USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 543 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 56 TYR OH : rot 28:sc= 0.636 USER MOD Set 1.2: A 69 THR OG1 : rot 116:sc= 1.43 USER MOD Set 2.1: A 45 SER OG : rot -49:sc= 0.908 USER MOD Set 2.2: A 47 ASN : amide:sc= -2.31! C(o=-1.4!,f=-1.4!) USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0.00895 USER MOD Set 3.2: A 14 THR OG1 : rot -77:sc= -0.033 USER MOD Set 4.1: A 1 ASN N :NH3+ -178:sc= 0 (180deg=-0.00611) USER MOD Set 4.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -0.029 K(o=-0.029,f=-1.8!) USER MOD Single : A 4 LYS NZ :NH3+ 141:sc= 0.0272 (180deg=-0.138) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc=-0.00222 (180deg=-0.252) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0452 (180deg=-0.462) USER MOD Single : A 23 SER OG : rot 93:sc= 0.886 USER MOD Single : A 24 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.57) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0138 X(o=-0.014,f=0.46) USER MOD Single : A 33 THR OG1 : rot -30:sc= 0.157 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0762 F(o=-0.59,f=-0.076) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -92:sc= 1.15 USER MOD Single : A 40 SER OG : rot -111:sc= 0.154 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 80:sc= 0.392 USER MOD Single : A 49 SER OG : rot -173:sc= -0.555 USER MOD Single : A 50 GLN : amide:sc= -1.4! C(o=-1.4!,f=-8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.797 F(o=-2.4,f=-0.8) USER MOD Single : A 55 SER OG : rot 83:sc= 0.132 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0513 (180deg=-0.541) USER MOD Single : A 59 TYR OH : rot 50:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.79 X(o=-1.8,f=-1.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 55:sc= 0.76! USER MOD Single : A 68 GLN : amide:sc= -7.51! C(o=-7.5!,f=-12!) USER MOD Single : A 72 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -23.032 2.576 -5.813 1.00 0.00 N ATOM 2 CA ASN A 1 -22.297 1.806 -6.856 1.00 0.00 C ATOM 3 C ASN A 1 -21.330 2.735 -7.585 1.00 0.00 C ATOM 4 O ASN A 1 -21.748 3.586 -8.372 1.00 0.00 O ATOM 5 CB ASN A 1 -23.299 1.214 -7.851 1.00 0.00 C ATOM 6 CG ASN A 1 -24.087 0.082 -7.196 1.00 0.00 C ATOM 7 OD1 ASN A 1 -23.648 -0.480 -6.193 1.00 0.00 O ATOM 8 ND2 ASN A 1 -25.229 -0.289 -7.711 1.00 0.00 N ATOM 0 H1 ASN A 1 -23.667 1.937 -5.293 1.00 0.00 H new ATOM 0 H2 ASN A 1 -22.351 3.002 -5.152 1.00 0.00 H new ATOM 0 H3 ASN A 1 -23.592 3.327 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 1 -21.735 0.998 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -23.982 1.990 -8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -22.773 0.840 -8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -25.760 -1.047 -7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -25.590 0.179 -8.542 1.00 0.00 H new ATOM 17 N LEU A 2 -20.038 2.567 -7.320 1.00 0.00 N ATOM 18 CA LEU A 2 -19.022 3.397 -7.961 1.00 0.00 C ATOM 19 C LEU A 2 -19.266 4.874 -7.663 1.00 0.00 C ATOM 20 O LEU A 2 -19.253 5.708 -8.567 1.00 0.00 O ATOM 21 CB LEU A 2 -19.041 3.173 -9.477 1.00 0.00 C ATOM 22 CG LEU A 2 -18.811 1.690 -9.787 1.00 0.00 C ATOM 23 CD1 LEU A 2 -18.897 1.471 -11.300 1.00 0.00 C ATOM 24 CD2 LEU A 2 -17.423 1.269 -9.296 1.00 0.00 C ATOM 0 H LEU A 2 -19.671 1.870 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 2 -18.048 3.113 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -19.997 3.496 -9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -18.268 3.777 -9.953 1.00 0.00 H new ATOM 0 HG LEU A 2 -19.571 1.093 -9.282 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -18.734 0.417 -11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -19.883 1.769 -11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -18.135 2.070 -11.798 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -17.263 0.214 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -16.662 1.865 -9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -17.354 1.428 -8.220 1.00 0.00 H new ATOM 36 N THR A 3 -19.493 5.189 -6.391 1.00 0.00 N ATOM 37 CA THR A 3 -19.745 6.569 -5.989 1.00 0.00 C ATOM 38 C THR A 3 -18.644 7.080 -5.063 1.00 0.00 C ATOM 39 O THR A 3 -18.304 6.435 -4.071 1.00 0.00 O ATOM 40 CB THR A 3 -21.095 6.663 -5.274 1.00 0.00 C ATOM 41 OG1 THR A 3 -22.126 6.240 -6.155 1.00 0.00 O ATOM 42 CG2 THR A 3 -21.347 8.110 -4.846 1.00 0.00 C ATOM 0 H THR A 3 -19.508 4.514 -5.627 1.00 0.00 H new ATOM 0 HA THR A 3 -19.758 7.187 -6.887 1.00 0.00 H new ATOM 0 HB THR A 3 -21.086 6.022 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 3 -22.991 6.298 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.308 8.177 -4.337 1.00 0.00 H new ATOM 0 HG22 THR A 3 -20.555 8.433 -4.170 1.00 0.00 H new ATOM 0 HG23 THR A 3 -21.357 8.753 -5.726 1.00 0.00 H new ATOM 50 N LYS A 4 -18.094 8.244 -5.396 1.00 0.00 N ATOM 51 CA LYS A 4 -17.034 8.843 -4.589 1.00 0.00 C ATOM 52 C LYS A 4 -17.398 10.275 -4.214 1.00 0.00 C ATOM 53 O LYS A 4 -18.048 10.980 -4.986 1.00 0.00 O ATOM 54 CB LYS A 4 -15.719 8.842 -5.369 1.00 0.00 C ATOM 55 CG LYS A 4 -15.280 7.402 -5.638 1.00 0.00 C ATOM 56 CD LYS A 4 -13.963 7.411 -6.416 1.00 0.00 C ATOM 57 CE LYS A 4 -13.520 5.973 -6.689 1.00 0.00 C ATOM 58 NZ LYS A 4 -12.243 5.983 -7.455 1.00 0.00 N ATOM 0 H LYS A 4 -18.363 8.790 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.918 8.254 -3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.843 9.376 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.949 9.367 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.156 6.866 -4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.047 6.876 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.088 7.949 -7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.196 7.937 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.388 5.437 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.290 5.445 -7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.625 5.221 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.443 5.836 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.768 6.899 -7.326 1.00 0.00 H new ATOM 72 N GLN A 5 -16.979 10.702 -3.028 1.00 0.00 N ATOM 73 CA GLN A 5 -17.275 12.058 -2.573 1.00 0.00 C ATOM 74 C GLN A 5 -16.261 12.532 -1.551 1.00 0.00 C ATOM 75 O GLN A 5 -15.584 11.730 -0.908 1.00 0.00 O ATOM 76 CB GLN A 5 -18.659 12.111 -1.936 1.00 0.00 C ATOM 77 CG GLN A 5 -18.695 11.194 -0.713 1.00 0.00 C ATOM 78 CD GLN A 5 -20.096 11.188 -0.108 1.00 0.00 C ATOM 79 OE1 GLN A 5 -20.616 12.238 0.266 1.00 0.00 O ATOM 80 NE2 GLN A 5 -20.739 10.057 0.011 1.00 0.00 N ATOM 0 H GLN A 5 -16.440 10.138 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.234 12.708 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.897 13.134 -1.644 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -19.415 11.802 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.409 10.182 -0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.971 11.533 0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.305 9.188 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.675 10.043 0.415 1.00 0.00 H new ATOM 89 N LYS A 6 -16.184 13.844 -1.387 1.00 0.00 N ATOM 90 CA LYS A 6 -15.275 14.418 -0.416 1.00 0.00 C ATOM 91 C LYS A 6 -15.991 15.501 0.385 1.00 0.00 C ATOM 92 O LYS A 6 -16.626 16.387 -0.187 1.00 0.00 O ATOM 93 CB LYS A 6 -14.044 15.002 -1.118 1.00 0.00 C ATOM 94 CG LYS A 6 -13.103 15.634 -0.086 1.00 0.00 C ATOM 95 CD LYS A 6 -12.595 14.557 0.876 1.00 0.00 C ATOM 96 CE LYS A 6 -11.471 15.136 1.739 1.00 0.00 C ATOM 97 NZ LYS A 6 -12.006 16.252 2.568 1.00 0.00 N ATOM 0 H LYS A 6 -16.736 14.523 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.944 13.634 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.522 14.218 -1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.352 15.751 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.262 16.111 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.626 16.413 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.410 14.205 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.232 13.695 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.054 14.360 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.660 15.496 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.315 