USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 521 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 44 CYS SG : rot 69:sc= 0.25 USER MOD Set 1.2: A 62 ASN : amide:sc= 0 X(o=0.25,f=0.0079) USER MOD Set 2.1: A 32 CYS SG : rot -48:sc= -5.01! USER MOD Set 2.2: A 36 ASN :FLIP amide:sc= 0.353 F(o=-9.4,f=-8.7) USER MOD Set 2.3: A 43 CYS SG : rot -168:sc= -4.04 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0124 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.319 K(o=-0.32,f=-2.6!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 19 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.067) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -131:sc= -1.55 (180deg=-2.17) USER MOD Single : A 35 GLN : amide:sc= -0.0652 X(o=-0.065,f=-0.33) USER MOD Single : A 37 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.6!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.624 F(o=-1.7,f=-0.62) USER MOD Single : A 39 ASN :FLIP amide:sc= 0.615 F(o=-0.59,f=0.61) USER MOD Single : A 48 SER OG : rot 80:sc= 0.0139 USER MOD Single : A 49 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.51) USER MOD Single : A 51 SER OG : rot 75:sc= -1.8! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00619 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.265 15.277 -19.747 1.00 0.00 N ATOM 2 CA GLY A 1 5.954 13.903 -19.392 1.00 0.00 C ATOM 3 C GLY A 1 5.373 13.820 -17.979 1.00 0.00 C ATOM 4 O GLY A 1 4.588 14.678 -17.575 1.00 0.00 O ATOM 0 H1 GLY A 1 5.911 15.477 -20.704 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.812 15.922 -19.068 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.295 15.417 -19.723 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.242 13.491 -20.107 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.856 13.294 -19.455 1.00 0.00 H new ATOM 8 N SER A 2 5.779 12.780 -17.266 1.00 0.00 N ATOM 9 CA SER A 2 5.308 12.574 -15.907 1.00 0.00 C ATOM 10 C SER A 2 6.282 11.671 -15.147 1.00 0.00 C ATOM 11 O SER A 2 6.819 12.064 -14.112 1.00 0.00 O ATOM 12 CB SER A 2 3.904 11.967 -15.897 1.00 0.00 C ATOM 13 OG SER A 2 3.270 12.108 -14.629 1.00 0.00 O ATOM 0 H SER A 2 6.429 12.071 -17.604 1.00 0.00 H new ATOM 0 HA SER A 2 5.259 13.544 -15.411 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.295 12.449 -16.662 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.964 10.910 -16.157 1.00 0.00 H new ATOM 0 HG SER A 2 2.375 11.709 -14.664 1.00 0.00 H new ATOM 19 N SER A 3 6.480 10.479 -15.689 1.00 0.00 N ATOM 20 CA SER A 3 7.380 9.518 -15.075 1.00 0.00 C ATOM 21 C SER A 3 7.706 8.399 -16.066 1.00 0.00 C ATOM 22 O SER A 3 6.922 8.118 -16.971 1.00 0.00 O ATOM 23 CB SER A 3 6.774 8.935 -13.797 1.00 0.00 C ATOM 24 OG SER A 3 7.762 8.701 -12.796 1.00 0.00 O ATOM 0 H SER A 3 6.032 10.156 -16.547 1.00 0.00 H new ATOM 0 HA SER A 3 8.301 10.035 -14.805 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.019 9.619 -13.409 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.266 7.999 -14.031 1.00 0.00 H new ATOM 0 HG SER A 3 7.335 8.330 -11.995 1.00 0.00 H new ATOM 30 N GLY A 4 8.865 7.789 -15.861 1.00 0.00 N ATOM 31 CA GLY A 4 9.304 6.707 -16.725 1.00 0.00 C ATOM 32 C GLY A 4 9.754 5.497 -15.904 1.00 0.00 C ATOM 33 O GLY A 4 9.650 5.501 -14.678 1.00 0.00 O ATOM 0 H GLY A 4 9.513 8.024 -15.109 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.492 6.417 -17.391 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.125 7.050 -17.354 1.00 0.00 H new ATOM 37 N SER A 5 10.246 4.491 -16.612 1.00 0.00 N ATOM 38 CA SER A 5 10.713 3.277 -15.963 1.00 0.00 C ATOM 39 C SER A 5 9.554 2.595 -15.233 1.00 0.00 C ATOM 40 O SER A 5 8.831 3.237 -14.473 1.00 0.00 O ATOM 41 CB SER A 5 11.852 3.578 -14.987 1.00 0.00 C ATOM 42 OG SER A 5 12.069 2.506 -14.074 1.00 0.00 O ATOM 0 H SER A 