USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 683 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 89 GLN : amide:sc= -0.491 K(o=-0.29,f=-1.1) USER MOD Set 1.2: A 90 GLN : amide:sc= 0.197 K(o=-0.29,f=-4.4!) USER MOD Set 2.1: A 57 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.91) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.0792 K(o=-1.2,f=-1.8) USER MOD Set 3.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.14) USER MOD Set 4.1: A 19 ASN : amide:sc= 0.995 K(o=2.2,f=-2.9!) USER MOD Set 4.2: A 31 GLN : amide:sc= 1.19 K(o=2.2,f=-0.66) USER MOD Single : A 17 HIS : no HD1:sc= -1.97! C(o=-2!,f=-6.4!) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.21) USER MOD Single : A 25 GLN : amide:sc= 1.19 K(o=1.2,f=-0.67) USER MOD Single : A 28 SER OG : rot -74:sc= 1.02 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.522! (180deg=0.314!) USER MOD Single : A 37 HIS : no HE2:sc= -1.86! C(o=-1.9!,f=-3.9!) USER MOD Single : A 38 THR OG1 : rot -160:sc= -2.26! USER MOD Single : A 41 SER OG : rot -103:sc= 0.897 USER MOD Single : A 42 LYS NZ :NH3+ 154:sc= 1.21 (180deg=1.03) USER MOD Single : A 44 MET CE :methyl -169:sc= -0.883 (180deg=-1.02) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 20:sc= -0.303 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 144:sc= -0.2 (180deg=-0.821) USER MOD Single : A 65 GLN : amide:sc= -0.0716 K(o=-0.072,f=-0.64) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 75 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.87) USER MOD Single : A 78 MET CE :methyl -161:sc= -0.0837 (180deg=-0.319) USER MOD Single : A 83 THR OG1 : rot 180:sc=0.000179 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0941 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 10.040 15.082 -1.188 1.00 10.00 N ATOM 2 CA ASP A 16 9.315 14.898 0.064 1.00 10.00 C ATOM 3 C ASP A 16 8.322 13.753 -0.058 1.00 10.00 C ATOM 4 O ASP A 16 8.065 13.254 -1.158 1.00 10.00 O ATOM 5 CB ASP A 16 8.569 16.176 0.458 1.00 10.00 C ATOM 6 CG ASP A 16 9.476 17.232 1.059 1.00 10.00 C ATOM 7 OD1 ASP A 16 9.919 17.058 2.216 1.00 10.00 O ATOM 8 OD2 ASP A 16 9.738 18.251 0.388 1.00 10.00 O ATOM 0 HA ASP A 16 10.045 14.662 0.838 1.00 10.00 H new ATOM 0 HB2 ASP A 16 8.075 16.588 -0.422 1.00 10.00 H new ATOM 0 HB3 ASP A 16 7.787 15.927 1.175 1.00 10.00 H new ATOM 13 N HIS A 17 7.774 13.328 1.073 1.00 10.00 N ATOM 14 CA HIS A 17 6.798 12.250 1.091 1.00 10.00 C ATOM 15 C HIS A 17 5.419 12.784 0.732 1.00 10.00 C ATOM 16 O HIS A 17 5.044 13.890 1.134 1.00 10.00 O ATOM 17 CB HIS A 17 6.743 11.585 2.471 1.00 10.00 C ATOM 18 CG HIS A 17 7.876 10.644 2.758 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.948 11.026 3.532 1.00 10.00 N ATOM 20 CD2 HIS A 17 8.048 9.355 2.375 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.739 9.969 3.607 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.234 8.935 2.922 1.00 10.00 N ATOM 0 H HIS A 17 7.991 13.716 1.991 1.00 10.00 H new ATOM 0 HA HIS A 17 7.104 11.507 0.355 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.732 12.363 3.234 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.804 11.039 2.559 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.380 8.771 1.758 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.672 9.943 4.151 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.652 8.010 2.825 1.00 10.00 H new ATOM 30 N ILE A 18 4.672 12.007 -0.029 1.00 10.00 N ATOM 31 CA ILE A 18 3.333 12.387 -0.429 1.00 10.00 C ATOM 32 C ILE A 18 2.324 11.514 0.310 1.00 10.00 C ATOM 33 O ILE A 18 2.453 10.285 0.340 1.00 10.00 O ATOM 34 CB ILE A 18 3.138 12.283 -1.965 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.719 12.697 -2.361 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.445 10.877 -2.469 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.488 12.700 -3.857 1.00 10.00 C ATOM 0 H ILE A 18 4.975 11.100 -0.385 1.00 10.00 H new ATOM 0 HA ILE A 18 3.174 13.432 -0.164 1.00 10.00 H new ATOM 0 HB ILE A 18 3.843 12.969 -2.435 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.007 12.018 -1.892 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.516 13.693 -1.968 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.299 10.837 -3.548 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.479 10.624 -2.233 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.777 10.164 -1.986 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.462 13.003 -4.066 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.177 13.400 -4.330 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.659 11.699 -4.254 1.00 10.00 H new ATOM 49 N ASN A 19 1.349 12.145 0.944 1.00 10.00 N ATOM 50 CA ASN A 19 0.346 11.411 1.700 1.00 10.00 C ATOM 51 C ASN A 19 -0.930 11.248 0.894 1.00 10.00 C ATOM 52 O ASN A 19 -1.692 12.194 0.714 1.00 10.00 O ATOM 53 CB ASN A 19 0.047 12.108 3.030 1.00 10.00 C ATOM 54 CG ASN A 19 1.088 11.797 4.090 1.00 10.00 C ATOM 55 OD1 ASN A 19 0.975 10.816 4.825 1.00 10.00 O ATOM 56 ND2 ASN A 19 2.106 12.637 4.178 1.00 10.00 N ATOM 0 H ASN A 19 1.230 13.158 0.951 1.00 10.00 H new ATOM 0 HA ASN A 19 0.749 10.420 1.911 1.00 10.00 H new ATOM 0 HB2 ASN A 19 0.004 13.186 2.871 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -0.935 11.799 3.387 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.835 12.483 4.875 1.00 10.00 H new ATOM 0 HD22 ASN A 19 2.162 13.438 3.549 1.00 10.00 H new ATOM 63 N LEU A 20 -1.148 10.041 0.405 1.00 10.00 N ATOM 64 CA LEU A 20 -2.332 9.733 -0.381 1.00 10.00 C ATOM 65 C LEU A 20 -3.414 9.146 0.516 1.00 10.00 C ATOM 66 O LEU A 20 -3.116 8.596 1.576 1.00 10.00 O ATOM 67 CB LEU A 20 -1.972 8.758 -1.504 1.00 10.00 C ATOM 68 CG LEU A 20 -0.913 9.275 -2.481 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.366 8.141 -3.332 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.492 10.371 -3.361 1.00 10.00 C ATOM 0 H LEU A 20 -0.516 9.252 0.539 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.716 10.650 -0.828 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.615 7.829 -1.060 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.877 8.518 -2.063 1.00 10.00 H new ATOM 0 HG LEU A 20 -0.090 9.694 -1.903 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.385 8.531 -4.019 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.088 7.389 -2.687 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -1.178 7.689 -3.901 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.726 10.727 -4.050 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -2.334 9.975 -3.928 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.832 11.198 -2.737 1.00 10.00 H new ATOM 82 N LYS A 21 -4.666 9.267 0.100 1.00 10.00 N ATOM 83 CA LYS A 21 -5.778 8.754 0.889 1.00 10.00 C ATOM 84 C LYS A 21 -6.544 7.683 0.131 1.00 10.00 C ATOM 85 O LYS A 21 -7.057 7.925 -0.958 1.00 10.00 O ATOM 86 CB LYS A 21 -6.733 9.885 1.274 1.00 10.00 C ATOM 87 CG LYS A 21 -6.104 10.952 2.149 1.00 10.00 C ATOM 88 CD LYS A 21 -7.111 12.030 2.504 1.00 10.00 C ATOM 89 CE LYS A 21 -6.438 13.233 3.138 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.393 14.343 3.387 1.00 10.00 N ATOM 0 H LYS A 21 -4.938 9.714 -0.776 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.360 8.311 1.793 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.112 10.352 0.365 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.591 9.461 1.796 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.717 10.497 3.061 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.256 11.399 1.630 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.644 12.341 1.606 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.854 11.624 3.190 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -5.976 12.935 4.079 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.637 13.584 2.487 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.881 15.162 3.773 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -7.853 14.612 2.494 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.115 14.033 4.068 1.00 10.00 H new ATOM 104 N VAL A 22 -6.606 6.498 0.708 1.00 10.00 N ATOM 105 CA VAL A 22 -7.335 5.393 0.108 1.00 10.00 C ATOM 106 C VAL A 22 -8.778 5.418 0.598 1.00 10.00 C ATOM 107 O VAL A 22 -9.025 5.512 1.802 1.00 10.00 O ATOM 108 CB VAL A 22 -6.685 4.040 0.462 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.492 2.874 -0.089 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.255 3.988 -0.051 1.00 10.00 C ATOM 0 H VAL A 22 -6.158 6.274 1.597 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.308 5.506 -0.976 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.672 3.950 1.548 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.006 1.936 0.179 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.497 2.895 0.333 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.553 2.954 -1.174 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.811 3.027 0.207 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.252 4.110 -1.134 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.675 4.790 0.406 1.00 10.00 H new ATOM 120 N ALA A 23 -9.720 5.365 -0.332 1.00 10.00 N ATOM 121 CA ALA A 23 -11.133 5.397 0.015 1.00 10.00 C ATOM 122 C ALA A 23 -11.768 4.018 -0.107 1.00 10.00 C ATOM 123 O ALA A 23 -11.931 3.489 -1.211 1.00 10.00 O ATOM 124 CB ALA A 23 -11.870 6.397 -0.862 1.00 10.00 C ATOM 0 H ALA A 23 -9.532 5.300 -1.332 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.214 5.711 1.056 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.926 6.410 -0.591 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.446 7.390 -0.717 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.768 6.108 -1.908 1.00 10.00 H new ATOM 130 N GLY A 24 -12.119 3.441 1.034 1.00 10.00 N ATOM 131 CA GLY A 24 -12.741 2.130 1.050 1.00 10.00 C ATOM 132 C GLY A 24 -14.236 2.202 0.805 1.00 10.00 C ATOM 133 O GLY A 24 -14.854 3.251 0.990 1.00 10.00 O ATOM 0 H GLY A 24 -11.984 3.859 1.954 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.280 1.502 0.288 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.555 1.653 2.012 1.00 10.00 H new ATOM 137 N GLN A 25 -14.823 1.075 0.421 1.00 10.00 N ATOM 138 CA GLN A 25 -16.255 1.002 0.136 1.00 10.00 C ATOM 139 C GLN A 25 -17.075 0.956 1.426 1.00 10.00 C ATOM 140 O GLN A 25 -18.305 0.941 1.400 1.00 10.00 O ATOM 141 CB GLN A 25 -16.560 -0.234 -0.712 1.00 10.00 C ATOM 142 CG GLN A 25 -15.909 -0.209 -2.086 1.00 10.00 C ATOM 143 CD GLN A 25 -16.362 0.968 -2.931 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.481 1.460 -2.789 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.491 1.434 -3.809 1.00 10.00 N ATOM 0 H GLN A 25 -14.327 0.192 0.298 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.533 1.900 -0.416 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.225 -1.122 -0.177 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.640 -0.323 -0.833 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -14.826 -0.171 -1.969 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.141 -1.137 -2.610 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.573 0.999 -3.897 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.737 2.229 -4.399 