16.499 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.180 17.081 1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.897 15.956 3.015 1.00 0.00 H new ATOM 111 N ASP A 7 -15.902 15.417 1.709 1.00 0.00 N ATOM 112 CA ASP A 7 -16.569 16.391 2.567 1.00 0.00 C ATOM 113 C ASP A 7 -15.566 17.282 3.300 1.00 0.00 C ATOM 114 O ASP A 7 -15.331 18.424 2.904 1.00 0.00 O ATOM 115 CB ASP A 7 -17.443 15.662 3.588 1.00 0.00 C ATOM 116 CG ASP A 7 -17.907 16.634 4.665 1.00 0.00 C ATOM 117 OD1 ASP A 7 -18.721 17.486 4.353 1.00 0.00 O ATOM 118 OD2 ASP A 7 -17.444 16.511 5.787 1.00 0.00 O ATOM 0 H ASP A 7 -15.382 14.694 2.206 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.184 17.029 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.306 15.219 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.882 14.845 4.041 1.00 0.00 H new ATOM 123 N ALA A 8 -14.995 16.760 4.381 1.00 0.00 N ATOM 124 CA ALA A 8 -14.040 17.519 5.179 1.00 0.00 C ATOM 125 C ALA A 8 -13.104 16.569 5.925 1.00 0.00 C ATOM 126 O ALA A 8 -12.892 15.437 5.491 1.00 0.00 O ATOM 127 CB ALA A 8 -14.794 18.404 6.175 1.00 0.00 C ATOM 0 H ALA A 8 -15.177 15.817 4.723 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.443 18.149 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.079 18.971 6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.441 19.093 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.399 17.779 6.832 1.00 0.00 H new ATOM 133 N VAL A 9 -12.543 17.025 7.046 1.00 0.00 N ATOM 134 CA VAL A 9 -11.641 16.179 7.816 1.00 0.00 C ATOM 135 C VAL A 9 -12.328 14.855 8.140 1.00 0.00 C ATOM 136 O VAL A 9 -11.669 13.831 8.322 1.00 0.00 O ATOM 137 CB VAL A 9 -11.236 16.881 9.115 1.00 0.00 C ATOM 138 CG1 VAL A 9 -10.489 18.176 8.788 1.00 0.00 C ATOM 139 CG2 VAL A 9 -12.489 17.212 9.930 1.00 0.00 C ATOM 0 H VAL A 9 -12.695 17.957 7.432 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.746 15.988 7.224 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.587 16.222 9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.202 18.674 9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.596 17.944 8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.137 18.833 8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.200 17.712 10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.137 17.869 9.350 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.023 16.292 10.167 1.00 0.00 H new ATOM 149 N SER A 10 -13.658 14.877 8.181 1.00 0.00 N ATOM 150 CA SER A 10 -14.424 13.667 8.449 1.00 0.00 C ATOM 151 C SER A 10 -15.232 13.292 7.211 1.00 0.00 C ATOM 152 O SER A 10 -15.934 14.128 6.640 1.00 0.00 O ATOM 153 CB SER A 10 -15.367 13.892 9.632 1.00 0.00 C ATOM 154 OG SER A 10 -14.600 14.159 10.799 1.00 0.00 O ATOM 0 H SER A 10 -14.222 15.714 8.033 1.00 0.00 H new ATOM 0 HA SER A 10 -13.737 12.857 8.695 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.037 14.726 9.424 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.992 13.012 9.787 1.00 0.00 H new ATOM 0 HG SER A 10 -15.201 14.305 11.559 1.00 0.00 H new ATOM 160 N ASP A 11 -15.117 12.039 6.791 1.00 0.00 N ATOM 161 CA ASP A 11 -15.831 11.570 5.606 1.00 0.00 C ATOM 162 C ASP A 11 -15.759 10.051 5.513 1.00 0.00 C ATOM 163 O ASP A 11 -15.139 9.400 6.353 1.00 0.00 O ATOM 164 CB ASP A 11 -15.220 12.197 4.349 1.00 0.00 C ATOM 165 CG ASP A 11 -16.260 12.272 3.233 1.00 0.00 C ATOM 166 OD1 ASP A 11 -17.377 11.836 3.455 1.00 0.00 O ATOM 167 OD2 ASP A 11 -15.921 12.769 2.172 1.00 0.00 O ATOM 0 H ASP A 11 -14.541 11.332 7.248 1.00 0.00 H new ATOM 0 HA ASP A 11 -16.876 11.868 5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.849 13.196 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.365 11.607 4.019 1.00 0.00 H new ATOM 172 N THR A 12 -16.385 9.489 4.483 1.00 0.00 N ATOM 173 CA THR A 12 -16.361 8.044 4.304 1.00 0.00 C ATOM 174 C THR A 12 -14.965 7.612 3.871 1.00 0.00 C ATOM 175 O THR A 12 -14.171 8.431 3.411 1.00 0.00 O ATOM 176 CB THR A 12 -17.384 7.625 3.246 1.00 0.00 C ATOM 177 OG1 THR A 12 -17.027 8.193 1.994 1.00 0.00 O ATOM 178 CG2 THR A 12 -18.774 8.117 3.654 1.00 0.00 C ATOM 0 H THR A 12 -16.906 10.003 3.772 1.00 0.00 H new ATOM 0 HA THR A 12 -16.617 7.562 5.248 1.00 0.00 H new ATOM 0 HB THR A 12 -17.396 6.538 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 12 -17.680 7.924 1.315 1.00 0.00 H new ATOM 0 HG21 THR A 12 -19.502 7.818 2.900 1.00 0.00 H new ATOM 0 HG22 THR A 12 -19.047 7.680 4.615 1.00 0.00 H new ATOM 0 HG23 THR A 12 -18.765 9.204 3.739 1.00 0.00 H new ATOM 186 N GLY A 13 -14.658 6.332 4.041 1.00 0.00 N ATOM 187 CA GLY A 13 -13.339 5.832 3.681 1.00 0.00 C ATOM 188 C GLY A 13 -13.289 5.265 2.289 1.00 0.00 C ATOM 189 O GLY A 13 -12.272 4.696 1.901 1.00 0.00 O ATOM 0 H GLY A 13 -15.294 5.631 4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.614 6.641 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.041 5.062 4.393 1.00 0.00 H new ATOM 193 N THR A 14 -14.353 5.406 1.523 1.00 0.00 N ATOM 194 CA THR A 14 -14.299 4.879 0.183 1.00 0.00 C ATOM 195 C THR A 14 -13.152 5.590 -0.504 1.00 0.00 C ATOM 196 O THR A 14 -12.370 4.984 -1.219 1.00 0.00 O ATOM 197 CB THR A 14 -15.612 5.145 -0.558 1.00 0.00 C ATOM 198 OG1 THR A 14 -15.852 6.545 -0.606 1.00 0.00 O ATOM 199 CG2 THR A 14 -16.763 4.453 0.174 1.00 0.00 C ATOM 0 H THR A 14 -15.226 5.860 1.792 1.00 0.00 H new ATOM 0 HA THR A 14 -14.152 3.799 0.191 1.00 0.00 H new ATOM 0 HB THR A 14 -15.542 4.753 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.184 6.850 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.697 4.643 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.578 3.379 0.210 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.835 4.843 1.189 1.00 0.00 H new ATOM 207 N ALA A 15 -13.032 6.876 -0.211 1.00 0.00 N ATOM 208 CA ALA A 15 -11.921 7.672 -0.722 1.00 0.00 C ATOM 209 C ALA A 15 -10.616 7.261 -0.064 1.00 0.00 C ATOM 210 O ALA A 15 -9.547 7.231 -0.681 1.00 0.00 O ATOM 211 CB ALA A 15 -12.165 9.159 -0.494 1.00 0.00 C ATOM 0 H ALA A 15 -13.687 7.392 0.376 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.850 7.489 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.322 9.730 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.077 9.461 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.270 9.351 0.574 1.00 0.00 H new ATOM 217 N ALA A 16 -10.731 6.993 1.228 1.00 0.00 N ATOM 218 CA ALA A 16 -9.596 6.636 2.049 1.00 0.00 C ATOM 219 C ALA A 16 -8.921 5.386 1.536 1.00 0.00 C ATOM 220 O ALA A 16 -7.708 5.264 1.627 1.00 0.00 O ATOM 221 CB ALA A 16 -10.038 6.420 3.496 1.00 0.00 C ATOM 0 H ALA A 16 -11.617 7.018 1.732 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.882 7.458 2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.174 6.152 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.482 7.338 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.773 5.616 3.536 1.00 0.00 H new ATOM 227 N VAL A 17 -9.699 4.443 1.034 1.00 0.00 N ATOM 228 CA VAL A 17 -9.096 3.200 0.562 1.00 0.00 C ATOM 229 C VAL A 17 -7.955 3.480 -0.410 1.00 0.00 C ATOM 230 O VAL A 17 -6.945 2.776 -0.411 1.00 0.00 O ATOM 231 CB VAL A 17 -10.126 2.300 -0.125 1.00 0.00 C ATOM 232 CG1 VAL A 17 -10.529 2.871 -1.502 1.00 0.00 C ATOM 233 CG2 VAL A 17 -9.509 0.913 -0.309 1.00 0.00 C ATOM 0 H VAL A 17 -10.713 4.504 0.942 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.707 2.685 1.441 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.022 2.244 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.262 2.213 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.963 3.862 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.647 2.942 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -10.229 0.256 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.613 0.992 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.244 0.500 0.665 1.00 0.00 H new ATOM 243 N VAL A 18 -8.104 4.505 -1.240 1.00 0.00 N ATOM 244 CA VAL A 18 -7.049 4.830 -2.183 1.00 0.00 C ATOM 245 C VAL A 18 -5.843 5.403 -1.442 1.00 0.00 C ATOM 246 O VAL A 18 -4.699 5.035 -1.707 1.00 0.00 O ATOM 247 CB VAL A 18 -7.567 5.819 -3.227 1.00 0.00 C ATOM 248 CG1 VAL A 18 -6.405 6.303 -4.099 1.00 0.00 C ATOM 249 CG2 VAL A 18 -8.605 5.113 -4.110 1.00 0.00 C ATOM 0 H VAL A 18 -8.924 5.110 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.735 3.921 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.023 6.674 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.777 7.008 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.661 6.795 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.949 5.451 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.981 5.811 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.140 4.262 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.432 4.764 -3.491 1.00 0.00 H new ATOM 259 N LYS A 19 -6.124 6.322 -0.526 1.00 0.00 N ATOM 260 CA LYS A 19 -5.077 6.984 0.255 1.00 0.00 C ATOM 261 C LYS A 19 -4.277 6.017 1.139 1.00 0.00 C ATOM 262 O LYS A 19 -3.055 6.136 1.240 1.00 0.00 O ATOM 263 CB LYS A 19 -5.708 8.067 1.134 1.00 0.00 C ATOM 264 CG LYS A 19 -4.618 8.782 1.937 1.00 0.00 C ATOM 265 CD LYS A 19 -5.252 9.889 2.781 1.00 0.00 C ATOM 266 CE LYS A 19 -4.174 10.565 3.630 1.00 0.00 C ATOM 267 NZ LYS A 19 -3.169 11.208 2.737 1.00 0.00 N ATOM 0 H LYS A 19 -7.071 6.629 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.376 7.417 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.246 8.784 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.437 7.621 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.099 8.071 2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.873 9.205 1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.734 10.623 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.027 9.472 3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.626 11.311 4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.688 9.831 4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.634 11.921 3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.515 10.486 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.656 11.667 1.941 1.00 0.00 H new ATOM 281 N VAL A 20 -4.962 5.098 1.821 1.00 0.00 N ATOM 282 CA VAL A 20 -4.297 4.175 2.730 1.00 0.00 C ATOM 283 C VAL A 20 -3.439 3.125 2.022 1.00 0.00 C ATOM 284 O VAL A 20 -2.280 2.921 2.386 1.00 0.00 O ATOM 285 CB VAL A 20 -5.358 3.479 3.582 1.00 0.00 C ATOM 286 CG1 VAL A 20 -6.041 4.527 4.469 1.00 0.00 C ATOM 287 CG2 VAL A 20 -6.416 2.778 2.691 1.00 0.00 C ATOM 0 H VAL A 20 -5.973 4.976 1.759 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.614 4.763 3.343 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.877 2.717 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.801 4.044 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.299 4.997 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.509 5.285 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.159 2.291 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.907 3.518 2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.927 2.032 2.064 1.00 0.00 H new ATOM 297 N VAL A 21 -4.004 2.441 1.038 1.00 0.00 N ATOM 298 CA VAL A 21 -3.258 1.406 0.344 1.00 0.00 C ATOM 299 C VAL A 21 -2.081 1.974 -0.434 1.00 0.00 C ATOM 300 O VAL A 21 -0.993 1.412 -0.396 1.00 0.00 O ATOM 301 CB VAL A 21 -4.174 0.602 -0.580 1.00 0.00 C ATOM 302 CG1 VAL A 21 -3.330 -0.342 -1.462 1.00 0.00 C ATOM 303 CG2 VAL A 21 -5.155 -0.219 0.281 1.00 0.00 C ATOM 0 H VAL A 21 -4.959 2.581 0.708 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.854 0.738 1.105 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.732 1.279 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.988 -0.912 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.637 0.246 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.768 -1.027 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.813 -0.796 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.595 -0.897 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.752 0.455 0.896 1.00 0.00 H new ATOM 313 N GLU A 22 -2.295 3.067 -1.157 1.00 0.00 N ATOM 314 CA GLU A 22 -1.219 3.663 -1.948 1.00 0.00 C ATOM 315 C GLU A 22 -0.075 4.205 -1.081 1.00 0.00 C ATOM 316 O GLU A 22 1.094 4.013 -1.414 1.00 0.00 O ATOM 317 CB GLU A 22 -1.781 4.800 -2.799 1.00 0.00 C ATOM 318 CG GLU A 22 -2.667 4.224 -3.904 1.00 0.00 C ATOM 319 CD GLU A 22 -3.361 5.355 -4.656 1.00 0.00 C ATOM 320 OE1 GLU A 22 -3.313 6.476 -4.179 1.00 0.00 O ATOM 321 OE2 GLU A 22 -3.933 5.082 -5.699 1.00 0.00 O ATOM 0 H GLU A 22 -3.189 3.555 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.809 2.873 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.358 5.483 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.966 5.378 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.065 3.633 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.410 3.552 -3.473 1.00 0.00 H new ATOM 328 N SER A 23 -0.402 4.881 0.025 1.00 0.00 N ATOM 329 CA SER A 23 0.646 5.427 0.896 1.00 0.00 C ATOM 330 C SER A 23 1.436 4.302 1.549 1.00 0.00 C ATOM 331 O SER A 23 2.667 4.318 1.588 1.00 0.00 O ATOM 332 CB SER A 23 0.019 6.307 1.977 1.00 0.00 C ATOM 333 OG SER A 23 -0.589 7.438 1.368 1.00 0.00 O ATOM 0 H SER A 23 -1.357 5.061 0.334 1.00 0.00 H new ATOM 0 HA SER A 23 1.323 6.027 0.288 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.723 5.740 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.780 6.628 2.688 1.00 0.00 H new ATOM 0 HG SER A 23 -1.534 7.247 1.194 1.00 0.00 H new ATOM 339 N GLN A 24 0.700 3.318 2.041 1.00 0.00 N ATOM 340 CA GLN A 24 1.300 2.157 2.680 1.00 0.00 C ATOM 341 C GLN A 24 2.083 1.368 1.644 1.00 0.00 C ATOM 342 O GLN A 24 3.147 0.817 1.925 1.00 0.00 O ATOM 343 CB GLN A 24 0.217 1.291 3.325 1.00 0.00 C ATOM 344 CG GLN A 24 -0.393 2.047 4.513 1.00 0.00 C ATOM 345 CD GLN A 24 0.675 2.327 5.566 1.00 0.00 C ATOM 346 OE1 GLN A 24 1.419 1.427 5.952 1.00 0.00 O ATOM 347 NE2 GLN A 24 0.793 3.531 6.057 1.00 0.00 N ATOM 0 H GLN A 24 -0.319 3.300 2.010 1.00 0.00 H new ATOM 0 HA GLN A 24 1.981 2.480 3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.556 1.052 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.643 0.345 3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.830 2.985 4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.200 1.460 4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.175 4.276 5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.503 3.727 6.762 1.00 0.00 H new ATOM 356 N ALA A 25 1.520 1.314 0.448 1.00 0.00 N ATOM 357 CA ALA A 25 2.127 0.585 -0.651 1.00 0.00 C ATOM 358 C ALA A 25 3.508 1.152 -0.935 1.00 0.00 C ATOM 359 O ALA A 25 4.457 0.411 -1.169 1.00 0.00 O ATOM 360 CB ALA A 25 1.284 0.729 -1.912 1.00 0.00 C ATOM 0 H ALA A 25 0.638 1.770 0.214 1.00 0.00 H new ATOM 0 HA ALA A 25 2.195 -0.466 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.752 0.177 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.286 0.331 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.210 1.782 -2.182 1.00 0.00 H new ATOM 366 N GLU A 26 3.610 2.473 -0.874 1.00 0.00 N ATOM 367 CA GLU A 26 4.875 3.158 -1.089 1.00 0.00 C ATOM 368 C GLU A 26 5.851 2.821 0.021 1.00 0.00 C ATOM 369 O GLU A 26 7.043 2.641 -0.209 1.00 0.00 O ATOM 370 CB GLU A 26 4.655 4.671 -1.133 1.00 0.00 C ATOM 371 CG GLU A 26 5.991 5.369 -1.383 1.00 0.00 C ATOM 372 CD GLU A 26 5.780 6.875 -1.501 1.00 0.00 C ATOM 373 OE1 GLU A 26 4.644 7.305 -1.388 1.00 0.00 O ATOM 374 OE2 GLU A 26 6.759 7.577 -1.703 1.00 0.00 O ATOM 0 H GLU A 26 2.825 3.094 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 26 5.289 2.827 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.946 4.924 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.222 5.015 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.681 5.153 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.446 4.985 -2.296 1.00 0.00 H new ATOM 381 N LEU A 27 5.333 2.756 1.235 1.00 0.00 N ATOM 382 CA LEU A 27 6.168 2.450 2.383 1.00 0.00 C ATOM 383 C LEU A 27 6.738 1.041 2.270 1.00 0.00 C ATOM 384 O LEU A 27 7.900 0.802 2.591 1.00 0.00 O ATOM 385 CB LEU A 27 5.383 2.562 3.686 1.00 0.00 C ATOM 386 CG LEU A 27 6.322 2.258 4.860 1.00 0.00 C ATOM 387 CD1 LEU A 27 7.416 3.326 4.945 1.00 0.00 C ATOM 388 CD2 LEU A 27 5.521 2.229 6.164 1.00 0.00 C ATOM 0 H LEU A 27 4.348 2.909 1.450 1.00 0.00 H new ATOM 0 HA LEU A 27 6.980 3.177 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.963 3.563 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.546 1.864 3.683 1.00 0.00 H new ATOM 