 8 N SER A 2 -2.023 -17.481 17.200 1.00 0.00 N ATOM 9 CA SER A 2 -3.301 -16.804 17.347 1.00 0.00 C ATOM 10 C SER A 2 -3.075 -15.313 17.611 1.00 0.00 C ATOM 11 O SER A 2 -2.330 -14.945 18.517 1.00 0.00 O ATOM 12 CB SER A 2 -4.126 -17.423 18.477 1.00 0.00 C ATOM 13 OG SER A 2 -5.171 -18.255 17.980 1.00 0.00 O ATOM 0 H SER A 2 -1.584 -17.759 18.078 1.00 0.00 H new ATOM 0 HA SER A 2 -3.860 -16.923 16.419 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.473 -18.009 19.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.554 -16.630 19.090 1.00 0.00 H new ATOM 0 HG SER A 2 -5.674 -18.633 18.732 1.00 0.00 H new ATOM 19 N SER A 3 -3.734 -14.496 16.802 1.00 0.00 N ATOM 20 CA SER A 3 -3.615 -13.054 16.936 1.00 0.00 C ATOM 21 C SER A 3 -4.991 -12.437 17.193 1.00 0.00 C ATOM 22 O SER A 3 -5.218 -11.831 18.239 1.00 0.00 O ATOM 23 CB SER A 3 -2.980 -12.435 15.689 1.00 0.00 C ATOM 24 OG SER A 3 -1.913 -11.550 16.017 1.00 0.00 O ATOM 0 H SER A 3 -4.352 -14.805 16.052 1.00 0.00 H new ATOM 0 HA SER A 3 -2.965 -12.842 17.785 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.607 -13.228 15.040 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.740 -11.894 15.126 1.00 0.00 H new ATOM 0 HG SER A 3 -1.533 -11.177 15.194 1.00 0.00 H new ATOM 30 N GLY A 4 -5.873 -12.613 16.220 1.00 0.00 N ATOM 31 CA GLY A 4 -7.221 -12.081 16.328 1.00 0.00 C ATOM 32 C GLY A 4 -7.508 -11.083 15.203 1.00 0.00 C ATOM 33 O GLY A 4 -7.205 -11.349 14.041 1.00 0.00 O ATOM 0 H GLY A 4 -5.681 -13.116 15.354 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.942 -12.897 16.288 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.347 -11.592 17.294 1.00 0.00 H new ATOM 37 N SER A 5 -8.090 -9.957 15.589 1.00 0.00 N ATOM 38 CA SER A 5 -8.421 -8.919 14.628 1.00 0.00 C ATOM 39 C SER A 5 -7.517 -7.702 14.839 1.00 0.00 C ATOM 40 O SER A 5 -6.825 -7.607 15.851 1.00 0.00 O ATOM 41 CB SER A 5 -9.892 -8.513 14.741 1.00 0.00 C ATOM 42 OG SER A 5 -10.116 -7.613 15.823 1.00 0.00 O ATOM 0 H SER A 5 -8.341 -9.741 16.554 1.00 0.00 H new ATOM 0 HA SER A 5 -8.257 -9.316 13.626 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.212 -8.046 13.809 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.505 -9.404 14.878 1.00 0.00 H new ATOM 0 HG SER A 5 -11.066 -7.377 15.860 1.00 0.00 H new ATOM 48 N SER A 6 -7.553 -6.803 13.867 1.00 0.00 N ATOM 49 CA SER A 6 -6.746 -5.596 13.934 1.00 0.00 C ATOM 50 C SER A 6 -5.294 -5.956 14.255 1.00 0.00 C ATOM 51 O SER A 6 -4.957 -7.131 14.393 1.00 0.00 O ATOM 52 CB SER A 6 -7.295 -4.623 14.978 1.00 0.00 C ATOM 53 OG SER A 6 -6.915 -4.990 16.302 1.00 0.00 O ATOM 0 H SER A 6 -8.128 -6.886 13.029 1.00 0.00 H new ATOM 0 HA SER A 6 -6.786 -5.103 12.963 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.933 -3.618 14.762 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.382 -4.592 14.908 1.00 0.00 H new ATOM 0 HG SER A 6 -6.917 -5.967 16.384 1.00 0.00 H new ATOM 59 N GLY A 7 -4.472 -4.922 14.364 1.00 0.00 N ATOM 60 CA GLY A 7 -3.064 -5.114 14.666 1.00 0.00 C ATOM 61 C GLY A 7 -2.181 -4.371 13.661 1.00 0.00 C ATOM 62 O GLY A 7 -2.555 -4.212 12.500 1.00 0.00 O ATOM 0 H GLY A 7 -4.755 -3.949 14.248 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.853 -4.758 15.674 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.826 -6.178 14.648 1.00 0.00 H new ATOM 66 N SER A 8 -1.027 -3.935 14.144 1.00 0.00 N ATOM 67 CA SER A 8 -0.088 -3.213 13.303 1.00 0.00 C ATOM 68 C SER A 8 1.104 -4.109 12.961 1.00 0.00 C ATOM 69 O SER A 8 1.450 -5.007 13.727 1.00 0.00 O ATOM 70 CB SER A 8 0.390 -1.930 13.986 1.00 0.00 C ATOM 71 OG SER A 8 0.778 -2.159 15.338 1.00 0.00 O ATOM 0 H SER A 8 -0.721 -4.068 15.108 1.00 0.00 H new ATOM 0 HA SER A 8 -0.599 -2.933 12.382 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.233 -1.516 13.432 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.406 -1.186 13.958 1.00 0.00 H new ATOM 0 HG SER A 8 1.078 -1.317 15.739 1.00 0.00 H new ATOM 77 N VAL A 9 1.700 -3.833 11.810 1.00 0.00 N ATOM 78 CA VAL A 9 2.846 -4.602 11.358 1.00 0.00 C ATOM 79 C VAL A 9 4.042 -3.666 11.172 1.00 0.00 C ATOM 80 O VAL A 9 3.870 -2.460 11.003 1.00 0.00 O ATOM 81 CB VAL A 9 2.489 -5.375 10.087 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.541 -4.565 9.200 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.749 -5.778 9.317 1.00 0.00 C ATOM 0 H VAL A 9 1.410 -3.087 11.177 1.00 0.00 H new ATOM 0 HA VAL A 9 3.127 -5.344 12.106 1.00 0.00 H new ATOM 0 HB VAL A 9 1.972 -6.287 10.385 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.303 -5.138 8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.623 -4.351 9.748 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.020 -3.628 8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.466 -6.326 8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.306 -4.884 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.373 -6.412 9.947 1.00 0.00 H new ATOM 93 N SER A 10 5.227 -4.258 11.208 1.00 0.00 N ATOM 94 CA SER A 10 6.451 -3.491 11.046 1.00 0.00 C ATOM 95 C SER A 10 7.308 -4.104 9.936 1.00 0.00 C ATOM 96 O SER A 10 7.648 -5.285 9.989 1.00 0.00 O ATOM 97 CB SER A 10 7.241 -3.432 12.354 1.00 0.00 C ATOM 98 OG SER A 10 8.482 -2.748 12.198 1.00 0.00 O ATOM 0 H SER A 10 5.366 -5.259 11.347 1.00 0.00 H new ATOM 0 HA SER A 10 6.182 -2.472 10.769 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.644 -2.931 13.116 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.428 -4.445 12.711 1.00 0.00 H new ATOM 0 HG SER A 10 8.956 -2.730 13.056 1.00 0.00 H new ATOM 104 N LEU A 11 7.634 -3.272 8.957 1.00 0.00 N ATOM 105 CA LEU A 11 8.445 -3.717 7.836 1.00 0.00 C ATOM 106 C LEU A 11 9.776 -2.964 7.845 1.00 0.00 C ATOM 107 O LEU A 11 9.841 -1.816 8.283 1.00 0.00 O ATOM 108 CB LEU A 11 7.668 -3.578 6.525 1.00 0.00 C ATOM 109 CG LEU A 11 6.244 -4.136 6.526 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.563 -3.906 5.176 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.233 -5.612 6.929 1.00 0.00 C ATOM 0 H LEU A 11 7.351 -2.293 8.917 1.00 0.00 H new ATOM 0 HA LEU A 11 8.678 -4.778 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.622 -2.521 6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.232 -4.077 5.737 1.00 0.00 H new ATOM 0 HG LEU A 11 5.666 -3.593 7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.552 -4.312 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.519 -2.837 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.132 -4.405 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.208 -5.984 6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.832 -6.186 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.650 -5.719 7.930 1.00 0.00 H new ATOM 123 N VAL A 12 10.805 -3.640 7.357 1.00 0.00 N ATOM 124 CA VAL A 12 12.132 -3.049 7.303 1.00 0.00 C ATOM 125 C VAL A 12 12.580 -2.945 5.844 1.00 0.00 C ATOM 126 O VAL A 12 12.917 -3.951 5.221 1.00 0.00 O ATOM 127 CB VAL A 12 13.100 -3.857 8.170 1.00 0.00 C ATOM 128 CG1 VAL A 12 14.537 -3.362 7.993 1.00 0.00 C ATOM 129 CG2 VAL A 12 12.683 -3.815 9.641 1.00 0.00 C ATOM 0 H VAL A 12 10.747 -4.592 6.995 1.00 0.00 H new ATOM 0 HA VAL A 12 12.117 -2.038 7.711 1.00 0.00 H new ATOM 0 HB VAL A 12 13.060 -4.895 7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.205 -3.953 8.620 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.832 -3.467 6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.599 -2.313 8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.387 -4.397 10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.681 -2.782 9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.683 -4.236 9.748 1.00 0.00 H new ATOM 139 N GLY A 13 12.570 -1.719 5.341 1.00 0.00 N ATOM 140 CA GLY A 13 12.972 -1.471 3.967 1.00 0.00 C ATOM 141 C GLY A 13 13.018 0.029 3.672 1.00 0.00 C ATOM 142 O GLY A 13 12.330 0.815 4.322 1.00 0.00 O ATOM 0 H GLY A 13 12.290 -0.887 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.953 -1.911 3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.274 -1.958 3.286 1.00 0.00 H new ATOM 146 N PRO A 14 13.857 0.392 2.665 1.00 0.00 N ATOM 147 CA PRO A 14 14.001 1.784 2.275 1.00 0.00 C ATOM 148 C PRO A 14 12.785 2.260 1.479 1.00 0.00 C ATOM 149 O PRO A 14 12.676 3.441 1.151 1.00 0.00 O ATOM 150 CB PRO A 14 15.293 1.837 1.475 1.00 0.00 C ATOM 151 CG PRO A 14 15.579 0.405 1.052 1.00 0.00 C ATOM 152 CD PRO A 14 14.687 -0.511 1.873 1.00 0.00 C ATOM 0 HA PRO A 14 14.050 2.457 3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.189 2.487 0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.109 2.237 2.077 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.383 0.275 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.629 0.161 1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.078 -1.149 1.232 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.276 -1.169 2.511 1.00 0.00 H new ATOM 160 N ALA A 15 11.900 1.317 1.192 1.00 0.00 N ATOM 161 CA ALA A 15 10.695 1.625 0.440 1.00 0.00 C ATOM 162 C ALA A 15 10.112 0.332 -0.134 1.00 0.00 C ATOM 163 O ALA A 15 8.922 0.061 0.020 1.00 0.00 O ATOM 164 CB ALA A 15 11.020 2.651 -0.647 1.00 0.00 C ATOM 0 H ALA A 15 11.993 0.339 1.467 1.00 0.00 H new ATOM 0 HA ALA A 15 9.940 2.067 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.116 2.882 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.402 3.561 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.773 2.242 -1.320 1.00 0.00 H new ATOM 170 N PRO A 16 11.001 -0.453 -0.800 1.00 0.00 N ATOM 171 CA PRO A 16 10.587 -1.711 -1.398 1.00 0.00 C ATOM 172 C PRO A 16 10.387 -2.786 -0.328 1.00 0.00 C ATOM 173 O PRO A 16 11.244 -3.649 -0.143 1.00 0.00 O ATOM 174 CB PRO A 16 11.686 -2.056 -2.389 1.00 0.00 C ATOM 175 CG PRO A 16 12.893 -1.227 -1.979 1.00 0.00 C ATOM 176 CD PRO A 16 12.418 -0.164 -1.002 1.00 0.00 C ATOM 0 HA PRO A 16 9.623 -1.641 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.916 -3.121 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.380 -1.822 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.651 -1.859 -1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.353 -0.765 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.970 -0.214 -0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.564 0.838 -1.405 1.00 0.00 H new ATOM 184 N TRP A 17 9.251 -2.700 0.347 1.00 0.00 N ATOM 185 CA TRP A 17 8.928 -3.655 1.394 1.00 0.00 C ATOM 186 C TRP A 17 8.574 -4.985 0.726 1.00 0.00 C ATOM 187 O TRP A 17 8.684 -6.043 1.345 1.00 0.00 O ATOM 188 CB TRP A 17 7.812 -3.123 2.296 1.00 0.00 C ATOM 189 CG TRP A 17 7.838 -1.606 2.489 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.247 -0.668 1.736 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.515 -0.884 3.539 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.493 0.600 2.221 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.289 0.464 3.353 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.294 -1.355 4.611 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.806 1.453 4.199 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.803 -0.355 5.447 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.585 1.007 5.273 1.00 0.00 C ATOM 0 H TRP A 17 8.542 -1.984 0.190 1.00 0.00 H new ATOM 0 HA TRP A 17 9.783 -3.812 2.051 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.849 -3.409 1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.886 -3.604 3.271 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.653 -0.878 0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.154 1.476 1.823 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.484 -2.405 4.