1.00 10.00 H new ATOM 154 N ASP A 26 -16.384 0.916 2.550 1.00 10.00 N ATOM 155 CA ASP A 26 -17.029 0.876 3.854 1.00 10.00 C ATOM 156 C ASP A 26 -16.857 2.210 4.573 1.00 10.00 C ATOM 157 O ASP A 26 -17.178 2.340 5.755 1.00 10.00 O ATOM 158 CB ASP A 26 -16.450 -0.263 4.697 1.00 10.00 C ATOM 159 CG ASP A 26 -14.972 -0.085 4.986 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.211 0.242 4.049 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.563 -0.270 6.147 1.00 10.00 O ATOM 0 H ASP A 26 -15.365 0.910 2.588 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.094 0.696 3.710 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.995 -0.326 5.639 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.603 -1.209 4.177 1.00 10.00 H new ATOM 166 N GLY A 27 -16.332 3.195 3.853 1.00 10.00 N ATOM 167 CA GLY A 27 -16.140 4.515 4.424 1.00 10.00 C ATOM 168 C GLY A 27 -14.809 4.674 5.135 1.00 10.00 C ATOM 169 O GLY A 27 -14.519 5.737 5.678 1.00 10.00 O ATOM 0 H GLY A 27 -16.035 3.102 2.882 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -16.212 5.260 3.632 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.947 4.720 5.128 1.00 10.00 H new ATOM 173 N SER A 28 -13.996 3.627 5.134 1.00 10.00 N ATOM 174 CA SER A 28 -12.694 3.675 5.788 1.00 10.00 C ATOM 175 C SER A 28 -11.712 4.526 4.979 1.00 10.00 C ATOM 176 O SER A 28 -11.891 4.719 3.770 1.00 10.00 O ATOM 177 CB SER A 28 -12.141 2.257 5.967 1.00 10.00 C ATOM 178 OG SER A 28 -12.118 1.557 4.734 1.00 10.00 O ATOM 0 H SER A 28 -14.213 2.735 4.689 1.00 10.00 H new ATOM 0 HA SER A 28 -12.819 4.134 6.769 1.00 10.00 H new ATOM 0 HB2 SER A 28 -11.133 2.306 6.379 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.753 1.713 6.686 1.00 10.00 H new ATOM 0 HG SER A 28 -13.030 1.291 4.492 1.00 10.00 H new ATOM 184 N VAL A 29 -10.692 5.049 5.648 1.00 10.00 N ATOM 185 CA VAL A 29 -9.688 5.865 4.987 1.00 10.00 C ATOM 186 C VAL A 29 -8.291 5.441 5.433 1.00 10.00 C ATOM 187 O VAL A 29 -8.042 5.215 6.622 1.00 10.00 O ATOM 188 CB VAL A 29 -9.900 7.377 5.261 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.729 7.702 6.736 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.959 8.221 4.412 1.00 10.00 C ATOM 0 H VAL A 29 -10.540 4.921 6.649 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.790 5.708 3.913 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.925 7.621 4.982 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.884 8.769 6.894 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.458 7.139 7.319 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.722 7.431 7.054 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.127 9.277 4.623 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.926 7.964 4.648 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -9.149 8.027 3.356 1.00 10.00 H new ATOM 200 N VAL A 30 -7.396 5.290 4.471 1.00 10.00 N ATOM 201 CA VAL A 30 -6.030 4.893 4.768 1.00 10.00 C ATOM 202 C VAL A 30 -5.046 5.922 4.233 1.00 10.00 C ATOM 203 O VAL A 30 -5.070 6.266 3.051 1.00 10.00 O ATOM 204 CB VAL A 30 -5.700 3.502 4.186 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.266 3.098 4.493 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.672 2.461 4.718 1.00 10.00 C ATOM 0 H VAL A 30 -7.590 5.436 3.480 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.938 4.837 5.853 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.805 3.559 3.103 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.067 2.114 4.069 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.582 3.826 4.057 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.121 3.064 5.573 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.426 1.486 4.298 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.599 2.417 5.805 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.688 2.733 4.433 1.00 10.00 H new ATOM 216 N GLN A 31 -4.201 6.412 5.123 1.00 10.00 N ATOM 217 CA GLN A 31 -3.189 7.396 4.790 1.00 10.00 C ATOM 218 C GLN A 31 -1.931 6.685 4.303 1.00 10.00 C ATOM 219 O GLN A 31 -1.244 6.010 5.077 1.00 10.00 O ATOM 220 CB GLN A 31 -2.887 8.254 6.023 1.00 10.00 C ATOM 221 CG GLN A 31 -2.111 9.528 5.727 1.00 10.00 C ATOM 222 CD GLN A 31 -1.849 10.346 6.979 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.626 10.314 7.935 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.750 11.082 6.985 1.00 10.00 N ATOM 0 H GLN A 31 -4.199 6.135 6.105 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.550 8.047 3.994 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -3.828 8.520 6.505 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.321 7.656 6.737 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.161 9.272 5.258 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.668 10.132 5.011 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.132 11.082 6.174 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.521 11.650 7.801 1.00 10.00 H new ATOM 233 N PHE A 32 -1.650 6.818 3.021 1.00 10.00 N ATOM 234 CA PHE A 32 -0.489 6.182 2.424 1.00 10.00 C ATOM 235 C PHE A 32 0.667 7.159 2.300 1.00 10.00 C ATOM 236 O PHE A 32 0.663 8.043 1.443 1.00 10.00 O ATOM 237 CB PHE A 32 -0.843 5.615 1.048 1.00 10.00 C ATOM 238 CG PHE A 32 -0.995 4.119 1.035 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.167 3.523 1.464 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.039 3.310 0.591 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.307 2.148 1.450 1.00 10.00 C ATOM 242 CE2 PHE A 32 -0.096 1.936 0.576 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.269 1.354 1.005 1.00 10.00 C ATOM 0 H PHE A 32 -2.213 7.364 2.369 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.180 5.367 3.078 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.773 6.069 0.705 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.068 5.899 0.337 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.982 4.139 1.814 1.00 10.00 H new ATOM 0 HD2 PHE A 32 0.961 3.760 0.253 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.228 1.695 1.787 1.00 10.00 H new ATOM 0 HE2 PHE A 32 0.718 1.317 0.228 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.376 0.279 0.993 1.00 10.00 H new ATOM 253 N LYS A 33 1.645 6.998 3.175 1.00 10.00 N ATOM 254 CA LYS A 33 2.830 7.834 3.169 1.00 10.00 C ATOM 255 C LYS A 33 3.885 7.202 2.264 1.00 10.00 C ATOM 256 O LYS A 33 4.557 6.244 2.652 1.00 10.00 O ATOM 257 CB LYS A 33 3.361 8.002 4.599 1.00 10.00 C ATOM 258 CG LYS A 33 4.642 8.814 4.699 1.00 10.00 C ATOM 259 CD LYS A 33 4.991 9.126 6.144 1.00 10.00 C ATOM 260 CE LYS A 33 6.377 9.738 6.264 1.00 10.00 C ATOM 261 NZ LYS A 33 6.719 10.086 7.670 1.00 10.00 N ATOM 0 H LYS A 33 1.639 6.287 3.906 1.00 10.00 H new ATOM 0 HA LYS A 33 2.583 8.823 2.784 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.593 8.481 5.205 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.536 7.015 5.028 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.461 8.263 4.237 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.529 9.744 4.142 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.252 9.813 6.557 1.00 10.00 H new ATOM 0 HD3 LYS A 33 4.943 8.212 6.736 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.116 9.038 5.875 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.431 10.634 5.646 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 7.672 10.500 7.703 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.030 10.774 8.035 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 6.694 9.227 8.256 1.00 10.00 H new ATOM 275 N ILE A 34 3.988 7.705 1.042 1.00 10.00 N ATOM 276 CA ILE A 34 4.944 7.181 0.070 1.00 10.00 C ATOM 277 C ILE A 34 5.703 8.332 -0.586 1.00 10.00 C ATOM 278 O ILE A 34 5.309 9.483 -0.452 1.00 10.00 O ATOM 279 CB ILE A 34 4.232 6.301 -1.010 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.197 6.978 -2.383 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.807 5.965 -0.586 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.627 6.100 -3.475 1.00 10.00 C ATOM 0 H ILE A 34 3.420 8.479 0.697 1.00 10.00 H new ATOM 0 HA ILE A 34 5.654 6.543 0.597 1.00 10.00 H new ATOM 0 HB ILE A 34 4.818 5.386 -1.094 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.604 7.890 -2.314 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.209 7.276 -2.658 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.334 5.353 -1.354 1.00 10.00 H new ATOM 0 HG22 ILE A 34 2.827 5.415 0.355 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.239 6.886 -0.456 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.633 6.644 -4.420 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.233 5.199 -3.571 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.604 5.823 -3.222 1.00 10.00 H new ATOM 294 N LYS A 35 6.803 8.037 -1.260 1.00 10.00 N ATOM 295 CA LYS A 35 7.571 9.078 -1.933 1.00 10.00 C ATOM 296 C LYS A 35 7.076 9.248 -3.364 1.00 10.00 C ATOM 297 O LYS A 35 6.471 8.341 -3.928 1.00 10.00 O ATOM 298 CB LYS A 35 9.060 8.748 -1.929 1.00 10.00 C ATOM 299 CG LYS A 35 9.767 9.172 -0.657 1.00 10.00 C ATOM 300 CD LYS A 35 10.929 8.255 -0.345 1.00 10.00 C ATOM 301 CE LYS A 35 11.797 8.817 0.760 1.00 10.00 C ATOM 302 NZ LYS A 35 12.704 7.788 1.321 1.00 10.00 N ATOM 0 H LYS A 35 7.183 7.095 -1.357 1.00 10.00 H new ATOM 0 HA LYS A 35 7.429 10.013 -1.391 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.187 7.674 -2.066 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.535 9.236 -2.780 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.126 10.196 -0.762 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.062 9.165 0.174 1.00 10.00 H new ATOM 0 HD2 LYS A 35 10.552 7.275 -0.051 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.530 8.109 -1.243 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.385 9.649 0.373 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.164 9.216 1.