5 10.332 4.491 -17.628 1.00 0.00 H new ATOM 0 HA SER A 5 11.096 2.604 -16.730 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.768 3.769 -15.546 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.623 4.487 -14.431 1.00 0.00 H new ATOM 0 HG SER A 5 12.805 2.736 -13.469 1.00 0.00 H new ATOM 48 N SER A 6 9.414 1.303 -15.489 1.00 0.00 N ATOM 49 CA SER A 6 8.356 0.527 -14.866 1.00 0.00 C ATOM 50 C SER A 6 8.761 -0.947 -14.792 1.00 0.00 C ATOM 51 O SER A 6 9.377 -1.472 -15.719 1.00 0.00 O ATOM 52 CB SER A 6 7.039 0.677 -15.630 1.00 0.00 C ATOM 53 OG SER A 6 7.008 -0.129 -16.805 1.00 0.00 O ATOM 0 H SER A 6 10.016 0.774 -16.120 1.00 0.00 H new ATOM 0 HA SER A 6 8.204 0.907 -13.856 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.209 0.401 -14.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.896 1.722 -15.904 1.00 0.00 H new ATOM 0 HG SER A 6 6.151 -0.006 -17.263 1.00 0.00 H new ATOM 59 N GLY A 7 8.400 -1.572 -13.682 1.00 0.00 N ATOM 60 CA GLY A 7 8.719 -2.975 -13.475 1.00 0.00 C ATOM 61 C GLY A 7 9.090 -3.243 -12.015 1.00 0.00 C ATOM 62 O GLY A 7 8.353 -3.918 -11.298 1.00 0.00 O ATOM 0 H GLY A 7 7.889 -1.133 -12.916 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.865 -3.591 -13.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.547 -3.263 -14.123 1.00 0.00 H new ATOM 66 N GLN A 8 10.232 -2.702 -11.619 1.00 0.00 N ATOM 67 CA GLN A 8 10.710 -2.874 -10.258 1.00 0.00 C ATOM 68 C GLN A 8 10.102 -1.809 -9.343 1.00 0.00 C ATOM 69 O GLN A 8 9.815 -0.698 -9.784 1.00 0.00 O ATOM 70 CB GLN A 8 12.239 -2.836 -10.204 1.00 0.00 C ATOM 71 CG GLN A 8 12.791 -4.037 -9.434 1.00 0.00 C ATOM 72 CD GLN A 8 13.976 -4.664 -10.171 1.00 0.00 C ATOM 73 OE1 GLN A 8 14.185 -4.455 -11.354 1.00 0.00 O ATOM 74 NE2 GLN A 8 14.738 -5.442 -9.407 1.00 0.00 N ATOM 0 H GLN A 8 10.841 -2.144 -12.217 1.00 0.00 H new ATOM 0 HA GLN A 8 10.392 -3.854 -9.903 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.642 -2.832 -11.217 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.567 -1.912 -9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.103 -3.723 -8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.005 -4.781 -9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.506 -5.574 -8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.554 -5.906 -9.806 1.00 0.00 H new ATOM 83 N ILE A 9 9.925 -2.187 -8.085 1.00 0.00 N ATOM 84 CA ILE A 9 9.356 -1.278 -7.104 1.00 0.00 C ATOM 85 C ILE A 9 9.942 0.120 -7.311 1.00 0.00 C ATOM 86 O ILE A 9 11.116 0.261 -7.649 1.00 0.00 O ATOM 87 CB ILE A 9 9.555 -1.825 -5.689 1.00 0.00 C ATOM 88 CG1 ILE A 9 8.456 -2.826 -5.329 1.00 0.00 C ATOM 89 CG2 ILE A 9 9.650 -0.687 -4.670 1.00 0.00 C ATOM 90 CD1 ILE A 9 7.117 -2.118 -5.114 1.00 0.00 C ATOM 0 H ILE A 9 10.165 -3.110 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 9 8.278 -1.196 -7.241 1.00 0.00 H new ATOM 0 HB ILE A 9 10.503 -2.363 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.357 -3.564 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.734 -3.367 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.791 -1.103 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.495 -0.045 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.731 -0.101 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.354 -2.853 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.213 -1.398 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.830 -1.598 -6.028 1.00 0.00 H new ATOM 102 N ASP A 10 9.097 1.118 -7.100 1.00 0.00 N ATOM 103 CA ASP A 10 9.516 2.500 -7.259 1.00 0.00 C ATOM 104 C ASP A 10 9.521 3.188 -5.892 1.00 0.00 C ATOM 105 O ASP A 10 8.471 3.590 -5.392 1.00 0.00 O ATOM 106 CB ASP A 10 8.554 3.266 -8.170 1.00 0.00 C ATOM 107 CG ASP A 10 8.956 4.712 -8.465 1.00 0.00 C ATOM 108 OD1 ASP A 10 9.497 5.351 -7.536 1.00 