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.614 2.503 4.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.408 -0.663 6.287 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.015 1.718 5.963 1.00 0.00 H new ATOM 208 N GLY A 18 8.158 -4.890 -0.528 1.00 0.00 N ATOM 209 CA GLY A 18 7.787 -6.073 -1.286 1.00 0.00 C ATOM 210 C GLY A 18 6.269 -6.167 -1.447 1.00 0.00 C ATOM 211 O GLY A 18 5.721 -7.262 -1.573 1.00 0.00 O ATOM 0 H GLY A 18 8.070 -4.011 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.259 -6.043 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.159 -6.964 -0.781 1.00 0.00 H new ATOM 215 N PHE A 19 5.631 -5.006 -1.438 1.00 0.00 N ATOM 216 CA PHE A 19 4.187 -4.944 -1.582 1.00 0.00 C ATOM 217 C PHE A 19 3.758 -3.640 -2.258 1.00 0.00 C ATOM 218 O PHE A 19 4.446 -2.626 -2.149 1.00 0.00 O ATOM 219 CB PHE A 19 3.594 -4.992 -0.172 1.00 0.00 C ATOM 220 CG PHE A 19 3.689 -3.668 0.588 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.935 -2.605 0.199 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.527 -3.553 1.653 1.00 0.00 C ATOM 223 CE1 PHE A 19 3.023 -1.376 0.905 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.616 -2.324 2.359 1.00 0.00 C ATOM 225 CZ PHE A 19 3.861 -1.261 1.970 1.00 0.00 C ATOM 0 H PHE A 19 6.088 -4.100 -1.333 1.00 0.00 H new ATOM 0 HA PHE A 19 3.839 -5.773 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.547 -5.286 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.106 -5.765 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.269 -2.696 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.125 -4.397 1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.424 -0.532 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.282 -2.233 3.204 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.927 -0.326 2.507 1.00 0.00 H new ATOM 235 N ARG A 20 2.625 -3.710 -2.941 1.00 0.00 N ATOM 236 CA ARG A 20 2.097 -2.547 -3.635 1.00 0.00 C ATOM 237 C ARG A 20 0.749 -2.139 -3.037 1.00 0.00 C ATOM 238 O ARG A 20 0.122 -2.919 -2.321 1.00 0.00 O ATOM 239 CB ARG A 20 1.920 -2.831 -5.128 1.00 0.00 C ATOM 240 CG ARG A 20 3.259 -2.753 -5.863 1.00 0.00 C ATOM 241 CD ARG A 20 3.225 -1.679 -6.953 1.00 0.00 C ATOM 242 NE ARG A 20 3.844 -2.197 -8.194 1.00 0.00 N ATOM 243 CZ ARG A 20 3.231 -3.028 -9.049 1.00 0.00 C ATOM 244 NH1 ARG A 20 1.980 -3.439 -8.804 1.00 0.00 N ATOM 245 NH2 ARG A 20 3.870 -3.446 -10.150 1.00 0.00 N ATOM 0 H ARG A 20 2.058 -4.553 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 20 2.813 -1.734 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.483 -3.820 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.222 -2.113 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.055 -2.530 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.490 -3.721 -6.308 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.195 -1.380 -7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.757 -0.790 -6.615 1.00 0.00 H new ATOM 0 HE ARG A 20 4.796 -1.903 -8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.493 -3.120 -7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.514 -4.071 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.822 -3.132 -10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.404 -4.078 -10.801 1.00 0.00 H new ATOM 259 N LEU A 21 0.344 -0.918 -3.352 1.00 0.00 N ATOM 260 CA LEU A 21 -0.918 -0.396 -2.854 1.00 0.00 C ATOM 261 C LEU A 21 -1.792 0.026 -4.037 1.00 0.00 C ATOM 262 O LEU A 21 -1.279 0.432 -5.079 1.00 0.00 O ATOM 263 CB LEU A 21 -0.673 0.722 -1.840 1.00 0.00 C ATOM 264 CG LEU A 21 -0.104 0.289 -0.487 1.00 0.00 C ATOM 265 CD1 LEU A 21 -0.225 1.413 0.544 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.763 -1.005 -0.005 1.00 0.00 C ATOM 0 H LEU A 21 0.867 -0.275 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.464 -1.169 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.011 1.445 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.616 1.240 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 21 0.959 0.082 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.187 1.079 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.327 2.286 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.275 1.675 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.341 -1.291 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.837 -0.849 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.581 -1.798 -0.731 1.00 0.00 H new ATOM 278 N GLN A 22 -3.097 -0.084 -3.836 1.00 0.00 N ATOM 279 CA GLN A 22 -4.047 0.282 -4.873 1.00 0.00 C ATOM 280 C GLN A 22 -5.357 0.765 -4.247 1.00 0.00 C ATOM 281 O GLN A 22 -5.704 0.361 -3.138 1.00 0.00 O ATOM 282 CB GLN A 22 -4.294 -0.888 -5.828 1.00 0.00 C ATOM 283 CG GLN A 22 -5.015 -2.034 -5.115 1.00 0.00 C ATOM 284 CD GLN A 22 -5.654 -2.991 -6.124 1.00 0.00 C ATOM 285 OE1 GLN A 22 -6.137 -2.597 -7.173 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.630 -4.267 -5.749 1.00 0.00 N ATOM 0 H GLN A 22 -3.519 -0.421 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.622 1.100 -5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.890 -0.550 -6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.344 -1.243 -6.227 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.309 -2.579 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.782 -1.631 -4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.210 -4.529 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.032 -4.984 -6.353 1.00 0.00 H new ATOM 295 N GLY A 23 -6.048 1.622 -4.984 1.00 0.00 N ATOM 296 CA GLY A 23 -7.311 2.164 -4.514 1.00 0.00 C ATOM 297 C GLY A 23 -7.111 3.530 -3.855 1.00 0.00 C ATOM 298 O GLY A 23 -6.072 4.163 -4.033 1.00 0.00 O ATOM 0 H GLY A 23 -5.757 1.954 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.004 2.258 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.763 1.475 -3.801 1.00 0.00 H new ATOM 302 N GLY A 24 -8.123 3.944 -3.106 1.00 0.00 N ATOM 303 CA GLY A 24 -8.071 5.223 -2.419 1.00 0.00 C ATOM 304 C GLY A 24 -9.322 6.054 -2.711 1.00 0.00 C ATOM 305 O GLY A 24 -10.159 5.658 -3.522 1.00 0.00 O ATOM 0 H GLY A 24 -8.983 3.416 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.981 5.059 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.184 5.773 -2.733 1.00 0.00 H new ATOM 309 N LYS A 25 -9.410 7.190 -2.035 1.00 0.00 N ATOM 310 CA LYS A 25 -10.545 8.080 -2.213 1.00 0.00 C ATOM 311 C LYS A 25 -10.587 8.563 -3.664 1.00 0.00 C ATOM 312 O LYS A 25 -11.657 8.854 -4.194 1.00 0.00 O ATOM 313 CB LYS A 25 -10.502 9.214 -1.187 1.00 0.00 C ATOM 314 CG LYS A 25 -11.841 9.951 -1.128 1.00 0.00 C ATOM 315 CD LYS A 25 -11.937 10.813 0.133 1.00 0.00 C ATOM 316 CE LYS A 25 -11.349 12.205 -0.109 1.00 0.00 C ATOM 317 NZ LYS A 25 -10.760 12.742 1.138 1.00 0.00 N ATOM 0 H LYS A 25 -8.714 7.515 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.479 7.549 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.261 8.810 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.708 9.915 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.954 10.579 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.658 9.230 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.980 10.903 0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.406 10.327 0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.586 12.154 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.127 12.877 -0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.365 13.687 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.497 12.809 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.003 12.108 1.466 1.00 0.00 H new ATOM 331 N ASP A 26 -9.408 8.635 -4.264 1.00 0.00 N ATOM 332 CA ASP A 26 -9.296 9.078 -5.643 1.00 0.00 C ATOM 333 C ASP A 26 -9.649 7.919 -6.577 1.00 0.00 C ATOM 334 O ASP A 26 -9.982 8.135 -7.742 1.00 0.00 O ATOM 335 CB ASP A 26 -7.868 9.526 -5.964 1.00 0.00 C ATOM 336 CG ASP A 26 -7.535 9.606 -7.455 1.00 0.00 C ATOM 337 OD1 ASP A 26 -8.354 10.201 -8.188 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.469 9.071 -7.828 1.00 0.00 O ATOM 0 H ASP A 26 -8.522 8.394 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.977 9.917 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.702 10.506 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.171 8.836 -5.488 1.00 0.00 H new ATOM 343 N PHE A 27 -9.564 6.715 -6.032 1.00 0.00 N ATOM 344 CA PHE A 27 -9.871 5.521 -6.802 1.00 0.00 C ATOM 345 C PHE A 27 -11.282 5.018 -6.494 1.00 0.00 C ATOM 346 O PHE A 27 -11.719 4.009 -7.046 1.00 0.00 O ATOM 347 CB PHE A 27 -8.858 4.451 -6.390 1.00 0.00 C ATOM 348 CG PHE A 27 -7.454 4.671 -6.955 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.784 5.823 -6.682 1.00 0.00 C ATOM 350 CD2 PHE A 27 -6.875 3.716 -7.730 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.481 6.028 -7.206 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.571 3.921 -8.255 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.902 5.073 -7.982 1.00 0.00 C ATOM 0 H PHE A 27 -9.287 6.540 -5.066 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.818 5.741 -7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.800 4.421 -5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.221 3.477 -6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.244 6.582 -6.066 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.407 2.801 -7.947 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.949 6.943 -6.988 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.111 3.162 -8.871 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.911 5.230 -8.381 1.00 0.00 H new ATOM 363 N ASN A 28 -11.956 5.743 -5.614 1.00 0.00 N ATOM 364 CA ASN A 28 -13.309 5.382 -5.226 1.00 0.00 C ATOM 365 C ASN A 28 -13.296 3.997 -4.576 1.00 0.00 C ATOM 366 O ASN A 28 -14.200 3.194 -4.801 1.00 0.00 O ATOM 367 CB ASN A 28 -14.234 5.325 -6.443 1.00 0.00 C ATOM 368 CG ASN A 28 -14.837 6.700 -6.738 1.00 0.00 C ATOM 369 OD1 ASN A 28 -14.567 7.682 -6.068 1.00 0.00 O ATOM 370 ND2 ASN A 28 -15.668 6.714 -7.777 1.00 0.00 N ATOM 0 H ASN A 28 -11.590 6.579 -5.158 