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 13.363 8.234 1.990 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 12.144 7.065 1.817 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.242 7.342 0.551 1.00 10.00 H new ATOM 316 N ARG A 36 7.354 10.397 -3.959 1.00 10.00 N ATOM 317 CA ARG A 36 6.907 10.674 -5.317 1.00 10.00 C ATOM 318 C ARG A 36 7.625 9.791 -6.335 1.00 10.00 C ATOM 319 O ARG A 36 7.132 9.587 -7.446 1.00 10.00 O ATOM 320 CB ARG A 36 7.100 12.153 -5.646 1.00 10.00 C ATOM 321 CG ARG A 36 6.204 13.061 -4.820 1.00 10.00 C ATOM 322 CD ARG A 36 6.292 14.508 -5.271 1.00 10.00 C ATOM 323 NE ARG A 36 5.883 14.675 -6.664 1.00 10.00 N ATOM 324 CZ ARG A 36 4.624 14.864 -7.060 1.00 10.00 C ATOM 325 NH1 ARG A 36 3.638 14.918 -6.171 1.00 10.00 N ATOM 326 NH2 ARG A 36 4.355 15.008 -8.350 1.00 10.00 N ATOM 0 H ARG A 36 7.886 11.152 -3.525 1.00 10.00 H new ATOM 0 HA ARG A 36 5.844 10.439 -5.376 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.142 12.426 -5.476 1.00 10.00 H new ATOM 0 HB3 ARG A 36 6.897 12.315 -6.705 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.172 12.719 -4.897 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.486 12.991 -3.769 1.00 10.00 H new ATOM 0 HD2 ARG A 36 5.661 15.126 -4.632 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.315 14.864 -5.149 1.00 10.00 H new ATOM 0 HE ARG A 36 6.608 14.645 -7.380 1.00 10.00 H new ATOM 0 HH11 ARG A 36 3.841 14.815 -5.177 1.00 10.00 H new ATOM 0 HH12 ARG A 36 2.678 15.063 -6.483 1.00 10.00 H new ATOM 0 HH21 ARG A 36 5.110 14.974 -9.035 1.00 10.00 H new ATOM 0 HH22 ARG A 36 3.393 15.153 -8.657 1.00 10.00 H new ATOM 340 N HIS A 37 8.782 9.261 -5.951 1.00 10.00 N ATOM 341 CA HIS A 37 9.545 8.383 -6.833 1.00 10.00 C ATOM 342 C HIS A 37 9.207 6.919 -6.557 1.00 10.00 C ATOM 343 O HIS A 37 9.679 6.019 -7.253 1.00 10.00 O ATOM 344 CB HIS A 37 11.058 8.623 -6.676 1.00 10.00 C ATOM 345 CG HIS A 37 11.621 8.263 -5.327 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.843 6.956 -4.965 1.00 10.00 N ATOM 347 CD2 HIS A 37 12.017 9.072 -4.314 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.366 6.995 -3.751 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.488 8.255 -3.320 1.00 10.00 N ATOM 0 H HIS A 37 9.211 9.423 -5.040 1.00 10.00 H new ATOM 0 HA HIS A 37 9.268 8.616 -7.861 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.583 8.047 -7.438 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.266 9.675 -6.871 1.00 10.00 H new ATOM 0 HD1 HIS A 37 11.644 6.124 -5.520 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.970 10.151 -4.294 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.656 6.124 -3.182 1.00 10.00 H new ATOM 357 N THR A 38 8.376 6.690 -5.549 1.00 10.00 N ATOM 358 CA THR A 38 7.984 5.344 -5.170 1.00 10.00 C ATOM 359 C THR A 38 6.860 4.823 -6.065 1.00 10.00 C ATOM 360 O THR A 38 5.808 5.450 -6.173 1.00 10.00 O ATOM 361 CB THR A 38 7.525 5.311 -3.701 1.00 10.00 C ATOM 362 OG1 THR A 38 8.528 5.909 -2.871 1.00 10.00 O ATOM 363 CG2 THR A 38 7.267 3.888 -3.241 1.00 10.00 C ATOM 0 H THR A 38 7.960 7.425 -4.978 1.00 10.00 H new ATOM 0 HA THR A 38 8.855 4.700 -5.293 1.00 10.00 H new ATOM 0 HB THR A 38 6.594 5.872 -3.620 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.403 5.616 -1.944 1.00 10.00 H new ATOM 0 HG21 THR A 38 6.944 3.895 -2.200 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.488 3.441 -3.859 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.183 3.304 -3.333 1.00 10.00 H new ATOM 371 N PRO A 39 7.083 3.678 -6.732 1.00 10.00 N ATOM 372 CA PRO A 39 6.081 3.066 -7.613 1.00 10.00 C ATOM 373 C PRO A 39 4.779 2.760 -6.877 1.00 10.00 C ATOM 374 O PRO A 39 4.795 2.261 -5.746 1.00 10.00 O ATOM 375 CB PRO A 39 6.750 1.764 -8.070 1.00 10.00 C ATOM 376 CG PRO A 39 8.208 1.992 -7.883 1.00 10.00 C ATOM 377 CD PRO A 39 8.334 2.900 -6.695 1.00 10.00 C ATOM 0 HA PRO A 39 5.803 3.728 -8.433 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.405 0.915 -7.480 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.516 1.545 -9.112 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.732 1.051 -7.713 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.649 2.446 -8.770 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.431 2.337 -5.767 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.211 3.543 -6.771 1.00 10.00 H new ATOM 385 N LEU A 40 3.653 3.041 -7.527 1.00 10.00 N ATOM 386 CA LEU A 40 2.340 2.800 -6.934 1.00 10.00 C ATOM 387 C LEU A 40 2.028 1.308 -6.889 1.00 10.00 C ATOM 388 O LEU A 40 1.007 0.891 -6.340 1.00 10.00 O ATOM 389 CB LEU A 40 1.249 3.540 -7.712 1.00 10.00 C ATOM 390 CG LEU A 40 1.332 5.065 -7.659 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.384 5.688 -8.672 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.019 5.568 -6.258 1.00 10.00 C ATOM 0 H LEU A 40 3.623 3.437 -8.467 1.00 10.00 H new ATOM 0 HA LEU A 40 2.361 3.181 -5.913 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.292 3.226 -8.755 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.277 3.231 -7.326 1.00 10.00 H new ATOM 0 HG LEU A 40 2.350 5.362 -7.913 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.458 6.774 -8.619 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.652 5.355 -9.674 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.638 5.382 -8.450 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.083 6.656 -6.239 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.012 5.259 -5.977 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.737 5.150 -5.553 1.00 10.00 H new ATOM 404 N SER A 41 2.914 0.514 -7.473 1.00 10.00 N ATOM 405 CA SER A 41 2.762 -0.930 -7.498 1.00 10.00 C ATOM 406 C SER A 41 2.674 -1.489 -6.075 1.00 10.00 C ATOM 407 O SER A 41 1.848 -2.358 -5.788 1.00 10.00 O ATOM 408 CB SER A 41 3.939 -1.543 -8.254 1.00 10.00 C ATOM 409 OG SER A 41 4.484 -0.604 -9.168 1.00 10.00 O ATOM 0 H SER A 41 3.755 0.853 -7.941 1.00 10.00 H new ATOM 0 HA SER A 41 1.835 -1.188 -8.010 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.707 -1.861 -7.548 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.611 -2.433 -8.790 1.00 10.00 H new ATOM 0 HG SER A 41 4.194 -0.827 -10.077 1.00 10.00 H new ATOM 415 N LYS A 42 3.510 -0.967 -5.173 1.00 10.00 N ATOM 416 CA LYS A 42 3.501 -1.419 -3.782 1.00 10.00 C ATOM 417 C LYS A 42 2.201 -0.994 -3.109 1.00 10.00 C ATOM 418 O LYS A 42 1.644 -1.719 -2.291 1.00 10.00 O ATOM 419 CB LYS A 42 4.681 -0.853 -2.976 1.00 10.00 C ATOM 420 CG LYS A 42 5.871 -0.389 -3.799 1.00 10.00 C ATOM 421 CD LYS A 42 6.901 0.324 -2.926 1.00 10.00 C ATOM 422 CE LYS A 42 7.600 -0.634 -1.967 1.00 10.00 C ATOM 423 NZ LYS A 42 8.483 -1.601 -2.675 1.00 10.00 N ATOM 0 H LYS A 42 4.194 -0.239 -5.379 1.00 10.00 H new ATOM 0 HA LYS A 42 3.591 -2.505 -3.799 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.323 -0.013 -2.381 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.021 -1.617 -2.276 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.335 -1.246 -4.288 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.532 0.282 -4.588 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.644 0.806 -3.562 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.409 1.112 -2.356 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.192 -0.061 -1.253 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.851 -1.182 -1.394 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.239 -1.915 -2.034 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.924 -2.423 -2.979 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.904 -1.141 -3.508 1.00 10.00 H new ATOM 437 N LEU A 43 1.724 0.184 -3.487 1.00 10.00 N ATOM 438 CA LEU A 43 0.497 0.754 -2.936 1.00 10.00 C ATOM 439 C LEU A 43 -0.708 -0.139 -3.223 1.00 10.00 C ATOM 440 O LEU A 43 -1.635 -0.221 -2.419 1.00 10.00 O ATOM 441 CB LEU A 43 0.285 2.155 -3.529 1.00 10.00 C ATOM 442 CG LEU A 43 -0.911 2.945 -2.992 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.514 4.390 -2.734 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.077 2.887 -3.966 1.00 10.00 C ATOM 0 H LEU A 43 2.176 0.774 -4.185 1.00 10.00 H new ATOM 0 HA LEU A 43 0.596 0.826 -1.853 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.188 2.740 -3.355 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.173 2.056 -4.609 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.226 2.492 -2.052 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.374 4.941 -2.352 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.291 4.421 -2.000 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.175 4.846 -3.664 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.916 3.455 -3.564 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.774 3.315 -4.922 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.378 1.850 -4.112 1.00 10.00 H new ATOM 456 N MET A 44 -0.678 -0.822 -4.358 1.00 10.00 N ATOM 457 CA MET A 44 -1.776 -1.697 -4.752 1.00 10.00 C ATOM 458 C MET A 44 -1.616 -3.101 -4.174 1.00 10.00 C ATOM 459 O MET A 44 -2.471 -3.962 -4.380 1.00 10.00 O ATOM 460 CB MET A 44 -1.870 -1.770 -6.278 1.00 10.00 C ATOM 461 CG MET A 44 -2.337 -0.476 -6.927 1.00 10.00 C ATOM 462 SD MET A 44 -2.519 -0.622 -8.716 1.00 10.00 S ATOM 463 CE MET A 44 -0.819 -0.903 -9.205 1.00 10.00 C ATOM 0 H MET A 44 0.094 -0.788 -5.023 1.00 10.00 H new ATOM 0 HA MET A 44 -2.696 -1.273 -4.350 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.892 -2.035 -6.681 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.556 -2.571 -6.553 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.291 -0.180 -6.492 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.624 0.317 -6.702 1.00 10.00 H new ATOM 0 HE1 MET A 44 -0.733 -0.819 -10.288 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.177 -0.160 -8.732 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.511 -1.901 -8.893 1.00 10.00 H new ATOM 473 N LYS A 45 -0.530 -3.333 -3.442 1.00 10.00 N ATOM 474 CA LYS A 45 -0.281 -4.648 -2.857 1.00 10.00 C ATOM 475 C LYS A 45 -0.218 -4.593 -1.329 1.00 10.00 C ATOM 476 O LYS A 45 -0.712 -5.493 -0.651 1.00 10.00 O ATOM 477 CB LYS A 45 1.010 -5.245 -3.423 1.00 10.00 C ATOM 478 CG LYS A 45 0.907 -5.607 -4.896 1.00 10.00 C ATOM 479 CD LYS A 45 2.163 -6.305 -5.401 1.00 10.00 C ATOM 480 CE LYS A 45 3.304 -5.325 -5.628 1.00 10.00 C ATOM 481 NZ LYS A 45 4.436 -5.951 -6.365 1.00 10.00 N ATOM 0 H LYS A 45 0.186 -2.635 -3.241 1.00 10.00 H new ATOM 0 HA LYS A 45 -1.120 -5.290 -3.125 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.823 -4.532 -3.287 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.270 -6.137 -2.854 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.045 -6.256 -5.051 1.00 10.00 H new ATOM 0 HG3 LYS A 45 0.735 -4.703 -5.480 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.472 -7.062 -4.680 1.00 10.00 H new ATOM 0 HD3 LYS A 45 1.940 -6.825 -6.333 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.938 -4.465 -6.188 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.659 -4.952 -4.667 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 5.193 -5.250 -6.499 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 4.803 -6.756 -5.819 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 4.104 -6.284 -7.293 1.00 10.00 H new ATOM 495 N ALA A 46 0.379 -3.531 -0.795 1.00 10.00 N ATOM 496 CA ALA A 46 0.518 -3.360 0.651 1.00 10.00 C ATOM 497 C ALA A 46 -0.834 -3.400 1.358 1.00 10.00 C ATOM 498 O ALA A 46 -1.005 -4.115 2.346 1.00 10.00 O ATOM 499 CB ALA A 46 1.237 -2.056 0.965 1.00 10.00 C ATOM 0 H ALA A 46 0.777 -2.770 -1.345 1.00 10.00 H new ATOM 0 HA ALA A 46 1.112 -4.194 1.024 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.332 -1.944 2.045 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.229 -2.069 0.513 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.666 -1.219 0.562 1.00 10.00 H new ATOM 505 N TYR A 47 -1.792 -2.640 0.843 1.00 10.00 N ATOM 506 CA TYR A 47 -3.122 -2.599 1.435 1.00 10.00 C ATOM 507 C TYR A 47 -3.820 -3.944 1.259 1.00 10.00 C ATOM 508 O TYR A 47 -4.522 -4.412 2.156 1.00 10.00 O ATOM 509 CB TYR A 47 -3.951 -1.476 0.810 1.00 10.00 C ATOM 510 CG TYR A 47 -5.280 -1.235 1.498 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.468 -1.251 0.780 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.343 -0.995 2.867 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.681 -1.033 1.406 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.553 -0.780 3.498 1.00 10.00 C ATOM 515 CZ TYR A 47 -7.718 -0.799 2.763 1.00 