USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 634 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 69 ASN : amide:sc= 0 X(o=0.28,f=-0.03) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.283 X(o=0.28,f=0) USER MOD Set 2.1: A 6 SER OG : rot -28:sc= 1.25 USER MOD Set 2.2: A 8 SER OG : rot -47:sc= 0.205 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.07 (180deg=1.06) USER MOD Single : A 4 LYS NZ :NH3+ 151:sc= 1.3 (180deg=-0.265) USER MOD Single : A 5 HIS : no HD1:sc= -0.501 X(o=-0.5,f=-0.16) USER MOD Single : A 10 TYR OH : rot 19:sc= 1.71 USER MOD Single : A 11 THR OG1 : rot 109:sc= 1.35 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 102:sc= 0.0108 USER MOD Single : A 21 THR OG1 : rot -61:sc= 1.15 USER MOD Single : A 23 CYS SG : rot -36:sc= -0.539 USER MOD Single : A 24 ASN : amide:sc= -0.674 X(o=-0.67,f=-0.24) USER MOD Single : A 27 THR OG1 : rot -46:sc= 0.738 USER MOD Single : A 28 SER OG : rot -168:sc= 1.14 USER MOD Single : A 29 SER OG : rot 38:sc= 0.613 USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= -2.7! (180deg=-2.75!) USER MOD Single : A 38 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 39 HIS : no HD1:sc= -7.92! C(o=-7.9!,f=-9.6!) USER MOD Single : A 43 MET CE :methyl 164:sc= -1.59 (180deg=-2.45) USER MOD Single : A 44 THR OG1 : rot -13:sc= 0.356 USER MOD Single : A 46 HIS : no HE2:sc= -5.96! C(o=-6!,f=-8.4!) USER MOD Single : A 48 SER OG : rot -74:sc= 1.25 USER MOD Single : A 50 SER OG : rot -95:sc= 1.44 USER MOD Single : A 54 TYR OH : rot -30:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= -0.128 (180deg=-0.213) USER MOD Single : A 63 SER OG : rot 97:sc= 1.3 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 70 THR OG1 : rot 54:sc= 0.833 USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= -3.26! (180deg=-9.97!) USER MOD Single : A 78 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.3) USER MOD Single : A 80 LYS NZ :NH3+ -122:sc= 0.0934 (180deg=-4.31!) USER MOD Single : A 81 SER OG : rot -73:sc= 0.669 USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= 0.457 (180deg=-2.86!) USER MOD Single : A 85 GLN : amide:sc= -0.0458 X(o=-0.046,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.800 4.784 11.013 1.00 0.00 N ATOM 2 CA MET A 1 -5.913 5.933 11.309 1.00 0.00 C ATOM 3 C MET A 1 -4.523 5.472 11.655 1.00 0.00 C ATOM 4 O MET A 1 -3.544 6.007 11.129 1.00 0.00 O ATOM 5 CB MET A 1 -6.435 6.856 12.398 1.00 0.00 C ATOM 6 CG MET A 1 -5.525 8.084 12.547 1.00 0.00 C ATOM 7 SD MET A 1 -6.237 9.475 13.465 1.00 0.00 S ATOM 8 CE MET A 1 -7.300 10.182 12.171 1.00 0.00 C ATOM 0 H1 MET A 1 -7.747 5.132 10.761 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.409 4.239 10.218 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.868 4.173 11.852 1.00 0.00 H new ATOM 0 HA MET A 1 -5.890 6.518 10.389 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.449 7.175 12.157 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.487 6.318 13.344 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.606 7.775 13.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.247 8.432 11.552 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.820 11.055 12.564 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.688 10.477 11.319 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.030 9.438 11.853 1.00 0.00 H new ATOM 20 N GLU A 2 -4.459 4.477 12.529 1.00 0.00 N ATOM 21 CA GLU A 2 -3.552 3.359 12.456 1.00 0.00 C ATOM 22 C GLU A 2 -3.137 3.129 11.016 1.00 0.00 C ATOM 23 O GLU A 2 -3.939 3.194 10.083 1.00 0.00 O ATOM 24 CB GLU A 2 -4.192 2.089 13.005 1.00 0.00 C ATOM 25 CG GLU A 2 -4.745 2.273 14.418 1.00 0.00 C ATOM 26 CD GLU A 2 -6.189 2.824 14.499 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.702 3.361 13.477 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.733 2.806 15.619 1.00 0.00 O ATOM 0 H GLU A 2 -5.071 4.433 13.344 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.678 3.595 13.063 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.998 1.777 12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.454 1.287 13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.712 1.312 14.931 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.085 2.948 14.963 1.00 0.00 H new ATOM 35 N LEU A 3 -1.834 2.982 10.912 1.00 0.00 N ATOM 36 CA LEU A 3 -0.981 3.126 9.797 1.00 0.00 C ATOM 37 C LEU A 3 0.324 2.432 10.109 1.00 0.00 C ATOM 38 O LEU A 3 0.495 1.264 9.800 1.00 0.00 O ATOM 39 CB LEU A 3 -0.838 4.624 9.482 1.00 0.00 C ATOM 40 CG LEU A 3 -1.798 5.091 8.401 1.00 0.00 C ATOM 41 CD1 LEU A 3 -1.370 6.524 8.047 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.873 4.196 7.173 1.00 0.00 C ATOM 0 H LEU A 3 -1.293 2.722 11.737 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.381 2.657 8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.013 5.200 10.391 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.185 4.829 9.166 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.817 5.048 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.026 6.918 7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.439 7.154 8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.342 6.518 7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.584 4.614 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.889 4.133 6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.200 3.199 7.469 1.00 0.00 H new ATOM 54 N LYS A 4 1.166 3.156 10.835 1.00 0.00 N ATOM 55 CA LYS A 4 2.487 2.825 11.370 1.00 0.00 C ATOM 56 C LYS A 4 3.552 3.587 10.617 1.00 0.00 C ATOM 57 O LYS A 4 3.266 4.315 9.669 1.00 0.00 O ATOM 58 CB LYS A 4 2.680 1.360 11.736 1.00 0.00 C ATOM 59 CG LYS A 4 1.599 0.859 12.726 1.00 0.00 C ATOM 60 CD LYS A 4 1.006 -0.504 12.354 1.00 0.00 C ATOM 61 CE LYS A 4 1.845 -1.637 12.932 1.00 0.00 C ATOM 62 NZ LYS A 4 1.255 -2.980 12.760 1.00 0.00 N ATOM 0 H LYS A 4 0.909 4.108 11.097 1.00 0.00 H new ATOM 0 HA LYS A 4 2.603 3.202 12.386 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.651 0.754 10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.667 1.224 12.178 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.034 0.796 13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.795 1.594 12.775 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.015 -0.575 12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.956 -0.600 11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.828 -1.622 12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.998 -1.454 13.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.014 -3.688 12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.639 -3.195 13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.696 -3.004 11.883 1.00 0.00 H new ATOM 76 N HIS A 5 4.705 3.640 11.261 1.00 0.00 N ATOM 77 CA HIS A 5 5.755 4.610 10.969 1.00 0.00 C ATOM 78 C HIS A 5 6.657 4.135 9.881 1.00 0.00 C ATOM 79 O HIS A 5 7.373 4.892 9.241 1.00 0.00 O ATOM 80 CB HIS A 5 6.649 4.911 12.165 1.00 0.00 C ATOM 81 CG HIS A 5 6.134 4.514 13.510 1.00 0.00 C ATOM 82 ND1 HIS A 5 5.255 5.189 14.325 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.495 3.352 14.115 1.00 0.00 C ATOM 84 CE1 HIS A 5 5.090 4.430 15.423 1.00 0.00 C ATOM 85 NE2 HIS A 5 5.820 3.305 15.344 1.00 0.00 N ATOM 0 H HIS A 5 4.946 2.999 12.017 1.00 0.00 H new ATOM 0 HA HIS A 5 5.214 5.510 10.676 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.606 4.413 12.007 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.846 5.983 12.180 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.172 2.607 13.724 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.455 4.690 16.257 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.873 2.562 16.041 1.00 0.00 H new ATOM 93 N SER A 6 6.612 2.838 9.750 1.00 0.00 N ATOM 94 CA SER A 6 7.127 2.069 8.729 1.00 0.00 C ATOM 95 C SER A 6 6.099 1.181 8.073 1.00 0.00 C ATOM 96 O SER A 6 5.157 0.717 8.712 1.00 0.00 O ATOM 97 CB SER A 6 8.262 1.273 9.261 1.00 0.00 C ATOM 98 OG SER A 6 8.254 0.713 10.554 1.00 0.00 O ATOM 0 H SER A 6 6.154 2.260 10.455 1.00 0.00 H new ATOM 0 HA SER A 6 7.471 2.740 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.418 0.449 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.144 1.910 9.203 1.00 0.00 H new ATOM 0 HG SER A 6 7.685 1.254 11.141 1.00 0.00 H new ATOM 104 N ILE A 7 6.487 0.777 6.868 1.00 0.00 N ATOM 105 CA ILE A 7 5.998 -0.381 6.133 1.00 0.00 C ATOM 106 C ILE A 7 6.284 -1.716 6.835 1.00 0.00 C ATOM 107 O ILE A 7 6.060 -2.795 6.310 1.00 0.00 O ATOM 108 CB ILE A 7 6.627 -0.317 4.730 1.00 0.00 C ATOM 109 CG1 ILE A 7 5.751 -1.097 3.736 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.128 -0.684 4.740 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.494 -1.690 2.564 1.00 0.00 C ATOM 0 H ILE A 7 7.200 1.285 6.345 1.00 0.00 H new ATOM 0 HA ILE A 7 4.910 -0.343 6.074 1.00 0.00 H new ATOM 0 HB ILE A 7 6.636 0.713 4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.246 -1.901 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.976 -0.431 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.524 -0.624 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.668 0.011 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.252 -1.699 5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.793 -2.220 1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.976 -0.893 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.251 -2.386 2.927 1.00 0.00 H new ATOM 123 N SER A 8 6.878 -1.645 8.013 1.00 0.00 N ATOM 124 CA SER A 8 7.619 -2.678 8.658 1.00 0.00 C ATOM 125 C SER A 8 7.256 -2.764 10.112 1.00 0.00 C ATOM 126 O SER A 8 7.639 -3.715 10.795 1.00 0.00 O ATOM 127 CB SER A 8 9.037 -2.249 8.471 1.00 0.00 C ATOM 128 OG SER A 8 9.722 -1.629 9.555 1.00 0.00 O ATOM 0 H SER A 8 6.843 -0.793 8.573 1.00 0.00 H new ATOM 0 HA SER A 8 7.424 -3.670 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.611 -3.129 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.063 -1.558 7.628 1.00 0.00 H new ATOM 0 HG SER A 8 9.153 -0.934 9.947 1.00 