0 HG LEU A 27 6.789 1.286 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.078 3.103 5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.991 3.333 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.959 4.304 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.190 2.013 6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.047 3.198 6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.755 1.456 6.103 1.00 0.00 H new ATOM 400 N TYR A 28 5.924 0.121 1.772 1.00 0.00 N ATOM 401 CA TYR A 28 6.371 -1.237 1.574 1.00 0.00 C ATOM 402 C TYR A 28 7.427 -1.219 0.505 1.00 0.00 C ATOM 403 O TYR A 28 8.417 -1.928 0.585 1.00 0.00 O ATOM 404 CB TYR A 28 5.222 -2.190 1.249 1.00 0.00 C ATOM 405 CG TYR A 28 5.765 -3.588 1.077 1.00 0.00 C ATOM 406 CD1 TYR A 28 6.056 -4.369 2.203 1.00 0.00 C ATOM 407 CD2 TYR A 28 5.980 -4.104 -0.207 1.00 0.00 C ATOM 408 CE1 TYR A 28 6.561 -5.665 2.045 1.00 0.00 C ATOM 409 CE2 TYR A 28 6.484 -5.401 -0.365 1.00 0.00 C ATOM 410 CZ TYR A 28 6.775 -6.180 0.761 1.00 0.00 C ATOM 411 OH TYR A 28 7.274 -7.458 0.605 1.00 0.00 O ATOM 0 H TYR A 28 4.956 0.296 1.501 1.00 0.00 H new ATOM 0 HA TYR A 28 6.794 -1.625 2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.482 -2.171 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.716 -1.870 0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.891 -3.971 3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.757 -3.502 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.785 -6.267 2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.648 -5.800 -1.355 1.00 0.00 H new ATOM 0 HH TYR A 28 7.362 -7.661 -0.350 1.00 0.00 H new ATOM 421 N GLU A 29 7.238 -0.358 -0.486 1.00 0.00 N ATOM 422 CA GLU A 29 8.227 -0.206 -1.529 1.00 0.00 C ATOM 423 C GLU A 29 9.493 0.350 -0.925 1.00 0.00 C ATOM 424 O GLU A 29 10.590 -0.020 -1.320 1.00 0.00 O ATOM 425 CB GLU A 29 7.708 0.714 -2.618 1.00 0.00 C ATOM 426 CG GLU A 29 6.613 -0.041 -3.324 1.00 0.00 C ATOM 427 CD GLU A 29 5.822 0.883 -4.241 1.00 0.00 C ATOM 428 OE1 GLU A 29 5.988 2.087 -4.124 1.00 0.00 O ATOM 429 OE2 GLU A 29 5.060 0.376 -5.048 1.00 0.00 O ATOM 0 H GLU A 29 6.416 0.237 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 29 8.436 -1.176 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.328 1.643 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.504 0.983 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.044 -0.856 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.945 -0.492 -2.590 1.00 0.00 H new ATOM 436 N LEU A 30 9.359 1.229 0.065 1.00 0.00 N ATOM 437 CA LEU A 30 10.553 1.734 0.683 1.00 0.00 C ATOM 438 C LEU A 30 11.254 0.545 1.307 1.00 0.00 C ATOM 439 O LEU A 30 12.446 0.326 1.100 1.00 0.00 O ATOM 440 CB LEU A 30 10.224 2.785 1.752 1.00 0.00 C ATOM 441 CG LEU A 30 11.515 3.272 2.420 1.00 0.00 C ATOM 442 CD1 LEU A 30 12.423 3.937 1.382 1.00 0.00 C ATOM 443 CD2 LEU A 30 11.169 4.287 3.513 1.00 0.00 C ATOM 0 H LEU A 30 8.477 1.584 0.433 1.00 0.00 H new ATOM 0 HA LEU A 30 11.187 2.226 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.699 3.626 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.556 2.359 2.500 1.00 0.00 H new ATOM 0 HG LEU A 30 12.035 2.419 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.338 4.280 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.672 3.217 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.906 4.788 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.085 4.635 3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.646 5.135 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.529 3.815 4.258 1.00 0.00 H new ATOM 455 N LYS A 31 10.472 -0.254 2.041 1.00 0.00 N ATOM 456 CA LYS A 31 11.013 -1.465 2.649 1.00 0.00 C ATOM 457 C LYS A 31 11.747 -2.275 1.589 1.00 0.00 C ATOM 458 O LYS A 31 12.898 -2.674 1.764 1.00 0.00 O ATOM 459 CB LYS A 31 9.904 -2.304 3.301 1.00 0.00 C ATOM 460 CG LYS A 31 10.503 -3.565 3.938 1.00 0.00 C ATOM 461 CD LYS A 31 11.424 -3.176 5.100 1.00 0.00 C ATOM 462 CE LYS A 31 11.913 -4.438 5.812 1.00 0.00 C ATOM 463 NZ LYS A 31 12.809 -4.054 6.942 1.00 0.00 N ATOM 0 H LYS A 31 9.483 -0.086 2.224 1.00 0.00 H new ATOM 0 HA LYS A 31 11.711 -1.181 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.389 -1.714 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.161 -2.582 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.705 -4.216 4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.063 -4.129 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.274 -2.604 4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.890 -2.534 5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.064 -5.010 6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.447 -5.080 5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.142 -4.911 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.625 -3.525 6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.285 -3.458 7.614 1.00 0.00 H new ATOM 477 N ASN A 32 11.047 -2.493 0.470 1.00 0.00 N ATOM 478 CA ASN A 32 11.607 -3.240 -0.662 1.00 0.00 C ATOM 479 C ASN A 32 11.416 -2.448 -1.952 1.00 0.00 C ATOM 480 O ASN A 32 10.313 -2.401 -2.495 1.00 0.00 O ATOM 481 CB ASN A 32 10.919 -4.600 -0.789 1.00 0.00 C ATOM 482 CG ASN A 32 10.998 -5.352 0.535 1.00 0.00 C ATOM 483 OD1 ASN A 32 9.970 -5.686 1.124 1.00 0.00 O ATOM 484 ND2 ASN A 32 12.166 -5.639 1.043 1.00 0.00 N ATOM 0 H ASN A 32 10.093 -2.163 0.324 1.00 0.00 H new ATOM 0 HA ASN A 32 12.672 -3.395 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.877 -4.464 -1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.394 -5.184 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.227 -6.141 1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.017 -5.362 0.554 1.00 0.00 H new ATOM 491 N THR A 33 12.474 -1.802 -2.424 1.00 0.00 N ATOM 492 CA THR A 33 12.375 -0.986 -3.634 1.00 0.00 C ATOM 493 C THR A 33 12.602 -1.804 -4.906 1.00 0.00 C ATOM 494 O THR A 33 12.289 -1.346 -6.003 1.00 0.00 O ATOM 495 CB THR A 33 13.395 0.155 -3.574 1.00 0.00 C ATOM 496 OG1 THR A 33 13.110 1.093 -4.604 1.00 0.00 O ATOM 497 CG2 THR A 33 14.805 -0.407 -3.767 1.00 0.00 C ATOM 0 H THR A 33 13.400 -1.824 -1.997 1.00 0.00 H new ATOM 0 HA THR A 33 11.362 -0.586 -3.674 1.00 0.00 H new ATOM 0 HB THR A 33 13.335 0.648 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.697 0.630 -5.363 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.530 0.406 -3.724 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.021 -1.127 -2.978 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.870 -0.901 -4.737 1.00 0.00 H new ATOM 505 N ASN A 34 13.159 -3.002 -4.765 1.00 0.00 N ATOM 506 CA ASN A 34 13.428 -3.838 -5.934 1.00 0.00 C ATOM 507 C ASN A 34 12.137 -4.149 -6.687 1.00 0.00 C ATOM 508 O ASN A 34 12.093 -4.086 -7.915 1.00 0.00 O ATOM 509 CB ASN A 34 14.087 -5.146 -5.500 1.00 0.00 C ATOM 510 CG ASN A 34 14.406 -5.991 -6.728 1.00 0.00 C ATOM 511 OD1 ASN A 34 13.866 -7.172 -6.850 1.00 0.00 O flip ATOM 512 ND2 ASN A 34 15.159 -5.560 -7.599 1.00 0.00 N flip ATOM 0 H ASN A 34 13.430 -3.412 -3.871 1.00 0.00 H new ATOM 0 HA ASN A 34 14.099 -3.291 -6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 34 15.000 -4.937 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.424 -5.694 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.579 -4.636 -7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.364 -6.127 -8.422 1.00 0.00 H new ATOM 519 N GLU A 35 11.093 -4.479 -5.942 1.00 0.00 N ATOM 520 CA GLU A 35 9.800 -4.795 -6.537 1.00 0.00 C ATOM 521 C GLU A 35 8.824 -3.677 -6.215 1.00 0.00 C ATOM 522 O GLU A 35 9.233 -2.597 -5.787 1.00 0.00 O ATOM 523 CB GLU A 35 9.261 -6.102 -5.953 1.00 0.00 C ATOM 524 CG GLU A 35 10.301 -7.212 -6.125 1.00 0.00 C ATOM 525 CD GLU A 35 10.514 -7.501 -7.608 1.00 0.00 C ATOM 526 OE1 GLU A 35 9.642 -7.157 -8.390 1.00 0.00 O ATOM 527 OE2 GLU A 35 11.545 -8.060 -7.940 1.00 0.00 O ATOM 0 H GLU A 35 11.114 -4.535 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 35 9.917 -4.901 -7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.027 -5.970 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.333 -6.379 -6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.243 -6.914 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.969 -8.116 -5.614 1.00 0.00 H new ATOM 534 N LYS A 36 7.533 -3.961 -6.331 1.00 0.00 N ATOM 535 CA LYS A 36 6.536 -3.007 -5.957 1.00 0.00 C ATOM 536 C LYS A 36 5.594 -3.721 -5.034 1.00 0.00 C ATOM 537 O LYS A 36 5.289 -4.893 -5.258 1.00 0.00 O ATOM 538 CB LYS A 36 5.753 -2.499 -7.159 1.00 0.00 C ATOM 539 CG LYS A 36 6.691 -1.826 -8.167 1.00 0.00 C ATOM 540 CD LYS A 36 7.338 -0.586 -7.543 1.00 0.00 C ATOM 541 CE LYS A 36 8.223 0.103 -8.582 1.00 0.00 C ATOM 542 NZ LYS A 36 8.863 1.304 -7.973 1.00 0.00 N ATOM 0 H LYS A 36 7.168 -4.846 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 36 7.011 -2.143 -5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.231 -3.328 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.993 -1.790 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.463 -2.528 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.134 -1.544 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.568 0.101 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.932 -0.870 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.987 -0.587 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.627 0.395 -9.