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.674 6.138 -4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.677 4.974 -7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -15.032 4.605 -6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.123 7.584 -8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -15.850 5.855 -8.296 1.00 0.00 H new ATOM 377 N MET A 29 -12.262 3.761 -3.782 1.00 0.00 N ATOM 378 CA MET A 29 -12.120 2.487 -3.097 1.00 0.00 C ATOM 379 C MET A 29 -11.122 2.593 -1.943 1.00 0.00 C ATOM 380 O MET A 29 -10.343 3.543 -1.876 1.00 0.00 O ATOM 381 CB MET A 29 -11.642 1.425 -4.089 1.00 0.00 C ATOM 382 CG MET A 29 -10.115 1.396 -4.168 1.00 0.00 C ATOM 383 SD MET A 29 -9.589 0.210 -5.394 1.00 0.00 S ATOM 384 CE MET A 29 -9.221 -1.183 -4.339 1.00 0.00 C ATOM 0 H MET A 29 -11.515 4.430 -3.598 1.00 0.00 H new ATOM 0 HA MET A 29 -13.090 2.205 -2.688 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.013 0.446 -3.786 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.057 1.631 -5.076 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.737 2.386 -4.422 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.697 1.136 -3.195 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.141 -1.302 -4.258 1.00 0.00 H new ATOM 0 HE2 MET A 29 -9.643 -1.011 -3.349 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.655 -2.087 -4.766 1.00 0.00 H new ATOM 394 N PRO A 30 -11.180 1.579 -1.038 1.00 0.00 N ATOM 395 CA PRO A 30 -10.290 1.549 0.110 1.00 0.00 C ATOM 396 C PRO A 30 -8.874 1.147 -0.303 1.00 0.00 C ATOM 397 O PRO A 30 -8.680 0.530 -1.350 1.00 0.00 O ATOM 398 CB PRO A 30 -10.929 0.566 1.077 1.00 0.00 C ATOM 399 CG PRO A 30 -11.896 -0.264 0.249 1.00 0.00 C ATOM 400 CD PRO A 30 -12.089 0.438 -1.085 1.00 0.00 C ATOM 0 HA PRO A 30 -10.172 2.527 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.175 -0.066 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.451 1.089 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.503 -1.270 0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.849 -0.369 0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.852 -0.223 -1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.122 0.760 -1.217 1.00 0.00 H new ATOM 408 N LEU A 31 -7.919 1.512 0.540 1.00 0.00 N ATOM 409 CA LEU A 31 -6.525 1.196 0.275 1.00 0.00 C ATOM 410 C LEU A 31 -6.278 -0.285 0.567 1.00 0.00 C ATOM 411 O LEU A 31 -6.357 -0.717 1.716 1.00 0.00 O ATOM 412 CB LEU A 31 -5.605 2.138 1.053 1.00 0.00 C ATOM 413 CG LEU A 31 -5.631 3.607 0.625 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.793 4.528 1.836 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.393 3.959 -0.202 1.00 0.00 C ATOM 0 H LEU A 31 -8.083 2.024 1.407 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.291 1.357 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.871 2.083 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.582 1.772 0.962 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.500 3.761 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.808 5.566 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.728 4.296 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.958 4.379 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.436 5.008 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.496 3.784 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.363 3.335 -1.095 1.00 0.00 H new ATOM 427 N THR A 32 -5.984 -1.023 -0.494 1.00 0.00 N ATOM 428 CA THR A 32 -5.725 -2.447 -0.365 1.00 0.00 C ATOM 429 C THR A 32 -4.344 -2.791 -0.928 1.00 0.00 C ATOM 430 O THR A 32 -3.715 -1.964 -1.586 1.00 0.00 O ATOM 431 CB THR A 32 -6.866 -3.199 -1.054 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.358 -2.275 -2.020 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.057 -3.436 -0.124 1.00 0.00 C ATOM 0 H THR A 32 -5.920 -0.662 -1.446 1.00 0.00 H new ATOM 0 HA THR A 32 -5.700 -2.751 0.681 1.00 0.00 H new ATOM 0 HB THR A 32 -6.498 -4.156 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.717 -2.766 -2.789 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.838 -3.973 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.737 -4.026 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.446 -2.478 0.220 1.00 0.00 H new ATOM 441 N ILE A 33 -3.914 -4.012 -0.648 1.00 0.00 N ATOM 442 CA ILE A 33 -2.619 -4.475 -1.118 1.00 0.00 C ATOM 443 C ILE A 33 -2.726 -4.866 -2.593 1.00 0.00 C ATOM 444 O ILE A 33 -3.232 -5.938 -2.920 1.00 0.00 O ATOM 445 CB ILE A 33 -2.094 -5.598 -0.221 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.990 -5.135 1.234 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.764 -6.142 -0.746 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.911 -4.062 1.392 1.00 0.00 C ATOM 0 H ILE A 33 -4.439 -4.695 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.882 -3.675 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.811 -6.419 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.951 -4.740 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.758 -5.986 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.413 -6.939 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.904 -6.535 -1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.026 -5.340 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.858 -3.750 2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.053 -4.467 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.158 -3.203 0.769 1.00 0.00 H new ATOM 460 N SER A 34 -2.242 -3.974 -3.445 1.00 0.00 N ATOM 461 CA SER A 34 -2.277 -4.212 -4.878 1.00 0.00 C ATOM 462 C SER A 34 -1.721 -5.602 -5.191 1.00 0.00 C ATOM 463 O SER A 34 -2.444 -6.468 -5.683 1.00 0.00 O ATOM 464 CB SER A 34 -1.487 -3.142 -5.634 1.00 0.00 C ATOM 465 OG SER A 34 -1.643 -3.260 -7.045 1.00 0.00 O ATOM 0 H SER A 34 -1.823 -3.085 -3.170 1.00 0.00 H new ATOM 0 HA SER A 34 -3.315 -4.160 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.818 -2.154 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.431 -3.223 -5.378 1.00 0.00 H new ATOM 0 HG SER A 34 -1.125 -2.558 -7.491 1.00 0.00 H new ATOM 471 N SER A 35 -0.441 -5.773 -4.894 1.00 0.00 N ATOM 472 CA SER A 35 0.220 -7.044 -5.138 1.00 0.00 C ATOM 473 C SER A 35 1.257 -7.312 -4.045 1.00 0.00 C ATOM 474 O SER A 35 1.509 -6.455 -3.200 1.00 0.00 O ATOM 475 CB SER A 35 0.884 -7.064 -6.516 1.00 0.00 C ATOM 476 OG SER A 35 0.174 -7.884 -7.439 1.00 0.00 O ATOM 0 H SER A 35 0.156 -5.053 -4.487 1.00 0.00 H new ATOM 0 HA SER A 35 -0.533 -7.831 -5.117 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.943 -6.047 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.907 -7.428 -6.420 1.00 0.00 H new ATOM 0 HG SER A 35 0.629 -7.869 -8.307 1.00 0.00 H new ATOM 482 N LEU A 36 1.831 -8.506 -4.099 1.00 0.00 N ATOM 483 CA LEU A 36 2.835 -8.897 -3.124 1.00 0.00 C ATOM 484 C LEU A 36 4.122 -9.286 -3.853 1.00 0.00 C ATOM 485 O LEU A 36 4.082 -9.718 -5.004 1.00 0.00 O ATOM 486 CB LEU A 36 2.292 -9.995 -2.207 1.00 0.00 C ATOM 487 CG LEU A 36 2.191 -9.640 -0.722 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.525 -9.872 -0.011 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.682 -8.210 -0.534 1.00 0.00 C ATOM 0 H LEU A 36 1.620 -9.214 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 36 3.079 -8.059 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.301 -10.279 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.930 -10.873 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 36 1.461 -10.305 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.426 -9.612 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.808 -10.921 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.294 -9.249 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.619 -7.983 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.369 -7.513 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.694 -8.113 -0.984 1.00 0.00 H new ATOM 501 N LYS A 37 5.235 -9.119 -3.152 1.00 0.00 N ATOM 502 CA LYS A 37 6.532 -9.447 -3.718 1.00 0.00 C ATOM 503 C LYS A 37 6.931 -10.859 -3.284 1.00 0.00 C ATOM 504 O LYS A 37 6.797 -11.213 -2.114 1.00 0.00 O ATOM 505 CB LYS A 37 7.562 -8.377 -3.352 1.00 0.00 C ATOM 506 CG LYS A 37 8.943 -8.731 -3.909 1.00 0.00 C ATOM 507 CD LYS A 37 9.698 -7.474 -4.345 1.00 0.00 C ATOM 508 CE LYS A 37 11.155 -7.521 -3.880 1.00 0.00 C ATOM 509 NZ LYS A 37 11.819 -6.221 -4.125 1.00 0.00 N ATOM 0 H LYS A 37 5.264 -8.761 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 37 6.483 -9.450 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.244 -7.411 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.618 -8.277 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.520 -9.261 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.834 -9.407 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.662 -7.382 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.209 -6.591 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.196 -7.763 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.686 -8.313 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.807 -6.270 -3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.796 -6.006 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.321 -5.473 -3.601 1.00 0.00 H new ATOM 523 N ASP A 38 7.413 -11.626 -4.250 1.00 0.00 N ATOM 524 CA ASP A 38 7.833 -12.992 -3.983 1.00 0.00 C ATOM 525 C ASP A 38 8.783 -13.003 -2.784 1.00 0.00 C ATOM 526 O ASP A 38 9.780 -12.283 -2.771 1.00 0.00 O ATOM 527 CB ASP A 38 8.577 -13.584 -5.181 1.00 0.00 C ATOM 528 CG ASP A 38 8.150 -15.001 -5.571 1.00 0.00 C ATOM 529 OD1 ASP A 38 6.923 -15.239 -5.588 1.00 0.00 O ATOM 530 OD2 ASP A 38 9.060 -15.813 -5.843 1.00 0.00 O ATOM 0 H ASP A 38 7.522 -11.328 -5.219 1.00 0.00 H new ATOM 0 HA ASP A 38 6.941 -13.586 -3.783 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.433 -12.928 -6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.644 -13.590 -4.960 1.00 0.00 H new ATOM 535 N GLY A 39 8.440 -13.828 -1.805 1.00 0.00 N ATOM 536 CA GLY A 39 9.251 -13.942 -0.604 1.00 0.00 C ATOM 537 C GLY A 39 9.731 -12.568 -0.134 1.00 0.00 C ATOM 538 O GLY A 39 10.927 -12.357 0.061 1.00 0.00 O ATOM 0 H GLY A 39 7.612 -14.424 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.671 -14.419 0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.110 -14.584 -0.801 1.00 0.00 H new ATOM 542 N GLY A 40 8.773 -11.668 0.035 1.00 0.00 N ATOM 543 CA GLY A 40 9.083 -10.319 0.479 1.00 0.00 C ATOM 544 C GLY A 40 8.800 -10.156 1.973 1.00 0.00 C ATOM 545 O GLY A 40 8.477 -11.126 2.658 1.00 0.00 O ATOM 0 H GLY A 40 7.782 -11.846 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.131 -10.098 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.491 -9.601 -0.088 1.00 0.00 H new ATOM 549 N LYS A 41 8.930 -8.921 2.436 1.00 0.00 N ATOM 550 CA LYS A 41 8.692 -8.618 3.837 1.00 0.00 C ATOM 551 C LYS A 41 7.192 -8.704 4.126 1.00 0.00 C ATOM 552 O LYS A 41 6.766 -9.469 4.989 1.00 0.00 O ATOM 553 CB LYS A 41 9.313 -7.269 4.206 1.00 0.00 C ATOM 554 CG LYS A 41 10.838 -7.368 4.279 1.00 0.00 C ATOM 555 CD LYS A 41 11.365 -6.764 5.582 1.00 0.00 C ATOM 556 CE LYS A 41 12.027 -7.833 6.453 1.00 0.00 C ATOM 557 NZ LYS A 41 11.490 -7.784 7.832 1.00 0.00 N ATOM 0 H LYS A 41 9.197 -8.119 1.866 1.00 0.00 H new ATOM 0 HA LYS A 41 9.182 -9.354 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.029 -6.520 3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.920 -6.935 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.142 -8.412 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.281 -6.850 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.084 -5.976 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.545 -6.300 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.853 -8.820 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.106 -7.679 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.950 -8.516 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.678 -6.848 8.