0.00 H new ATOM 134 N ASP A 9 6.502 -1.780 10.601 1.00 0.00 N ATOM 135 CA ASP A 9 5.760 -2.041 11.804 1.00 0.00 C ATOM 136 C ASP A 9 4.614 -2.987 11.488 1.00 0.00 C ATOM 137 O ASP A 9 4.018 -3.544 12.414 1.00 0.00 O ATOM 138 CB ASP A 9 5.144 -0.743 12.298 1.00 0.00 C ATOM 139 CG ASP A 9 6.168 0.287 12.708 1.00 0.00 C ATOM 140 OD1 ASP A 9 6.923 0.033 13.663 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.196 1.326 12.007 1.00 0.00 O ATOM 0 H ASP A 9 6.399 -0.848 10.200 1.00 0.00 H new ATOM 0 HA ASP A 9 6.428 -2.470 12.551 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.514 -0.326 11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.495 -0.957 13.147 1.00 0.00 H new ATOM 146 N TYR A 10 4.277 -3.147 10.202 1.00 0.00 N ATOM 147 CA TYR A 10 3.067 -3.825 9.764 1.00 0.00 C ATOM 148 C TYR A 10 3.429 -4.839 8.691 1.00 0.00 C ATOM 149 O TYR A 10 4.272 -4.547 7.845 1.00 0.00 O ATOM 150 CB TYR A 10 2.011 -2.791 9.353 1.00 0.00 C ATOM 151 CG TYR A 10 2.216 -2.065 8.050 1.00 0.00 C ATOM 152 CD1 TYR A 10 2.118 -2.738 6.823 1.00 0.00 C ATOM 153 CD2 TYR A 10 2.486 -0.694 8.055 1.00 0.00 C ATOM 154 CE1 TYR A 10 2.334 -2.077 5.615 1.00 0.00 C ATOM 155 CE2 TYR A 10 2.664 -0.022 6.848 1.00 0.00 C ATOM 156 CZ TYR A 10 2.576 -0.691 5.621 1.00 0.00 C ATOM 157 OH TYR A 10 2.860 0.004 4.493 1.00 0.00 O ATOM 0 H TYR A 10 4.850 -2.802 9.432 1.00 0.00 H new ATOM 0 HA TYR A 10 2.608 -4.394 10.573 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.046 -3.296 9.308 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.944 -2.046 10.146 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.870 -3.789 6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.556 -0.158 8.990 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.316 -2.623 4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.874 1.037 6.859 1.00 0.00 H new ATOM 0 HH TYR A 10 2.573 -0.511 3.710 1.00 0.00 H new ATOM 167 N THR A 11 2.969 -6.089 8.838 1.00 0.00 N ATOM 168 CA THR A 11 3.381 -7.223 7.994 1.00 0.00 C ATOM 169 C THR A 11 3.034 -6.926 6.521 1.00 0.00 C ATOM 170 O THR A 11 2.329 -5.975 6.187 1.00 0.00 O ATOM 171 CB THR A 11 2.779 -8.556 8.432 1.00 0.00 C ATOM 172 OG1 THR A 11 1.924 -9.238 7.536 1.00 0.00 O ATOM 173 CG2 THR A 11 1.970 -8.542 9.725 1.00 0.00 C ATOM 0 H THR A 11 2.291 -6.346 9.556 1.00 0.00 H new ATOM 0 HA THR A 11 4.460 -7.331 8.108 1.00 0.00 H new ATOM 0 HB THR A 11 3.735 -9.072 8.526 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.379 -10.035 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.595 -9.545 9.930 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.606 -8.216 10.548 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.130 -7.855 9.621 1.00 0.00 H new ATOM 181 N GLU A 12 3.409 -7.797 5.604 1.00 0.00 N ATOM 182 CA GLU A 12 3.012 -7.633 4.230 1.00 0.00 C ATOM 183 C GLU A 12 1.511 -7.845 3.962 1.00 0.00 C ATOM 184 O GLU A 12 0.926 -7.225 3.070 1.00 0.00 O ATOM 185 CB GLU A 12 3.851 -8.604 3.432 1.00 0.00 C ATOM 186 CG GLU A 12 3.877 -8.043 2.033 1.00 0.00 C ATOM 187 CD GLU A 12 4.190 -9.170 1.064 1.00 0.00 C ATOM 188 OE1 GLU A 12 3.196 -9.806 0.646 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.364 -9.288 0.659 1.00 0.00 O ATOM 0 H GLU A 12 3.984 -8.619 5.789 1.00 0.00 H new ATOM 0 HA GLU A 12 3.179 -6.596 3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.857 -8.686 3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.418 -9.604 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.916 -7.591 1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.628 -7.257 1.955 1.00 0.00 H new ATOM 196 N ALA A 13 0.866 -8.695 4.751 1.00 0.00 N ATOM 197 CA ALA A 13 -0.571 -8.951 4.671 1.00 0.00 C ATOM 198 C ALA A 13 -1.318 -7.810 5.332 1.00 0.00 C ATOM 199 O ALA A 13 -2.409 -7.452 4.904 1.00 0.00 O ATOM 200 CB ALA A 13 -0.903 -10.286 5.343 1.00 0.00 C ATOM 0 H ALA A 13 1.333 -9.237 5.478 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.878 -9.014 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.976 -10.469 5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.367 -11.090 4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.603 -10.251 6.390 1.00 0.00 H new ATOM 206 N GLU A 14 -0.673 -7.185 6.305 1.00 0.00 N ATOM 207 CA GLU A 14 -1.057 -5.921 6.880 1.00 0.00 C ATOM 208 C GLU A 14 -1.094 -4.822 5.821 1.00 0.00 C ATOM 209 O GLU A 14 -2.031 -4.035 5.802 1.00 0.00 O ATOM 210 CB GLU A 14 -0.049 -5.606 7.988 1.00 0.00 C ATOM 211 CG GLU A 14 -0.704 -5.812 9.333 1.00 0.00 C ATOM 212 CD GLU A 14 0.060 -5.331 10.572 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.066 -5.961 10.972 1.00 0.00 O ATOM 214 OE2 GLU A 14 -0.322 -4.292 11.154 1.00 0.00 O ATOM 0 H GLU A 14 0.171 -7.570 6.730 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.064 -5.975 7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.825 -6.250 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.301 -4.578 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.671 -5.309 9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.901 -6.877 9.452 1.00 0.00 H new ATOM 221 N PHE A 15 -0.142 -4.796 4.886 1.00 0.00 N ATOM 222 CA PHE A 15 -0.205 -3.857 3.769 1.00 0.00 C ATOM 223 C PHE A 15 -1.304 -4.268 2.842 1.00 0.00 C ATOM 224 O PHE A 15 -1.947 -3.420 2.235 1.00 0.00 O ATOM 225 CB PHE A 15 1.058 -3.885 2.897 1.00 0.00 C ATOM 226 CG PHE A 15 1.426 -2.587 2.176 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.990 -1.318 2.619 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.285 -2.651 1.063 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.480 -0.146 2.021 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.807 -1.476 0.494 1.00 0.00 C ATOM 231 CZ PHE A 15 2.437 -0.225 1.002 1.00 0.00 C ATOM 0 H PHE A 15 0.673 -5.409 4.881 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.343 -2.872 4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.899 -4.174 3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.937 -4.667 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.274 -1.249 3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.545 -3.611 0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.118 0.818 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.495 -1.539 -0.336 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.888 0.675 0.610 1.00 0.00 H new ATOM 241 N LEU A 16 -1.472 -5.579 2.670 1.00 0.00 N ATOM 242 CA LEU A 16 -2.427 -6.005 1.677 1.00 0.00 C ATOM 243 C LEU A 16 -3.827 -5.585 2.084 1.00 0.00 C ATOM 244 O LEU A 16 -4.575 -5.051 1.274 1.00 0.00 O ATOM 245 CB LEU A 16 -2.262 -7.501 1.471 1.00 0.00 C ATOM 246 CG LEU A 16 -3.129 -8.090 0.354 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.323 -7.227 -0.882 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.437 -9.351 -0.204 1.00 0.00 C ATOM 0 H LEU A 16 -0.986 -6.318 3.177 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.249 -5.522 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.216 -7.711 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.499 -8.011 2.404 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.094 -8.237 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.954 -7.754 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.800 -6.289 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.354 -7.019 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.046 -9.778 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.458 -9.083 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.317 -10.084 0.594 1.00 0.00 H new ATOM 260 N GLN A 17 -4.130 -5.720 3.368 1.00 0.00 N ATOM 261 CA GLN A 17 -5.338 -5.266 3.965 1.00 0.00 C ATOM 262 C GLN A 17 -5.418 -3.751 3.934 1.00 0.00 C ATOM 263 O GLN A 17 -6.502 -3.193 3.882 1.00 0.00 O ATOM 264 CB GLN A 17 -5.717 -5.823 5.331 1.00 0.00 C ATOM 265 CG GLN A 17 -4.753 -5.329 6.370 1.00 0.00 C ATOM 266 CD GLN A 17 -5.115 -5.767 7.784 1.00 0.00 C ATOM 267 OE1 GLN A 17 -4.563 -6.718 8.325 1.00 0.00 O ATOM 268 NE2 GLN A 17 -6.058 -5.084 8.414 1.00 0.00 N ATOM 0 H GLN A 17 -3.502 -6.170 4.033 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.105 -5.704 3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.731 -5.518 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.709 -6.913 5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.753 -5.691 6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.715 -4.240 6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.510 -4.294 7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.332 -5.347 9.360 1.00 0.00 H new ATOM 277 N LEU A 18 -4.273 -3.081 3.997 1.00 0.00 N ATOM 278 CA LEU A 18 -4.254 -1.644 4.098 1.00 0.00 C ATOM 279 C LEU A 18 -4.666 -1.059 2.743 1.00 0.00 C ATOM 280 O LEU A 18 -5.538 -0.192 2.640 1.00 0.00 O ATOM 281 CB LEU A 18 -2.839 -1.187 4.484 1.00 0.00 C ATOM 282 CG LEU A 18 -2.783 0.307 4.769 1.00 0.00 C ATOM 283 CD1 LEU A 18 -3.385 0.607 6.146 1.00 0.00 C ATOM 284 CD2 LEU A 18 -1.358 0.838 4.704 1.00 0.00 C ATOM 0 H LEU A 18 -3.352 -3.518 3.979 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.949 -1.298 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.507 -1.737 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.147 -1.429 3.678 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.367 0.811 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.339 1.679 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.424 0.279 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.821 0.077 6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.358 1.908 4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.744 0.324 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.949 0.663 3.709 1.00 0.00 H new ATOM 296 N VAL A 19 -4.098 -1.635 1.682 1.00 0.00 N ATOM 297 CA VAL A 19 -4.464 -1.287 0.293 1.00 0.00 C ATOM 298 C VAL A 19 -5.976 -1.554 0.156 1.00 0.00 C ATOM 299 O VAL A 19 -6.703 -0.857 -0.539 1.00 0.00 O ATOM 300 CB VAL A 19 -3.658 -2.206 -0.603 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.246 -2.196 -2.011 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.213 -1.683 -0.584 1.00 0.00 C ATOM 0 H VAL A 19 -3.376 -2.352 1.752 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.258 -0.250 0.028 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.683 -3.239 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.664 -2.858 -2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.280 -2.541 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.215 -1.183 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.589 -2.314 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.192 -0.659 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.832 -1.704 0.437 1.00 0.00 H new ATOM 312 N THR A 20 -6.448 -2.582 0.850 1.00 0.00 N ATOM 313 CA THR A 20 -7.797 -3.094 0.883 1.00 0.00 C ATOM 314 C THR A 20 -8.709 -2.184 1.723 1.00 0.00 C ATOM 315 O THR A 20 -9.888 -2.142 1.419 1.00 0.00 O ATOM 316 CB THR A 20 -7.628 -4.560 1.333 1.00 0.00 C ATOM 317 OG1 THR A 20 -7.463 -5.406 0.212 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.510 -5.208 2.384 1.00 0.00 C ATOM 0 H THR A 20 -5.833 -3.123 1.458 1.00 0.00 H new ATOM 0 HA THR A 20 -8.325 -3.090 -0.071 1.00 0.00 H new ATOM 0 HB THR A 20 -6.733 -4.443 1.944 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.516 -5.636 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.200 -6.243 2.532 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.416 -4.664 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.548 -5.184 2.053 1.00 0.00 H new ATOM 326 N THR A 21 -8.213 -1.362 2.657 1.00 0.00 N ATOM 327 CA THR A 21 -8.931 -0.258 3.291 1.00 0.00 C ATOM 328 C THR A 21 -9.089 0.907 2.301 1.00 0.00 C ATOM 329 O THR A 21 -10.028 1.686 2.424 1.00 0.00 O ATOM 330 CB THR A 21 -8.135 0.152 4.551 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.406 -0.701 5.650 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.215 1.637 4.963 1.00 0.00 C ATOM 0 H THR A 21 -7.258 -1.456 3.004 1.00 0.00 H new ATOM 0 HA THR A 21 -9.938 -0.557 3.584 1.00 0.00 H new ATOM 0 HB THR A 21 -7.098 0.022 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.359 -0.654 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.616 1.799 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.833 2.260 4.154 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.252 1.903 5.167 1.00 0.00 H new ATOM 340 N ILE A 22 -8.203 1.046 1.314 1.00 0.00 N ATOM 341 CA ILE A 22 -8.190 2.097 0.298 1.00 0.00 C ATOM 342 C ILE A 22 -9.168 1.731 -0.792 1.00 0.00 C ATOM 343 O ILE A 22 -10.122 2.465 -1.036 1.00 0.00 O ATOM 344 CB ILE A 22 -6.800 2.360 -0.316 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.748 2.348 0.799 1.00 0.00 C ATOM 346 CG2 ILE A 22 -6.825 3.648 -1.160 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.580 3.280 0.597 1.00 0.00 C ATOM 0 H ILE A 22 -7.431 0.390 1.196 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.476 3.023 0.796 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.522 1.568 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.237 2.604 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.367 1.332 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.838 3.822 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.555 3.543 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.100 4.492 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.896 3.194 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.058 3.015 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.941 4.306 0.526 1.00 0.00 H new ATOM 359 N CYS A 23 -8.984 0.536 -1.359 1.00 0.00 N ATOM 360 CA CYS A 23 -10.018 -0.085 -2.155 1.00 0.00 C ATOM 361 C CYS A 23 -11.307 -0.219 -1.319 1.00 0.00 C ATOM 362 O CYS A 23 -12.338 -0.490 -1.936 1.00 0.00 O ATOM 363 CB CYS A 23 -9.578 -1.442 -2.764 1.00 0.00 C ATOM 364 SG CYS A 23 -10.722 -1.861 -4.113 1.00 0.00 S ATOM 0 H CYS A 23 -8.127 -0.011 -1.276 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.217 0.563 -3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.557 -1.376 -3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.588 -2.221 -2.002 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.922 -1.472 -3.800 1.00 0.00 H new ATOM 369 N ASN A 24 -11.291 -0.023 0.024 1.00 0.00 N ATOM 370 CA ASN A 24 -12.587 -0.077 0.760 1.00 0.00 C ATOM 371 C ASN A 24 -13.121 1.268 1.278 1.00 0.00 C ATOM 372 O ASN A 24 -14.281 1.315 1.678 1.00 0.00 O ATOM 373 CB ASN A 24 -12.637 -1.217 1.800 1.00 0.00 C ATOM 374 CG ASN A 24 -14.046 -1.491 2.340 1.00 0.00 C ATOM 375 OD1 ASN A 24 -14.949 -1.820 1.578 1.00 0.00 O ATOM 376 ND2 ASN A 24 -14.283 -1.455 3.645 1.00 0.00 N ATOM 0 H ASN A 24 -10.462 0.161 0.589 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.315 -0.334 -0.009 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.246 -2.128 1.347 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.979 -0.968 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.207 -1.699 4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.542 -1.183 4.291 1.00 0.00 H new ATOM 383 N ALA A 25 -12.352 2.374 1.248 1.00 0.00 N ATOM 384 CA ALA A 25 -12.748 3.685 1.804 1.00 0.00 C ATOM 385 C ALA A 25 -13.249 3.549 3.246 1.00 0.00 C ATOM 386 O ALA A 25 -14.009 4.377 3.747 1.00 0.00 O ATOM 387 CB ALA A 25 -13.806 4.295 0.873 1.00 0.00 C ATOM 0 H ALA A 25 -11.422 2.383 0.830 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.887 4.351 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.116 5.265 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.384 4.421 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.670 3.632 0.820 1.00 0.00 H new ATOM 393 N ASP A 26 -12.700 2.547 3.926 1.00 0.00 N ATOM 394 CA ASP A 26 -12.840 1.937 5.265 1.00 0.00 C ATOM 395 C ASP A 26 -12.286 2.830 6.373 1.00 0.00 C ATOM 396 O ASP A 26 -11.594 2.472 7.321 1.00 0.00 O ATOM 397 CB ASP A 26 -12.000 0.715 5.084 1.00 0.00 C ATOM 398 CG ASP A 26 -12.053 -0.375 6.136 1.00 0.00 C ATOM 399 OD1 ASP A 26 -13.167 -0.915 6.323 1.00 0.00 O ATOM 400 OD2 ASP A 26 -10.950 -0.789 6.559 1.00 0.00 O ATOM 0 H ASP A 26 -11.977 2.021 3.435 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.871 1.756 5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.275 0.265 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.963 1.038 4.997 1.00 0.00 H new ATOM 405 N THR A 27 -12.547 4.076 6.091 1.00 0.00 N ATOM 406 CA THR A 27 -11.906 5.273 6.557 1.00 0.00 C ATOM 407 C THR A 27 -12.788 6.208 7.351 1.00 0.00 C ATOM 408 O THR A 27 -13.935 5.904 7.673 1.00 0.00 O ATOM 409 CB THR A 27 -11.276 5.919 5.327 1.00 0.00 C ATOM 410 OG1 THR A 27 -12.203 6.382 4.357 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.201 5.025 4.723 1.00 0.00 C ATOM 0 H THR A 27 -13.308 4.302 5.450 1.00 0.00 H new ATOM 0 HA THR A 27 -11.149 5.017 7.299 1.00 0.00 H new ATOM 0 HB THR A 27 -10.797 6.828 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.886 5.696 4.203 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.771 5.513 3.848 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.419 4.848 5.461 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.643 4.074 4.427 1.00 0.00 H new ATOM 419 N SER A 28 -12.216 7.373 7.664 1.00 0.00 N ATOM 420 CA SER A 28 -12.983 8.494 8.132 1.00 0.00 C ATOM 421 C SER A 28 -14.102 8.840 7.187 1.00 0.00 C ATOM 422 O SER A 28 -15.216 9.090 7.644 1.00 0.00 O ATOM 423 CB SER A 28 -12.068 9.691 8.400 1.00 0.00 C ATOM 424 OG SER A 28 -11.181 9.945 7.329 1.00 0.00 O ATOM 0 H SER A 28 -11.214 7.550 7.596 1.00 0.00 H new ATOM 0 HA SER A 28 -13.453 8.213 9.075 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.677 10.577 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.493 9.509 9.308 1.00 0.00 H new ATOM 0 HG SER A 28 -10.495 10.583 7.617 1.00 0.00 H new ATOM 430 N SER A 29 -13.764 8.796 5.900 1.00 0.00 N ATOM 431 CA SER A 29 -14.466 9.469 4.811 1.00 0.00 C ATOM 432 C SER A 29 -13.434 10.209 3.989 1.00 0.00 C ATOM 433 O SER A 29 -13.140 11.380 4.214 1.00 0.00 O ATOM 434 CB SER A 29 -15.600 10.444 5.202 1.00 0.00 C ATOM 435 OG SER A 29 -15.176 11.521 6.023 1.00 0.00 O ATOM 0 H SER A 29 -12.956 8.266 5.574 1.00 0.00 H new ATOM 0 HA SER A 29 -14.981 8.679 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.048 10.847 4.294 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.380 9.888 5.723 1.00 0.00 H new ATOM 0 HG SER A 29 -14.288 11.821 5.736 1.00 0.00 H new ATOM 441 N GLU A 30 -12.862 9.489 3.047 1.00 0.00 N ATOM 442 CA GLU A 30 -12.196 10.011 1.870 1.00 0.00 C ATOM 443 C GLU A 30 -10.811 10.634 2.080 1.00 0.00 C ATOM 444 O GLU A 30 -10.042 10.909 1.165 1.00 0.00 O ATOM 445 CB GLU A 30 -13.180 10.891 1.071 1.00 0.00 C ATOM 446 CG GLU A 30 -12.873 11.048 -0.424 1.00 0.00 C ATOM 447 CD GLU A 30 -13.994 11.833 -1.125 1.00 0.00 C ATOM 448 OE1 GLU A 30 -15.057 11.220 -1.380 1.00 0.00 O ATOM 449 OE2 GLU A 30 -13.797 13.043 -1.384 1.00 0.00 O ATOM 0 H GLU A 30 -12.848 8.470 3.083 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.924 9.146 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.180 10.471 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.202 11.882 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.923 11.566 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.766 10.066 -0.884 1.00 0.00 H new ATOM 456 N GLU A 31 -10.441 10.735 3.334 1.00 0.00 N ATOM 457 CA GLU A 31 -9.371 11.522 3.882 1.00 0.00 C ATOM 458 C GLU A 31 -8.236 10.689 4.348 1.00 0.00 C ATOM 459 O GLU A 31 -7.128 10.750 3.835 1.00 0.00 O ATOM 460 CB GLU A 31 -10.021 12.258 4.962 1.00 0.00 C ATOM 461 CG GLU A 31 -9.153 13.155 5.808 1.00 0.00 C ATOM 462 CD GLU A 31 -9.666 13.273 7.252 1.00 0.00 C ATOM 463 OE1 GLU A 31 -10.053 12.217 7.815 1.00 0.00 O ATOM 464 OE2 GLU A 31 -9.626 14.396 7.798 1.00 0.00 O ATOM 0 H GLU A 31 -10.931 10.217 4.063 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.908 12.182 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.812 12.868 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.502 11.535 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.134 12.767 