0.00 O ATOM 109 OD2 ASP A 10 8.714 5.146 -9.611 1.00 0.00 O ATOM 0 H ASP A 10 8.124 0.997 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 10 10.512 2.501 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.467 2.729 -9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.565 3.266 -7.711 1.00 0.00 H new ATOM 114 N PHE A 11 10.714 3.302 -5.327 1.00 0.00 N ATOM 115 CA PHE A 11 10.869 3.934 -4.028 1.00 0.00 C ATOM 116 C PHE A 11 10.353 5.374 -4.053 1.00 0.00 C ATOM 117 O PHE A 11 9.496 5.744 -3.252 1.00 0.00 O ATOM 118 CB PHE A 11 12.366 3.947 -3.713 1.00 0.00 C ATOM 119 CG PHE A 11 12.870 2.671 -3.035 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.151 1.521 -3.130 1.00 0.00 C ATOM 121 CD2 PHE A 11 14.038 2.688 -2.337 1.00 0.00 C ATOM 122 CE1 PHE A 11 12.619 0.337 -2.500 1.00 0.00 C ATOM 123 CE2 PHE A 11 14.506 1.504 -1.708 1.00 0.00 C ATOM 124 CZ PHE A 11 13.787 0.354 -1.803 1.00 0.00 C ATOM 0 H PHE A 11 11.582 2.967 -5.745 1.00 0.00 H new ATOM 0 HA PHE A 11 10.300 3.386 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 11 12.921 4.097 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.584 4.799 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.224 1.508 -3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 11 14.609 3.602 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.048 -0.576 -2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.433 1.517 -1.154 1.00 0.00 H new ATOM 0 HZ PHE A 11 14.143 -0.546 -1.325 1.00 0.00 H new ATOM 134 N GLN A 12 10.895 6.147 -4.983 1.00 0.00 N ATOM 135 CA GLN A 12 10.500 7.538 -5.123 1.00 0.00 C ATOM 136 C GLN A 12 8.977 7.666 -5.057 1.00 0.00 C ATOM 137 O GLN A 12 8.455 8.618 -4.477 1.00 0.00 O ATOM 138 CB GLN A 12 11.045 8.134 -6.423 1.00 0.00 C ATOM 139 CG GLN A 12 11.006 9.663 -6.383 1.00 0.00 C ATOM 140 CD GLN A 12 11.392 10.256 -7.740 1.00 0.00 C ATOM 141 OE1 GLN A 12 12.555 10.452 -8.053 1.00 0.00 O ATOM 142 NE2 GLN A 12 10.354 10.531 -8.525 1.00 0.00 N ATOM 0 H GLN A 12 11.604 5.836 -5.647 1.00 0.00 H new ATOM 0 HA GLN A 12 10.929 8.103 -4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.069 7.797 -6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.457 7.773 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.006 9.998 -6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.688 10.028 -5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.405 10.342 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.507 10.931 -9.451 1.00 0.00 H new ATOM 151 N VAL A 13 8.306 6.695 -5.659 1.00 0.00 N ATOM 152 CA VAL A 13 6.853 6.688 -5.675 1.00 0.00 C ATOM 153 C VAL A 13 6.335 6.214 -4.316 1.00 0.00 C ATOM 154 O VAL A 13 5.316 6.704 -3.831 1.00 0.00 O ATOM 155 CB VAL A 13 6.348 5.833 -6.840 1.00 0.00 C ATOM 156 CG1 VAL A 13 4.830 5.650 -6.766 1.00 0.00 C ATOM 157 CG2 VAL A 13 6.763 6.436 -8.183 1.00 0.00 C ATOM 0 H VAL A 13 8.742 5.908 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 13 6.467 7.694 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 13 6.809 4.849 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.496 5.039 -7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.568 5.156 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.343 6.624 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.392 5.809 -8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.343 7.438 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.850 6.492 -8.236 1.00 0.00 H new ATOM 167 N LEU A 14 7.059 5.265 -3.740 1.00 0.00 N ATOM 168 CA LEU A 14 6.684 4.720 -2.447 1.00 0.00 C ATOM 169 C LEU A 14 6.821 5.808 -1.380 1.00 0.00 C ATOM 170 O LEU A 14 5.857 6.125 -0.685 1.00 0.00 O ATOM 171 CB LEU A 14 7.493 3.456 -2.144 1.00 0.00 C ATOM 172 CG LEU A 14 7.946 3.282 -0.693 1.00 0.00 C ATOM 173 CD1 LEU A 14 6.835 2.663 0.158 1.00 0.00 