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.465 1.773 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.127 1.965 -7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.444 1.013 -7.161 1.00 0.00 H new ATOM 556 N ALA A 37 5.141 -3.050 -3.998 1.00 0.00 N ATOM 557 CA ALA A 37 4.240 -3.684 -3.068 1.00 0.00 C ATOM 558 C ALA A 37 3.104 -4.309 -3.832 1.00 0.00 C ATOM 559 O ALA A 37 2.886 -3.989 -5.001 1.00 0.00 O ATOM 560 CB ALA A 37 3.662 -2.658 -2.073 1.00 0.00 C ATOM 0 H ALA A 37 5.378 -2.082 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 37 4.794 -4.440 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.986 -3.162 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.475 -2.197 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.116 -1.889 -2.619 1.00 0.00 H new ATOM 566 N SER A 38 2.379 -5.194 -3.189 1.00 0.00 N ATOM 567 CA SER A 38 1.252 -5.804 -3.830 1.00 0.00 C ATOM 568 C SER A 38 0.112 -5.802 -2.831 1.00 0.00 C ATOM 569 O SER A 38 0.346 -5.930 -1.631 1.00 0.00 O ATOM 570 CB SER A 38 1.596 -7.217 -4.203 1.00 0.00 C ATOM 571 OG SER A 38 2.787 -7.228 -4.977 1.00 0.00 O ATOM 0 H SER A 38 2.552 -5.501 -2.232 1.00 0.00 H new ATOM 0 HA SER A 38 0.974 -5.262 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.729 -7.819 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.778 -7.664 -4.769 1.00 0.00 H new ATOM 0 HG SER A 38 2.559 -7.183 -5.929 1.00 0.00 H new ATOM 577 N LEU A 39 -1.102 -5.622 -3.304 1.00 0.00 N ATOM 578 CA LEU A 39 -2.228 -5.575 -2.392 1.00 0.00 C ATOM 579 C LEU A 39 -2.212 -6.826 -1.535 1.00 0.00 C ATOM 580 O LEU A 39 -2.435 -6.772 -0.324 1.00 0.00 O ATOM 581 CB LEU A 39 -3.526 -5.521 -3.183 1.00 0.00 C ATOM 582 CG LEU A 39 -4.683 -5.211 -2.238 1.00 0.00 C ATOM 583 CD1 LEU A 39 -5.722 -4.386 -2.984 1.00 0.00 C ATOM 584 CD2 LEU A 39 -5.317 -6.522 -1.752 1.00 0.00 C ATOM 0 H LEU A 39 -1.334 -5.508 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.157 -4.688 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.461 -4.758 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.698 -6.472 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.317 -4.652 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.554 -4.159 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.269 -3.456 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.088 -4.951 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.143 -6.298 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.690 -7.085 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.569 -7.115 -1.226 1.00 0.00 H new ATOM 596 N SER A 40 -1.902 -7.941 -2.166 1.00 0.00 N ATOM 597 CA SER A 40 -1.805 -9.200 -1.453 1.00 0.00 C ATOM 598 C SER A 40 -0.644 -9.154 -0.456 1.00 0.00 C ATOM 599 O SER A 40 -0.708 -9.760 0.612 1.00 0.00 O ATOM 600 CB SER A 40 -1.588 -10.346 -2.442 1.00 0.00 C ATOM 601 OG SER A 40 -0.350 -10.159 -3.113 1.00 0.00 O ATOM 0 H SER A 40 -1.714 -8.002 -3.167 1.00 0.00 H new ATOM 0 HA SER A 40 -2.735 -9.366 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.589 -11.301 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.404 -10.379 -3.163 1.00 0.00 H new ATOM 0 HG SER A 40 -0.517 -9.945 -4.054 1.00 0.00 H new ATOM 607 N LYS A 41 0.434 -8.454 -0.822 1.00 0.00 N ATOM 608 CA LYS A 41 1.602 -8.373 0.054 1.00 0.00 C ATOM 609 C LYS A 41 1.405 -7.491 1.267 1.00 0.00 C ATOM 610 O LYS A 41 1.770 -7.885 2.367 1.00 0.00 O ATOM 611 CB LYS A 41 2.828 -7.900 -0.716 1.00 0.00 C ATOM 612 CG LYS A 41 3.304 -8.999 -1.662 1.00 0.00 C ATOM 613 CD LYS A 41 4.509 -8.484 -2.448 1.00 0.00 C ATOM 614 CE LYS A 41 4.983 -9.565 -3.413 1.00 0.00 C ATOM 615 NZ LYS A 41 6.156 -9.067 -4.184 1.00 0.00 N ATOM 0 H LYS A 41 0.521 -7.945 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 41 1.752 -9.388 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.588 -7.000 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.625 -7.636 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.575 -9.891 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.502 -9.284 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.240 -7.582 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.314 -8.212 -1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.253 -10.466 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.177 -9.838 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.478 -9.805 -4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.884 -8.219 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.927 -8.828 -3.528 1.00 0.00 H new ATOM 629 N LEU A 42 0.907 -6.280 1.082 1.00 0.00 N ATOM 630 CA LEU A 42 0.779 -5.375 2.190 1.00 0.00 C ATOM 631 C LEU A 42 -0.132 -6.015 3.180 1.00 0.00 C ATOM 632 O LEU A 42 -0.013 -5.861 4.394 1.00 0.00 O ATOM 633 CB LEU A 42 0.071 -4.104 1.719 1.00 0.00 C ATOM 634 CG LEU A 42 0.917 -3.360 0.697 1.00 0.00 C ATOM 635 CD1 LEU A 42 0.102 -2.199 0.123 1.00 0.00 C ATOM 636 CD2 LEU A 42 2.160 -2.815 1.376 1.00 0.00 C ATOM 0 H LEU A 42 0.591 -5.913 0.184 1.00 0.00 H new ATOM 0 HA LEU A 42 1.761 -5.147 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.894 -4.361 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.129 -3.456 2.573 1.00 0.00 H new ATOM 0 HG LEU A 42 1.208 -4.038 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.702 -1.661 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.796 -2.587 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.182 -1.521 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.769 -2.281 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.869 -2.133 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.736 -3.639 1.796 1.00 0.00 H new ATOM 648 N VAL A 43 -1.135 -6.612 2.600 1.00 0.00 N ATOM 649 CA VAL A 43 -2.158 -7.131 3.398 1.00 0.00 C ATOM 650 C VAL A 43 -1.695 -8.312 4.164 1.00 0.00 C ATOM 651 O VAL A 43 -1.947 -8.364 5.370 1.00 0.00 O ATOM 652 CB VAL A 43 -3.417 -7.366 2.617 1.00 0.00 C ATOM 653 CG1 VAL A 43 -3.515 -8.789 2.080 1.00 0.00 C ATOM 654 CG2 VAL A 43 -4.584 -7.079 3.537 1.00 0.00 C ATOM 0 H VAL A 43 -1.247 -6.740 1.594 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.423 -6.379 4.141 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.421 -6.708 1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.445 -8.904 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.670 -8.988 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.500 -9.494 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.519 -7.240 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.541 -7.745 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.534 -6.044 3.876 1.00 0.00 H new ATOM 664 N SER A 44 -1.012 -9.271 3.551 1.00 0.00 N ATOM 665 CA SER A 44 -0.582 -10.341 4.357 1.00 0.00 C ATOM 666 C SER A 44 0.342 -9.736 5.397 1.00 0.00 C ATOM 667 O SER A 44 0.176 -9.948 6.598 1.00 0.00 O ATOM 668 CB SER A 44 0.132 -11.388 3.514 1.00 0.00 C ATOM 669 OG SER A 44 -0.796 -11.981 2.614 1.00 0.00 O ATOM 0 H SER A 44 -0.769 -9.310 2.561 1.00 0.00 H new ATOM 0 HA SER A 44 -1.418 -10.851 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.950 -10.929 2.960 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.571 -12.151 4.157 1.00 0.00 H new ATOM 0 HG SER