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.112 14.147 5.358 1.00 0.00 H new ATOM 471 N GLU A 32 -8.619 9.856 5.289 1.00 0.00 N ATOM 472 CA GLU A 32 -7.929 8.652 5.630 1.00 0.00 C ATOM 473 C GLU A 32 -7.604 7.980 4.323 1.00 0.00 C ATOM 474 O GLU A 32 -6.532 7.462 4.237 1.00 0.00 O ATOM 475 CB GLU A 32 -8.755 7.770 6.481 1.00 0.00 C ATOM 476 CG GLU A 32 -8.543 8.061 7.943 1.00 0.00 C ATOM 477 CD GLU A 32 -7.307 7.547 8.665 1.00 0.00 C ATOM 478 OE1 GLU A 32 -6.885 6.382 8.521 1.00 0.00 O ATOM 479 OE2 GLU A 32 -6.724 8.284 9.483 1.00 0.00 O ATOM 0 H GLU A 32 -9.453 10.013 5.854 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.031 8.870 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.808 7.903 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.507 6.728 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.555 9.145 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.411 7.673 8.477 1.00 0.00 H new ATOM 486 N LEU A 33 -8.415 8.059 3.271 1.00 0.00 N ATOM 487 CA LEU A 33 -8.043 7.496 1.989 1.00 0.00 C ATOM 488 C LEU A 33 -6.832 8.141 1.360 1.00 0.00 C ATOM 489 O LEU A 33 -5.874 7.442 1.072 1.00 0.00 O ATOM 490 CB LEU A 33 -9.210 7.597 1.030 1.00 0.00 C ATOM 491 CG LEU A 33 -10.123 6.423 1.314 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.519 6.748 0.781 1.00 0.00 C ATOM 493 CD2 LEU A 33 -9.542 5.240 0.564 1.00 0.00 C ATOM 0 H LEU A 33 -9.331 8.508 3.287 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.778 6.457 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.740 8.539 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.863 7.574 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.199 6.208 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.188 5.910 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.899 7.641 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.466 6.924 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.163 4.361 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.513 5.464 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.531 5.044 0.921 1.00 0.00 H new ATOM 505 N VAL A 34 -6.842 9.456 1.183 1.00 0.00 N ATOM 506 CA VAL A 34 -5.684 10.220 0.713 1.00 0.00 C ATOM 507 C VAL A 34 -4.490 9.984 1.637 1.00 0.00 C ATOM 508 O VAL A 34 -3.332 10.063 1.230 1.00 0.00 O ATOM 509 CB VAL A 34 -6.060 11.687 0.594 1.00 0.00 C ATOM 510 CG1 VAL A 34 -4.889 12.666 0.404 1.00 0.00 C ATOM 511 CG2 VAL A 34 -7.058 11.898 -0.544 1.00 0.00 C ATOM 0 H VAL A 34 -7.663 10.033 1.363 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.384 9.881 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.497 11.922 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.273 13.683 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.213 12.594 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.350 12.416 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.314 12.955 -0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.613 11.571 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.960 11.318 -0.349 1.00 0.00 H new ATOM 521 N LYS A 35 -4.768 9.660 2.891 1.00 0.00 N ATOM 522 CA LYS A 35 -3.791 9.474 3.931 1.00 0.00 C ATOM 523 C LYS A 35 -3.234 8.065 3.842 1.00 0.00 C ATOM 524 O LYS A 35 -2.030 7.909 4.000 1.00 0.00 O ATOM 525 CB LYS A 35 -4.443 9.898 5.233 1.00 0.00 C ATOM 526 CG LYS A 35 -3.769 9.237 6.403 1.00 0.00 C ATOM 527 CD LYS A 35 -4.459 9.644 7.676 1.00 0.00 C ATOM 528 CE LYS A 35 -3.912 8.860 8.871 1.00 0.00 C ATOM 529 NZ LYS A 35 -4.228 7.419 8.763 1.00 0.00 N ATOM 0 H LYS A 35 -5.724 9.515 3.216 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.901 10.097 3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.386 10.981 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.500 9.634 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.801 8.153 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.718 9.523 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.321 10.712 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.531 9.472 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.832 8.993 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.335 9.258 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.814 6.911 9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.260 7.289 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.832 7.042 7.878 1.00 0.00 H new ATOM 543 N LEU A 36 -4.054 7.049 3.600 1.00 0.00 N ATOM 544 CA LEU A 36 -3.671 5.688 3.407 1.00 0.00 C ATOM 545 C LEU A 36 -2.920 5.580 2.097 1.00 0.00 C ATOM 546 O LEU A 36 -1.936 4.852 2.041 1.00 0.00 O ATOM 547 CB LEU A 36 -5.022 4.975 3.444 1.00 0.00 C ATOM 548 CG LEU A 36 -5.569 4.792 4.860 1.00 0.00 C ATOM 549 CD1 LEU A 36 -5.416 3.326 5.241 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.997 5.546 6.070 1.00 0.00 C ATOM 0 H LEU A 36 -5.063 7.180 3.532 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.989 5.256 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.741 5.543 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.923 3.998 2.971 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.565 5.215 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.800 3.170 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.976 2.707 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.362 3.049 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.541 5.257 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.942 5.297 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.101 6.619 5.912 1.00 0.00 H new ATOM 562 N VAL A 37 -3.325 6.376 1.106 1.00 0.00 N ATOM 563 CA VAL A 37 -2.632 6.519 -0.163 1.00 0.00 C ATOM 564 C VAL A 37 -1.229 7.033 0.150 1.00 0.00 C ATOM 565 O VAL A 37 -0.231 6.377 -0.068 1.00 0.00 O ATOM 566 CB VAL A 37 -3.458 7.463 -1.075 1.00 0.00 C ATOM 567 CG1 VAL A 37 -2.706 8.243 -2.160 1.00 0.00 C ATOM 568 CG2 VAL A 37 -4.603 6.704 -1.750 1.00 0.00 C ATOM 0 H VAL A 37 -4.165 6.951 1.171 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.532 5.580 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.805 8.216 -0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.410 8.860 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.954 8.881 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.219 7.544 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.168 7.387 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.195 5.897 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.262 6.287 -0.988 1.00 0.00 H new ATOM 578 N THR A 38 -1.142 8.185 0.794 1.00 0.00 N ATOM 579 CA THR A 38 0.098 8.922 0.974 1.00 0.00 C ATOM 580 C THR A 38 1.056 8.182 1.901 1.00 0.00 C ATOM 581 O THR A 38 2.266 8.238 1.728 1.00 0.00 O ATOM 582 CB THR A 38 -0.178 10.330 1.360 1.00 0.00 C ATOM 583 OG1 THR A 38 -0.954 11.029 0.409 1.00 0.00 O ATOM 584 CG2 THR A 38 1.038 11.167 1.770 1.00 0.00 C ATOM 0 H THR A 38 -1.949 8.644 1.216 1.00 0.00 H new ATOM 0 HA THR A 38 0.624 8.979 0.021 1.00 0.00 H new ATOM 0 HB THR A 38 -0.766 10.202 2.269 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.895 10.773 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.715 12.175 2.030 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.522 10.708 2.632 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.743 11.215 0.940 1.00 0.00 H new ATOM 592 N HIS A 39 0.505 7.479 2.885 1.00 0.00 N ATOM 593 CA HIS A 39 1.234 6.532 3.687 1.00 0.00 C ATOM 594 C HIS A 39 1.780 5.425 2.802 1.00 0.00 C ATOM 595 O HIS A 39 2.956 5.145 2.926 1.00 0.00 O ATOM 596 CB HIS A 39 0.327 5.994 4.768 1.00 0.00 C ATOM 597 CG HIS A 39 0.844 4.788 5.498 1.00 0.00 C ATOM 598 ND1 HIS A 39 1.565 4.755 6.672 1.00 0.00 N ATOM 599 CD2 HIS A 39 0.602 3.500 5.116 1.00 0.00 C ATOM 600 CE1 HIS A 39 1.719 3.463 7.004 1.00 0.00 C ATOM 601 NE2 HIS A 39 1.124 2.666 6.105 1.00 0.00 N ATOM 0 H HIS A 39 -0.478 7.561 3.143 1.00 0.00 H new ATOM 0 HA HIS A 39 2.083 7.017 4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.144 6.787 5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.635 5.743 4.321 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.099 3.185 4.214 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.250 3.113 7.877 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.065 1.648 6.138 1.00 0.00 H new ATOM 609 N PHE A 40 0.981 4.805 1.925 1.00 0.00 N ATOM 610 CA PHE A 40 1.529 3.793 1.002 1.00 0.00 C ATOM 611 C PHE A 40 2.710 4.411 0.252 1.00 0.00 C ATOM 612 O PHE A 40 3.811 3.857 0.251 1.00 0.00 O ATOM 613 CB PHE A 40 0.468 3.240 0.028 1.00 0.00 C ATOM 614 CG PHE A 40 0.918 2.092 -0.872 1.00 0.00 C ATOM 615 CD1 PHE A 40 1.959 2.242 -1.808 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.265 0.849 -0.807 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.329 1.187 -2.647 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.648 -0.212 -1.647 1.00 0.00 C ATOM 619 CZ PHE A 40 1.678 -0.048 -2.577 1.00 0.00 C ATOM 0 H PHE A 40 -0.020 4.976 1.832 1.00 0.00 H new ATOM 0 HA PHE A 40 1.866 2.935 1.584 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.390 2.904 0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.124 4.058 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.479 3.186 -1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.541 0.707 -0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.129 1.328 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.141 -1.163 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.965 -0.860 -3.229 1.00 0.00 H new ATOM 629 N GLU A 41 2.456 5.580 -0.325 1.00 0.00 N ATOM 630 CA GLU A 41 3.343 6.351 -1.176 1.00 0.00 C ATOM 631 C GLU A 41 4.695 6.615 -0.534 1.00 0.00 C ATOM 632 O GLU A 41 5.731 6.649 -1.198 1.00 0.00 O ATOM 633 CB GLU A 41 2.699 7.577 -1.719 1.00 0.00 C ATOM 634 CG GLU A 41 1.451 7.270 -2.558 1.00 0.00 C ATOM 635 CD GLU A 41 0.864 5.876 -2.854 1.00 0.00 C ATOM 636 OE1 GLU A 41 1.642 4.944 -3.125 1.00 0.00 O ATOM 637 OE2 GLU A 41 -0.382 5.788 -2.910 1.00 0.00 O ATOM 0 H GLU A 41 1.557 6.044 -0.198 1.00 0.00 H new ATOM 0 HA GLU A 41 3.551 5.723 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.424 