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.464 -7.953 7.811 1.00 0.00 H new ATOM 571 N ALA A 42 6.433 -7.910 3.386 1.00 0.00 N ATOM 572 CA ALA A 42 4.990 -7.887 3.552 1.00 0.00 C ATOM 573 C ALA A 42 4.484 -9.313 3.776 1.00 0.00 C ATOM 574 O ALA A 42 3.963 -9.630 4.844 1.00 0.00 O ATOM 575 CB ALA A 42 4.346 -7.225 2.331 1.00 0.00 C ATOM 0 H ALA A 42 6.790 -7.278 2.670 1.00 0.00 H new ATOM 0 HA ALA A 42 4.714 -7.298 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.263 -7.208 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.716 -6.205 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.599 -7.791 1.434 1.00 0.00 H new ATOM 581 N SER A 43 4.656 -10.136 2.752 1.00 0.00 N ATOM 582 CA SER A 43 4.223 -11.521 2.823 1.00 0.00 C ATOM 583 C SER A 43 4.695 -12.149 4.136 1.00 0.00 C ATOM 584 O SER A 43 3.922 -12.813 4.824 1.00 0.00 O ATOM 585 CB SER A 43 4.747 -12.325 1.632 1.00 0.00 C ATOM 586 OG SER A 43 5.007 -13.683 1.976 1.00 0.00 O ATOM 0 H SER A 43 5.090 -9.870 1.868 1.00 0.00 H new ATOM 0 HA SER A 43 3.134 -11.541 2.788 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.018 -12.290 0.822 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.661 -11.864 1.258 1.00 0.00 H new ATOM 0 HG SER A 43 5.338 -14.162 1.188 1.00 0.00 H new ATOM 592 N GLN A 44 5.963 -11.918 4.444 1.00 0.00 N ATOM 593 CA GLN A 44 6.548 -12.453 5.661 1.00 0.00 C ATOM 594 C GLN A 44 5.796 -11.928 6.886 1.00 0.00 C ATOM 595 O GLN A 44 5.799 -12.562 7.940 1.00 0.00 O ATOM 596 CB GLN A 44 8.038 -12.117 5.748 1.00 0.00 C ATOM 597 CG GLN A 44 8.889 -13.252 5.175 1.00 0.00 C ATOM 598 CD GLN A 44 10.350 -13.114 5.609 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.775 -13.638 6.625 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.092 -12.381 4.783 1.00 0.00 N ATOM 0 H GLN A 44 6.602 -11.367 3.871 1.00 0.00 H new ATOM 0 HA GLN A 44 6.455 -13.539 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.239 -11.195 5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.314 -11.939 6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.495 -14.212 5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.827 -13.244 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.672 -11.971 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.080 -12.229 4.984 1.00 0.00 H new ATOM 609 N ALA A 45 5.169 -10.774 6.707 1.00 0.00 N ATOM 610 CA ALA A 45 4.415 -10.156 7.784 1.00 0.00 C ATOM 611 C ALA A 45 2.991 -10.716 7.789 1.00 0.00 C ATOM 612 O ALA A 45 2.128 -10.220 8.512 1.00 0.00 O ATOM 613 CB ALA A 45 4.443 -8.636 7.621 1.00 0.00 C ATOM 0 H ALA A 45 5.168 -10.251 5.831 1.00 0.00 H new ATOM 0 HA ALA A 45 4.865 -10.388 8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.877 -8.173 8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.475 -8.286 7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.997 -8.364 6.664 1.00 0.00 H new ATOM 619 N HIS A 46 2.789 -11.741 6.975 1.00 0.00 N ATOM 620 CA HIS A 46 1.484 -12.374 6.877 1.00 0.00 C ATOM 621 C HIS A 46 0.478 -11.385 6.285 1.00 0.00 C ATOM 622 O HIS A 46 -0.639 -11.257 6.784 1.00 0.00 O ATOM 623 CB HIS A 46 1.045 -12.926 8.234 1.00 0.00 C ATOM 624 CG HIS A 46 1.655 -14.264 8.579 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.924 -15.438 8.601 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.934 -14.600 8.915 1.00 0.00 C ATOM 627 CE1 HIS A 46 1.735 -16.430 8.937 1.00 0.00 C ATOM 628 NE2 HIS A 46 2.980 -15.908 9.132 1.00 0.00 N ATOM 0 H HIS A 46 3.507 -12.150 6.377 1.00 0.00 H new ATOM 0 HA HIS A 46 1.540 -13.229 6.203 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.309 -12.207 9.010 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.041 -13.020 8.242 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.767 -13.917 8.991 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.459 -17.469 9.039 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.810 -16.436 9.401 1.00 0.00 H new ATOM 636 N VAL A 47 0.910 -10.710 5.229 1.00 0.00 N ATOM 637 CA VAL A 47 0.061 -9.737 4.564 1.00 0.00 C ATOM 638 C VAL A 47 -0.438 -10.321 3.241 1.00 0.00 C ATOM 639 O VAL A 47 0.331 -10.459 2.291 1.00 0.00 O ATOM 640 CB VAL A 47 0.815 -8.417 4.389 1.00 0.00 C ATOM 641 CG1 VAL A 47 -0.014 -7.414 3.585 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.220 -7.833 5.744 1.00 0.00 C ATOM 0 H VAL A 47 1.837 -10.818 4.818 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.816 -9.516 5.173 1.00 0.00 H new ATOM 0 HB VAL A 47 1.726 -8.624 3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.545 -6.485 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.229 -7.827 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.950 -7.215 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.754 -6.895 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.328 -7.649 6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.867 -8.538 6.265 1.00 0.00 H new ATOM 652 N ARG A 48 -1.721 -10.648 3.222 1.00 0.00 N ATOM 653 CA ARG A 48 -2.332 -11.214 2.030 1.00 0.00 C ATOM 654 C ARG A 48 -2.997 -10.114 1.201 1.00 0.00 C ATOM 655 O ARG A 48 -3.333 -9.053 1.726 1.00 0.00 O ATOM 656 CB ARG A 48 -3.376 -12.270 2.395 1.00 0.00 C ATOM 657 CG ARG A 48 -2.725 -13.470 3.085 1.00 0.00 C ATOM 658 CD ARG A 48 -2.499 -13.192 4.573 1.00 0.00 C ATOM 659 NE ARG A 48 -3.773 -12.795 5.212 1.00 0.00 N ATOM 660 CZ ARG A 48 -3.887 -12.425 6.495 1.00 0.00 C ATOM 661 NH1 ARG A 48 -2.803 -12.398 7.283 1.00 0.00 N ATOM 662 NH2 ARG A 48 -5.084 -12.081 6.990 1.00 0.00 N ATOM 0 H ARG A 48 -2.355 -10.532 4.012 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.543 -11.687 1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.127 -11.832 3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.894 -12.601 1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.359 -14.349 2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.773 -13.697 2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.099 -14.081 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.759 -12.401 4.696 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.618 -12.803 4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.892 -12.659 6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.889 -12.116 8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.909 -12.101 6.390 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.170 -11.799 7.967 1.00 0.00 H new ATOM 676 N ILE A 49 -3.167 -10.404 -0.080 1.00 0.00 N ATOM 677 CA ILE A 49 -3.787 -9.452 -0.987 1.00 0.00 C ATOM 678 C ILE A 49 -5.223 -9.183 -0.534 1.00 0.00 C ATOM 679 O ILE A 49 -5.958 -10.112 -0.203 1.00 0.00 O ATOM 680 CB ILE A 49 -3.679 -9.942 -2.433 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.279 -9.690 -2.995 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.769 -9.316 -3.306 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.296 -9.677 -4.524 1.00 0.00 C ATOM 0 H ILE A 49 -2.886 -11.284 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.260 -8.498 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.839 -11.020 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.900 -8.738 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.597 -10.463 -2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.670 -9.680 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.749 -9.590 -2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.665 -8.231 -3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.288 -9.496 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.652 -10.639 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.960 -8.887 -4.874 1.00 0.00 H new ATOM 695 N GLY A 50 -5.580 -7.907 -0.534 1.00 0.00 N ATOM 696 CA GLY A 50 -6.916 -7.504 -0.127 1.00 0.00 C ATOM 697 C GLY A 50 -6.889 -6.822 1.242 1.00 0.00 C ATOM 698 O GLY A 50 -7.880 -6.228 1.663 1.00 0.00 O ATOM 0 H GLY A 50 -4.968 -7.139 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.336 -6.824 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.568 -8.377 -0.090 1.00 0.00 H new ATOM 702 N ASP A 51 -5.744 -6.931 1.900 1.00 0.00 N ATOM 703 CA ASP A 51 -5.575 -6.333 3.213 1.00 0.00 C ATOM 704 C ASP A 51 -5.811 -4.824 3.115 1.00 0.00 C ATOM 705 O ASP A 51 -5.224 -4.154 2.267 1.00 0.00 O ATOM 706 CB ASP A 51 -4.157 -6.556 3.742 1.00 0.00 C ATOM 707 CG ASP A 51 -3.853 -7.985 4.195 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.714 -8.856 3.941 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.768 -8.175 4.784 1.00 0.00 O ATOM 0 H ASP A 51 -4.924 -7.425 1.548 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.290 -6.800 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.447 -6.279 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.988 -5.881 4.581 1.00 0.00 H new ATOM 714 N VAL A 52 -6.672 -4.334 3.995 1.00 0.00 N ATOM 715 CA VAL A 52 -6.993 -2.917 4.019 1.00 0.00 C ATOM 716 C VAL A 52 -6.098 -2.213 5.041 1.00 0.00 C ATOM 717 O VAL A 52 -5.866 -2.733 6.131 1.00 0.00 O ATOM 718 CB VAL A 52 -8.485 -2.723 4.297 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.825 -1.240 4.455 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.335 -3.367 3.200 1.00 0.00 C ATOM 0 H VAL A 52 -7.157 -4.893 4.697 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.796 -2.464 3.047 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.718 -3.222 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.891 -1.130 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.258 -0.823 5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.569 -0.708 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.391 -3.215 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.096 -2.910 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.124 -4.435 3.156 