10.00 C ATOM 516 OH TYR A 47 -8.924 -0.577 3.387 1.00 10.00 O ATOM 0 H TYR A 47 -1.674 -2.047 0.022 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.023 -2.398 2.502 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.370 -0.554 0.832 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -4.134 -1.713 -0.238 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.444 -1.437 -0.284 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.431 -0.976 3.446 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.596 -1.046 0.833 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.585 -0.598 4.562 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.775 -0.430 4.344 1.00 10.00 H new ATOM 526 N CYS A 48 -3.601 -4.569 0.109 1.00 10.00 N ATOM 527 CA CYS A 48 -4.194 -5.866 -0.189 1.00 10.00 C ATOM 528 C CYS A 48 -3.720 -6.906 0.817 1.00 10.00 C ATOM 529 O CYS A 48 -4.482 -7.780 1.228 1.00 10.00 O ATOM 530 CB CYS A 48 -3.830 -6.309 -1.608 1.00 10.00 C ATOM 531 SG CYS A 48 -5.251 -6.565 -2.690 1.00 10.00 S ATOM 0 H CYS A 48 -3.013 -4.196 -0.636 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.278 -5.773 -0.119 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -3.178 -5.559 -2.055 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -3.258 -7.235 -1.552 1.00 10.00 H new ATOM 0 HG CYS A 48 -6.282 -5.935 -2.209 1.00 10.00 H new ATOM 537 N GLU A 49 -2.461 -6.789 1.221 1.00 10.00 N ATOM 538 CA GLU A 49 -1.872 -7.710 2.184 1.00 10.00 C ATOM 539 C GLU A 49 -2.549 -7.592 3.545 1.00 10.00 C ATOM 540 O GLU A 49 -2.705 -8.581 4.258 1.00 10.00 O ATOM 541 CB GLU A 49 -0.376 -7.449 2.317 1.00 10.00 C ATOM 542 CG GLU A 49 0.451 -8.246 1.328 1.00 10.00 C ATOM 543 CD GLU A 49 0.235 -9.740 1.467 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.650 -10.309 2.498 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.347 -10.353 0.547 1.00 10.00 O ATOM 0 H GLU A 49 -1.826 -6.061 0.894 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.025 -8.725 1.817 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.183 -6.386 2.171 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.058 -7.695 3.330 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.197 -7.938 0.314 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.507 -8.019 1.475 1.00 10.00 H new ATOM 552 N ARG A 50 -2.960 -6.380 3.893 1.00 10.00 N ATOM 553 CA ARG A 50 -3.628 -6.138 5.166 1.00 10.00 C ATOM 554 C ARG A 50 -5.076 -6.613 5.102 1.00 10.00 C ATOM 555 O ARG A 50 -5.624 -7.111 6.083 1.00 10.00 O ATOM 556 CB ARG A 50 -3.576 -4.652 5.532 1.00 10.00 C ATOM 557 CG ARG A 50 -2.183 -4.157 5.872 1.00 10.00 C ATOM 558 CD ARG A 50 -2.223 -2.785 6.519 1.00 10.00 C ATOM 559 NE ARG A 50 -0.887 -2.300 6.860 1.00 10.00 N ATOM 560 CZ ARG A 50 -0.651 -1.283 7.693 1.00 10.00 C ATOM 561 NH1 ARG A 50 -1.658 -0.637 8.270 1.00 10.00 N ATOM 562 NH2 ARG A 50 0.594 -0.905 7.947 1.00 10.00 N ATOM 0 H ARG A 50 -2.843 -5.549 3.313 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.105 -6.702 5.939 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.967 -4.068 4.699 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.233 -4.473 6.383 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.699 -4.864 6.546 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.579 -4.116 4.966 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.703 -2.079 5.841 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.834 -2.827 7.421 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.086 -2.767 6.436 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -2.620 -0.917 8.078 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -1.469 0.139 8.905 1.00 10.00 H new ATOM 0 HH21 ARG A 50 1.375 -1.391 7.506 1.00 10.00 H new ATOM 0 HH22 ARG A 50 0.771 -0.128 8.584 1.00 10.00 H new ATOM 576 N GLN A 51 -5.682 -6.467 3.933 1.00 10.00 N ATOM 577 CA GLN A 51 -7.065 -6.880 3.730 1.00 10.00 C ATOM 578 C GLN A 51 -7.160 -8.391 3.560 1.00 10.00 C ATOM 579 O GLN A 51 -8.198 -8.992 3.839 1.00 10.00 O ATOM 580 CB GLN A 51 -7.653 -6.185 2.498 1.00 10.00 C ATOM 581 CG GLN A 51 -7.647 -4.669 2.591 1.00 10.00 C ATOM 582 CD GLN A 51 -8.507 -4.147 3.725 1.00 10.00 C ATOM 583 OE1 GLN A 51 -8.046 -4.017 4.859 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.760 -3.839 3.429 1.00 10.00 N ATOM 0 H GLN A 51 -5.237 -6.065 3.108 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.636 -6.591 4.612 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.088 -6.488 1.617 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.678 -6.527 2.353 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.623 -4.322 2.728 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.002 -4.250 1.649 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.104 -3.961 2.477 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.382 -3.479 4.153 1.00 10.00 H new ATOM 593 N GLY A 52 -6.070 -8.993 3.101 1.00 10.00 N ATOM 594 CA GLY A 52 -6.043 -10.423 2.882 1.00 10.00 C ATOM 595 C GLY A 52 -6.685 -10.783 1.564 1.00 10.00 C ATOM 596 O GLY A 52 -7.317 -11.832 1.429 1.00 10.00 O ATOM 0 H GLY A 52 -5.200 -8.511 2.876 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.012 -10.777 2.897 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.565 -10.928 3.694 1.00 10.00 H new ATOM 600 N LEU A 53 -6.517 -9.908 0.586 1.00 10.00 N ATOM 601 CA LEU A 53 -7.097 -10.110 -0.732 1.00 10.00 C ATOM 602 C LEU A 53 -6.009 -10.151 -1.797 1.00 10.00 C ATOM 603 O LEU A 53 -4.837 -9.886 -1.517 1.00 10.00 O ATOM 604 CB LEU A 53 -8.091 -8.985 -1.058 1.00 10.00 C ATOM 605 CG LEU A 53 -9.171 -8.729 -0.003 1.00 10.00 C ATOM 606 CD1 LEU A 53 -9.965 -7.481 -0.350 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.096 -9.927 0.119 1.00 10.00 C ATOM 0 H LEU A 53 -5.980 -9.046 0.681 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.624 -11.064 -0.726 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.531 -8.062 -1.210 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.580 -9.220 -2.003 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.681 -8.574 0.958 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -10.729 -7.313 0.409 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.295 -6.622 -0.387 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.442 -7.612 -1.321 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.856 -9.725 0.874 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.578 -10.114 -0.841 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.519 -10.804 0.412 1.00 10.00 H new ATOM 619 N SER A 54 -6.406 -10.484 -3.013 1.00 10.00 N ATOM 620 CA SER A 54 -5.484 -10.545 -4.128 1.00 10.00 C ATOM 621 C SER A 54 -5.553 -9.239 -4.911 1.00 10.00 C ATOM 622 O SER A 54 -6.625 -8.641 -5.030 1.00 10.00 O ATOM 623 CB SER A 54 -5.830 -11.732 -5.031 1.00 10.00 C ATOM 624 OG SER A 54 -4.990 -11.783 -6.170 1.00 10.00 O ATOM 0 H SER A 54 -7.370 -10.718 -3.252 1.00 10.00 H new ATOM 0 HA SER A 54 -4.469 -10.683 -3.755 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.735 -12.659 -4.466 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.870 -11.657 -5.348 1.00 10.00 H new ATOM 0 HG SER A 54 -5.236 -12.553 -6.724 1.00 10.00 H new ATOM 630 N MET A 55 -4.421 -8.796 -5.440 1.00 10.00 N ATOM 631 CA MET A 55 -4.373 -7.555 -6.209 1.00 10.00 C ATOM 632 C MET A 55 -5.243 -7.662 -7.463 1.00 10.00 C ATOM 633 O MET A 55 -5.758 -6.664 -7.963 1.00 10.00 O ATOM 634 CB MET A 55 -2.931 -7.214 -6.595 1.00 10.00 C ATOM 635 CG MET A 55 -2.800 -5.914 -7.376 1.00 10.00 C ATOM 636 SD MET A 55 -1.095 -5.523 -7.811 1.00 10.00 S ATOM 637 CE MET A 55 -0.642 -6.973 -8.759 1.00 10.00 C ATOM 0 H MET A 55 -3.524 -9.274 -5.353 1.00 10.00 H new ATOM 0 HA MET A 55 -4.764 -6.754 -5.582 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.328 -7.146 -5.690 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.521 -8.029 -7.191 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.395 -5.982 -8.287 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.215 -5.098 -6.784 1.00 10.00 H new ATOM 0 HE1 MET A 55 0.019 -6.682 -9.575 1.00 10.00 H new ATOM 0 HE2 MET A 55 -0.129 -7.685 -8.112 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.540 -7.436 -9.167 1.00 10.00 H new ATOM 647 N ARG A 56 -5.425 -8.884 -7.948 1.00 10.00 N ATOM 648 CA ARG A 56 -6.231 -9.125 -9.140 1.00 10.00 C ATOM 649 C ARG A 56 -7.715 -9.231 -8.779 1.00 10.00 C ATOM 650 O ARG A 56 -8.580 -9.271 -9.655 1.00 10.00 O ATOM 651 CB ARG A 56 -5.757 -10.404 -9.836 1.00 10.00 C ATOM 652 CG ARG A 56 -6.268 -10.559 -11.261 1.00 10.00 C ATOM 653 CD ARG A 56 -5.701 -11.806 -11.924 1.00 10.00 C ATOM 654 NE ARG A 56 -6.324 -12.068 -13.219 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.829 -12.898 -14.135 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.698 -13.555 -13.907 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.460 -13.061 -15.290 1.00 10.00 N ATOM 0 H ARG A 56 -5.025 -9.726 -7.534 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.109 -8.283 -9.821 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.667 -10.416 -9.848 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.079 -11.265 -9.250 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.357 -10.612 -11.255 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -5.995 -9.679 -11.844 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.625 -11.689 -12.056 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -5.850 -12.665 -11.269 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.195 -11.584 -13.436 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -4.202 -13.426 -13.025 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -4.325 -14.189 -14.614 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -7.323 -12.551 -15.476 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.082 -13.697 -15.993 1.00 10.00 H new ATOM 671 N GLN A 57 -8.005 -9.243 -7.482 1.00 10.00 N ATOM 672 CA GLN A 57 -9.379 -9.355 -7.001 1.00 10.00 C ATOM 673 C GLN A 57 -10.044 -7.983 -6.920 1.00 10.00 C ATOM 674 O GLN A 57 -11.271 -7.873 -6.927 1.00 10.00 O ATOM 675 CB GLN A 57 -9.395 -10.028 -5.624 1.00 10.00 C ATOM 676 CG GLN A 57 -10.790 -10.310 -5.087 1.00 10.00 C ATOM 677 CD GLN A 57 -10.781 -10.698 -3.623 1.00 10.00 C ATOM 678 OE1 GLN A 57 -9.804 -11.255 -3.119 1.00 10.00 O ATOM 679 NE2 GLN A 57 -11.867 -10.400 -2.923 1.00 10.00 N ATOM 0 H GLN A 57 -7.305 -9.176 -6.743 1.00 10.00 H new ATOM 0 HA GLN A 57 -9.942 -9.965 -7.708 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -8.844 -10.966 -5.684 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -8.866 -9.392 -4.914 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.413 -9.426 -5.221 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.245 -11.112 -5.669 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.655 -9.939 -3.377 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -11.914 -10.632 -1.931 1.00 10.00 H new ATOM 688 N ILE A 58 -9.231 -6.939 -6.853 1.00 10.00 N ATOM 689 CA ILE A 58 -9.748 -5.581 -6.766 1.00 10.00 C ATOM 690 C ILE A 58 -9.203 -4.721 -7.899 1.00 10.00 C ATOM 691 O ILE A 58 -8.374 -5.174 -8.689 1.00 10.00 O ATOM 692 CB ILE A 58 -9.399 -4.923 -5.413 