C ATOM 174 CD2 LEU A 14 9.244 2.475 -0.617 1.00 0.00 C ATOM 0 H LEU A 14 7.903 4.860 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 14 5.639 4.409 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.894 2.589 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.376 3.452 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 14 8.156 4.269 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.183 2.550 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.959 3.312 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.570 1.685 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.544 2.366 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.086 1.489 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.028 2.994 -1.168 1.00 0.00 H new ATOM 186 N HIS A 15 8.026 6.350 -1.285 1.00 0.00 N ATOM 187 CA HIS A 15 8.302 7.396 -0.314 1.00 0.00 C ATOM 188 C HIS A 15 7.121 8.367 -0.257 1.00 0.00 C ATOM 189 O HIS A 15 6.501 8.535 0.792 1.00 0.00 O ATOM 190 CB HIS A 15 9.627 8.093 -0.628 1.00 0.00 C ATOM 191 CG HIS A 15 9.977 9.207 0.329 1.00 0.00 C ATOM 192 ND1 HIS A 15 9.563 10.514 0.142 1.00 0.00 N ATOM 193 CD2 HIS A 15 10.704 9.195 1.483 1.00 0.00 C ATOM 194 CE1 HIS A 15 10.026 11.248 1.143 1.00 0.00 C ATOM 195 NE2 HIS A 15 10.734 10.429 1.973 1.00 0.00 N ATOM 0 H HIS A 15 8.823 6.085 -1.864 1.00 0.00 H new ATOM 0 HA HIS A 15 8.415 6.957 0.677 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.427 7.353 -0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.582 8.497 -1.639 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.175 8.329 1.924 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.870 12.308 1.278 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.208 10.717 2.829 1.00 0.00 H new ATOM 203 N ASP A 16 6.845 8.981 -1.399 1.00 0.00 N ATOM 204 CA ASP A 16 5.749 9.930 -1.492 1.00 0.00 C ATOM 205 C ASP A 16 4.531 9.371 -0.754 1.00 0.00 C ATOM 206 O ASP A 16 3.829 10.107 -0.061 1.00 0.00 O ATOM 207 CB ASP A 16 5.350 10.169 -2.949 1.00 0.00 C ATOM 208 CG ASP A 16 4.589 11.472 -3.206 1.00 0.00 C ATOM 209 OD1 ASP A 16 3.369 11.479 -2.937 1.00 0.00 O ATOM 210 OD2 ASP A 16 5.246 12.431 -3.666 1.00 0.00 O ATOM 0 H ASP A 16 7.362 8.839 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 16 6.079 10.870 -1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.251 10.165 -3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.734 9.334 -3.283 1.00 0.00 H new ATOM 215 N LEU A 17 4.318 8.075 -0.926 1.00 0.00 N ATOM 216 CA LEU A 17 3.197 7.409 -0.285 1.00 0.00 C ATOM 217 C LEU A 17 3.479 7.273 1.213 1.00 0.00 C ATOM 218 O LEU A 17 2.654 7.657 2.041 1.00 0.00 O ATOM 219 CB LEU A 17 2.897 6.078 -0.977 1.00 0.00 C ATOM 220 CG LEU A 17 2.534 6.161 -2.461 1.00 0.00 C ATOM 221 CD1 LEU A 17 2.772 4.820 -3.160 1.00 0.00 C ATOM 222 CD2 LEU A 17 1.099 6.658 -2.648 1.00 0.00 C ATOM 0 H LEU A 17 4.903 7.468 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 17 2.291 8.006 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.769 5.432 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.076 5.594 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 17 3.192 6.891 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.506 4.907 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.823 4.546 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.156 4.052 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.867 6.708 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.409 5.971 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.997 7.650 -2.208 1.00 0.00 H new ATOM 234 N ARG A 18 4.647 6.726 1.515 1.00 0.00 N ATOM 235 CA ARG A 18 5.048 6.535 2.899 1.00 0.00 C ATOM 236 C ARG A 18 4.612 7.730 3.748 1.00 0.00 C ATOM 237 O ARG A 18 3.880 7.569 4.724 1.00 0.00 O ATOM 238 CB ARG A 18 6.564 