1.00 0.00 H new ATOM 730 N VAL A 53 -5.619 -1.040 4.652 1.00 0.00 N ATOM 731 CA VAL A 53 -4.755 -0.259 5.520 1.00 0.00 C ATOM 732 C VAL A 53 -5.609 0.695 6.358 1.00 0.00 C ATOM 733 O VAL A 53 -6.061 1.726 5.864 1.00 0.00 O ATOM 734 CB VAL A 53 -3.693 0.463 4.689 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.676 1.167 5.591 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.997 -0.504 3.729 1.00 0.00 C ATOM 0 H VAL A 53 -5.813 -0.612 3.747 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.220 -0.910 6.212 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.195 1.224 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.932 1.672 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.189 1.899 6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.182 0.431 6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.247 0.035 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.514 -1.298 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.733 -0.939 3.053 1.00 0.00 H new ATOM 746 N LEU A 54 -5.803 0.316 7.613 1.00 0.00 N ATOM 747 CA LEU A 54 -6.594 1.125 8.525 1.00 0.00 C ATOM 748 C LEU A 54 -5.846 2.425 8.827 1.00 0.00 C ATOM 749 O LEU A 54 -6.448 3.496 8.873 1.00 0.00 O ATOM 750 CB LEU A 54 -6.961 0.321 9.774 1.00 0.00 C ATOM 751 CG LEU A 54 -7.851 -0.902 9.547 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.741 -1.884 10.715 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.299 -0.485 9.282 1.00 0.00 C ATOM 0 H LEU A 54 -5.426 -0.540 8.020 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.542 1.403 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.039 -0.009 10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.464 0.987 10.475 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.498 -1.421 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.384 -2.745 10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.708 -2.217 10.814 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.053 -1.391 11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.910 -1.373 9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.680 0.070 10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.339 0.146 8.394 1.00 0.00 H new ATOM 765 N SER A 55 -4.543 2.287 9.026 1.00 0.00 N ATOM 766 CA SER A 55 -3.706 3.437 9.323 1.00 0.00 C ATOM 767 C SER A 55 -2.366 3.311 8.596 1.00 0.00 C ATOM 768 O SER A 55 -2.043 2.251 8.061 1.00 0.00 O ATOM 769 CB SER A 55 -3.481 3.581 10.830 1.00 0.00 C ATOM 770 OG SER A 55 -3.395 2.315 11.479 1.00 0.00 O ATOM 0 H SER A 55 -4.047 1.397 8.987 1.00 0.00 H new ATOM 0 HA SER A 55 -4.219 4.332 8.973 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.564 4.143 11.008 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.297 4.157 11.265 1.00 0.00 H new ATOM 0 HG SER A 55 -2.600 1.838 11.161 1.00 0.00 H new ATOM 776 N ILE A 56 -1.620 4.406 8.601 1.00 0.00 N ATOM 777 CA ILE A 56 -0.322 4.431 7.948 1.00 0.00 C ATOM 778 C ILE A 56 0.650 5.261 8.788 1.00 0.00 C ATOM 779 O ILE A 56 0.343 6.392 9.163 1.00 0.00 O ATOM 780 CB ILE A 56 -0.457 4.917 6.504 1.00 0.00 C ATOM 781 CG1 ILE A 56 -1.041 3.822 5.609 1.00 0.00 C ATOM 782 CG2 ILE A 56 0.880 5.438 5.974 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.234 4.327 4.178 1.00 0.00 C ATOM 0 H ILE A 56 -1.890 5.283 9.047 1.00 0.00 H new ATOM 0 HA ILE A 56 0.091 3.424 7.883 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.157 5.752 6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.377 2.957 5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.997 3.489 6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.756 5.777 4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.217 6.270 6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.620 4.639 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.650 3.529 3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.917 5.176 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.272 4.636 3.768 1.00 0.00 H new ATOM 795 N ASP A 57 1.804 4.669 9.059 1.00 0.00 N ATOM 796 CA ASP A 57 2.823 5.340 9.848 1.00 0.00 C ATOM 797 C ASP A 57 2.213 5.804 11.173 1.00 0.00 C ATOM 798 O ASP A 57 2.735 6.714 11.815 1.00 0.00 O ATOM 799 CB ASP A 57 3.361 6.572 9.118 1.00 0.00 C ATOM 800 CG ASP A 57 4.816 6.926 9.435 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.275 6.521 10.524 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.436 7.595 8.580 1.00 0.00 O ATOM 0 H ASP A 57 2.056 3.731 8.746 1.00 0.00 H new ATOM 0 HA ASP A 57 3.638 4.636 10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.268 6.409 8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.732 7.427 9.367 1.00 0.00 H new ATOM 807 N GLY A 58 1.118 5.157 11.542 1.00 0.00 N ATOM 808 CA GLY A 58 0.432 5.491 12.778 1.00 0.00 C ATOM 809 C GLY A 58 -0.576 6.622 12.558 1.00 0.00 C ATOM 810 O GLY A 58 -1.029 7.249 13.513 1.00 0.00 O ATOM 0 H GLY A 58 0.689 4.403 11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.083 4.610 13.162 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.160 5.789 13.533 1.00 0.00 H new ATOM 814 N ILE A 59 -0.896 6.847 11.292 1.00 0.00 N ATOM 815 CA ILE A 59 -1.842 7.890 10.934 1.00 0.00 C ATOM 816 C ILE A 59 -3.090 7.253 10.320 1.00 0.00 C ATOM 817 O ILE A 59 -3.019 6.167 9.746 1.00 0.00 O ATOM 818 CB ILE A 59 -1.175 8.930 10.031 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.112 9.462 10.664 1.00 0.00 C ATOM 820 CG2 ILE A 59 -2.149 10.056 9.679 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.310 10.945 10.341 1.00 0.00 C ATOM 0 H ILE A 59 -0.517 6.325 10.502 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.165 8.432 11.823 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.896 8.442 9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.074 9.323 11.744 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.965 8.890 10.299 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.650 10.781 9.037 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.011 9.641 9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.481 10.549 10.593 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.232 11.298 10.803 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.372 11.077 9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.532 11.518 10.729 1.00 0.00 H new ATOM 833 N SER A 60 -4.205 7.955 10.463 1.00 0.00 N ATOM 834 CA SER A 60 -5.467 7.471 9.930 1.00 0.00 C ATOM 835 C SER A 60 -5.452 7.543 8.402 1.00 0.00 C ATOM 836 O SER A 60 -5.232 8.610 7.829 1.00 0.00 O ATOM 837 CB SER A 60 -6.644 8.274 10.487 1.00 0.00 C ATOM 838 OG SER A 60 -7.498 7.475 11.301 1.00 0.00 O ATOM 0 H SER A 60 -4.260 8.855 10.940 1.00 0.00 H new ATOM 0 HA SER A 60 -5.592 6.433 10.237 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.266 9.113 11.072 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.219 8.694 9.662 1.00 0.00 H new ATOM 0 HG SER A 60 -8.236 8.024 11.639 1.00 0.00 H new ATOM 844 N ALA A 61 -5.688 6.395 7.785 1.00 0.00 N ATOM 845 CA ALA A 61 -5.704 6.314 6.334 1.00 0.00 C ATOM 846 C ALA A 61 -7.140 6.482 5.834 1.00 0.00 C ATOM 847 O ALA A 61 -7.470 6.058 4.728 1.00 0.00 O ATOM 848 CB ALA A 61 -5.083 4.988 5.889 1.00 0.00 C ATOM 0 H ALA A 61 -5.870 5.513 8.263 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.107 7.116 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.095 4.928 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.054 4.931 6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.657 4.160 6.305 1.00 0.00 H new ATOM 854 N GLN A 62 -7.956 7.103 6.674 1.00 0.00 N ATOM 855 CA GLN A 62 -9.350 7.333 6.331 1.00 0.00 C ATOM 856 C GLN A 62 -9.501 8.662 5.589 1.00 0.00 C ATOM 857 O GLN A 62 -9.625 9.715 6.212 1.00 0.00 O ATOM 858 CB GLN A 62 -10.234 7.297 7.579 1.00 0.00 C ATOM 859 CG GLN A 62 -10.361 5.872 8.121 1.00 0.00 C ATOM 860 CD GLN A 62 -11.810 5.555 8.496 1.00 0.00 C ATOM 861 OE1 GLN A 62 -12.727 5.688 7.703 1.00 0.00 O ATOM 862 NE2 GLN A 62 -11.964 5.131 9.747 1.00 0.00 N ATOM 0 H GLN A 62 -7.679 7.454 7.591 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.679 6.531 5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.812 7.945 8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.223 7.688 7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.012 5.162 7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.721 5.753 8.995 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.153 5.042 10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.893 4.895 10.095 1.00 0.00 H new ATOM 871 N GLY A 63 -9.487 8.570 4.267 1.00 0.00 N ATOM 872 CA GLY A 63 -9.622 9.752 3.433 1.00 0.00 C ATOM 873 C GLY A 63 -8.422 9.902 2.496 1.00 0.00 C ATOM 874 O GLY A 63 -8.589 10.062 1.288 1.00 0.00 O ATOM 0 H GLY A 63 -9.384 7.695 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.539 9.685 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.709 10.638 4.063 1.00 0.00 H new ATOM 878 N MET A 64 -7.238 9.844 3.089 1.00 0.00 N ATOM 879 CA MET A 64 -6.010 9.972 2.323 1.00 0.00 C ATOM 880 C MET A 64 -6.098 9.187 1.012 1.00 0.00 C ATOM 881 O MET A 64 -6.525 8.034 1.003 1.00 0.00 O ATOM 882 CB MET A 64 -4.834 9.451 3.152 1.00 0.00 C ATOM 883 CG MET A 64 -4.516 10.401 4.308 1.00 0.00 C ATOM 884 SD MET A 64 -2.772 10.344 4.683 1.00 0.00 S ATOM 885 CE MET A 64 -2.675 8.741 5.463 1.00 0.00 C ATOM 0 H MET A 64 -7.103 9.710 4.091 1.00 0.00 H new ATOM 0 HA MET A 64 -5.860 11.025 2.085 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.070 8.462 3.544 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.956 9.340 2.515 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.807 11.418 4.044 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.095 10.122 5.188 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.629 8.458 5.585 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.156 8.782 6.440 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.180 8.002 4.841 1.00 0.00 H new ATOM 895 N THR A 65 -5.687 9.844 -0.063 1.00 0.00 N ATOM 896 CA THR A 65 -5.714 9.222 -1.376 1.00 0.00 C ATOM 897 C THR A 65 -4.504 8.302 -1.555 1.00 0.00 C ATOM 898 O THR A 65 -3.584 8.315 -0.739 1.00 0.00 O ATOM 899 CB THR A 65 -5.792 10.334 -2.424 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.903 11.335 -1.935 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.157 11.025 -2.443 1.00 0.00 C ATOM 0 H THR A 65 -5.334 10.801 -0.051 1.00 0.00 H new ATOM 0 HA THR A 65 -6.589 8.583 -1.493 1.00 0.00 H new ATOM 0 HB THR A 65 -5.581 9.919 -3.410 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.891 12.093 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.159 11.806 -3.204 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.932 10.293 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.354 11.469 -1.467 1.00 0.00 H new ATOM 909 N HIS A 66 -4.545 7.526 -2.628 1.00 0.00 N ATOM 