8.234 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.419 8.119 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.642 7.835 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.637 7.721 -3.533 1.00 0.00 H new ATOM 644 N GLU A 42 4.653 6.786 0.783 1.00 0.00 N ATOM 645 CA GLU A 42 5.793 6.918 1.649 1.00 0.00 C ATOM 646 C GLU A 42 6.471 5.550 1.796 1.00 0.00 C ATOM 647 O GLU A 42 7.571 5.273 1.310 1.00 0.00 O ATOM 648 CB GLU A 42 5.336 7.563 2.930 1.00 0.00 C ATOM 649 CG GLU A 42 6.291 8.024 4.044 1.00 0.00 C ATOM 650 CD GLU A 42 7.654 7.322 4.147 1.00 0.00 C ATOM 651 OE1 GLU A 42 7.704 6.205 4.711 1.00 0.00 O ATOM 652 OE2 GLU A 42 8.653 7.963 3.744 1.00 0.00 O ATOM 0 H GLU A 42 3.770 6.837 1.291 1.00 0.00 H new ATOM 0 HA GLU A 42 6.564 7.572 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.758 8.441 2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.641 6.863 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.471 9.091 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.778 7.903 4.998 1.00 0.00 H new ATOM 659 N MET A 43 5.702 4.670 2.424 1.00 0.00 N ATOM 660 CA MET A 43 6.055 3.461 3.109 1.00 0.00 C ATOM 661 C MET A 43 6.924 2.556 2.285 1.00 0.00 C ATOM 662 O MET A 43 7.914 1.998 2.763 1.00 0.00 O ATOM 663 CB MET A 43 4.747 2.773 3.491 1.00 0.00 C ATOM 664 CG MET A 43 4.178 3.190 4.845 1.00 0.00 C ATOM 665 SD MET A 43 4.554 4.832 5.523 1.00 0.00 S ATOM 666 CE MET A 43 5.869 4.356 6.644 1.00 0.00 C ATOM 0 H MET A 43 4.694 4.818 2.462 1.00 0.00 H new ATOM 0 HA MET A 43 6.650 3.700 3.990 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.004 2.981 2.721 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.907 1.695 3.496 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.093 3.107 4.780 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.510 2.454 5.577 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.427 5.242 6.948 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.441 3.877 7.524 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.540 3.659 6.142 1.00 0.00 H new ATOM 676 N THR A 44 6.491 2.322 1.057 1.00 0.00 N ATOM 677 CA THR A 44 7.114 1.314 0.246 1.00 0.00 C ATOM 678 C THR A 44 8.306 1.864 -0.537 1.00 0.00 C ATOM 679 O THR A 44 8.924 1.074 -1.269 1.00 0.00 O ATOM 680 CB THR A 44 6.048 0.591 -0.570 1.00 0.00 C ATOM 681 OG1 THR A 44 6.654 -0.354 -1.420 1.00 0.00 O ATOM 682 CG2 THR A 44 5.200 1.566 -1.366 1.00 0.00 C ATOM 0 H THR A 44 5.718 2.816 0.612 1.00 0.00 H new ATOM 0 HA THR A 44 7.573 0.550 0.873 1.00 0.00 H new ATOM 0 HB THR A 44 5.383 0.072 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.620 -0.191 -1.454 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.451 1.016 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.703 2.256 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.836 2.127 -2.050 1.00 0.00 H new ATOM 690 N GLU A 45 8.668 3.145 -0.380 1.00 0.00 N ATOM 691 CA GLU A 45 9.833 3.737 -1.029 1.00 0.00 C ATOM 692 C GLU A 45 9.756 3.488 -2.547 1.00 0.00 C ATOM 693 O GLU A 45 10.782 3.195 -3.174 1.00 0.00 O ATOM 694 CB GLU A 45 11.106 3.123 -0.431 1.00 0.00 C ATOM 695 CG GLU A 45 11.276 2.953 1.087 1.00 0.00 C ATOM 696 CD GLU A 45 12.173 1.725 1.321 1.00 0.00 C ATOM 697 OE1 GLU A 45 13.370 1.784 0.946 1.00 0.00 O ATOM 698 OE2 GLU A 45 11.630 0.626 1.596 1.00 0.00 O ATOM 0 H GLU A 45 8.152 3.800 0.207 1.00 0.00 H new ATOM 0 HA GLU A 45 9.854 4.814 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.221 2.135 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.944 3.728 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.726 3.844 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.307 2.817 1.568 1.00 0.00 H new ATOM 705 N HIS A 46 8.534 3.467 -3.097 1.00 0.00 N ATOM 706 CA HIS A 46 8.230 2.821 -4.364 1.00 0.00 C ATOM 707 C HIS A 46 8.027 3.831 -5.502 1.00 0.00 C ATOM 708 O HIS A 46 7.435 4.882 -5.288 1.00 0.00 O ATOM 709 CB HIS A 46 6.990 1.927 -4.186 1.00 0.00 C ATOM 710 CG HIS A 46 6.561 1.165 -5.416 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.717 1.647 -6.387 1.00 0.00 N ATOM 712 CD2 HIS A 46 7.019 -0.054 -5.846 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.713 0.759 -7.398 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.487 -0.292 -7.108 1.00 0.00 N ATOM 0 H HIS A 46 7.723 3.907 -2.662 1.00 0.00 H new ATOM 0 HA HIS A 46 9.085 2.210 -4.652 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.190 1.212 -3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.158 2.549 -3.856 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.189 2.519 -6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.677 -0.713 -5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.160 0.879 -8.318 1.00 0.00 H new ATOM 722 N PRO A 47 8.437 3.467 -6.729 1.00 0.00 N ATOM 723 CA PRO A 47 8.195 4.191 -7.975 1.00 0.00 C ATOM 724 C PRO A 47 6.810 4.787 -8.201 1.00 0.00 C ATOM 725 O PRO A 47 6.658 5.994 -8.350 1.00 0.00 O ATOM 726 CB PRO A 47 8.482 3.162 -9.082 1.00 0.00 C ATOM 727 CG PRO A 47 9.481 2.206 -8.450 1.00 0.00 C ATOM 728 CD PRO A 47 9.240 2.280 -6.985 1.00 0.00 C ATOM 0 HA PRO A 47 8.831 5.076 -7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.574 2.644 -9.389 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.894 3.638 -9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.338 1.190 -8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.504 2.492 -8.693 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.723 1.386 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.185 2.333 -6.444 1.00 0.00 H new ATOM 736 N SER A 48 5.831 3.898 -8.267 1.00 0.00 N ATOM 737 CA SER A 48 4.556 4.117 -8.898 1.00 0.00 C ATOM 738 C SER A 48 3.391 4.235 -7.945 1.00 0.00 C ATOM 739 O SER A 48 2.382 3.649 -8.180 1.00 0.00 O ATOM 740 CB SER A 48 4.429 3.079 -10.019 1.00 0.00 C ATOM 741 OG SER A 48 5.148 3.545 -11.142 1.00 0.00 O ATOM 0 H SER A 48 5.916 2.966 -7.862 1.00 0.00 H new ATOM 0 HA SER A 48 4.515 5.110 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.821 2.116 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.381 2.925 -10.277 1.00 0.00 H new ATOM 0 HG SER A 48 4.651 4.273 -11.570 1.00 0.00 H new ATOM 747 N GLY A 49 3.512 4.950 -6.854 1.00 0.00 N ATOM 748 CA GLY A 49 2.499 5.232 -5.841 1.00 0.00 C ATOM 749 C GLY A 49 1.076 5.435 -6.380 1.00 0.00 C ATOM 750 O GLY A 49 0.191 4.605 -6.192 1.00 0.00 O ATOM 0 H GLY A 49 4.400 5.395 -6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.486 4.410 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.794 6.127 -5.294 1.00 0.00 H new ATOM 754 N SER A 50 0.830 6.503 -7.136 1.00 0.00 N ATOM 755 CA SER A 50 -0.501 6.752 -7.686 1.00 0.00 C ATOM 756 C SER A 50 -0.852 5.755 -8.808 1.00 0.00 C ATOM 757 O SER A 50 -1.937 5.835 -9.389 1.00 0.00 O ATOM 758 CB SER A 50 -0.550 8.200 -8.186 1.00 0.00 C ATOM 759 OG SER A 50 -1.882 8.618 -8.420 1.00 0.00 O ATOM 0 H SER A 50 1.529 7.205 -7.380 1.00 0.00 H new ATOM 0 HA SER A 50 -1.249 6.605 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.084 8.857 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.028 8.289 -9.106 1.00 0.00 H new ATOM 0 HG SER A 50 -2.106 8.483 -9.364 1.00 0.00 H new ATOM 765 N ASP A 51 0.016 4.796 -9.108 1.00 0.00 N ATOM 766 CA ASP A 51 0.164 4.022 -10.298 1.00 0.00 C ATOM 767 C ASP A 51 0.299 2.568 -9.890 1.00 0.00 C ATOM 768 O ASP A 51 0.332 1.724 -10.780 1.00 0.00 O ATOM 769 CB ASP A 51 1.346 4.449 -11.197 1.00 0.00 C ATOM 770 CG ASP A 51 2.341 5.569 -10.838 1.00 0.00 C ATOM 771 OD1 ASP A 51 2.059 6.455 -9.997 1.00 0.00 O ATOM 772 OD2 ASP A 51 3.432 5.539 -11.458 1.00 0.00 O ATOM 0 H ASP A 51 0.716 4.521 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.721 4.188 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.943 3.552 -11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.913 4.723 -12.159 1.00 0.00 H new ATOM 777 N LEU A 52 0.329 2.236 -8.586 1.00 0.00 N ATOM 778 CA LEU A 52 -0.005 0.924 -8.170 1.00 0.00 C ATOM 779 C LEU A 52 -1.117 1.131 -7.192 1.00 0.00 C ATOM 780 O LEU A 52 -1.244 0.341 -6.274 1.00 0.00 O ATOM 781 CB LEU A 52 1.124 0.118 -7.549 1.00 0.00 C ATOM 782 CG LEU A 52 2.234 0.848 -6.830 1.00 0.00 C ATOM 783 CD1 LEU A 52 1.817 1.763 -5.711 1.00 0.00 C ATOM 784 CD2 LEU A 52 3.018 -0.228 -6.147 1.00 0.00 C ATOM 0 H LEU A 52 0.583 2.875 -7.832 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.270 0.321 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.679 -0.582 -6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.580 -0.475 -8.342 1.00 0.00 H new ATOM 0 HG LEU A 52 2.738 1.461 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.700 2.229 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.155 2.536 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.294 1.188 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.848 0.218 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.371 -0.765 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.407 -0.923 -6.891 1.00 0.00 H new ATOM 796 N ILE A 53 -1.879 2.217 -7.309 1.00 0.00 N ATOM 797 CA ILE A 53 -3.063 2.353 -6.564 1.00 0.00 C ATOM 798 C ILE A 53 -4.211 2.594 -7.549 1.00 0.00 C ATOM 799 O ILE A 53 -5.212 1.891 -7.434 1.00 0.00 O ATOM 800 CB ILE A 53 -2.831 3.298 -5.396 1.00 0.00 C ATOM 801 CG1 ILE A 53 -1.807 2.658 -4.432 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.159 3.472 -4.685 1.00 0.00 C ATOM 803 CD1 ILE A 53 -2.217 1.406 -3.723 1.00 0.00 C ATOM 0 H ILE A 53 -1.669 3.003 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.385 1.458 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.449 4.261 -5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.901 2.443 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.544 3.401 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.033 4.146 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.890 3.891 -5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.511 2.504 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.403 1.068 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.100 