6.362 3.014 1.00 0.00 C ATOM 239 CG ARG A 18 7.000 4.987 2.505 1.00 0.00 C ATOM 240 CD ARG A 18 7.895 4.282 3.526 1.00 0.00 C ATOM 241 NE ARG A 18 8.927 3.483 2.828 1.00 0.00 N ATOM 242 CZ ARG A 18 10.047 3.031 3.409 1.00 0.00 C ATOM 243 NH1 ARG A 18 10.288 3.298 4.699 1.00 0.00 N ATOM 244 NH2 ARG A 18 10.927 2.313 2.698 1.00 0.00 N ATOM 0 H ARG A 18 5.329 6.409 0.826 1.00 0.00 H new ATOM 0 HA ARG A 18 4.562 5.630 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.067 7.142 2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.869 6.482 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.121 4.375 2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.535 5.097 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.370 5.018 4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.293 3.636 4.165 1.00 0.00 H new ATOM 0 HE ARG A 18 8.776 3.263 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.619 3.846 5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.141 2.954 5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.744 2.111 1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.780 1.969 3.140 1.00 0.00 H new ATOM 258 N GLN A 19 5.079 8.903 3.346 1.00 0.00 N ATOM 259 CA GLN A 19 4.746 10.125 4.058 1.00 0.00 C ATOM 260 C GLN A 19 3.239 10.197 4.313 1.00 0.00 C ATOM 261 O GLN A 19 2.808 10.565 5.405 1.00 0.00 O ATOM 262 CB GLN A 19 5.232 11.356 3.290 1.00 0.00 C ATOM 263 CG GLN A 19 6.705 11.641 3.586 1.00 0.00 C ATOM 264 CD GLN A 19 6.871 12.983 4.302 1.00 0.00 C ATOM 265 OE1 GLN A 19 6.433 14.023 3.836 1.00 0.00 O ATOM 266 NE2 GLN A 19 7.528 12.904 5.456 1.00 0.00 N ATOM 0 H GLN A 19 5.685 9.033 2.536 1.00 0.00 H new ATOM 0 HA GLN A 19 5.257 10.113 5.021 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.096 11.198 2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.628 12.221 3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.117 10.842 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.272 11.649 2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.868 12.002 5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.692 13.746 6.008 1.00 0.00 H new ATOM 275 N LYS A 20 2.480 9.839 3.288 1.00 0.00 N ATOM 276 CA LYS A 20 1.031 9.858 3.388 1.00 0.00 C ATOM 277 C LYS A 20 0.568 8.692 4.264 1.00 0.00 C ATOM 278 O LYS A 20 -0.370 8.833 5.047 1.00 0.00 O ATOM 279 CB LYS A 20 0.398 9.869 1.995 1.00 0.00 C ATOM 280 CG LYS A 20 0.562 11.236 1.329 1.00 0.00 C ATOM 281 CD LYS A 20 0.270 11.154 -0.171 1.00 0.00 C ATOM 282 CE LYS A 20 0.198 12.550 -0.793 1.00 0.00 C ATOM 283 NZ LYS A 20 -1.207 13.003 -0.889 1.00 0.00 N ATOM 0 H LYS A 20 2.841 9.534 2.384 1.00 0.00 H new ATOM 0 HA LYS A 20 0.695 10.774 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.861 9.101 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.661 9.622 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.112 11.955 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.577 11.602 1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.048 10.572 -0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.672 10.631 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.773 13.253 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.650 12.536 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.238 13.952 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.745 12.341 -1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.627 13.035 0.062 1.00 0.00 H new ATOM 297 N PHE A 21 1.248 7.566 4.103 1.00 0.00 N ATOM 298 CA PHE A 21 0.919 6.377 4.869 1.00 0.00 C ATOM 299 C PHE A 21 2.154 5.827 5.587 1.00 0.00 C ATOM 300 O PHE A 21 2.678 4.779 5.213 1.00 0.00 O ATOM 301 CB PHE A 21 0.414 5.329 3.875 1.00 0.00 C ATOM 302 CG PHE A 21 -0.757 5.804 3.013 1.00 0.00 C ATOM 303 CD1 PHE A 21 -0.520 6.441 1.834 1.00 0.00 C ATOM 