910 CA HIS A 66 -3.464 6.602 -2.925 1.00 0.00 C ATOM 911 C HIS A 66 -2.120 7.313 -2.757 1.00 0.00 C ATOM 912 O HIS A 66 -1.289 6.895 -1.952 1.00 0.00 O ATOM 913 CB HIS A 66 -3.640 5.988 -4.315 1.00 0.00 C ATOM 914 CG HIS A 66 -2.907 4.682 -4.507 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.275 4.345 -5.691 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.712 3.636 -3.655 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.728 3.147 -5.547 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.000 2.709 -4.284 1.00 0.00 N ATOM 0 H HIS A 66 -5.310 7.518 -3.302 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.487 5.772 -2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.702 5.827 -4.498 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.293 6.701 -5.063 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.237 4.921 -6.532 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.075 3.572 -2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.166 2.611 -6.298 1.00 0.00 H new ATOM 926 N LEU A 67 -1.949 8.376 -3.529 1.00 0.00 N ATOM 927 CA LEU A 67 -0.720 9.149 -3.475 1.00 0.00 C ATOM 928 C LEU A 67 -0.361 9.429 -2.015 1.00 0.00 C ATOM 929 O LEU A 67 0.745 9.122 -1.573 1.00 0.00 O ATOM 930 CB LEU A 67 -0.843 10.411 -4.331 1.00 0.00 C ATOM 931 CG LEU A 67 -0.204 11.677 -3.756 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.104 12.311 -2.694 1.00 0.00 C ATOM 933 CD2 LEU A 67 1.199 11.387 -3.220 1.00 0.00 C ATOM 0 H LEU A 67 -2.641 8.720 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 67 0.106 8.581 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.394 10.211 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.901 10.608 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.097 12.403 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.627 13.209 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.063 12.575 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.265 11.601 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.631 12.303 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.139 10.637 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.828 11.015 -4.029 1.00 0.00 H new ATOM 945 N GLU A 68 -1.318 10.009 -1.305 1.00 0.00 N ATOM 946 CA GLU A 68 -1.117 10.334 0.097 1.00 0.00 C ATOM 947 C GLU A 68 -0.524 9.135 0.840 1.00 0.00 C ATOM 948 O GLU A 68 0.555 9.234 1.423 1.00 0.00 O ATOM 949 CB GLU A 68 -2.425 10.789 0.747 1.00 0.00 C ATOM 950 CG GLU A 68 -2.759 12.231 0.357 1.00 0.00 C ATOM 951 CD GLU A 68 -2.965 13.101 1.598 1.00 0.00 C ATOM 952 OE1 GLU A 68 -1.977 13.266 2.345 1.00 0.00 O ATOM 953 OE2 GLU A 68 -4.106 13.582 1.771 1.00 0.00 O ATOM 0 H GLU A 68 -2.234 10.262 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.411 11.162 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.236 10.129 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.343 10.711 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.953 12.643 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.660 12.246 -0.256 1.00 0.00 H new ATOM 960 N ALA A 69 -1.255 8.031 0.796 1.00 0.00 N ATOM 961 CA ALA A 69 -0.814 6.815 1.457 1.00 0.00 C ATOM 962 C ALA A 69 0.611 6.484 1.010 1.00 0.00 C ATOM 963 O ALA A 69 1.441 6.078 1.822 1.00 0.00 O ATOM 964 CB ALA A 69 -1.798 5.683 1.154 1.00 0.00 C ATOM 0 H ALA A 69 -2.150 7.953 0.313 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.797 6.951 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.467 4.771 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.789 5.955 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.840 5.516 0.078 1.00 0.00 H new ATOM 970 N GLN A 70 0.851 6.670 -0.280 1.00 0.00 N ATOM 971 CA GLN A 70 2.161 6.395 -0.844 1.00 0.00 C ATOM 972 C GLN A 70 3.189 7.395 -0.310 1.00 0.00 C ATOM 973 O GLN A 70 4.335 7.034 -0.051 1.00 0.00 O ATOM 974 CB GLN A 70 2.115 6.420 -2.373 1.00 0.00 C ATOM 975 CG GLN A 70 1.185 5.331 -2.911 1.00 0.00 C ATOM 976 CD GLN A 70 1.937 4.379 -3.844 1.00 0.00 C ATOM 977 OE1 GLN A 70 3.077 4.605 -4.217 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.238 3.305 -4.199 1.00 0.00 N ATOM 0 H GLN A 70 0.160 7.008 -0.950 1.00 0.00 H new ATOM 0 HA GLN A 70 2.464 5.394 -0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.773 7.397 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.119 6.276 -2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.758 4.770 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.354 5.790 -3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.288 3.177 -3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.652 2.609 -4.820 1.00 0.00 H new ATOM 987 N ASN A 71 2.741 8.634 -0.162 1.00 0.00 N ATOM 988 CA ASN A 71 3.607 9.688 0.336 1.00 0.00 C ATOM 989 C ASN A 71 4.120 9.307 1.726 1.00 0.00 C ATOM 990 O ASN A 71 5.321 9.370 1.987 1.00 0.00 O ATOM 991 CB ASN A 71 2.849 11.012 0.459 1.00 0.00 C ATOM 992 CG ASN A 71 3.403 12.053 -0.516 1.00 0.00 C ATOM 993 OD1 ASN A 71 2.471 12.820 -1.075 1.00 0.00 O flip ATOM 994 ND2 ASN A 71 4.597 12.153 -0.746 1.00 0.00 N flip ATOM 0 H ASN A 71 1.789 8.931 -0.379 1.00 0.00 H new ATOM 0 HA ASN A 71 4.431 9.808 -0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.790 10.849 0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.927 11.387 1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.260 11.532 -0.282 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.933 12.858 -1.402 1.00 0.00 H new ATOM 1001 N LYS A 72 3.185 8.919 2.581 1.00 0.00 N ATOM 1002 CA LYS A 72 3.528 8.527 3.938 1.00 0.00 C ATOM 1003 C LYS A 72 4.524 7.367 3.893 1.00 0.00 C ATOM 1004 O LYS A 72 5.586 7.431 4.509 1.00 0.00 O ATOM 1005 CB LYS A 72 2.264 8.222 4.743 1.00 0.00 C ATOM 1006 CG LYS A 72 1.515 9.509 5.097 1.00 0.00 C ATOM 1007 CD LYS A 72 2.219 10.258 6.230 1.00 0.00 C ATOM 1008 CE LYS A 72 1.972 9.576 7.576 1.00 0.00 C ATOM 1009 NZ LYS A 72 2.830 10.170 8.625 1.00 0.00 N ATOM 0 H LYS A 72 2.190 8.868 2.361 1.00 0.00 H new ATOM 0 HA LYS A 72 4.019 9.349 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.612 7.564 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.530 7.689 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.450 10.150 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.494 9.270 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.290 10.301 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.860 11.287 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.923 9.679 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.177 8.509 7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.776 9.590 9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.814 10.203 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.503 11.135 8.836 1.00 0.00 H new ATOM 1023 N ILE A 73 4.145 6.332 3.157 1.00 0.00 N ATOM 1024 CA ILE A 73 4.991 5.158 3.023 1.00 0.00 C ATOM 1025 C ILE A 73 6.367 5.584 2.507 1.00 0.00 C ATOM 1026 O ILE A 73 7.384 5.014 2.899 1.00 0.00 O ATOM 1027 CB ILE A 73 4.308 4.101 2.154 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.021 3.598 2.811 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.269 2.957 1.825 1.00 0.00 C ATOM 1030 CD1 ILE A 73 1.918 3.391 1.771 1.00 0.00 C ATOM 0 H ILE A 73 3.263 6.282 2.647 1.00 0.00 H new ATOM 0 HA ILE A 73 5.145 4.686 3.994 1.00 0.00 H new ATOM 0 HB ILE A 73 4.026 4.566 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.216 2.660 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.688 4.315 3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.758 2.219 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.131 3.350 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.604 2.486 2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.015 3.033 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.708 4.336 1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.245 2.656 1.036 1.00 0.00 H new ATOM 1042 N LYS A 74 6.354 6.581 1.635 1.00 0.00 N ATOM 1043 CA LYS A 74 7.589 7.089 1.061 1.00 0.00 C ATOM 1044 C LYS A 74 8.439 7.719 2.166 1.00 0.00 C ATOM 1045 O LYS A 74 9.637 7.456 2.258 1.00 0.00 O ATOM 1046 CB LYS A 74 7.289 8.038 -0.101 1.00 0.00 C ATOM 1047 CG LYS A 74 7.263 7.285 -1.432 1.00 0.00 C ATOM 1048 CD LYS A 74 6.374 8.002 -2.451 1.00 0.00 C ATOM 1049 CE LYS A 74 7.170 9.051 -3.230 1.00 0.00 C ATOM 1050 NZ LYS A 74 6.935 10.401 -2.670 1.00 0.00 N ATOM 0 H LYS A 74 5.508 7.051 1.312 1.00 0.00 H new ATOM 0 HA LYS A 74 8.174 6.274 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.329 8.527 0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.044 8.823 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.276 7.199 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.895 6.271 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.949 7.275 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.539 8.480 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.233 8.814 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.879 9.031 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.483 11.101 -3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.923 10.631 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.235 10.421 -1.674 1.00 0.00 H new ATOM 1064 N ALA A 75 7.786 8.538 2.976 1.00 0.00 N ATOM 1065 CA ALA A 75 8.466 9.208 4.072 1.00 0.00 C ATOM 1066 C ALA A 75 9.141 8.162 4.962 1.00 0.00 C ATOM 1067 O ALA A 75 10.214 8.409 5.511 1.00 0.00 O ATOM 1068 CB ALA A 75 7.467 10.072 4.842 1.00 0.00 C ATOM 0 H ALA A 75 6.792 8.753 2.896 1.00 0.00 H new ATOM 0 HA ALA A 75 9.244 9.871 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.978 10.574 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.038 10.817 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.672 9.442 5.240 1.00 0.00 H new ATOM 1074 N CYS A 76 8.484 7.017 5.078 1.00 0.00 N ATOM 1075 CA CYS A 76 9.008 5.934 5.892 1.00 0.00 C ATOM 1076 C CYS A 76 10.381 5.541 5.345 1.00 0.00 C ATOM 1077 O CYS A 76 10.482 4.694 4.459 1.00 0.00 O ATOM 1078 CB CYS A 76 8.048 4.742 5.933 1.00 0.00 C ATOM 1079 SG CYS A 76 6.437 5.260 6.630 1.00 0.00 S ATOM 0 H CYS A 76 7.594 6.816 4.622 1.00 0.00 H new ATOM 0 HA CYS A 76 9.112 6.270 6.924 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.908 4.343 4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.475 3.941 6.537 1.00 0.00 H new ATOM 0 HG CYS A 76 5.913 6.180 5.875 1.00 0.00 H new ATOM 1085 N THR A 77 11.406 6.177 5.896 1.00 0.00 N ATOM 1086 CA THR A 77 12.769 5.905 5.474 1.00 0.00 C ATOM 1087 C THR A 77 13.489 5.047 6.516 1.00 0.00 C ATOM 1088 O THR A 77 14.362 5.535 7.232 1.00 0.00 O ATOM 1089 CB THR A 77 13.458 7.245 5.209 1.00 0.00 C ATOM 1090 OG1 THR A 77 14.765 6.883 4.770 1.00 0.00 O ATOM 1091 CG2 THR A 77 13.704 8.041 6.493 1.00 0.00 C ATOM 0 H THR A 77 11.319 6.879 6.631 1.00 0.00 H new ATOM 0 HA THR A 77 12.789 5.325 4.552 1.00 0.00 