1.604 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.447 0.632 -4.455 1.00 0.00 H new ATOM 815 N TYR A 54 -4.074 3.492 -8.552 1.00 0.00 N ATOM 816 CA TYR A 54 -5.170 3.706 -9.512 1.00 0.00 C ATOM 817 C TYR A 54 -4.811 4.075 -10.968 1.00 0.00 C ATOM 818 O TYR A 54 -5.715 4.049 -11.804 1.00 0.00 O ATOM 819 CB TYR A 54 -6.158 4.758 -9.006 1.00 0.00 C ATOM 820 CG TYR A 54 -6.325 4.974 -7.505 1.00 0.00 C ATOM 821 CD1 TYR A 54 -7.144 4.119 -6.739 1.00 0.00 C ATOM 822 CD2 TYR A 54 -5.643 6.027 -6.860 1.00 0.00 C ATOM 823 CE1 TYR A 54 -7.440 4.420 -5.398 1.00 0.00 C ATOM 824 CE2 TYR A 54 -5.827 6.248 -5.482 1.00 0.00 C ATOM 825 CZ TYR A 54 -6.795 5.504 -4.769 1.00 0.00 C ATOM 826 OH TYR A 54 -7.030 5.753 -3.454 1.00 0.00 O ATOM 0 H TYR A 54 -3.243 4.061 -8.712 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.594 2.703 -9.563 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.869 5.714 -9.443 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.138 4.506 -9.410 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.548 3.223 -7.187 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.979 6.665 -7.424 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.157 3.824 -4.853 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.228 6.986 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.938 5.466 -3.224 1.00 0.00 H new ATOM 836 N TYR A 55 -3.557 4.392 -11.320 1.00 0.00 N ATOM 837 CA TYR A 55 -3.128 4.451 -12.730 1.00 0.00 C ATOM 838 C TYR A 55 -2.533 3.155 -13.356 1.00 0.00 C ATOM 839 O TYR A 55 -2.157 3.239 -14.528 1.00 0.00 O ATOM 840 CB TYR A 55 -2.190 5.651 -12.961 1.00 0.00 C ATOM 841 CG TYR A 55 -2.619 6.997 -12.397 1.00 0.00 C ATOM 842 CD1 TYR A 55 -3.975 7.389 -12.374 1.00 0.00 C ATOM 843 CD2 TYR A 55 -1.635 7.871 -11.898 1.00 0.00 C ATOM 844 CE1 TYR A 55 -4.347 8.624 -11.814 1.00 0.00 C ATOM 845 CE2 TYR A 55 -1.998 9.113 -11.353 1.00 0.00 C ATOM 846 CZ TYR A 55 -3.359 9.482 -11.283 1.00 0.00 C ATOM 847 OH TYR A 55 -3.719 10.639 -10.665 1.00 0.00 O ATOM 0 H TYR A 55 -2.820 4.612 -10.650 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.066 4.576 -13.271 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.217 5.404 -12.537 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.050 5.766 -14.036 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.730 6.737 -12.788 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.594 7.585 -11.935 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.387 8.916 -11.790 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.236 9.786 -10.987 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.916 11.109 -10.357 1.00 0.00 H new ATOM 857 N PRO A 56 -2.423 1.977 -12.697 1.00 0.00 N ATOM 858 CA PRO A 56 -2.199 0.696 -13.387 1.00 0.00 C ATOM 859 C PRO A 56 -3.513 0.250 -14.043 1.00 0.00 C ATOM 860 O PRO A 56 -4.377 1.099 -14.278 1.00 0.00 O ATOM 861 CB PRO A 56 -1.743 -0.264 -12.280 1.00 0.00 C ATOM 862 CG PRO A 56 -2.627 0.195 -11.126 1.00 0.00 C ATOM 863 CD PRO A 56 -2.763 1.683 -11.312 1.00 0.00 C ATOM 0 HA PRO A 56 -1.456 0.744 -14.183 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.913 -1.308 -12.542 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.682 -0.161 -12.054 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.599 -0.297 -11.153 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.175 -0.043 -10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.779 2.007 -11.088 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.101 2.218 -10.631 1.00 0.00 H new ATOM 871 N LYS A 57 -3.643 -1.057 -14.358 1.00 0.00 N ATOM 872 CA LYS A 57 -4.858 -1.871 -14.587 1.00 0.00 C ATOM 873 C LYS A 57 -4.901 -2.487 -15.964 1.00 0.00 C ATOM 874 O LYS A 57 -5.540 -3.498 -16.243 1.00 0.00 O ATOM 875 CB LYS A 57 -6.096 -1.026 -14.401 1.00 0.00 C ATOM 876 CG LYS A 57 -7.403 -1.806 -14.547 1.00 0.00 C ATOM 877 CD LYS A 57 -8.533 -0.894 -14.103 1.00 0.00 C ATOM 878 CE LYS A 57 -9.134 -0.023 -15.232 1.00 0.00 C ATOM 879 NZ LYS A 57 -8.125 0.591 -16.133 1.00 0.00 N ATOM 0 H LYS A 57 -2.807 -1.631 -14.470 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.826 -2.679 -13.856 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.066 -0.567 -13.413 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.084 -0.215 -15.130 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.548 -2.120 -15.581 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.379 -2.710 -13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.326 -1.503 -13.670 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.166 -0.240 -13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.810 -0.636 -15.827 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.734 0.769 -14.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.603 1.211 -16.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.452 1.150 -15.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.613 -0.158 -16.642 1.00 0.00 H new ATOM 893 N GLU A 58 -4.109 -1.890 -16.830 1.00 0.00 N ATOM 894 CA GLU A 58 -4.346 -1.989 -18.254 1.00 0.00 C ATOM 895 C GLU A 58 -3.736 -3.041 -19.144 1.00 0.00 C ATOM 896 O GLU A 58 -3.654 -2.994 -20.373 1.00 0.00 O ATOM 897 CB GLU A 58 -4.286 -0.624 -18.798 1.00 0.00 C ATOM 898 CG GLU A 58 -5.484 -0.408 -19.702 1.00 0.00 C ATOM 899 CD GLU A 58 -6.740 0.003 -18.903 1.00 0.00 C ATOM 900 OE1 GLU A 58 -7.374 -0.876 -18.276 1.00 0.00 O ATOM 901 OE2 GLU A 58 -7.084 1.203 -18.817 1.00 0.00 O ATOM 0 H GLU A 58 -3.296 -1.331 -16.572 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.324 -2.468 -18.292 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.287 0.106 -17.988 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.361 -0.480 -19.356 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.251 0.364 -20.435 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.690 -1.323 -20.257 1.00 0.00 H new ATOM 908 N GLY A 59 -3.335 -4.013 -18.410 1.00 0.00 N ATOM 909 CA GLY A 59 -2.366 -4.996 -18.758 1.00 0.00 C ATOM 910 C GLY A 59 -1.629 -5.390 -17.478 1.00 0.00 C ATOM 911 O GLY A 59 -0.782 -6.281 -17.508 1.00 0.00 O ATOM 0 H GLY A 59 -3.705 -4.157 -17.470 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.846 -5.866 -19.207 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.668 -4.601 -19.496 1.00 0.00 H new ATOM 915 N ASP A 60 -1.983 -4.736 -16.362 1.00 0.00 N ATOM 916 CA ASP A 60 -1.165 -4.618 -15.172 1.00 0.00 C ATOM 917 C ASP A 60 -2.062 -4.868 -13.994 1.00 0.00 C ATOM 918 O ASP A 60 -3.028 -4.141 -13.797 1.00 0.00 O ATOM 919 CB ASP A 60 -0.519 -3.228 -15.117 1.00 0.00 C ATOM 920 CG ASP A 60 0.634 -3.096 -16.115 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.749 -3.561 -15.787 1.00 0.00 O ATOM 922 OD2 ASP A 60 0.377 -2.545 -17.211 1.00 0.00 O ATOM 0 H ASP A 60 -2.882 -4.262 -16.272 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.350 -5.342 -15.171 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.272 -2.469 -15.329 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.150 -3.038 -14.109 1.00 0.00 H new ATOM 927 N ASP A 61 -1.778 -5.969 -13.303 1.00 0.00 N ATOM 928 CA ASP A 61 -2.592 -6.500 -12.222 1.00 0.00 C ATOM 929 C ASP A 61 -2.631 -5.548 -11.036 1.00 0.00 C ATOM 930 O ASP A 61 -1.731 -5.527 -10.201 1.00 0.00 O ATOM 931 CB ASP A 61 -2.277 -7.917 -11.811 1.00 0.00 C ATOM 932 CG ASP A 61 -3.097 -8.429 -10.608 1.00 0.00 C ATOM 933 OD1 ASP A 61 -4.247 -7.971 -10.393 1.00 0.00 O ATOM 934 OD2 ASP A 61 -2.584 -9.321 -9.890 1.00 0.00 O ATOM 0 H ASP A 61 -0.948 -6.531 -13.489 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.597 -6.570 -12.639 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.452 -8.576 -12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.217 -7.985 -11.568 1.00 0.00 H new ATOM 939 N ASP A 62 -3.676 -4.745 -10.995 1.00 0.00 N ATOM 940 CA ASP A 62 -3.991 -3.719 -10.021 1.00 0.00 C ATOM 941 C ASP A 62 -5.151 -4.173 -9.132 1.00 0.00 C ATOM 942 O ASP A 62 -5.685 -3.363 -8.368 1.00 0.00 O ATOM 943 CB ASP A 62 -4.533 -2.518 -10.803 1.00 0.00 C ATOM 944 CG ASP A 62 -5.972 -2.698 -11.338 1.00 0.00 C ATOM 945 OD1 ASP A 62 -6.259 -3.791 -11.880 1.00 0.00 O ATOM 946 OD2 ASP A 62 -6.761 -1.727 -11.276 1.00 0.00 O ATOM 0 H ASP A 62 -4.397 -4.801 -11.715 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.105 -3.500 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.506 -1.639 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.869 -2.318 -11.644 1.00 0.00 H new ATOM 951 N SER A 63 -5.565 -5.449 -9.196 1.00 0.00 N ATOM 952 CA SER A 63 -6.533 -5.948 -8.228 1.00 0.00 C ATOM 953 C SER A 63 -5.988 -5.583 -6.836 1.00 0.00 C ATOM 954 O SER A 63 -4.763 -5.551 -6.705 1.00 0.00 O ATOM 955 CB SER A 63 -6.710 -7.466 -8.341 1.00 0.00 C ATOM 956 OG SER A 63 -6.758 -7.949 -9.668 1.00 0.00 O ATOM 0 H SER A 63 -5.252 -6.129 -9.888 1.00 0.00 H new ATOM 0 HA SER A 63 -7.511 -5.503 -8.408 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.888 -7.956 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.629 -7.752 -7.829 1.00 0.00 H new ATOM 0 HG SER A 63 -5.872 -8.278 -9.929 1.00 0.00 H new ATOM 962 N PRO A 64 -6.801 -5.382 -5.778 1.00 0.00 N ATOM 963 CA PRO A 64 -6.384 -4.843 -4.475 1.00 0.00 C ATOM 964 C PRO A 64 -5.267 -5.575 -3.740 1.00 0.00 C ATOM 965 O PRO A 64 -4.847 -5.206 -2.652 1.00 0.00 O ATOM 966 CB PRO A 64 -7.636 -4.871 -3.626 1.00 0.00 C ATOM 967 CG PRO A 64 -8.710 -4.561 -4.662 1.00 0.00 C ATOM 968 CD PRO A 64 -8.242 -5.494 -5.769 1.00 0.00 C ATOM 0 HA PRO A 64 -5.953 -3.858 -4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.790 -5.841 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.608 -4.128 -2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.715 -4.794 -4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.713 -3.514 -4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.556 -6.520 -5.577 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.665 -5.206 -6.731 1.00 0.00 H new ATOM 976 N SER A 65 -4.864 -6.661 -4.352 1.00 0.00 N ATOM 977 CA SER A 65 -3.812 -7.597 -4.195 1.00 0.00 C ATOM 978 C SER A 65 -2.657 -7.510 -5.155 1.00 0.00 C ATOM 979 O SER A 65 -1.541 -7.432 -4.669 1.00 0.00 O ATOM 980 CB SER A 65 -4.508 -8.939 -4.223 1.00 0.00 C ATOM 981 OG SER A 65 -5.435 -9.078 -5.296 1.00 0.00 O ATOM 0 H SER A 65 -5.415 -6.955 -5.159 1.00 0.00 H new ATOM 0 HA SER A 65 -3.284 -7.392 -3.264 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.758 -9.726 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.033 -9.087 -3.279 1.00 0.00 H new ATOM 0 HG SER A 65 -5.848 -9.966 -5.258 1.00 0.00 H new ATOM 987 N GLY A 66 -2.895 -7.564 -6.451 1.00 0.00 N ATOM 988 CA GLY A 66 -2.033 -7.339 -7.569 1.00 0.00 C ATOM 989 C GLY A 66 -1.290 -6.033 -7.444 1.00 0.00 C ATOM 990 O GLY A 66 -0.106 -5.978 -7.745 1.00 0.00 O ATOM 0 H GLY A 66 -3.833 -7.801 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.319 -8.158 -7.649 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.620 -7.338 -8.487 1.00 0.00 H new ATOM 994 N ILE A 67 -1.914 -4.994 -6.899 1.00 0.00 N ATOM 995 CA ILE A 67 -1.185 -3.763 -6.672 1.00 0.00 C ATOM 996 C ILE A 67 -0.168 -3.847 -5.568 1.00 0.00 C ATOM 997 O ILE A 67 0.973 -3.397 -5.664 1.00 0.00 O ATOM 998 CB ILE A 67 -2.083 -2.573 -6.350 1.00 0.00 C ATOM 999 CG1 ILE A 67 -3.183 -2.905 -5.343 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.628 -1.911 -7.590 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.318 -1.870 -5.255 1.00 0.00 C ATOM 0 H ILE A 67 -2.894 -4.982 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.682 -3.611 -7.627 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.439 -1.843 -5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.613 -3.872 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.732 -3.012 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.261 -1.070 -7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.802 -1.552 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.216 -2.631 -8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.049 -2.194 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.907 -0.904 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.803 -1.778 -6.227 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.576 -4.481 -4.495 1.00 0.00 N ATOM 1014 CA VAL A 68 0.327 -4.710 -3.389 1.00 0.00 C ATOM 1015 C VAL A 68 1.373 -5.684 -3.902 1.00 0.00 C ATOM 1016 O VAL A 68 2.532 -5.629 -3.523 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.485 -5.269 -2.232 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.265 -5.054 -0.914 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.806 -4.549 -2.126 1.00 0.00 C ATOM 0 H VAL A 68 -1.519 -4.846 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 68 0.824 -3.810 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.645 -6.332 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.324 -5.457 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.228 -5.564 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.426 -3.987 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.378 -4.959 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.629 -3.487 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.367 -4.680 -3.051 1.00 0.00 H new ATOM 1029 N ASN A 69 0.955 -6.535 -4.829 1.00 0.00 N ATOM 1030 CA ASN A 69 1.773 -7.414 -5.645 1.00 0.00 C ATOM 1031 C ASN A 69 2.751 -6.656 -6.487 1.00 0.00 C ATOM 1032 O ASN A 69 3.851 -7.136 -6.693 1.00 0.00 O ATOM 1033 CB ASN A 69 0.998 -8.351 -6.505 1.00 0.00 C ATOM 1034 CG ASN A 69 1.375 -9.809 -6.313 1.00 0.00 C ATOM 1035 OD1 ASN A 69 2.541 -10.178 -6.328 1.00 0.00 O ATOM 1036 ND2 ASN A 69 0.390 -10.650 -6.053 1.00 0.00 N ATOM 0 H ASN A 69 -0.037 -6.634 -5.044 1.00 0.00 H new ATOM 0 HA ASN A 69 2.314 -8.021 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.064 -8.229 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.149 -8.080 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.594 -11.630 -5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.575 -10.319 -6.046 1.00 0.00 H new ATOM 1043 N THR A 70 2.377 -5.488 -6.973 1.00 0.00 N ATOM 1044 CA THR A 70 3.230 -4.755 -7.855 1.00 0.00 C ATOM 1045 C THR A 70 4.400 -4.275 -6.999 1.00 0.00 C ATOM 1046 O THR A 70 5.575 -4.385 -7.362 1.00 0.00 O ATOM 1047 CB THR A 70 2.455 -3.589 -8.478 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.394 -4.082 -9.270 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.309 -2.680 -9.365 1.00 0.00 C ATOM 0 H THR A 70 1.486 -5.036 -6.765 1.00 0.00 H new ATOM 0 HA THR A 70 3.592 -5.361 -8.686 1.00 0.00 H new ATOM 0 HB THR A 70 2.096 -2.997 -7.636 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.839 -4.686 -8.734 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.689 -1.879 -9.769 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.118 -2.250 -8.774 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.729 -3.262 -10.185 1.00 0.00 H new ATOM 1057 N VAL A 71 4.060 -3.876 -5.766 1.00 0.00 N ATOM 1058 CA VAL A 71 5.037 -3.654 -4.734 1.00 0.00 C ATOM 1059 C VAL A 71 5.828 -4.897 -4.537 1.00 0.00 C ATOM 1060 O VAL A 71 7.036 -4.831 -4.504 1.00 0.00 O ATOM 1061 CB VAL A 71 4.431 -3.117 -3.410 1.00 0.00 C ATOM 1062 CG1 VAL A 71 4.864 -3.717 -2.083 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.839 -1.689 -3.494 1.00 0.00 C ATOM 0 H VAL A 71 3.098 -3.703 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 71 5.702 -2.857 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 71 3.370 -3.362 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.338 -3.218 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.627 -4.781 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.938 -3.583 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.480 -1.156 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.926 -1.623 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.410 -1.240 -4.390 1.00 0.00 H new ATOM 1073 N LYS A 72 5.176 -6.028 -4.424 1.00 0.00 N ATOM 1074 CA LYS A 72 5.826 -7.293 -4.066 1.00 0.00 C ATOM 1075 C LYS A 72 6.854 -7.833 -5.029 1.00 0.00 C ATOM 1076 O LYS A 72 7.369 -8.924 -4.853 1.00 0.00 O ATOM 1077 CB LYS A 72 4.791 -8.386 -3.875 1.00 0.00 C ATOM 1078 CG LYS A 72 4.927 -8.716 -2.416 1.00 0.00 C ATOM 1079 CD LYS A 72 4.192 -7.591 -1.716 1.00 0.00 C ATOM 1080 CE LYS A 72 2.718 -8.062 -1.579 1.00 0.00 C ATOM 1081 NZ LYS A 72 1.981 -7.635 -0.384 1.00 0.00 N ATOM 0 H LYS A 72 4.171 -6.111 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 72 6.362 -7.033 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.787 -8.040 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.994 -9.251 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.487 -9.686 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.973 -8.759 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.629 -7.388 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.254 -6.667 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.170 -7.714 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.708 -9.152 -1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.011 -7.371 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.951 -8.416 0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.458 -6.816 0.044 1.00 0.00 H new ATOM 1095 N GLN A 73 7.058 -7.083 -6.076 1.00 0.00 N ATOM 1096 CA GLN A 73 7.782 -7.313 -7.265 1.00 0.00 C ATOM 1097 C GLN A 73 8.830 -6.232 -7.407 1.00 0.00 C ATOM 1098 O GLN A 73 9.999 -6.557 -7.519 1.00 0.00 O ATOM 1099 CB GLN A 73 6.832 -7.514 -8.446 1.00 0.00 C ATOM 1100 CG GLN A 73 6.033 -8.769 -8.087 1.00 0.00 C ATOM 1101 CD GLN A 73 5.111 -9.269 -9.182 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.548 -9.801 -10.196 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.820 -9.111 -8.960 1.00 0.00 N ATOM 0 H GLN A 73 6.646 -6.150 -6.100 1.00 0.00 H new ATOM 0 HA GLN A 73 8.337 -8.251 -7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.178 -6.652 -8.580 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.381 -7.646 -9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.731 -9.565 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.439 -8.562 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.501 -8.662 -8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.141 -9.438 -9.647 1.00 0.00 H new ATOM 1112 N TRP A 74 8.475 -4.964 -7.220 1.00 0.00 N ATOM 1113 CA TRP A 74 9.424 -3.895 -6.970 1.00 0.00 C ATOM 1114 C TRP A 74 10.189 -4.168 -5.677 1.00 0.00 C ATOM 1115 O TRP A 74 11.362 -4.509 -5.700 1.00 0.00 O ATOM 1116 CB TRP A 74 8.786 -2.539 -6.999 1.00 0.00 C ATOM 1117 CG TRP A 74 9.844 -1.515 -7.286 1.00 0.00 C ATOM 1118 CD1 TRP A 74 10.270 -1.192 -8.521 1.00 0.00 C ATOM 1119 CD2 TRP A 74 10.665 -0.718 -6.396 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.386 -0.391 -8.463 1.00 0.00 N ATOM 1121 CE2 TRP A 74 11.627 0.001 -7.172 1.00 0.00 C ATOM 1122 CE3 TRP A 74 10.631 -0.461 -5.019 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.502 0.943 -6.619 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.470 0.517 -4.478 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.410 1.216 -5.251 1.00 0.00 C ATOM 0 H TRP A 74 7.505 -4.651 -7.239 1.00 0.00 H new ATOM 0 HA TRP A 74 10.145 -3.882 -7.787 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.009 -2.503 -7.763 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.305 -2.327 -6.044 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.798 -1.519 -9.436 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.954 -0.126 -9.267 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.960 -1.016 -4.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.232 1.448 -7.