304 CD2 PHE A 21 -2.036 5.590 3.424 1.00 0.00 C ATOM 305 CE1 PHE A 21 -1.607 6.882 1.034 1.00 0.00 C ATOM 306 CE2 PHE A 21 -3.123 6.031 2.624 1.00 0.00 C ATOM 307 CZ PHE A 21 -2.885 6.667 1.445 1.00 0.00 C ATOM 0 H PHE A 21 2.026 7.453 3.453 1.00 0.00 H new ATOM 0 HA PHE A 21 0.170 6.617 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.237 5.035 3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.110 4.438 4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.495 6.611 1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.225 5.084 4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.419 7.388 0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.138 5.862 2.951 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.712 7.001 0.835 1.00 0.00 H new ATOM 317 N PRO A 22 2.595 6.580 6.630 1.00 0.00 N ATOM 318 CA PRO A 22 3.758 6.179 7.403 1.00 0.00 C ATOM 319 C PRO A 22 3.421 5.017 8.339 1.00 0.00 C ATOM 320 O PRO A 22 4.241 4.123 8.544 1.00 0.00 O ATOM 321 CB PRO A 22 4.188 7.434 8.146 1.00 0.00 C ATOM 322 CG PRO A 22 2.985 8.363 8.126 1.00 0.00 C ATOM 323 CD PRO A 22 1.999 7.827 7.101 1.00 0.00 C ATOM 0 HA PRO A 22 4.569 5.804 6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.484 7.200 9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.048 7.898 7.663 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.523 8.410 9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.290 9.377 7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.019 7.654 7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.857 8.532 6.282 1.00 0.00 H new ATOM 331 N GLU A 23 2.213 5.066 8.881 1.00 0.00 N ATOM 332 CA GLU A 23 1.758 4.028 9.790 1.00 0.00 C ATOM 333 C GLU A 23 1.612 2.699 9.047 1.00 0.00 C ATOM 334 O GLU A 23 2.009 1.652 9.556 1.00 0.00 O ATOM 335 CB GLU A 23 0.443 4.427 10.463 1.00 0.00 C ATOM 336 CG GLU A 23 -0.670 4.606 9.429 1.00 0.00 C ATOM 337 CD GLU A 23 -1.865 5.347 10.033 1.00 0.00 C ATOM 338 OE1 GLU A 23 -1.613 6.310 10.788 1.00 0.00 O ATOM 339 OE2 GLU A 23 -3.004 4.932 9.726 1.00 0.00 O ATOM 0 H GLU A 23 1.535 5.808 8.708 1.00 0.00 H new ATOM 0 HA GLU A 23 2.506 3.904 10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.154 3.664 11.185 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.581 5.355 11.018 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.289 5.161 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.990 3.631 9.061 1.00 0.00 H new ATOM 346 N VAL A 24 1.042 2.784 7.854 1.00 0.00 N ATOM 347 CA VAL A 24 0.838 1.600 7.036 1.00 0.00 C ATOM 348 C VAL A 24 2.172 0.871 6.861 1.00 0.00 C ATOM 349 O VAL A 24 3.218 1.505 6.736 1.00 0.00 O ATOM 350 CB VAL A 24 0.190 1.989 5.705 1.00 0.00 C ATOM 351 CG1 VAL A 24 0.125 0.790 4.756 1.00 0.00 C ATOM 352 CG2 VAL A 24 -1.199 2.589 5.927 1.00 0.00 C ATOM 0 H VAL A 24 0.715 3.654 7.434 1.00 0.00 H new ATOM 0 HA VAL A 24 0.152 0.910 7.527 1.00 0.00 H new ATOM 0 HB VAL A 24 0.813 2.752 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.340 1.093 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.134 0.426 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.465 -0.004 5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.638 2.857 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.836 1.858 6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.115 3.480 6.549 1.00 0.00 H new ATOM 362 N PRO A 25 2.089 -0.486 6.857 1.00 0.00 N ATOM 363 CA PRO A 25 3.276 -1.308 6.699 1.00 0.00 C ATOM 364 C PRO A 25 3.761 -1.300 5.248 1.00 0.00 C ATOM 365 O PRO A 25 3.107 -1.858 4.368 1.00 0.00 O ATOM 366 CB PRO A 25 2.865 -2.691 7.179 1.00 0.00 C ATOM 367 CG PRO A 25 1.345 -2.707 7.150 1.00 0.00 C ATOM 368 CD PRO A 25 0.866 -1.271 7.002 1.00 0.00 C ATOM 0 HA PRO A 25 4.123 -0.936 7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.276 -3.467 6.533 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.239 -2.882 8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.985 -3.317 6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.950 -3.149 8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.217 -1.157 6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.292 -0.953 7.872 1.00 0.00 H new ATOM 376 N GLU A 26 4.902 -0.660 5.042 1.00 0.00 N ATOM 377 CA GLU A 26 5.482 -0.571 3.713 1.00 0.00 C ATOM 378 C GLU A 26 5.337 -1.906 2.981 1.00 0.00 C ATOM 379 O GLU A 26 4.810 -1.955 1.871 1.00 0.00 O ATOM 380 CB GLU A 26 6.948 -0.139 3.782 1.00 0.00 C ATOM 381 CG GLU A 26 7.465 0.267 2.400 1.00 0.00 C ATOM 382 CD GLU A 26 8.883 -0.260 2.168 1.00 0.00 C ATOM 383 OE1 GLU A 26 9.766 0.114 2.970 1.00 0.00 O ATOM 384 OE2 GLU A 26 9.051 -1.026 1.195 1.00 0.00 O ATOM 0 H GLU A 26 5.441 -0.198 5.774 1.00 0.00 H new ATOM 0 HA GLU A 26 4.940 0.190 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.052 0.697 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.553 -0.956 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.798 -0.121 1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.458 1.353 2.310 1.00 0.00 H new ATOM 391 N VAL A 27 5.815 -2.956 3.631 1.00 0.00 N ATOM 392 CA VAL A 27 5.746 -4.289 3.056 1.00 0.00 C ATOM 393 C VAL A 27 4.401 -4.465 2.349 1.00 0.00 C ATOM 394 O VAL A 27 4.345 -4.979 1.233 1.00 0.00 O ATOM 395 CB VAL A 27 5.994 -5.340 4.139 1.00 0.00 C ATOM 396 CG1 VAL A 27 5.437 -4.880 5.488 1.00 0.00 C ATOM 397 CG2 VAL A 27 5.404 -6.693 3.736 1.00 0.00 C ATOM 0 H VAL A 27 6.252 -2.911 4.551 1.00 0.00 H new ATOM 0 HA VAL A 27 6.527 -4.423 2.308 1.00 0.00 H new ATOM 0 HB VAL A 27 7.072 -5.462 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.627 -5.646 6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.924 -3.951 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.363 -4.715 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.594 -7.422 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.329 -6.591 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.868 -7.031 2.809 1.00 0.00 H new ATOM 407 N VAL A 28 3.350 -4.028 3.027 1.00 0.00 N ATOM 408 CA VAL A 28 2.009 -4.130 2.477 1.00 0.00 C ATOM 409 C VAL A 28 1.870 -3.165 1.299 1.00 0.00 C ATOM 410 O VAL A 28 1.355 -3.535 0.245 1.00 0.00 O ATOM 411 CB VAL A 28 0.973 -3.885 3.576 1.00 0.00 C ATOM 412 CG1 VAL A 28 -0.429 -3.729 2.983 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.005 -5.004 4.620 1.00 0.00 C ATOM 0 H VAL A 28 3.400 -3.602 3.953 1.00 0.00 H new ATOM 0 HA VAL A 28 1.828 -5.135 2.096 1.00 0.00 H new ATOM 0 HB VAL A 28 1.231 -2.952 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.146 -3.556 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.441 -2.883 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.699 -4.637 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.259 -4.805 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.785 -5.957 4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.994 -5.048 5.076 1.00 0.00 H new ATOM 423 N VAL A 29 2.339 -1.945 1.516 1.00 0.00 N ATOM 424 CA VAL A 29 2.274 -0.923 0.485 1.00 0.00 C ATOM 425 C VAL A 29 2.884 -1.469 -0.807 1.00 0.00 C ATOM 426 O VAL A 29 2.240 -1.457 -1.855 1.00 0.00 O ATOM 427 CB VAL A 29 2.954 0.357 0.973 1.00 0.00 C ATOM 428 CG1 VAL A 29 2.915 1.444 -0.103 1.00 0.00 C ATOM 429 CG2 VAL A 29 2.322 0.852 2.276 1.00 0.00 C ATOM 0 H VAL A 29 2.766 -1.641 2.391 1.00 0.00 H new ATOM 0 HA VAL A 29 1.238 -0.662 0.270 1.00 0.00 H new ATOM 0 HB VAL A 29 3.999 0.124 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.405 2.343 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.433 1.092 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.879 1.673 