H new ATOM 0 HB THR A 77 12.849 7.837 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.280 7.693 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.195 8.983 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.752 8.244 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.341 7.463 7.163 1.00 0.00 H new ATOM 1099 N GLY A 78 13.095 3.783 6.570 1.00 0.00 N ATOM 1100 CA GLY A 78 13.692 2.852 7.513 1.00 0.00 C ATOM 1101 C GLY A 78 12.752 1.679 7.794 1.00 0.00 C ATOM 1102 O GLY A 78 13.076 0.532 7.489 1.00 0.00 O ATOM 0 H GLY A 78 12.369 3.382 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.635 2.479 7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.922 3.369 8.444 1.00 0.00 H new ATOM 1106 N SER A 79 11.606 2.005 8.373 1.00 0.00 N ATOM 1107 CA SER A 79 10.617 0.992 8.699 1.00 0.00 C ATOM 1108 C SER A 79 9.213 1.509 8.378 1.00 0.00 C ATOM 1109 O SER A 79 9.000 2.716 8.280 1.00 0.00 O ATOM 1110 CB SER A 79 10.709 0.585 10.171 1.00 0.00 C ATOM 1111 OG SER A 79 11.049 1.687 11.009 1.00 0.00 O ATOM 0 H SER A 79 11.340 2.957 8.625 1.00 0.00 H new ATOM 0 HA SER A 79 10.820 0.109 8.093 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.755 0.166 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.456 -0.201 10.284 1.00 0.00 H new ATOM 0 HG SER A 79 11.096 1.387 11.941 1.00 0.00 H new ATOM 1117 N LEU A 80 8.292 0.569 8.224 1.00 0.00 N ATOM 1118 CA LEU A 80 6.915 0.915 7.917 1.00 0.00 C ATOM 1119 C LEU A 80 6.005 0.414 9.040 1.00 0.00 C ATOM 1120 O LEU A 80 6.099 -0.741 9.452 1.00 0.00 O ATOM 1121 CB LEU A 80 6.527 0.391 6.532 1.00 0.00 C ATOM 1122 CG LEU A 80 5.305 1.046 5.885 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.507 2.555 5.734 1.00 0.00 C ATOM 1124 CD2 LEU A 80 4.967 0.377 4.551 1.00 0.00 C ATOM 0 H LEU A 80 8.473 -0.432 8.306 1.00 0.00 H new ATOM 0 HA LEU A 80 6.796 1.997 7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.379 0.520 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.342 -0.680 6.610 1.00 0.00 H new ATOM 0 HG LEU A 80 4.450 0.900 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.624 2.996 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.663 3.001 6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.378 2.745 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.095 0.861 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.814 0.471 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.751 -0.678 4.718 1.00 0.00 H new ATOM 1136 N ASN A 81 5.144 1.309 9.504 1.00 0.00 N ATOM 1137 CA ASN A 81 4.218 0.973 10.572 1.00 0.00 C ATOM 1138 C ASN A 81 2.793 1.311 10.130 1.00 0.00 C ATOM 1139 O ASN A 81 2.410 2.479 10.098 1.00 0.00 O ATOM 1140 CB ASN A 81 4.523 1.775 11.839 1.00 0.00 C ATOM 1141 CG ASN A 81 5.170 0.889 12.906 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.558 0.514 13.892 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.438 0.578 12.655 1.00 0.00 N ATOM 0 H ASN A 81 5.069 2.266 9.160 1.00 0.00 H new ATOM 0 HA ASN A 81 4.321 -0.091 10.786 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.188 2.604 11.598 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.602 2.208 12.230 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.958 -0.008 13.308 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.891 0.926 11.810 1.00 0.00 H new ATOM 1150 N MET A 82 2.046 0.267 9.801 1.00 0.00 N ATOM 1151 CA MET A 82 0.672 0.439 9.362 1.00 0.00 C ATOM 1152 C MET A 82 -0.224 -0.670 9.920 1.00 0.00 C ATOM 1153 O MET A 82 0.240 -1.781 10.170 1.00 0.00 O ATOM 1154 CB MET A 82 0.617 0.419 7.834 1.00 0.00 C ATOM 1155 CG MET A 82 1.794 1.190 7.233 1.00 0.00 C ATOM 1156 SD MET A 82 1.718 1.129 5.451 1.00 0.00 S ATOM 1157 CE MET A 82 1.953 -0.621 5.190 1.00 0.00 C ATOM 0 H MET A 82 2.367 -0.701 9.830 1.00 0.00 H new ATOM 0 HA MET A 82 0.309 1.397 9.734 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.634 -0.612 7.479 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.321 0.858 7.494 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.771 2.226 7.571 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.735 0.762 7.580 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.233 -0.800 4.152 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.744 -0.984 5.847 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.026 -1.150 5.412 1.00 0.00 H new ATOM 1167 N THR A 83 -1.492 -0.328 10.098 1.00 0.00 N ATOM 1168 CA THR A 83 -2.457 -1.280 10.621 1.00 0.00 C ATOM 1169 C THR A 83 -3.249 -1.919 9.479 1.00 0.00 C ATOM 1170 O THR A 83 -3.519 -1.272 8.468 1.00 0.00 O ATOM 1171 CB THR A 83 -3.337 -0.551 11.638 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.430 0.296 12.338 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.882 -1.487 12.718 1.00 0.00 C ATOM 0 H THR A 83 -1.873 0.595 9.889 1.00 0.00 H new ATOM 0 HA THR A 83 -1.961 -2.105 11.132 1.00 0.00 H new ATOM 0 HB THR A 83 -4.168 -0.071 11.121 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.893 1.115 12.612 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.500 -0.919 13.414 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.483 -2.268 12.253 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.052 -1.942 13.258 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.600 -3.181 9.677 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.356 -3.914 8.677 1.00 0.00 C ATOM 1183 C LEU A 84 -5.719 -4.299 9.255 1.00 0.00 C ATOM 1184 O LEU A 84 -5.922 -4.244 10.467 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.548 -5.107 8.161 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.160 -4.785 7.602 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.523 -6.024 6.970 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.222 -3.610 6.624 1.00 0.00 C ATOM 0 H LEU A 84 -3.374 -3.715 10.516 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.544 -3.286 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.433 -5.822 8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.126 -5.602 7.381 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.520 -4.481 8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.538 -5.768 6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.424 -6.806 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.153 -6.382 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.223 -3.402 6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.883 -3.862 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.605 -2.728 7.138 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.619 -4.681 8.360 1.00 0.00 N ATOM 1201 CA GLN A 85 -7.957 -5.076 8.766 1.00 0.00 C ATOM 1202 C GLN A 85 -8.205 -6.546 8.423 1.00 0.00 C ATOM 1203 O GLN A 85 -8.007 -6.962 7.282 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.013 -4.176 8.120 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.409 -4.791 8.247 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.457 -3.919 7.554 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -12.020 -3.003 8.132 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.688 -4.252 6.288 1.00 0.00 N ATOM 0 H GLN A 85 -6.448 -4.725 7.355 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.037 -4.958 9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.999 -3.195 8.594 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.773 -4.025 7.068 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.412 -5.788 7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.665 -4.906 9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.182 -5.030 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.371 -3.730 5.740 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.633 -7.292 9.430 1.00 0.00 N ATOM 1218 CA ARG A 86 -8.910 -8.707 9.249 1.00 0.00 C ATOM 1219 C ARG A 86 -10.245 -8.899 8.527 1.00 0.00 C ATOM 1220 O ARG A 86 -11.285 -8.449 9.007 1.00 0.00 O ATOM 1221 CB ARG A 86 -8.955 -9.436 10.593 1.00 0.00 C ATOM 1222 CG ARG A 86 -7.554 -9.863 11.033 1.00 0.00 C ATOM 1223 CD ARG A 86 -6.603 -8.665 11.076 1.00 0.00 C ATOM 1224 NE ARG A 86 -5.251 -9.106 11.485 1.00 0.00 N ATOM 1225 CZ ARG A 86 -4.347 -9.629 10.646 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.645 -9.781 9.349 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.144 -10.002 11.105 1.00 0.00 N ATOM 0 H ARG A 86 -8.795 -6.943 10.375 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.104 -9.128 8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.395 -8.785 11.349 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.598 -10.313 10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.604 -10.327 12.018 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.166 -10.615 10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.559 -8.190 10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.978 -7.918 11.775 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.991 -9.006 12.466 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.561 -9.498 9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.956 -10.179 8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.917 -9.888 12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.456 -10.400 10.466 1.00 0.00 H new ATOM 1241 N ALA A 87 -10.173 -9.567 7.385 1.00 0.00 N ATOM 1242 CA ALA A 87 -11.364 -9.824 6.592 1.00 0.00 C ATOM 1243 C ALA A 87 -11.687 -11.318 6.635 1.00 0.00 C ATOM 1244 O ALA A 87 -11.380 -12.051 5.696 1.00 0.00 O ATOM 1245 CB ALA A 87 -11.147 -9.315 5.166 1.00 0.00 C ATOM 0 H ALA A 87 -9.309 -9.938 6.990 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.221 -9.290 7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.040 -9.508 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.950 -8.243 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.296 -9.831 4.721 1.00 0.00 H new ATOM 1251 N SER A 88 -12.302 -11.727 7.735 1.00 0.00 N ATOM 1252 CA SER A 88 -12.671 -13.121 7.913 1.00 0.00 C ATOM 1253 C SER A 88 -14.148 -13.320 7.569 1.00 0.00 C ATOM 1254 O SER A 88 -14.891 -12.351 7.423 1.00 0.00 O ATOM 1255 CB SER A 88 -12.392 -13.587 9.343 1.00 0.00 C ATOM 1256 OG SER A 88 -13.122 -12.828 10.304 1.00 0.00 O ATOM 0 H SER A 88 -12.554 -11.117 8.512 1.00 0.00 H new ATOM 0 HA SER A 88 -12.063 -13.724 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.654 -14.641 9.439 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.325 -13.504 9.550 1.00 0.00 H new ATOM 0 HG SER A 88 -12.918 -13.157 11.204 1.00 0.00 H new ATOM 1262 N ALA A 89 -14.530 -14.583 7.448 1.00 0.00 N ATOM 1263 CA ALA A 89 -15.905 -14.922 7.124 1.00 0.00 C ATOM 1264 C ALA A 89 -16.243 -14.386 5.731 1.00 0.00 C ATOM 1265 O ALA A 89 -16.892 -13.349 5.602 1.00 0.00 O ATOM 1266 CB ALA A 89 -16.836 -14.366 8.204 1.00 0.00 C ATOM 0 H ALA A 89 -13.911 -15.384 7.569 1.00 0.00 H new ATOM 0 HA ALA A 89 -16.039 -16.004 7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.868 -14.620 7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.573 -14.799 9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.731 -13.282 8.252 1.00 0.00 H new ATOM 1272 N ALA A 90 -15.787 -15.116 4.724 1.00 0.00 N ATOM 1273 CA ALA A 90 -16.032 -14.727 3.346 1.00 0.00 C ATOM 1274 C ALA A 90 -16.452 -15.958 2.540 1.00 0.00 C ATOM 1275 O ALA A 90 -15.778 -16.338 1.584 1.00 0.00 O ATOM 1276 CB ALA A 90 -14.782 -14.055 2.775 1.00 0.00 C ATOM 0 H ALA A 90 -15.249 -15.975 4.835 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.845 -14.003 3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.966 -13.763 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.543 -13.170 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -13.945 -14.752 2.812 1.00 0.00 H new ATOM 1282 N ALA A 91 -17.564 -16.547 2.956 1.00 0.00 N ATOM 1283 CA ALA A 91 -18.082 -17.727 2.285 1.00 0.00 C ATOM 1284 C ALA A 91 -18.430 -17.373 0.838 1.00 0.00 C ATOM 1285 O ALA A 91 -18.460 -16.199 0.472 1.00 0.00 O ATOM 1286 CB ALA A 91 -19.286 -18.268 3.059 1.00 0.00 C ATOM 0 H ALA A 91 -18.120 -16.229 3.749 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.330 -18.516 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -19.674 -19.153 2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -18.979 -18.532 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -20.063 -17.505 3.103 1.00 0.00 H new ATOM 1292 N LYS A 92 -18.686 -18.411 0.054 1.00 0.00 N ATOM 1293 CA LYS A 92 -19.031 -18.225 -1.345 1.00 0.00 C ATOM 1294 C LYS A 92 -20.295 -19.024 -1.665 1.00 0.00 C ATOM 1295 O LYS A 92 -20.593 -20.014 -0.998 1.00 0.00 O ATOM 1296 CB LYS A 92 -17.841 -18.572 -2.242 1.00 0.00 C ATOM 1297 CG LYS A 92 -17.507 -20.063 -2.156 1.00 0.00 C ATOM 1298 CD LYS A 92 -16.344 -20.310 -1.193 1.00 0.00 C ATOM 1299 CE LYS A 92 -15.618 -21.613 -1.533 1.00 0.00 C ATOM 1300 NZ LYS A 92 -14.547 -21.882 -0.548 1.00 0.00 N ATOM 0 H LYS A 92 -18.661 -19.383 0.362 1.00 0.00 H new ATOM 0 HA LYS A 92 -19.256 -17.177 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -18.069 -18.305 -3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.973 -17.983 -1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -18.384 -20.617 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -17.250 -20.439 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -15.644 -19.476 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -16.717 -20.354 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.328 -22.440 -1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -15.192 -21.548 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.064 -22.770 -0.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.861 -21.101 -0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -14.962 -21.965 0.402 1.00 0.00 H new ATOM 1314 N SER A 93 -21.006 -18.565 -2.684 1.00 0.00 N ATOM 1315 CA SER A 93 -22.232 -19.225 -3.100 1.00 0.00 C ATOM 1316 C SER A 93 -22.051 -19.836 -4.491 1.00 0.00 C ATOM 1317 O SER A 93 -22.153 -19.137 -5.498 1.00 0.00 O ATOM 1318 CB SER A 93 -23.410 -18.250 -3.098 1.00 0.00 C ATOM 1319 OG SER A 93 -24.519 -18.753 -2.357 1.00 0.00 O ATOM 0 H SER A 93 -20.756 -17.743 -3.234 1.00 0.00 H new ATOM 0 HA SER A 93 -22.452 -20.019 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.092 -17.298 -2.673 1.00 0.00 H new ATOM 0 HB3 SER A 93 -23.719 -18.053 -4.124 1.00 0.00 H new ATOM 0 HG SER A 93 -25.250 -18.100 -2.378 1.00 0.00 H new ATOM 1325 N GLU A 94 -21.786 -21.134 -4.502 1.00 0.00 N ATOM 1326 CA GLU A 94 -21.590 -21.847 -5.753 1.00 0.00 C ATOM 1327 C GLU A 94 -22.665 -22.922 -5.925 1.00 0.00 C ATOM 1328 O GLU A 94 -23.006 -23.622 -4.973 1.00 0.00 O ATOM 1329 CB GLU A 94 -20.188 -22.457 -5.823 1.00 0.00 C ATOM 1330 CG GLU A 94 -19.450 -21.993 -7.080 1.00 0.00 C ATOM 1331 CD GLU A 94 -18.437 -20.896 -6.747 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -18.896 -19.781 -6.417 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -17.227 -21.197 -6.831 1.00 0.00 O ATOM 0 H GLU A 94 -21.702 -21.711 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 94 -21.682 -21.135 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -19.619 -22.173 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -20.260 -23.545 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -18.938 -22.839 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -20.168 -21.621 -7.811 1.00 0.00 H new ATOM 1340 N PRO A 95 -23.181 -23.023 -7.179 1.00 0.00 N ATOM 1341 CA PRO A 95 -24.210 -24.001 -7.488 1.00 0.00 C ATOM 1342 C PRO A 95 -23.619 -25.409 -7.582 1.00 0.00 C ATOM 1343 O PRO A 95 -22.574 -25.607 -8.201 1.00 0.00 O ATOM 1344 CB PRO A 95 -24.824 -23.526 -8.796 1.00 0.00 C ATOM 1345 CG PRO A 95 -23.814 -22.569 -9.407 1.00 0.00 C ATOM 1346 CD PRO A 95 -22.801 -22.211 -8.332 1.00 0.00 C ATOM 0 HA PRO A 95 -24.969 -24.073 -6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -25.020 -24.365 -9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -25.778 -23.028 -8.622 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -23.318 -23.031 -10.260 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -24.312 -21.672 -9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -21.784 -22.434 -8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -22.834 -21.147 -8.095 1.00 0.00 H new ATOM 1354 N VAL A 96 -24.312 -26.350 -6.958 1.00 0.00 N ATOM 1355 CA VAL A 96 -23.868 -27.733 -6.964 1.00 0.00 C ATOM 1356 C VAL A 96 -24.793 -28.558 -7.862 1.00 0.00 C ATOM 1357 O VAL A 96 -26.011 -28.534 -7.694 1.00 0.00 O ATOM 1358 CB VAL A 96 -23.797 -28.265 -5.531 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -23.463 -29.759 -5.516 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -22.788 -27.470 -4.700 1.00 0.00 C ATOM 0 H VAL A 96 -25.177 -26.182 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 96 -22.862 -27.809 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 96 -24.780 -28.137 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.419 -30.112 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -24.234 -30.310 -6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -22.498 -29.921 -5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -22.757 -27.869 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.800 -27.552 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -23.087 -26.422 -4.669 1.00 0.00 H new ATOM 1370 N SER A 97 -24.178 -29.268 -8.797 1.00 0.00 N ATOM 1371 CA SER A 97 -24.930 -30.098 -9.722 1.00 0.00 C ATOM 1372 C SER A 97 -24.611 -31.574 -9.479 1.00 0.00 C ATOM 1373 O SER A 97 -23.480 -31.920 -9.140 1.00 0.00 O ATOM 1374 CB SER A 97 -24.626 -29.720 -11.173 1.00 0.00 C ATOM 1375 OG SER A 97 -23.254 -29.919 -11.500 1.00 0.00 O ATOM 0 H SER A 97 -23.167 -29.285 -8.933 1.00 0.00 H new ATOM 0 HA SER A 97 -25.993 -29.930 -9.547 1.00 0.00 H new ATOM 0 HB2 SER A 97 -25.248 -30.316 -11.841 1.00 0.00 H new ATOM 0 HB3 SER A 97 -24.890 -28.676 -11.339 1.00 0.00 H new ATOM 0 HG SER A 97 -23.101 -29.668 -12.435 1.00 0.00 H new ATOM 1381 N SER A 98 -25.626 -32.405 -9.663 1.00 0.00 N ATOM 1382 CA SER A 98 -25.467 -33.836 -9.469 1.00 0.00 C ATOM 1383 C SER A 98 -26.778 -34.556 -9.791 1.00 0.00 C ATOM 1384 O SER A 98 -27.796 -34.322 -9.141 1.00 0.00 O ATOM 1385 CB SER A 98 -25.026 -34.151 -8.038 1.00 0.00 C ATOM 1386 OG SER A 98 -25.297 -35.504 -7.682 1.00 0.00 O ATOM 0 H SER A 98 -26.562 -32.114 -9.945 1.00 0.00 H new ATOM 0 HA SER A 98 -24.690 -34.190 -10.147 1.00 0.00 H new ATOM 0 HB2 SER A 98 -23.958 -33.956 -7.936 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.539 -33.484 -7.345 1.00 0.00 H new ATOM 0 HG SER A 98 -25.000 -35.666 -6.762 1.00 0.00 H new ATOM 1392 N GLY A 99 -26.711 -35.419 -10.794 1.00 0.00 N ATOM 1393 CA GLY A 99 -27.880 -36.176 -11.210 1.00 0.00 C ATOM 1394 C GLY A 99 -28.564 -36.832 -10.009 1.00 0.00 C ATOM 1395 O GLY A 99 -28.066 -37.818 -9.468 1.00 0.00 O ATOM 0 H GLY A 99 -25.865 -35.611 -11.331 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -28.583 -35.516 -11.718 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -27.586 -36.941 -11.928 1.00 0.00 H new ATOM 1399 N PRO A 100 -29.726 -36.243 -9.617 1.00 0.00 N ATOM 1400 CA PRO A 100 -30.484 -36.760 -8.491 1.00 0.00 C ATOM 1401 C PRO A 100 -31.223 -38.045 -8.870 1.00 0.00 C ATOM 1402 O PRO A 100 -32.449 -38.055 -8.968 1.00 0.00 O ATOM 1403 CB PRO A 100 -31.421 -35.630 -8.096 1.00 0.00 C ATOM 1404 CG PRO A 100 -31.483 -34.701 -9.297 1.00 0.00 C ATOM 1405 CD PRO A 100 -30.346 -35.074 -10.234 1.00 0.00 C ATOM 0 HA PRO A 100 -29.849 -37.045 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -32.411 -36.012 -7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -31.051 -35.105 -7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -32.443 -34.797 -9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -31.392 -33.662 -8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -30.715 -35.303 -11.234 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -29.633 -34.256 -10.337 1.00 0.00 H new ATOM 1413 N SER A 101 -30.445 -39.099 -9.073 1.00 0.00 N ATOM 1414 CA SER A 101 -31.010 -40.386 -9.439 1.00 0.00 C ATOM 1415 C SER A 101 -30.920 -41.353 -8.257 1.00 0.00 C ATOM 1416 O SER A 101 -29.970 -41.298 -7.477 1.00 0.00 O ATOM 1417 CB SER A 101 -30.299 -40.973 -10.660 1.00 0.00 C ATOM 1418 OG SER A 101 -28.916 -41.210 -10.409 1.00 0.00 O ATOM 0 H SER A 101 -29.428 -39.087 -8.991 1.00 0.00 H new ATOM 0 HA SER A 101 -32.058 -40.237 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 101 -30.781 -41.908 -10.946 1.00 0.00 H new ATOM 0 HB3 SER A 101 -30.403 -40.290 -11.503 1.00 0.00 H new ATOM 0 HG SER A 101 -28.498 -41.586 -11.211 1.00 0.00 H new ATOM 1424 N SER A 102 -31.921 -42.215 -8.161 1.00 0.00 N ATOM 1425 CA SER A 102 -31.966 -43.193 -7.087 1.00 0.00 C ATOM 1426 C SER A 102 -31.963 -44.608 -7.667 1.00 0.00 C ATOM 1427 O SER A 102 -32.866 -44.979 -8.415 1.00 0.00 O ATOM 1428 CB SER A 102 -33.198 -42.984 -6.203 1.00 0.00 C ATOM 1429 OG SER A 102 -32.906 -42.187 -5.059 1.00 0.00 O ATOM 0 H SER A 102 -32.707 -42.257 -8.809 1.00 0.00 H new ATOM 0 HA SER A 102 -31.080 -43.060 -6.466 1.00 0.00 H new ATOM 0 HB2 SER A 102 -33.985 -42.506 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 102 -33.582 -43.952 -5.882 1.00 0.00 H new ATOM 0 HG SER A 102 -33.718 -42.076 -4.522 1.00 0.00 H new ATOM 1435 N GLY A 103 -30.936 -45.361 -7.300 1.00 0.00 N ATOM 1436 CA GLY A 103 -30.804 -46.728 -7.774 1.00 0.00 C ATOM 1437 C GLY A 103 -31.613 -47.692 -6.904 1.00 0.00 C ATOM 1438 O GLY A 103 -31.741 -47.487 -5.698 1.00 0.00 O ATOM 0 H GLY A 103 -30.188 -45.050 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -31.145 -46.793 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -29.754 -47.019 -7.766 1.00 0.00 H new TER 1442 GLY A 103