A 44 -0.926 -11.391 1.842 1.00 0.00 H new ATOM 675 N SER A 45 1.233 -8.874 4.890 1.00 0.00 N ATOM 676 CA SER A 45 2.143 -8.027 5.690 1.00 0.00 C ATOM 677 C SER A 45 1.436 -7.219 6.807 1.00 0.00 C ATOM 678 O SER A 45 2.069 -6.333 7.381 1.00 0.00 O ATOM 679 CB SER A 45 2.904 -7.059 4.782 1.00 0.00 C ATOM 680 OG SER A 45 3.864 -6.349 5.552 1.00 0.00 O ATOM 0 H SER A 45 1.348 -8.739 3.886 1.00 0.00 H new ATOM 0 HA SER A 45 2.827 -8.719 6.182 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.398 -7.607 3.980 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.210 -6.362 4.312 1.00 0.00 H new ATOM 0 HG SER A 45 3.436 -5.989 6.357 1.00 0.00 H new ATOM 686 N GLY A 46 0.124 -7.452 7.028 1.00 0.00 N ATOM 687 CA GLY A 46 -0.718 -6.672 7.942 1.00 0.00 C ATOM 688 C GLY A 46 -0.265 -5.222 8.089 1.00 0.00 C ATOM 689 O GLY A 46 -0.461 -4.588 9.126 1.00 0.00 O ATOM 0 H GLY A 46 -0.384 -8.205 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.747 -6.690 7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.715 -7.148 8.923 1.00 0.00 H new ATOM 693 N ASN A 47 0.216 -4.678 6.968 1.00 0.00 N ATOM 694 CA ASN A 47 0.560 -3.274 6.857 1.00 0.00 C ATOM 695 C ASN A 47 -0.725 -2.478 6.934 1.00 0.00 C ATOM 696 O ASN A 47 -0.814 -1.414 7.546 1.00 0.00 O ATOM 697 CB ASN A 47 1.233 -3.033 5.508 1.00 0.00 C ATOM 698 CG ASN A 47 2.654 -3.587 5.534 1.00 0.00 C ATOM 699 OD1 ASN A 47 3.227 -3.775 6.607 1.00 0.00 O ATOM 700 ND2 ASN A 47 3.257 -3.870 4.413 1.00 0.00 N ATOM 0 H ASN A 47 0.375 -5.209 6.112 1.00 0.00 H new ATOM 0 HA ASN A 47 1.240 -2.974 7.654 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.660 -3.513 4.714 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.253 -1.966 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.204 -4.248 4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.781 -3.714 3.524 1.00 0.00 H new ATOM 707 N ILE A 48 -1.720 -3.059 6.274 1.00 0.00 N ATOM 708 CA ILE A 48 -3.055 -2.522 6.183 1.00 0.00 C ATOM 709 C ILE A 48 -4.057 -3.617 6.505 1.00 0.00 C ATOM 710 O ILE A 48 -3.736 -4.802 6.424 1.00 0.00 O ATOM 711 CB ILE A 48 -3.294 -2.003 4.768 1.00 0.00 C ATOM 712 CG1 ILE A 48 -2.849 -3.069 3.764 1.00 0.00 C ATOM 713 CG2 ILE A 48 -2.484 -0.740 4.537 1.00 0.00 C ATOM 714 CD1 ILE A 48 -3.455 -2.773 2.392 1.00 0.00 C ATOM 0 H ILE A 48 -1.608 -3.942 5.776 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.174 -1.703 6.892 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.354 -1.782 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.761 -3.086 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.162 -4.056 4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.660 -0.375 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.786 0.022 5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.424 -0.959 4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.135 -3.535 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.542 -2.779 2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.120 -1.794 2.050 1.00 0.00 H new ATOM 726 N SER A 49 -5.259 -3.225 6.875 1.00 0.00 N ATOM 727 CA SER A 49 -6.279 -4.198 7.210 1.00 0.00 C ATOM 728 C SER A 49 -6.975 -4.714 5.962 1.00 0.00 C ATOM 729 O SER A 49 -7.315 -3.950 5.086 1.00 0.00 O ATOM 730 CB SER A 49 -7.319 -3.558 8.119 1.00 0.00 C ATOM 731 OG SER A 49 -8.332 -4.509 8.419 1.00 0.00 O ATOM 0 H SER A 49 -5.552 -2.251 6.951 1.00 0.00 H new ATOM 0 HA SER A 49 -5.794 -5.033 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.849 -3.208 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.756 -2.686 7.633 1.00 0.00 H new ATOM 0 HG SER A 49 -9.057 -4.070 8.911 1.00 0.00 H new ATOM 737 N GLN A 50 -7.146 -6.022 5.886 1.00 0.00 N ATOM 738 CA GLN A 50 -7.786 -6.658 4.733 1.00 0.00 C ATOM 739 C GLN A 50 -9.121 -5.991 4.390 1.00 0.00 C ATOM 740 O GLN A 50 -9.619 -6.137 3.295 1.00 0.00 O ATOM 741 CB GLN A 50 -8.090 -8.102 5.049 1.00 0.00 C ATOM 742 CG GLN A 50 -8.481 -8.854 3.771 1.00 0.00 C ATOM 743 CD GLN A 50 -7.293 -8.921 2.818 1.00 0.00 C ATOM 744 OE1 GLN A 50 -6.239 -9.440 3.185 1.00 0.00 O ATOM 745 NE2 GLN A 50 -7.381 -8.404 1.625 1.00 0.00 N ATOM 0 H GLN A 50 -6.850 -6.674 6.612 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.096 -6.564 3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.219 -8.573 5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.900 -8.160 5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.814 -9.861 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.318 -8.352 3.286 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.254 -7.973 1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.577 -8.430 0.997 1.00 0.00 H new ATOM 754 N LYS A 51 -9.695 -5.250 5.315 1.00 0.00 N ATOM 755 CA LYS A 51 -10.945 -4.556 5.035 1.00 0.00 C ATOM 756 C LYS A 51 -10.588 -3.407 4.111 1.00 0.00 C ATOM 757 O LYS A 51 -11.253 -3.121 3.116 1.00 0.00 O ATOM 758 CB LYS A 51 -11.561 -4.084 6.349 1.00 0.00 C ATOM 759 CG LYS A 51 -10.783 -2.919 6.978 1.00 0.00 C ATOM 760 CD LYS A 51 -11.438 -2.527 8.305 1.00 0.00 C ATOM 761 CE LYS A 51 -10.669 -1.361 8.928 1.00 0.00 C ATOM 762 NZ LYS A 51 -11.311 -0.975 10.217 1.00 0.00 N ATOM 0 H LYS A 51 -9.326 -5.111 6.256 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.689 -5.193 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.592 -3.776 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.593 -4.917 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.745 -3.208 7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.772 -2.066 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.478 -2.244 8.140 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.443 -3.378 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.630 -1.645 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.660 -0.511 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.789 -0.182 10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.295 -0.687 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.298 -1.786 10.868 1.00 0.00 H new ATOM 776 N GLN A 52 -9.463 -2.821 4.462 1.00 0.00 N ATOM 777 CA GLN A 52 -8.874 -1.763 3.713 1.00 0.00 C ATOM 778 C GLN A 52 -8.418 -2.366 2.399 1.00 0.00 C ATOM 779 O GLN A 52 -8.731 -1.844 1.327 1.00 0.00 O ATOM 780 CB GLN A 52 -7.684 -1.187 4.490 1.00 0.00 C ATOM 781 CG GLN A 52 -7.905 0.300 4.786 1.00 0.00 C ATOM 782 CD GLN A 52 -7.248 0.662 6.117 1.00 0.00 C ATOM 783 OE1 GLN A 52 -6.459 1.703 6.195 1.00 0.00 O flip ATOM 784 NE2 GLN A 52 -7.457 -0.026 7.115 1.00 0.00 N flip ATOM 0 H GLN A 52 -8.933 -3.081 5.293 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.578 -0.950 3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.553 -1.734 5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.768 -1.317 3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.484 0.907 3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.972 0.519 4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.072 -0.838 7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.015 0.215 8.002 1.00 0.00 H new ATOM 793 N ALA A 53 -7.632 -3.449 2.479 1.00 0.00 N ATOM 794 CA ALA A 53 -7.106 -4.059 1.259 1.00 0.00 C ATOM 795 C ALA A 53 -8.210 -4.564 0.350 1.00 0.00 C ATOM 796 O ALA A 53 -8.130 -4.447 -0.862 1.00 0.00 O ATOM 797 CB ALA A 53 -6.175 -5.204 1.601 1.00 0.00 C ATOM 0 H ALA A 53 -7.355 -3.906 3.348 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.558 -3.282 0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.792 -5.648 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.343 -4.831 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.719 -5.958 2.169 1.00 0.00 H new ATOM 803 N ASP A 54 -9.242 -5.127 0.930 1.00 0.00 N ATOM 804 CA ASP A 54 -10.333 -5.638 0.109 1.00 0.00 C ATOM 805 C ASP A 54 -10.973 -4.543 -0.707 1.00 0.00 C ATOM 806 O ASP A 54 -11.309 -4.747 -1.874 1.00 0.00 O ATOM 807 CB ASP A 54 -11.409 -6.313 0.959 1.00 0.00 C ATOM 808 CG ASP A 54 -10.926 -7.662 1.479 1.00 0.00 C ATOM 809 OD1 ASP A 54 -9.942 -8.154 0.961 1.00 0.00 O ATOM 810 OD2 ASP A 54 -11.549 -8.181 2.390 1.00 0.00 O ATOM 0 H ASP A 54 -9.357 -5.245 1.937 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.892 -6.375 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.672 -5.669 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.313 -6.450 0.366 