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.392 0.744 -3.425 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.053 1.954 -4.795 1.00 0.00 H new ATOM 1136 N ARG A 75 9.529 -4.142 -4.523 1.00 0.00 N ATOM 1137 CA ARG A 75 10.039 -4.553 -3.221 1.00 0.00 C ATOM 1138 C ARG A 75 10.539 -5.991 -3.156 1.00 0.00 C ATOM 1139 O ARG A 75 11.041 -6.381 -2.108 1.00 0.00 O ATOM 1140 CB ARG A 75 8.933 -4.453 -2.120 1.00 0.00 C ATOM 1141 CG ARG A 75 8.449 -3.055 -1.687 1.00 0.00 C ATOM 1142 CD ARG A 75 7.867 -3.076 -0.259 1.00 0.00 C ATOM 1143 NE ARG A 75 8.855 -3.064 0.836 1.00 0.00 N ATOM 1144 CZ ARG A 75 9.566 -2.020 1.286 1.00 0.00 C ATOM 1145 NH1 ARG A 75 9.573 -0.860 0.653 1.00 0.00 N ATOM 1146 NH2 ARG A 75 10.345 -2.146 2.350 1.00 0.00 N ATOM 0 H ARG A 75 8.565 -3.813 -4.470 1.00 0.00 H new ATOM 0 HA ARG A 75 10.872 -3.870 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.065 -5.010 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.302 -4.965 -1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.280 -2.351 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.691 -2.699 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.211 -2.213 -0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.246 -3.965 -0.153 1.00 0.00 H new ATOM 0 HE ARG A 75 9.016 -3.955 1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.028 -0.742 -0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.123 -0.083 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.407 -3.042 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.883 -1.347 2.686 1.00 0.00 H new ATOM 1160 N ALA A 76 10.445 -6.767 -4.220 1.00 0.00 N ATOM 1161 CA ALA A 76 11.136 -8.049 -4.310 1.00 0.00 C ATOM 1162 C ALA A 76 12.337 -8.084 -5.222 1.00 0.00 C ATOM 1163 O ALA A 76 13.293 -8.810 -4.968 1.00 0.00 O ATOM 1164 CB ALA A 76 10.180 -9.178 -4.639 1.00 0.00 C ATOM 0 H ALA A 76 9.892 -6.532 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 76 11.542 -8.194 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.732 -10.116 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.421 -9.251 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.699 -8.980 -5.597 1.00 0.00 H new ATOM 1170 N ALA A 77 12.313 -7.245 -6.234 1.00 0.00 N ATOM 1171 CA ALA A 77 13.352 -7.177 -7.250 1.00 0.00 C ATOM 1172 C ALA A 77 14.435 -6.223 -6.823 1.00 0.00 C ATOM 1173 O ALA A 77 15.629 -6.494 -6.890 1.00 0.00 O ATOM 1174 CB ALA A 77 12.748 -6.712 -8.579 1.00 0.00 C ATOM 0 H ALA A 77 11.558 -6.576 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 77 13.785 -8.169 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.530 -6.663 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.980 -7.417 -8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.304 -5.725 -8.451 1.00 0.00 H new ATOM 1180 N ASN A 78 13.961 -5.111 -6.295 1.00 0.00 N ATOM 1181 CA ASN A 78 14.696 -4.210 -5.464 1.00 0.00 C ATOM 1182 C ASN A 78 14.989 -4.806 -4.096 1.00 0.00 C ATOM 1183 O ASN A 78 15.756 -4.265 -3.305 1.00 0.00 O ATOM 1184 CB ASN A 78 13.839 -2.959 -5.339 1.00 0.00 C ATOM 1185 CG ASN A 78 14.734 -1.729 -5.176 1.00 0.00 C ATOM 1186 OD1 ASN A 78 14.804 -0.876 -6.042 1.00 0.00 O ATOM 1187 ND2 ASN A 78 15.509 -1.624 -4.107 1.00 0.00 N ATOM 0 H ASN A 78 13.000 -4.806 -6.450 1.00 0.00 H new ATOM 0 HA ASN A 78 15.669 -3.990 -5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.211 -2.848 -6.223 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.171 -3.049 -4.483 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.152 -0.837 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 78 15.463 -2.330 -3.372 1.00 0.00 H new ATOM 1194 N GLY A 79 14.304 -5.903 -3.815 1.00 0.00 N ATOM 1195 CA GLY A 79 14.492 -6.743 -2.643 1.00 0.00 C ATOM 1196 C GLY A 79 14.064 -6.021 -1.375 1.00 0.00 C ATOM 1197 O GLY A 79 14.456 -6.437 -0.285 1.00 0.00 O ATOM 0 H GLY A 79 13.566 -6.249 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.915 -7.661 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.540 -7.032 -2.564 1.00 0.00 H new ATOM 1201 N LYS A 80 13.273 -4.944 -1.528 1.00 0.00 N ATOM 1202 CA LYS A 80 12.921 -4.026 -0.416 1.00 0.00 C ATOM 1203 C LYS A 80 12.542 -4.786 0.855 1.00 0.00 C ATOM 1204 O LYS A 80 12.989 -4.504 1.959 1.00 0.00 O ATOM 1205 CB LYS A 80 11.817 -3.036 -0.669 1.00 0.00 C ATOM 1206 CG LYS A 80 12.016 -2.368 -1.993 1.00 0.00 C ATOM 1207 CD LYS A 80 12.856 -1.242 -2.170 1.00 0.00 C ATOM 1208 CE LYS A 80 12.328 -0.001 -1.530 1.00 0.00 C ATOM 1209 NZ LYS A 80 13.224 1.168 -1.662 1.00 0.00 N ATOM 0 H LYS A 80 12.858 -4.681 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 80 13.845 -3.458 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.852 -3.543 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.799 -2.289 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.380 -3.136 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.026 -2.074 -2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.840 -1.464 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.991 -1.063 -3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.362 0.242 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.154 -0.195 -0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.470 1.525 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.091 0.886 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.742 1.916 -2.200 1.00 0.00 H new ATOM 1223 N SER A 81 11.665 -5.749 0.589 1.00 0.00 N ATOM 1224 CA SER A 81 10.997 -6.717 1.414 1.00 0.00 C ATOM 1225 C SER A 81 10.548 -5.996 2.656 1.00 0.00 C ATOM 1226 O SER A 81 9.822 -5.002 2.608 1.00 0.00 O ATOM 1227 CB SER A 81 11.887 -7.969 1.560 1.00 0.00 C ATOM 1228 OG SER A 81 13.189 -7.678 2.031 1.00 0.00 O ATOM 0 H SER A 81 11.368 -5.875 -0.379 1.00 0.00 H new ATOM 0 HA SER A 81 10.085 -7.136 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 81 11.408 -8.669 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.961 -8.469 0.594 1.00 0.00 H new ATOM 0 HG SER A 81 13.708 -7.252 1.317 1.00 0.00 H new ATOM 1234 N GLY A 82 11.035 -6.523 3.744 1.00 0.00 N ATOM 1235 CA GLY A 82 11.148 -5.815 4.990 1.00 0.00 C ATOM 1236 C GLY A 82 9.883 -5.289 5.606 1.00 0.00 C ATOM 1237 O GLY A 82 9.954 -4.321 6.342 1.00 0.00 O ATOM 0 H GLY A 82 11.374 -7.484 3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.623 -6.479 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.824 -4.973 4.838 1.00 0.00 H new ATOM 1241 N PHE A 83 8.755 -5.903 5.300 1.00 0.00 N ATOM 1242 CA PHE A 83 7.571 -5.833 6.114 1.00 0.00 C ATOM 1243 C PHE A 83 7.839 -6.469 7.469 1.00 0.00 C ATOM 1244 O PHE A 83 8.786 -6.180 8.215 1.00 0.00 O ATOM 1245 CB PHE A 83 6.344 -6.416 5.422 1.00 0.00 C ATOM 1246 CG PHE A 83 5.858 -5.697 4.220 1.00 0.00 C ATOM 1247 CD1 PHE A 83 6.408 -6.066 3.005 1.00 0.00 C ATOM 1248 CD2 PHE A 83 4.833 -4.738 4.292 1.00 0.00 C ATOM 1249 CE1 PHE A 83 6.052 -5.402 1.831 1.00 0.00 C ATOM 1250 CE2 PHE A 83 4.466 -4.090 3.110 1.00 0.00 C ATOM 1251 CZ PHE A 83 5.037 -4.427 1.861 1.00 0.00 C ATOM 0 H PHE A 83 8.641 -6.473 4.462 1.00 0.00 H new ATOM 0 HA PHE A 83 7.330 -4.782 6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.569 -7.444 5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.531 -6.457 6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.120 -6.877 2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.346 -4.510 5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.553 -5.635 0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.723 -3.307 3.151 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.703 -3.948 0.953 1.00 0.00 H new ATOM 1261 N LYS A 84 6.893 -7.305 7.842 1.00 0.00 N ATOM 1262 CA LYS A 84 6.690 -7.642 9.191 1.00 0.00 C ATOM 1263 C LYS A 84 6.434 -9.057 9.531 1.00 0.00 C ATOM 1264 O LYS A 84 7.372 -9.848 9.482 1.00 0.00 O ATOM 1265 CB LYS A 84 6.061 -6.417 9.822 1.00 0.00 C ATOM 1266 CG LYS A 84 5.447 -6.444 11.203 1.00 0.00 C ATOM 1267 CD LYS A 84 6.516 -6.346 12.260 1.00 0.00 C ATOM 1268 CE LYS A 84 7.888 -6.989 11.970 1.00 0.00 C ATOM 1269 NZ LYS A 84 8.804 -6.116 11.174 1.00 0.00 N ATOM 0 H LYS A 84 6.250 -7.761 7.194 1.00 0.00 H new ATOM 0 HA LYS A 84 7.568 -7.822 9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.829 -5.643 9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.281 -6.079 9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.744 -5.618 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.879 -7.365 11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.681 -5.289 12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.124 -6.795 13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.369 -7.239 12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.735 -7.925 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.775 -6.214 11.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.774 -6.401 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.501 -5.125 11.261 1.00 0.00 H new ATOM 1283 N GLN A 85 5.301 -9.275 10.158 1.00 0.00 N ATOM 1284 CA GLN A 85 5.075 -10.517 10.837 1.00 0.00 C ATOM 1285 C GLN A 85 5.352 -11.700 9.917 1.00 0.00 C ATOM 1286 O GLN A 85 5.991 -12.694 10.249 1.00 0.00 O ATOM 1287 CB GLN A 85 3.916 -10.576 11.740 1.00 0.00 C ATOM 1288 CG GLN A 85 4.171 -10.294 13.231 1.00 0.00 C ATOM 1289 CD GLN A 85 2.878 -10.227 14.046 1.00 0.00 C ATOM 1290 OE1 GLN A 85 2.735 -10.913 15.049 1.00 0.00 O ATOM 1291 NE2 GLN A 85 1.922 -9.387 13.671 1.00 0.00 N ATOM 0 H GLN A 85 4.530 -8.609 10.209 1.00 0.00 H new ATOM 0 HA GLN A 85 5.831 -10.601 11.618 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.173 -9.862 11.383 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.472 -11.568 11.655 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.814 -11.074 13.640 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.709 -9.352 13.332 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.044 -8.816 12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 85 1.065 -9.312 14.219 1.00 0.00 H new ATOM 1300 N GLY A 86 4.862 -11.419 8.731 1.00 0.00 N ATOM 1301 CA GLY A 86 5.159 -11.915 7.434 1.00 0.00 C ATOM 1302 C GLY A 86 4.656 -10.746 6.606 1.00 0.00 C ATOM 1303 O GLY A 86 5.277 -9.663 6.703 1.00 0.00 O ATOM 1304 OXT GLY A 86 3.481 -10.777 6.198 1.00 0.00 O ATOM 0 H GLY A 86 4.124 -10.718 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.223 -12.105 7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.636 -12.845 7.210 1.00 0.00 H new TER 1308 GLY A 86