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.889 -4.965 -5.165 1.00 10.00 C ATOM 694 CG2 ILE A 58 -10.144 -5.617 -4.281 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.453 -4.188 -3.942 1.00 10.00 C ATOM 0 H ILE A 58 -8.213 -7.006 -6.857 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.833 -5.648 -6.850 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.710 -3.879 -5.447 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.576 -6.003 -5.056 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.375 -4.567 -6.040 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.889 -5.143 -3.333 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -11.218 -5.537 -4.449 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.859 -6.669 -4.249 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -6.371 -4.263 -3.830 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.734 -3.141 -4.057 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.939 -4.599 -3.057 1.00 10.00 H new ATOM 707 N ARG A 59 -9.682 -3.489 -7.985 1.00 10.00 N ATOM 708 CA ARG A 59 -9.242 -2.558 -9.015 1.00 10.00 C ATOM 709 C ARG A 59 -8.996 -1.180 -8.411 1.00 10.00 C ATOM 710 O ARG A 59 -9.768 -0.713 -7.572 1.00 10.00 O ATOM 711 CB ARG A 59 -10.278 -2.453 -10.140 1.00 10.00 C ATOM 712 CG ARG A 59 -10.400 -3.704 -10.997 1.00 10.00 C ATOM 713 CD ARG A 59 -9.072 -4.079 -11.640 1.00 10.00 C ATOM 714 NE ARG A 59 -9.206 -5.219 -12.550 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.103 -6.495 -12.175 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.856 -6.807 -10.910 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.243 -7.463 -13.073 1.00 10.00 N ATOM 0 H ARG A 59 -10.382 -3.108 -7.348 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.311 -2.938 -9.436 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.251 -2.230 -9.702 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.017 -1.611 -10.781 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.754 -4.532 -10.383 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.147 -3.541 -11.774 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.679 -3.222 -12.188 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.347 -4.319 -10.862 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.390 -5.025 -13.534 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.743 -6.069 -10.215 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.779 -7.785 -10.632 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.429 -7.231 -14.049 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.164 -8.439 -12.787 1.00 10.00 H new ATOM 731 N PHE A 60 -7.919 -0.539 -8.840 1.00 10.00 N ATOM 732 CA PHE A 60 -7.562 0.784 -8.348 1.00 10.00 C ATOM 733 C PHE A 60 -7.799 1.833 -9.426 1.00 10.00 C ATOM 734 O PHE A 60 -7.327 1.692 -10.556 1.00 10.00 O ATOM 735 CB PHE A 60 -6.098 0.813 -7.909 1.00 10.00 C ATOM 736 CG PHE A 60 -5.898 0.478 -6.462 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.931 -0.836 -6.030 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.671 1.480 -5.534 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.744 -1.144 -4.696 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.483 1.179 -4.200 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.519 -0.135 -3.780 1.00 10.00 C ATOM 0 H PHE A 60 -7.273 -0.917 -9.533 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.193 1.011 -7.489 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.531 0.109 -8.518 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.689 1.804 -8.104 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -6.105 -1.629 -6.743 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -5.641 2.510 -5.858 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.774 -2.173 -4.370 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.308 1.970 -3.486 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.372 -0.374 -2.737 1.00 10.00 H new ATOM 751 N ARG A 61 -8.531 2.881 -9.080 1.00 10.00 N ATOM 752 CA ARG A 61 -8.828 3.950 -10.026 1.00 10.00 C ATOM 753 C ARG A 61 -8.469 5.312 -9.442 1.00 10.00 C ATOM 754 O ARG A 61 -8.724 5.585 -8.269 1.00 10.00 O ATOM 755 CB ARG A 61 -10.308 3.933 -10.420 1.00 10.00 C ATOM 756 CG ARG A 61 -10.688 2.791 -11.354 1.00 10.00 C ATOM 757 CD ARG A 61 -12.142 2.890 -11.794 1.00 10.00 C ATOM 758 NE ARG A 61 -12.540 1.781 -12.663 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.763 1.638 -13.175 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.711 2.528 -12.906 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.040 0.595 -13.947 1.00 10.00 N ATOM 0 H ARG A 61 -8.931 3.016 -8.151 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.222 3.779 -10.916 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.913 3.866 -9.516 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.556 4.879 -10.900 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -10.040 2.805 -12.230 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.523 1.838 -10.851 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.785 2.907 -10.914 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -12.296 3.833 -12.319 1.00 10.00 H new ATOM 0 HE ARG A 61 -11.840 1.075 -12.891 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.506 3.326 -12.305 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.645 2.414 -13.300 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.318 -0.097 -14.148 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -14.975 0.485 -14.339 1.00 10.00 H new ATOM 775 N PHE A 62 -7.869 6.150 -10.274 1.00 10.00 N ATOM 776 CA PHE A 62 -7.478 7.496 -9.880 1.00 10.00 C ATOM 777 C PHE A 62 -7.931 8.475 -10.953 1.00 10.00 C ATOM 778 O PHE A 62 -7.669 8.256 -12.137 1.00 10.00 O ATOM 779 CB PHE A 62 -5.962 7.578 -9.691 1.00 10.00 C ATOM 780 CG PHE A 62 -5.467 8.955 -9.339 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.629 9.459 -8.060 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.840 9.743 -10.292 1.00 10.00 C ATOM 783 CE1 PHE A 62 -5.175 10.722 -7.736 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.385 11.009 -9.974 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.553 11.499 -8.693 1.00 10.00 C ATOM 0 H PHE A 62 -7.639 5.917 -11.240 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.951 7.749 -8.931 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.665 6.884 -8.905 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.473 7.250 -10.608 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.116 8.857 -7.307 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.706 9.363 -11.294 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.306 11.102 -6.734 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.899 11.614 -10.725 1.00 10.00 H new ATOM 0 HZ PHE A 62 -4.199 12.488 -8.441 1.00 10.00 H new ATOM 795 N ASP A 63 -8.638 9.527 -10.542 1.00 10.00 N ATOM 796 CA ASP A 63 -9.150 10.543 -11.469 1.00 10.00 C ATOM 797 C ASP A 63 -10.159 9.912 -12.430 1.00 10.00 C ATOM 798 O ASP A 63 -10.494 10.476 -13.470 1.00 10.00 O ATOM 799 CB ASP A 63 -7.999 11.202 -12.249 1.00 10.00 C ATOM 800 CG ASP A 63 -8.397 12.508 -12.916 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.687 13.487 -12.198 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.398 12.569 -14.163 1.00 10.00 O ATOM 0 H ASP A 63 -8.872 9.701 -9.565 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.652 11.319 -10.891 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.168 11.388 -11.569 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.640 10.508 -13.009 1.00 10.00 H new ATOM 807 N GLY A 64 -10.646 8.728 -12.063 1.00 10.00 N ATOM 808 CA GLY A 64 -11.606 8.026 -12.890 1.00 10.00 C ATOM 809 C GLY A 64 -10.948 7.015 -13.813 1.00 10.00 C ATOM 810 O GLY A 64 -11.632 6.214 -14.451 1.00 10.00 O ATOM 0 H GLY A 64 -10.389 8.243 -11.203 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.326 7.515 -12.251 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.164 8.748 -13.486 1.00 10.00 H new ATOM 814 N GLN A 65 -9.622 7.043 -13.876 1.00 10.00 N ATOM 815 CA GLN A 65 -8.877 6.131 -14.734 1.00 10.00 C ATOM 816 C GLN A 65 -8.171 5.055 -13.911 1.00 10.00 C ATOM 817 O GLN A 65 -7.632 5.340 -12.844 1.00 10.00 O ATOM 818 CB GLN A 65 -7.851 6.908 -15.563 1.00 10.00 C ATOM 819 CG GLN A 65 -8.481 7.891 -16.533 1.00 10.00 C ATOM 820 CD GLN A 65 -9.303 7.207 -17.607 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.000 6.087 -18.027 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.355 7.870 -18.053 1.00 10.00 N ATOM 0 H GLN A 65 -9.040 7.689 -13.342 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.585 5.642 -15.402 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -7.185 7.449 -14.890 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.236 6.202 -16.121 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -9.116 8.584 -15.981 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.697 8.484 -17.004 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.571 8.794 -17.680 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -10.951 7.458 -18.771 1.00 10.00 H new ATOM 831 N PRO A 66 -8.185 3.799 -14.385 1.00 10.00 N ATOM 832 CA PRO A 66 -7.530 2.686 -13.691 1.00 10.00 C ATOM 833 C PRO A 66 -6.011 2.855 -13.645 1.00 10.00 C ATOM 834 O PRO A 66 -5.374 3.145 -14.661 1.00 10.00 O ATOM 835 CB PRO A 66 -7.911 1.456 -14.528 1.00 10.00 C ATOM 836 CG PRO A 66 -9.050 1.892 -15.382 1.00 10.00 C ATOM 837 CD PRO A 66 -8.848 3.356 -15.622 1.00 10.00 C ATOM 0 HA PRO A 66 -7.845 2.614 -12.650 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -7.071 1.120 -15.136 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.197 0.620 -13.889 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -9.066 1.341 -16.322 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -10.003 1.705 -14.887 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -8.230 3.541 -16.501 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.793 3.874 -15.782 1.00 10.00 H new ATOM 845 N ILE A 67 -5.440 2.673 -12.462 1.00 10.00 N ATOM 846 CA ILE A 67 -4.001 2.806 -12.274 1.00 10.00 C ATOM 847 C ILE A 67 -3.279 1.542 -12.729 1.00 10.00 C ATOM 848 O ILE A 67 -3.709 0.430 -12.421 1.00 10.00 O ATOM 849 CB ILE A 67 -3.647 3.075 -10.792 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.524 4.191 -10.217 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.172 3.432 -10.652 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.358 4.384 -8.723 1.00 10.00 C ATOM 0 H ILE A 67 -5.954 2.432 -11.614 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.677 3.654 -12.877 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.839 2.164 -10.226 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.287 5.126 -10.724 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.569 3.968 -10.432 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -1.941 3.618 -9.603 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.562 2.606 -11.017 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -1.957 4.328 -11.235 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.009 5.190 -8.386 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.624 