1.00 0.00 H new ATOM 815 N SER A 55 -11.133 -3.385 -0.116 1.00 0.00 N ATOM 816 CA SER A 55 -11.720 -2.289 -0.840 1.00 0.00 C ATOM 817 C SER A 55 -10.830 -1.860 -2.010 1.00 0.00 C ATOM 818 O SER A 55 -11.332 -1.547 -3.095 1.00 0.00 O ATOM 819 CB SER A 55 -11.976 -1.121 0.113 1.00 0.00 C ATOM 820 OG SER A 55 -12.989 -1.487 1.040 1.00 0.00 O ATOM 0 H SER A 55 -10.870 -3.180 0.848 1.00 0.00 H new ATOM 0 HA SER A 55 -12.671 -2.616 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.059 -0.860 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.282 -0.238 -0.449 1.00 0.00 H new ATOM 0 HG SER A 55 -12.591 -2.003 1.772 1.00 0.00 H new ATOM 826 N TYR A 56 -9.505 -1.821 -1.807 1.00 0.00 N ATOM 827 CA TYR A 56 -8.612 -1.388 -2.888 1.00 0.00 C ATOM 828 C TYR A 56 -8.575 -2.450 -3.982 1.00 0.00 C ATOM 829 O TYR A 56 -8.579 -2.157 -5.178 1.00 0.00 O ATOM 830 CB TYR A 56 -7.213 -1.117 -2.333 1.00 0.00 C ATOM 831 CG TYR A 56 -6.471 -0.189 -3.270 1.00 0.00 C ATOM 832 CD1 TYR A 56 -6.964 1.104 -3.494 1.00 0.00 C ATOM 833 CD2 TYR A 56 -5.298 -0.604 -3.903 1.00 0.00 C ATOM 834 CE1 TYR A 56 -6.289 1.975 -4.353 1.00 0.00 C ATOM 835 CE2 TYR A 56 -4.621 0.269 -4.763 1.00 0.00 C ATOM 836 CZ TYR A 56 -5.117 1.558 -4.988 1.00 0.00 C ATOM 837 OH TYR A 56 -4.454 2.418 -5.838 1.00 0.00 O ATOM 0 H TYR A 56 -9.041 -2.075 -0.935 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.988 -0.462 -3.323 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.284 -0.670 -1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.666 -2.053 -2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.869 1.428 -3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.913 -1.598 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.673 2.970 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.714 -0.053 -5.254 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.628 3.344 -5.568 1.00 0.00 H new ATOM 847 N LYS A 57 -8.555 -3.687 -3.525 1.00 0.00 N ATOM 848 CA LYS A 57 -8.537 -4.849 -4.399 1.00 0.00 C ATOM 849 C LYS A 57 -9.755 -4.810 -5.288 1.00 0.00 C ATOM 850 O LYS A 57 -9.714 -5.213 -6.446 1.00 0.00 O ATOM 851 CB LYS A 57 -8.536 -6.134 -3.577 1.00 0.00 C ATOM 852 CG LYS A 57 -8.460 -7.342 -4.513 1.00 0.00 C ATOM 853 CD LYS A 57 -8.423 -8.628 -3.685 1.00 0.00 C ATOM 854 CE LYS A 57 -8.321 -9.834 -4.619 1.00 0.00 C ATOM 855 NZ LYS A 57 -9.539 -9.904 -5.476 1.00 0.00 N ATOM 0 H LYS A 57 -8.551 -3.918 -2.531 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.632 -4.830 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.689 -6.138 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.439 -6.189 -2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.321 -7.352 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.571 -7.275 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.573 -8.610 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.321 -8.704 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.430 -9.751 -5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.220 -10.750 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.642 -10.867 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.377 -9.663 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.449 -9.230 -6.263 1.00 0.00 H new ATOM 869 N ALA A 58 -10.830 -4.283 -4.734 1.00 0.00 N ATOM 870 CA ALA A 58 -12.067 -4.135 -5.462 1.00 0.00 C ATOM 871 C ALA A 58 -11.863 -3.220 -6.662 1.00 0.00 C ATOM 872 O ALA A 58 -12.416 -3.474 -7.729 1.00 0.00 O ATOM 873 CB ALA A 58 -13.139 -3.568 -4.534 1.00 0.00 C ATOM 0 H ALA A 58 -10.867 -3.948 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.391 -5.110 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.074 -3.456 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.290 -4.247 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.819 -2.595 -4.160 1.00 0.00 H new ATOM 879 N TYR A 59 -11.050 -2.162 -6.514 1.00 0.00 N ATOM 880 CA TYR A 59 -10.799 -1.271 -7.644 1.00 0.00 C ATOM 881 C TYR A 59 -10.094 -2.037 -8.764 1.00 0.00 C ATOM 882 O TYR A 59 -10.447 -1.898 -9.935 1.00 0.00 O ATOM 883 CB TYR A 59 -9.946 -0.083 -7.203 1.00 0.00 C ATOM 884 CG TYR A 59 -10.791 0.852 -6.373 1.00 0.00 C ATOM 885 CD1 TYR A 59 -10.936 0.632 -5.001 1.00 0.00 C ATOM 886 CD2 TYR A 59 -11.428 1.942 -6.979 1.00 0.00 C ATOM 887 CE1 TYR A 59 -11.720 1.499 -4.231 1.00 0.00 C ATOM 888 CE2 TYR A 59 -12.212 2.809 -6.210 1.00 0.00 C ATOM 889 CZ TYR A 59 -12.359 2.587 -4.836 1.00 0.00 C ATOM 890 OH TYR A 59 -13.132 3.442 -4.077 1.00 0.00 O ATOM 0 H TYR A 59 -10.571 -1.912 -5.649 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.753 -0.896 -8.015 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.090 -0.429 -6.624 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.551 0.440 -8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.443 -0.208 -4.534 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.314 2.113 -8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.832 1.328 -3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.704 3.650 -6.677 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.625 3.730 -3.289 1.00 0.00 H new ATOM 900 N TYR A 60 -9.160 -2.915 -8.390 1.00 0.00 N ATOM 901 CA TYR A 60 -8.503 -3.764 -9.358 1.00 0.00 C ATOM 902 C TYR A 60 -9.570 -4.633 -9.978 1.00 0.00 C ATOM 903 O TYR A 60 -9.616 -4.837 -11.177 1.00 0.00 O ATOM 904 CB TYR A 60 -7.445 -4.638 -8.691 1.00 0.00 C ATOM 905 CG TYR A 60 -6.836 -5.547 -9.729 1.00 0.00 C ATOM 906 CD1 TYR A 60 -5.860 -5.056 -10.606 1.00 0.00 C ATOM 907 CD2 TYR A 60 -7.250 -6.882 -9.822 1.00 0.00 C ATOM 908 CE1 TYR A 60 -5.298 -5.898 -11.573 1.00 0.00 C ATOM 909 CE2 TYR A 60 -6.688 -7.725 -10.787 1.00 0.00 C ATOM 910 CZ TYR A 60 -5.712 -7.234 -11.662 1.00 0.00 C ATOM 911 OH TYR A 60 -5.158 -8.064 -12.616 1.00 0.00 O ATOM 0 H TYR A 60 -8.850 -3.048 -7.427 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.997 -3.158 -10.110 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.674 -4.016 -8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.893 -5.227 -7.890 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.541 -4.027 -10.536 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.004 -7.261 -9.148 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.546 -5.519 -12.249 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.007 -8.754 -10.857 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.554 -8.957 -12.542 1.00 0.00 H new ATOM 921 N GLY A 61 -10.427 -5.157 -9.117 1.00 0.00 N ATOM 922 CA GLY A 61 -11.501 -6.020 -9.553 1.00 0.00 C ATOM 923 C GLY A 61 -12.310 -5.351 -10.665 1.00 0.00 C ATOM 924 O GLY A 61 -12.544 -5.937 -11.722 1.00 0.00 O ATOM 0 H GLY A 61 -10.396 -4.996 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.093 -6.965 -9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.153 -6.253 -8.711 1.00 0.00 H new ATOM 928 N LYS A 62 -12.697 -4.104 -10.424 1.00 0.00 N ATOM 929 CA LYS A 62 -13.443 -3.301 -11.395 1.00 0.00 C ATOM 930 C LYS A 62 -12.682 -3.106 -12.718 1.00 0.00 C ATOM 931 O LYS A 62 -13.184 -2.440 -13.624 1.00 0.00 O ATOM 932 CB LYS A 62 -13.758 -1.931 -10.792 1.00 0.00 C ATOM 933 CG LYS A 62 -15.219 -1.896 -10.338 1.00 0.00 C ATOM 934 CD LYS A 62 -15.424 -2.895 -9.199 1.00 0.00 C ATOM 935 CE LYS A 62 -16.868 -2.813 -8.700 1.00 0.00 C ATOM 936 NZ LYS A 62 -17.067 -3.788 -7.590 1.00 0.00 N ATOM 0 H LYS A 62 -12.504 -3.617 -9.549 1.00 0.00 H new ATOM 0 HA LYS A 62 -14.360 -3.845 -11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.099 -1.734 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.576 -1.148 -11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.484 -0.892 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.876 -2.140 -11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.204 -3.905 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.734 -2.679 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.088 -1.803 -8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.558 -3.028 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.049 -3.732 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.874 -4.750 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.418 -3.563 -6.809 1.00 0.00 H new ATOM 950 N HIS A 63 -11.452 -3.618 -12.804 1.00 0.00 N ATOM 951 CA HIS A 63 -10.626 -3.410 -13.992 1.00 0.00 C ATOM 952 C HIS A 63 -11.373 -3.616 -15.302 1.00 0.00 C ATOM 953 O HIS A 63 -12.379 -4.318 -15.387 1.00 0.00 O ATOM 954 CB HIS A 63 -9.418 -4.346 -13.996 1.00 0.00 C ATOM 955 CG HIS A 63 -9.880 -5.774 -14.136 1.00 0.00 C ATOM 956 ND1 HIS A 63 -10.162 -6.335 -15.374 1.00 0.00 N ATOM 957 CD2 HIS A 63 -10.114 -6.769 -13.217 1.00 0.00 C ATOM 958 CE1 HIS A 63 -10.544 -7.608 -15.167 1.00 0.00 C ATOM 959 NE2 HIS A 63 -10.533 -7.924 -13.870 1.00 0.00 N ATOM 0 H HIS A 63 -11.011 -4.174 -12.072 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.315 -2.367 -13.933 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.749 -4.088 -14.817 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.850 -4.226 -13.073 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -9.991 -6.669 -12.149 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -10.825 -8.291 -15.954 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -10.779 -8.820 -13.448 1.00 0.00 H new ATOM 968 N SER A 64 -10.810 -2.973 -16.311 1.00 0.00 N ATOM 969 CA SER A 64 -11.299 -2.997 -17.677 1.00 0.00 C ATOM 970 C SER A 64 -10.358 -2.108 -18.471 1.00 0.00 C ATOM 971 O SER A 64 -10.673 -0.953 -18.760 1.00 0.00 O ATOM 972 CB SER A 64 -12.723 -2.453 -17.752 1.00 0.00 C ATOM 973 OG SER A 64 -13.167 -2.479 -19.103 1.00 0.00 O ATOM 0 H SER A 64 -9.973 -2.402 -16.197 1.00 0.00 H new ATOM 0 HA SER A 64 -11.324 -4.014 -18.069 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.386 -3.052 -17.128 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.756 -1.434 -17.366 1.00 0.00 H new ATOM 0 HG SER A 64 -14.082 -2.131 -19.153 1.00 0.00 H new ATOM 979 N GLY A 65 -9.170 -2.626 -18.751 1.00 0.00 N ATOM 980 CA GLY A 65 -8.155 -1.838 -19.428 1.00 0.00 C ATOM 981 C GLY A 65 -7.414 -0.968 -18.400 1.00 0.00 C ATOM 982 O GLY A 65 -6.657 -0.069 -18.761 1.00 0.00 O ATOM 0 H GLY A 65 -8.889 -3.579 -18.522 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.451 -2.494 -19.940 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.616 -1.208 -20.189 1.00 0.00 H new ATOM 986 N GLU A 66 -7.656 -1.249 -17.107 1.00 0.00 N ATOM 987 CA GLU A 66 -7.029 -0.499 -16.017 1.00 0.00 C ATOM 988 C GLU A 66 -6.704 -1.432 -14.846 1.00 0.00 C ATOM 989 O GLU A 66 -7.099 -2.594 -14.844 1.00 0.00 O ATOM 990 CB GLU A 66 -7.970 0.606 -15.537 1.00 0.00 C ATOM 991 CG GLU A 66 -9.266 -0.021 -15.015 1.00 0.00 C ATOM 992 CD GLU A 66 -10.213 1.068 -14.525 1.00 0.00 C ATOM 993 OE1 GLU A 66 -9.839 2.228 -14.596 1.00 0.00 O ATOM 994 OE2 GLU A 66 -11.298 0.727 -14.082 1.00 0.00 O ATOM 0 H GLU A 66 -8.283 -1.992 -16.797 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.105 -0.056 -16.388 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.492 1.189 -14.750 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.189 1.293 -16.354 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.743 -0.600 -15.805 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.043 -0.713 -14.203 1.00 0.00 H new ATOM 1001 N THR A 67 -5.967 -0.921 -13.861 1.00 0.00 N ATOM 1002 CA THR A 67 -5.582 -1.729 -12.699 1.00 0.00 C ATOM 1003 C THR A 67 -5.464 -0.863 -11.444 1.00 0.00 C ATOM 1004 O THR A 67 -5.883 0.295 -11.440 1.00 0.00 O ATOM 1005 CB THR A 67 -4.243 -2.423 -12.968 1.00 0.00 C ATOM 1006 OG1 THR A 67 -4.006 -3.394 -11.959 1.00 0.00 O ATOM 1007 CG2 THR A 67 -3.119 -1.387 -12.959 1.00 0.00 C ATOM 0 H THR A 67 -5.626 0.040 -13.841 1.00 0.00 H new ATOM 0 HA THR A 67 -6.357 -2.477 -12.533 1.00 0.00 H new ATOM 0 HB THR A 67 -4.274 -2.911 -13.942 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.765 -4.012 -11.915 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.167 -1.882 -13.150 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.304 -0.643 -13.734 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.084 -0.897 -11.986 1.00 0.00 H new ATOM 1015 N GLN A 68 -4.851 -1.415 -10.394 1.00 0.00 N ATOM 1016 CA GLN A 68 -4.643 -0.661 -9.165 1.00 0.00 C ATOM 1017 C GLN A 68 -3.197 -0.180 -9.059 1.00 0.00 C ATOM 1018 O GLN A 68 -2.294 -0.702 -9.716 1.00 0.00 O ATOM 1019 CB GLN A 68 -4.929 -1.512 -7.933 1.00 0.00 C ATOM 1020 CG GLN A 68 -4.101 -2.797 -7.984 1.00 0.00 C ATOM 1021 CD GLN A 68 -3.830 -3.326 -6.576 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -2.948 -4.158 -6.388 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -4.546 -2.914 -5.567 1.00 0.00 N ATOM 0 H GLN A 68 -4.495 -2.371 -10.373 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.329 0.186 -9.203 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.690 -0.951 -7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.991 -1.755 -7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.630 -3.552 -8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.156 -2.606 -8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.282 -2.223 -5.712 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.370 -3.283 -4.633 1.00 0.00 H new ATOM 1032 N THR A 69 -3.018 0.848 -8.255 1.00 0.00 N ATOM 1033 CA THR A 69 -1.719 1.480 -8.055 1.00 0.00 C ATOM 1034 C THR A 69 -0.643 0.500 -7.572 1.00 0.00 C ATOM 1035 O THR A 69 0.522 0.651 -7.943 1.00 0.00 O ATOM 1036 CB THR A 69 -1.847 2.611 -7.036 1.00 0.00 C ATOM 1037 OG1 THR A 69 -2.772 3.579 -7.516 1.00 0.00 O ATOM 1038 CG2 THR A 69 -0.482 3.269 -6.830 1.00 0.00 C ATOM 0 H THR A 69 -3.771 1.275 -7.716 1.00 0.00 H new ATOM 0 HA THR A 69 -1.405 1.862 -9.027 1.00 0.00 H new ATOM 0 HB THR A 69 -2.202 2.207 -6.088 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.546 3.618 -6.916 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.573 4.076 -6.103 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.227 2.528 -6.462 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.126 3.673 -7.778 1.00 0.00 H new ATOM 1046 N VAL A 70 -0.997 -0.475 -6.732 1.00 0.00 N ATOM 1047 CA VAL A 70 0.005 -1.401 -6.223 1.00 0.00 C ATOM 1048 C VAL A 70 -0.104 -2.730 -6.993 1.00 0.00 C ATOM 1049 O VAL A 70 -1.149 -3.010 -7.560 1.00 0.00 O ATOM 1050 CB VAL A 70 -0.174 -1.507 -4.692 1.00 0.00 C ATOM 1051 CG1 VAL A 70 -1.607 -1.852 -4.311 1.00 0.00 C ATOM 1052 CG2 VAL A 70 0.750 -2.555 -4.128 1.00 0.00 C ATOM 0 H VAL A 70 -1.947 -0.639 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 70 1.026 -1.056 -6.388 1.00 0.00 H new ATOM 0 HB VAL A 70 0.069 -0.530 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.689 -1.917 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.278 -1.077 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.881 -2.810 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.613 -2.618 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.524 -3.521 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.783 -2.285 -4.347 1.00 0.00 H new ATOM 1062 N ALA A 71 0.990 -3.507 -7.123 1.00 0.00 N ATOM 1063 CA ALA A 71 0.923 -4.719 -7.950 1.00 0.00 C ATOM 1064 C ALA A 71 0.447 -5.955 -7.193 1.00 0.00 C ATOM 1065 O ALA A 71 1.247 -6.838 -6.907 1.00 0.00 O ATOM 1066 CB ALA A 71 2.301 -5.003 -8.548 1.00 0.00 C ATOM 0 H ALA A 71 1.893 -3.325 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 71 0.185 -4.520 -8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.253 -5.902 -9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.611 -4.159 -9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.023 -5.150 -7.745 1.00 0.00 H new ATOM 1072 N ASN A 72 -0.859 -6.036 -6.920 1.00 0.00 N ATOM 1073 CA ASN A 72 -1.420 -7.202 -6.227 1.00 0.00 C ATOM 1074 C ASN A 72 -0.885 -8.504 -6.817 1.00 0.00 C ATOM 1075 O ASN A 72 -0.980 -9.519 -6.148 1.00 0.00 O ATOM 1076 CB ASN A 72 -2.949 -7.198 -6.317 1.00 0.00 C ATOM 1077 CG ASN A 72 -3.400 -7.207 -7.775 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -2.618 -7.522 -8.671 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -4.629 -6.883 -8.065 1.00 0.00 N ATOM 1080 OXT ASN A 72 -0.386 -8.466 -7.930 1.00 0.00 O ATOM 0 H ASN A 72 -1.541 -5.318 -7.164 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.117 -7.138 -5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.352 -8.069 -5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.346 -6.317 -5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.943 -6.891 -9.035 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.277 -6.622 -7.321 1.00 0.00 H new TER 1087 ASN A 72