3.462 -8.205 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.321 4.638 -8.502 1.00 10.00 H new ATOM 864 N ASN A 68 -2.191 1.717 -13.465 1.00 10.00 N ATOM 865 CA ASN A 68 -1.404 0.592 -13.949 1.00 10.00 C ATOM 866 C ASN A 68 -0.349 0.207 -12.923 1.00 10.00 C ATOM 867 O ASN A 68 -0.149 0.910 -11.932 1.00 10.00 O ATOM 868 CB ASN A 68 -0.738 0.929 -15.286 1.00 10.00 C ATOM 869 CG ASN A 68 -1.661 0.697 -16.466 1.00 10.00 C ATOM 870 OD1 ASN A 68 -1.743 -0.411 -16.997 1.00 10.00 O ATOM 871 ND2 ASN A 68 -2.365 1.737 -16.884 1.00 10.00 N ATOM 0 H ASN A 68 -1.832 2.631 -13.741 1.00 10.00 H new ATOM 0 HA ASN A 68 -2.075 -0.253 -14.102 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.419 1.971 -15.277 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.159 0.322 -15.405 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -3.004 1.637 -17.673 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -2.269 2.639 -16.417 1.00 10.00 H new ATOM 878 N GLU A 69 0.338 -0.899 -13.172 1.00 10.00 N ATOM 879 CA GLU A 69 1.363 -1.390 -12.255 1.00 10.00 C ATOM 880 C GLU A 69 2.730 -0.769 -12.548 1.00 10.00 C ATOM 881 O GLU A 69 3.726 -1.108 -11.904 1.00 10.00 O ATOM 882 CB GLU A 69 1.456 -2.914 -12.347 1.00 10.00 C ATOM 883 CG GLU A 69 0.157 -3.626 -12.001 1.00 10.00 C ATOM 884 CD GLU A 69 0.144 -5.076 -12.445 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.136 -5.794 -12.195 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.861 -5.507 -13.048 1.00 10.00 O ATOM 0 H GLU A 69 0.205 -1.476 -14.003 1.00 10.00 H new ATOM 0 HA GLU A 69 1.073 -1.098 -11.246 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.754 -3.191 -13.358 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.241 -3.263 -11.676 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -0.001 -3.580 -10.924 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.676 -3.100 -12.469 1.00 10.00 H new ATOM 893 N THR A 70 2.777 0.144 -13.507 1.00 10.00 N ATOM 894 CA THR A 70 4.029 0.789 -13.883 1.00 10.00 C ATOM 895 C THR A 70 3.911 2.313 -13.847 1.00 10.00 C ATOM 896 O THR A 70 4.292 2.992 -14.799 1.00 10.00 O ATOM 897 CB THR A 70 4.464 0.349 -15.295 1.00 10.00 C ATOM 898 OG1 THR A 70 3.414 0.612 -16.238 1.00 10.00 O ATOM 899 CG2 THR A 70 4.808 -1.133 -15.319 1.00 10.00 C ATOM 0 H THR A 70 1.964 0.455 -14.039 1.00 10.00 H new ATOM 0 HA THR A 70 4.779 0.481 -13.155 1.00 10.00 H new ATOM 0 HB THR A 70 5.352 0.919 -15.569 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.700 0.331 -17.132 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.112 -1.420 -16.326 1.00 10.00 H new ATOM 0 HG22 THR A 70 5.625 -1.328 -14.624 1.00 10.00 H new ATOM 0 HG23 THR A 70 3.934 -1.714 -15.025 1.00 10.00 H new ATOM 907 N ASP A 71 3.385 2.851 -12.755 1.00 10.00 N ATOM 908 CA ASP A 71 3.221 4.300 -12.634 1.00 10.00 C ATOM 909 C ASP A 71 3.576 4.793 -11.237 1.00 10.00 C ATOM 910 O ASP A 71 3.413 4.070 -10.249 1.00 10.00 O ATOM 911 CB ASP A 71 1.786 4.715 -12.980 1.00 10.00 C ATOM 912 CG ASP A 71 1.588 4.966 -14.466 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.500 5.529 -15.109 1.00 10.00 O ATOM 914 OD2 ASP A 71 0.517 4.605 -15.000 1.00 10.00 O ATOM 0 H ASP A 71 3.067 2.316 -11.947 1.00 10.00 H new ATOM 0 HA ASP A 71 3.909 4.761 -13.343 1.00 10.00 H new ATOM 0 HB2 ASP A 71 1.098 3.935 -12.653 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.530 5.618 -12.426 1.00 10.00 H new ATOM 919 N THR A 72 4.069 6.023 -11.169 1.00 10.00 N ATOM 920 CA THR A 72 4.445 6.647 -9.910 1.00 10.00 C ATOM 921 C THR A 72 3.567 7.873 -9.650 1.00 10.00 C ATOM 922 O THR A 72 2.897 8.360 -10.564 1.00 10.00 O ATOM 923 CB THR A 72 5.924 7.088 -9.936 1.00 10.00 C ATOM 924 OG1 THR A 72 6.221 7.734 -11.177 1.00 10.00 O ATOM 925 CG2 THR A 72 6.849 5.900 -9.740 1.00 10.00 C ATOM 0 H THR A 72 4.219 6.615 -11.986 1.00 10.00 H new ATOM 0 HA THR A 72 4.305 5.914 -9.116 1.00 10.00 H new ATOM 0 HB THR A 72 6.084 7.788 -9.116 1.00 10.00 H new ATOM 0 HG1 THR A 72 7.161 8.012 -11.184 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.885 6.238 -9.762 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.641 5.432 -8.778 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.686 5.176 -10.539 1.00 10.00 H new ATOM 933 N PRO A 73 3.553 8.395 -8.407 1.00 10.00 N ATOM 934 CA PRO A 73 2.759 9.581 -8.066 1.00 10.00 C ATOM 935 C PRO A 73 3.181 10.790 -8.891 1.00 10.00 C ATOM 936 O PRO A 73 2.367 11.650 -9.224 1.00 10.00 O ATOM 937 CB PRO A 73 3.067 9.817 -6.582 1.00 10.00 C ATOM 938 CG PRO A 73 3.578 8.513 -6.082 1.00 10.00 C ATOM 939 CD PRO A 73 4.280 7.867 -7.240 1.00 10.00 C ATOM 0 HA PRO A 73 1.698 9.436 -8.268 1.00 10.00 H new ATOM 0 HB2 PRO A 73 3.808 10.606 -6.453 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.174 10.126 -6.038 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.261 8.658 -5.245 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.761 7.887 -5.723 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.337 8.132 -7.270 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.225 6.780 -7.189 1.00 10.00 H new ATOM 947 N ALA A 74 4.463 10.842 -9.221 1.00 10.00 N ATOM 948 CA ALA A 74 5.003 11.934 -10.012 1.00 10.00 C ATOM 949 C ALA A 74 4.617 11.775 -11.476 1.00 10.00 C ATOM 950 O ALA A 74 4.317 12.753 -12.155 1.00 10.00 O ATOM 951 CB ALA A 74 6.517 11.992 -9.864 1.00 10.00 C ATOM 0 H ALA A 74 5.149 10.137 -8.951 1.00 10.00 H new ATOM 0 HA ALA A 74 4.581 12.870 -9.646 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.910 12.815 -10.462 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.774 12.149 -8.817 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.952 11.054 -10.208 1.00 10.00 H new ATOM 957 N GLN A 75 4.605 10.532 -11.945 1.00 10.00 N ATOM 958 CA GLN A 75 4.261 10.227 -13.331 1.00 10.00 C ATOM 959 C GLN A 75 2.815 10.615 -13.636 1.00 10.00 C ATOM 960 O GLN A 75 2.511 11.104 -14.723 1.00 10.00 O ATOM 961 CB GLN A 75 4.465 8.736 -13.603 1.00 10.00 C ATOM 962 CG GLN A 75 4.607 8.387 -15.075 1.00 10.00 C ATOM 963 CD GLN A 75 5.877 8.943 -15.690 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.889 9.133 -15.011 1.00 10.00 O ATOM 965 NE2 GLN A 75 5.840 9.193 -16.987 1.00 10.00 N ATOM 0 H GLN A 75 4.831 9.713 -11.381 1.00 10.00 H new ATOM 0 HA GLN A 75 4.916 10.808 -13.980 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.356 8.400 -13.073 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.621 8.184 -13.190 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.597 7.303 -15.189 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.745 8.773 -15.620 1.00 10.00 H new ATOM 0 HE21 GLN A 75 4.984 9.023 -17.515 1.00 10.00 H new ATOM 0 HE22 GLN A 75 6.667 9.556 -17.460 1.00 10.00 H new ATOM 974 N LEU A 76 1.934 10.404 -12.664 1.00 10.00 N ATOM 975 CA LEU A 76 0.517 10.723 -12.833 1.00 10.00 C ATOM 976 C LEU A 76 0.191 12.123 -12.318 1.00 10.00 C ATOM 977 O LEU A 76 -0.980 12.506 -12.263 1.00 10.00 O ATOM 978 CB LEU A 76 -0.351 9.693 -12.105 1.00 10.00 C ATOM 979 CG LEU A 76 -0.396 8.299 -12.738 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.217 7.354 -11.873 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.973 8.367 -14.145 1.00 10.00 C ATOM 0 H LEU A 76 2.173 10.014 -11.752 1.00 10.00 H new ATOM 0 HA LEU A 76 0.300 10.693 -13.901 1.00 10.00 H new ATOM 0 HB2 LEU A 76 0.013 9.596 -11.082 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.369 10.079 -12.046 1.00 10.00 H new ATOM 0 HG LEU A 76 0.623 7.917 -12.804 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.241 6.367 -12.334 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.765 7.281 -10.884 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.234 7.736 -11.781 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.996 7.367 -14.577 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.986 8.768 -14.104 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.351 9.015 -14.763 1.00 10.00 H new ATOM 993 N GLU A 77 1.229 12.877 -11.943 1.00 10.00 N ATOM 994 CA GLU A 77 1.068 14.239 -11.425 1.00 10.00 C ATOM 995 C GLU A 77 0.065 14.269 -10.269 1.00 10.00 C ATOM 996 O GLU A 77 -0.901 15.034 -10.282 1.00 10.00 O ATOM 997 CB GLU A 77 0.619 15.191 -12.540 1.00 10.00 C ATOM 998 CG GLU A 77 1.590 15.276 -13.707 1.00 10.00 C ATOM 999 CD GLU A 77 2.788 16.155 -13.416 1.00 10.00 C ATOM 1000 OE1 GLU A 77 2.644 17.399 -13.452 1.00 10.00 O ATOM 1001 OE2 GLU A 77 3.882 15.612 -13.164 1.00 10.00 O ATOM 0 H GLU A 77 2.198 12.563 -11.989 1.00 10.00 H new ATOM 0 HA GLU A 77 2.036 14.572 -11.049 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.353 14.866 -12.912 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.483 16.188 -12.120 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.935 14.273 -13.960 1.00 10.00 H new ATOM 0 HG3 GLU A 77 1.066 15.663 -14.581 1.00 10.00 H new ATOM 1008 N MET A 78 0.297 13.427 -9.273 1.00 10.00 N ATOM 1009 CA MET A 78 -0.583 13.346 -8.113 1.00 10.00 C ATOM 1010 C MET A 78 -0.146 14.341 -7.045 1.00 10.00 C ATOM 1011 O MET A 78 1.048 14.599 -6.881 1.00 10.00 O ATOM 1012 CB MET A 78 -0.582 11.923 -7.546 1.00 10.00 C ATOM 1013 CG MET A 78 -1.002 10.871 -8.562 1.00 10.00 C ATOM 1014 SD MET A 78 -0.615 9.190 -8.035 1.00 10.00 S ATOM 1015 CE MET A 78 -1.883 8.919 -6.800 1.00 10.00 C ATOM 0 H MET A 78 1.091 12.787 -9.244 1.00 10.00 H new ATOM 0 HA MET A 78 -1.596 13.597 -8.427 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.417 11.686 -7.179 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.255 11.880 -6.689 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.074 10.953 -8.739 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.506 11.072 -9.511 1.00 10.00 H new ATOM 0 HE1 MET A 78 -1.591 8.091 -6.154 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.006 9.821 -6.201 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.825 8.680 -7.293 1.00 10.00 H new ATOM 1025 N GLU A 79 -1.110 14.899 -6.325 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.819 15.871 -5.280 1.00 10.00 C ATOM 1027 C GLU A 79 -1.013 15.250 -3.900 1.00 10.00 C ATOM 1028 O GLU A 79 -1.451 14.103 -3.783 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.721 17.097 -5.432 1.00 10.00 C ATOM 1030 CG GLU A 79 -1.720 17.688 -6.833 1.00 10.00 C ATOM 1031 CD GLU A 79 -0.338 18.094 -7.303 1.00 10.00 C ATOM 1032 OE1 GLU A 79 0.400 18.733 -6.526 1.00 10.00 O ATOM 1033 OE2 GLU A 79 0.016 17.787 -8.461 1.00 10.00 O ATOM 0 H GLU A 79 -2.102 14.695 -6.446 1.00 10.00 H new ATOM 0 HA GLU A 79 0.221 16.181 -5.380 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.741 16.822 -5.164 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.401 17.862 -4.724 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -2.135 16.959 -7.529 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -2.376 18.559 -6.855 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.693 16.013 -2.861 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.832 15.536 -1.492 1.00 10.00 C ATOM 1042 C ASP A 80 -2.297 15.511 -1.077 1.00 10.00 C ATOM 1043 O ASP A 80 -3.090 16.354 -1.509 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.033 16.410 -0.525 1.00 10.00 C ATOM 1045 CG ASP A 80 1.302 15.799 -0.147 1.00 10.00 C ATOM 1046 OD1 ASP A 80 2.333 16.213 -0.722 1.00 10.00 O ATOM 1047 OD2 ASP A 80 1.328 14.913 0.736 1.00 10.00 O ATOM 0 H ASP A 80 -0.335 16.965 -2.942 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.437 14.521 -1.452 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.135 17.386 -0.979 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.620 16.575 0.378 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.641 14.524 -0.255 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.003 14.340 0.249 1.00 10.00 C ATOM 1054 C GLU A 81 -4.966 13.973 -0.876 1.00 10.00 C ATOM 1055 O GLU A 81 -6.165 14.241 -0.787 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.499 15.588 0.986 1.00 10.00 C ATOM 1057 CG GLU A 81 -3.779 15.848 2.297 1.00 10.00 C ATOM 1058 CD GLU A 81 -4.580 16.724 3.237 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -4.350 17.948 3.257 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.442 16.191 3.965 1.00 10.00 O ATOM 0 H GLU A 81 -1.981 13.824 0.084 1.00 10.00 H new ATOM 0 HA GLU A 81 -3.974 13.513 0.959 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.378 16.455 0.337 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.566 15.483 1.182 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -3.566 14.897 2.785 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -2.820 16.323 2.092 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.439 13.357 -1.927 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.265 12.946 -3.054 1.00 10.00 C ATOM 1069 C ASP A 82 -5.920 11.606 -2.751 1.00 10.00 C ATOM 1070 O ASP A 82 -5.269 10.684 -2.254 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.438 12.856 -4.338 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.925 13.821 -5.401 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.823 13.450 -6.185 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -4.422 14.962 -5.448 1.00 10.00 O ATOM 0 H ASP A 82 -3.449 13.132 -2.022 1.00 10.00 H new ATOM 0 HA ASP A 82 -6.040 13.697 -3.207 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.393 13.066 -4.111 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.482 11.838 -4.726 1.00 10.00 H new ATOM 1079 N THR A 83 -7.206 11.512 -3.039 1.00 10.00 N ATOM 1080 CA THR A 83 -7.962 10.300 -2.773 1.00 10.00 C ATOM 1081 C THR A 83 -7.884 9.305 -3.929 1.00 10.00 C ATOM 1082 O THR A 83 -7.881 9.690 -5.100 1.00 10.00 O ATOM 1083 CB THR A 83 -9.434 10.650 -2.498 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.520 11.966 -1.930 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.064 9.645 -1.546 1.00 10.00 C ATOM 0 H THR A 83 -7.751 12.265 -3.459 1.00 10.00 H new ATOM 0 HA THR A 83 -7.518 9.828 -1.897 1.00 10.00 H new ATOM 0 HB THR A 83 -9.976 10.618 -3.443 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.459 12.187 -1.757 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.105 9.915 -1.368 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.018 8.649 -1.986 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.521 9.650 -0.601 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.796 8.025 -3.586 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.748 6.951 -4.565 1.00 10.00 C ATOM 1095 C ILE A 84 -8.913 5.997 -4.314 1.00 10.00 C ATOM 1096 O ILE A 84 -9.175 5.621 -3.171 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.417 6.169 -4.498 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.229 7.128 -4.607 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.359 5.119 -5.599 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.885 6.455 -4.432 1.00 10.00 C ATOM 0 H ILE A 84 -7.756 7.704 -2.619 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.822 7.393 -5.558 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.363 5.660 -3.536 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.256 7.617 -5.581 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.334 7.910 -3.855 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.415 4.578 -5.537 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -7.186 4.420 -5.479 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.434 5.606 -6.571 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.092 7.197 -4.522 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.836 5.990 -3.447 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.757 5.692 -5.200 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.608 5.610 -5.373 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.763 4.725 -5.241 1.00 10.00 C ATOM 1114 C ASP A 85 -10.386 3.262 -5.438 1.00 10.00 C ATOM 1115 O ASP A 85 -9.604 2.919 -6.330 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.854 5.108 -6.246 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.570 6.395 -5.889 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.230 6.449 -4.827 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.492 7.360 -6.682 1.00 10.00 O ATOM 0 H ASP A 85 -9.396 5.891 -6.330 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.141 4.846 -4.226 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.408 5.211 -7.235 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.583 4.300 -6.307 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.952 2.407 -4.597 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.710 0.972 -4.660 1.00 10.00 C ATOM 1126 C VAL A 86 -12.021 0.244 -4.933 1.00 10.00 C ATOM 1127 O VAL A 86 -12.953 0.307 -4.132 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.100 0.438 -3.347 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.745 -1.036 -3.482 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.873 1.246 -2.953 1.00 10.00 C ATOM 0 H VAL A 86 -11.591 2.688 -3.853 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.999 0.790 -5.466 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.846 0.543 -2.559 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.316 -1.394 -2.546 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.644 -1.607 -3.711 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -9.020 -1.163 -4.286 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.460 0.851 -2.025 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.124 1.177 -3.741 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.155 2.289 -2.810 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.096 -0.438 -6.062 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.308 -1.154 -6.428 1.00 10.00 C ATOM 1142 C PHE A 87 -13.083 -2.662 -6.436 1.00 10.00 C ATOM 1143 O PHE A 87 -11.944 -3.133 -6.440 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.794 -0.690 -7.804 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.172 0.761 -7.845 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.345 1.198 -7.256 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.355 1.688 -8.471 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.698 2.534 -7.289 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.703 3.024 -8.507 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.875 3.447 -7.915 1.00 10.00 C ATOM 0 H PHE A 87 -11.337 -0.512 -6.739 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.069 -0.932 -5.680 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -13.010 -0.874 -8.539 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.655 -1.290 -8.098 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -15.993 0.487 -6.765 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.436 1.363 -8.936 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.617 2.862 -6.825 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.058 3.737 -8.998 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.148 4.492 -7.942 1.00 10.00 H new ATOM 1160 N GLN A 88 -14.179 -3.408 -6.435 1.00 10.00 N ATOM 1161 CA GLN A 88 -14.126 -4.863 -6.450 1.00 10.00 C ATOM 1162 C GLN A 88 -14.301 -5.389 -7.868 1.00 10.00 C ATOM 1163 O GLN A 88 -15.003 -4.781 -8.680 1.00 10.00 O ATOM 1164 CB GLN A 88 -15.225 -5.446 -5.559 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.890 -5.453 -4.078 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.801 -6.447 -3.726 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.612 -7.454 -4.409 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -13.084 -6.180 -2.647 1.00 10.00 N ATOM 0 H GLN A 88 -15.124 -3.025 -6.424 1.00 10.00 H new ATOM 0 HA GLN A 88 -13.151 -5.169 -6.070 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -16.141 -4.874 -5.710 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -15.431 -6.468 -5.878 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -14.575 -4.454 -3.777 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.789 -5.689 -3.508 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -13.271 -5.335 -2.107 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -12.344 -6.819 -2.355 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.660 -6.508 -8.167 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.774 -7.117 -9.484 1.00 10.00 C ATOM 1179 C GLN A 89 -15.017 -7.999 -9.534 1.00 10.00 C ATOM 1180 O GLN A 89 -15.433 -8.554 -8.513 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.515 -7.929 -9.812 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.529 -8.569 -11.195 1.00 10.00 C ATOM 1183 CD GLN A 89 -12.833 -7.576 -12.298 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.504 -6.395 -12.200 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.470 -8.049 -13.356 1.00 10.00 N ATOM 0 H GLN A 89 -13.057 -7.012 -7.518 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.870 -6.332 -10.234 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.645 -7.277 -9.734 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.395 -8.711 -9.063 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.561 -9.032 -11.386 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.273 -9.366 -11.214 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -13.725 -9.036 -13.399 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.706 -7.427 -14.129 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.616 -8.098 -10.714 1.00 10.00 N ATOM 1195 CA GLN A 90 -16.815 -8.903 -10.919 1.00 10.00 C ATOM 1196 C GLN A 90 -16.554 -10.363 -10.567 1.00 10.00 C ATOM 1197 O GLN A 90 -15.735 -11.027 -11.204 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.282 -8.802 -12.379 1.00 10.00 C ATOM 1199 CG GLN A 90 -17.997 -7.503 -12.722 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.069 -6.304 -12.760 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -15.878 -6.431 -13.039 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.607 -5.134 -12.486 1.00 10.00 N ATOM 0 H GLN A 90 -15.286 -7.624 -11.555 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.596 -8.518 -10.263 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -16.417 -8.910 -13.033 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -17.949 -9.637 -12.593 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -18.484 -7.609 -13.691 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -18.783 -7.323 -11.988 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.599 -5.070 -12.259 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.031 -4.292 -12.501 1.00 10.00 H new ATOM 1211 N THR A 91 -17.243 -10.851 -9.544 1.00 10.00 N ATOM 1212 CA THR A 91 -17.103 -12.234 -9.103 1.00 10.00 C ATOM 1213 C THR A 91 -17.616 -13.204 -10.166 1.00 10.00 C ATOM 1214 O THR A 91 -17.131 -14.332 -10.287 1.00 10.00 O ATOM 1215 CB THR A 91 -17.885 -12.457 -7.797 1.00 10.00 C ATOM 1216 OG1 THR A 91 -18.185 -11.189 -7.196 1.00 10.00 O ATOM 1217 CG2 THR A 91 -17.094 -13.318 -6.822 1.00 10.00 C ATOM 0 H THR A 91 -17.910 -10.305 -8.999 1.00 10.00 H new ATOM 0 HA THR A 91 -16.043 -12.424 -8.935 1.00 10.00 H new ATOM 0 HB THR A 91 -18.811 -12.981 -8.035 1.00 10.00 H new ATOM 0 HG1 THR A 91 -18.685 -11.331 -6.365 1.00 10.00 H new ATOM 0 HG21 THR A 91 -17.672 -13.458 -5.909 1.00 10.00 H new ATOM 0 HG22 THR A 91 -16.891 -14.288 -7.275 1.00 10.00 H new ATOM 0 HG23 THR A 91 -16.152 -12.825 -6.583 1.00 10.00 H new ATOM 1225 N GLY A 92 -18.601 -12.756 -10.933 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.172 -13.581 -11.978 1.00 10.00 C ATOM 1227 C GLY A 92 -20.684 -13.518 -11.975 1.00 10.00 C ATOM 1228 O GLY A 92 -21.270 -12.731 -11.223 1.00 10.00 O ATOM 0 H GLY A 92 -19.017 -11.829 -10.848 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -18.796 -13.253 -12.947 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -18.850 -14.614 -11.844 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASP B 195 -14.202 6.652 14.235 1.00 10.00 N ATOM 1234 CA ASP B 195 -14.000 6.405 12.811 1.00 10.00 C ATOM 1235 C ASP B 195 -12.870 5.406 12.606 1.00 10.00 C ATOM 1236 O ASP B 195 -12.347 4.855 13.578 1.00 10.00 O ATOM 1237 CB ASP B 195 -13.691 7.711 12.081 1.00 10.00 C ATOM 1238 CG ASP B 195 -14.947 8.417 11.612 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -15.152 9.592 11.985 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -15.743 7.801 10.871 1.00 10.00 O ATOM 0 HA ASP B 195 -14.918 5.986 12.398 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -13.131 8.371 12.743 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.052 7.503 11.223 1.00 10.00 H new ATOM 1245 N THR B 196 -12.479 5.175 11.360 1.00 10.00 N ATOM 1246 CA THR B 196 -11.405 4.236 11.082 1.00 10.00 C ATOM 1247 C THR B 196 -10.248 4.934 10.384 1.00 10.00 C ATOM 1248 O THR B 196 -10.426 5.519 9.317 1.00 10.00 O ATOM 1249 CB THR B 196 -11.904 3.110 10.159 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.323 2.967 10.297 1.00 10.00 O ATOM 1251 CG2 THR B 196 -11.221 1.791 10.482 1.00 10.00 C ATOM 0 H THR B 196 -12.884 5.619 10.536 1.00 10.00 H new ATOM 0 HA THR B 196 -11.073 3.826 12.035 1.00 10.00 H new ATOM 0 HB THR B 196 -11.659 3.377 9.131 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.639 2.251 9.707 1.00 10.00 H new ATOM 0 HG21 THR B 196 -11.594 1.015 9.814 1.00 10.00 H new ATOM 0 HG22 THR B 196 -10.144 1.897 10.350 1.00 10.00 H new ATOM 0 HG23 THR B 196 -11.434 1.514 11.514 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.064 4.854 10.976 1.00 10.00 N ATOM 1260 CA ALA B 197 -7.887 5.469 10.385 1.00 10.00 C ATOM 1261 C ALA B 197 -6.762 4.453 10.229 1.00 10.00 C ATOM 1262 O ALA B 197 -6.365 3.806 11.197 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.420 6.650 11.222 1.00 10.00 C ATOM 0 H ALA B 197 -8.895 4.372 11.859 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.160 5.832 9.394 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.538 7.096 10.762 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.215 7.393 11.278 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.172 6.308 12.227 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.245 4.335 9.021 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.159 3.411 8.761 1.00 10.00 C ATOM 1271 C GLY B 198 -3.960 4.128 8.181 1.00 10.00 C ATOM 1272 O GLY B 198 -4.115 4.918 7.260 1.00 10.00 O ATOM 0 H GLY B 198 -6.558 4.865 8.208 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -4.874 2.910 9.686 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.493 2.637 8.070 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.773 3.890 8.714 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.585 4.549 8.194 1.00 10.00 C ATOM 1278 C CYS B 199 -0.587 3.517 7.679 1.00 10.00 C ATOM 1279 O CYS B 199 -0.209 2.587 8.397 1.00 10.00 O ATOM 1280 CB CYS B 199 -0.934 5.404 9.283 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.062 6.554 10.100 1.00 10.00 S ATOM 0 H CYS B 199 -2.606 3.255 9.495 1.00 10.00 H new ATOM 0 HA CYS B 199 -1.882 5.194 7.367 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.499 4.745 10.034 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.113 5.970 8.842 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.415 7.227 11.004 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.197 3.669 6.420 1.00 10.00 N ATOM 1288 CA ILE B 200 0.761 2.773 5.786 1.00 10.00 C ATOM 1289 C ILE B 200 1.917 3.557 5.162 1.00 10.00 C ATOM 1290 O ILE B 200 1.683 4.533 4.449 1.00 10.00 O ATOM 1291 CB ILE B 200 0.085 1.900 4.698 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.135 1.173 5.273 1.00 10.00 C ATOM 1293 CG2 ILE B 200 1.075 0.896 4.129 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.765 0.184 4.312 1.00 10.00 C ATOM 0 H ILE B 200 -0.535 4.415 5.811 1.00 10.00 H new ATOM 0 HA ILE B 200 1.152 2.120 6.566 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.248 2.555 3.893 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -0.839 0.646 6.180 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -1.883 1.911 5.563 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.583 0.292 3.367 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.916 1.427 3.684 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.436 0.248 4.928 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.622 -0.291 4.789 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.093 0.708 3.414 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.033 -0.577 4.041 1.00 10.00 H new ATOM 1306 N VAL B 201 3.154 3.156 5.431 1.00 10.00 N ATOM 1307 CA VAL B 201 4.312 3.826 4.841 1.00 10.00 C ATOM 1308 C VAL B 201 5.129 2.828 4.013 1.00 10.00 C ATOM 1309 O VAL B 201 5.444 1.734 4.482 1.00 10.00 O ATOM 1310 CB VAL B 201 5.214 4.501 5.907 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.732 3.485 6.915 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.373 5.234 5.238 1.00 10.00 C ATOM 0 H VAL B 201 3.382 2.377 6.048 1.00 10.00 H new ATOM 0 HA VAL B 201 3.933 4.618 4.195 1.00 10.00 H new ATOM 0 HB VAL B 201 4.609 5.228 6.448 1.00 10.00 H new ATOM 0 HG11 VAL B 201 6.361 3.989 7.649 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.890 3.013 7.421 1.00 10.00 H new ATOM 0 HG13 VAL B 201 6.317 2.724 6.397 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.996 5.702 6.000 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.971 4.524 4.666 1.00 10.00 H new ATOM 0 HG23 VAL B 201 5.981 6.000 4.569 1.00 10.00 H new ATOM 1322 N ILE B 202 5.429 3.181 2.770 1.00 10.00 N ATOM 1323 CA ILE B 202 6.208 2.307 1.906 1.00 10.00 C ATOM 1324 C ILE B 202 7.457 3.021 1.391 1.00 10.00 C ATOM 1325 O ILE B 202 7.387 4.156 0.922 1.00 10.00 O ATOM 1326 CB ILE B 202 5.378 1.746 0.717 1.00 10.00 C ATOM 1327 CG1 ILE B 202 4.974 2.863 -0.254 1.00 10.00 C ATOM 1328 CG2 ILE B 202 4.151 1.001 1.231 1.00 10.00 C ATOM 1329 CD1 ILE B 202 3.921 2.460 -1.264 1.00 10.00 C ATOM 0 H ILE B 202 5.146 4.062 2.340 1.00 10.00 H new ATOM 0 HA ILE B 202 6.511 1.457 2.517 1.00 10.00 H new ATOM 0 HB ILE B 202 6.004 1.043 0.168 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.603 3.712 0.321 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.861 3.203 -0.788 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.580 0.614 0.387 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.467 0.173 1.865 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.527 1.683 1.809 1.00 10.00 H new ATOM 0 HD11 ILE B 202 3.694 3.308 -1.911 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.294 1.633 -1.868 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.016 2.149 -0.742 1.00 10.00 H new HETATM 1341 N SEP B 203 8.603 2.362 1.505 1.00 10.00 N HETATM 1342 CA SEP B 203 9.859 2.918 1.038 1.00 10.00 C HETATM 1343 CB SEP B 203 10.856 3.060 2.195 1.00 10.00 C HETATM 1344 OG SEP B 203 10.524 4.153 3.044 1.00 10.00 O HETATM 1345 C SEP B 203 10.436 2.020 -0.048 1.00 10.00 C HETATM 1346 O SEP B 203 10.495 0.801 0.115 1.00 10.00 O HETATM 1347 P SEP B 203 11.604 5.304 3.309 1.00 10.00 P HETATM 1348 O1P SEP B 203 12.754 5.281 2.386 1.00 10.00 O HETATM 1349 O2P SEP B 203 11.993 5.460 4.721 1.00 10.00 O HETATM 1350 O3P SEP B 203 10.853 6.669 2.959 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.872 2.139 2.777 1.00 10.00 H new HETATM 0 HB2 SEP B 203 11.860 3.202 1.795 1.00 10.00 H new HETATM 0 HA SEP B 203 9.675 3.911 0.628 1.00 10.00 H new ATOM 1355 N ASP B 204 10.813 2.605 -1.170 1.00 10.00 N ATOM 1356 CA ASP B 204 11.366 1.835 -2.273 1.00 10.00 C ATOM 1357 C ASP B 204 12.765 2.307 -2.626 1.00 10.00 C ATOM 1358 O ASP B 204 13.010 3.503 -2.786 1.00 10.00 O ATOM 1359 CB ASP B 204 10.454 1.913 -3.499 1.00 10.00 C ATOM 1360 CG ASP B 204 10.630 0.739 -4.446 1.00 10.00 C ATOM 1361 OD1 ASP B 204 11.635 0.696 -5.184 1.00 10.00 O ATOM 1362 OD2 ASP B 204 9.748 -0.144 -4.464 1.00 10.00 O ATOM 0 H ASP B 204 10.747 3.608 -1.343 1.00 10.00 H new ATOM 0 HA ASP B 204 11.430 0.795 -1.952 1.00 10.00 H new ATOM 0 HB2 ASP B 204 9.416 1.955 -3.170 1.00 10.00 H new ATOM 0 HB3 ASP B 204 10.656 2.840 -4.037 1.00 10.00 H new HETATM 1367 N SEP B 205 13.686 1.369 -2.726 1.00 10.00 N HETATM 1368 CA SEP B 205 15.060 1.674 -3.066 1.00 10.00 C HETATM 1369 CB SEP B 205 15.982 1.232 -1.932 1.00 10.00 C HETATM 1370 OG SEP B 205 15.816 -0.154 -1.664 1.00 10.00 O HETATM 1371 C SEP B 205 15.449 0.981 -4.367 1.00 10.00 C HETATM 1372 O SEP B 205 15.218 -0.221 -4.540 1.00 10.00 O HETATM 1373 P SEP B 205 15.347 -0.647 -0.217 1.00 10.00 P HETATM 1374 O1P SEP B 205 15.728 -2.036 0.086 1.00 10.00 O HETATM 1375 O2P SEP B 205 15.645 0.300 0.871 1.00 10.00 O HETATM 1376 O3P SEP B 205 13.748 -0.684 -0.291 1.00 10.00 O HETATM 0 HB3 SEP B 205 17.019 1.435 -2.199 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.766 1.810 -1.034 1.00 10.00 H new HETATM 0 HA SEP B 205 15.161 2.750 -3.206 1.00 10.00 H new ATOM 1381 N GLU B 206 16.024 1.735 -5.287 1.00 10.00 N ATOM 1382 CA GLU B 206 16.438 1.180 -6.567 1.00 10.00 C ATOM 1383 C GLU B 206 17.843 0.592 -6.473 1.00 10.00 C ATOM 1384 O GLU B 206 18.601 0.931 -5.564 1.00 10.00 O ATOM 1385 CB GLU B 206 16.387 2.251 -7.650 1.00 10.00 C ATOM 1386 CG GLU B 206 16.649 1.713 -9.045 1.00 10.00 C ATOM 1387 CD GLU B 206 15.667 0.628 -9.449 1.00 10.00 C ATOM 1388 OE1 GLU B 206 15.890 -0.546 -9.087 1.00 10.00 O ATOM 1389 OE2 GLU B 206 14.669 0.945 -10.129 1.00 10.00 O ATOM 0 H GLU B 206 16.215 2.731 -5.174 1.00 10.00 H new ATOM 0 HA GLU B 206 15.747 0.379 -6.831 1.00 10.00 H new ATOM 0 HB2 GLU B 206 15.408 2.729 -7.631 1.00 10.00 H new ATOM 0 HB3 GLU B 206 17.123 3.022 -7.422 1.00 10.00 H new ATOM 0 HG2 GLU B 206 16.594 2.532 -9.762 1.00 10.00 H new ATOM 0 HG3 GLU B 206 17.663 1.315 -9.092 1.00 10.00 H new TER 1396 GLU B 206