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.824 1.763 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.265 1.059 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.426 0.086 3.045 1.00 0.00 H new ATOM 439 N SER A 30 4.118 -1.935 -0.690 1.00 0.00 N ATOM 440 CA SER A 30 4.823 -2.485 -1.836 1.00 0.00 C ATOM 441 C SER A 30 3.886 -3.386 -2.643 1.00 0.00 C ATOM 442 O SER A 30 3.632 -3.129 -3.819 1.00 0.00 O ATOM 443 CB SER A 30 6.063 -3.265 -1.398 1.00 0.00 C ATOM 444 OG SER A 30 6.509 -4.169 -2.406 1.00 0.00 O ATOM 0 H SER A 30 4.649 -1.943 0.181 1.00 0.00 H new ATOM 0 HA SER A 30 5.152 -1.657 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.864 -2.566 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.839 -3.820 -0.487 1.00 0.00 H new ATOM 0 HG SER A 30 7.304 -4.647 -2.089 1.00 0.00 H new ATOM 450 N ARG A 31 3.398 -4.423 -1.979 1.00 0.00 N ATOM 451 CA ARG A 31 2.495 -5.364 -2.620 1.00 0.00 C ATOM 452 C ARG A 31 1.471 -4.618 -3.477 1.00 0.00 C ATOM 453 O ARG A 31 1.170 -5.034 -4.595 1.00 0.00 O ATOM 454 CB ARG A 31 1.759 -6.215 -1.583 1.00 0.00 C ATOM 455 CG ARG A 31 1.670 -7.674 -2.033 1.00 0.00 C ATOM 456 CD ARG A 31 0.565 -8.415 -1.277 1.00 0.00 C ATOM 457 NE ARG A 31 -0.757 -8.070 -1.847 1.00 0.00 N ATOM 458 CZ ARG A 31 -1.927 -8.402 -1.285 1.00 0.00 C ATOM 459 NH1 ARG A 31 -1.947 -9.091 -0.135 1.00 0.00 N ATOM 460 NH2 ARG A 31 -3.078 -8.047 -1.873 1.00 0.00 N ATOM 0 H ARG A 31 3.611 -4.633 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 31 3.094 -6.020 -3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.278 -6.157 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.756 -5.817 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.474 -7.716 -3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.626 -8.169 -1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.728 -9.491 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.595 -8.150 -0.220 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.778 -7.547 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.071 -9.362 0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.838 -9.344 0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.063 -7.524 -2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.969 -8.300 -1.445 1.00 0.00 H new ATOM 474 N CYS A 32 0.963 -3.527 -2.920 1.00 0.00 N ATOM 475 CA CYS A 32 -0.021 -2.719 -3.620 1.00 0.00 C ATOM 476 C CYS A 32 0.635 -2.147 -4.878 1.00 0.00 C ATOM 477 O CYS A 32 0.096 -2.276 -5.977 1.00 0.00 O ATOM 478 CB CYS A 32 -0.590 -1.618 -2.722 1.00 0.00 C ATOM 479 SG CYS A 32 -2.225 -1.085 -3.346 1.00 0.00 S ATOM 0 H CYS A 32 1.215 -3.185 -1.993 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.870 -3.340 -3.905 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.683 -1.983 -1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.093 -0.769 -2.696 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.150 -0.861 -4.624 1.00 0.00 H new ATOM 485 N MET A 33 1.788 -1.526 -4.677 1.00 0.00 N ATOM 486 CA MET A 33 2.522 -0.934 -5.782 1.00 0.00 C ATOM 487 C MET A 33 2.810 -1.973 -6.868 1.00 0.00 C ATOM 488 O MET A 33 2.425 -1.792 -8.022 1.00 0.00 O ATOM 489 CB MET A 33 3.841 -0.355 -5.266 1.00 0.00 C ATOM 490 CG MET A 33 3.607 0.954 -4.510 1.00 0.00 C ATOM 491 SD MET A 33 4.064 2.342 -5.535 1.00 0.00 S ATOM 492 CE MET A 33 5.841 2.179 -5.504 1.00 0.00 C ATOM 0 H MET A 33 2.232 -1.420 -3.765 1.00 0.00 H new ATOM 0 HA MET A 33 1.912 -0.142 -6.216 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.327 -1.077 -4.609 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.517 -0.180 -6.103 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.559 1.034 -4.221 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.192 0.962 -3.591 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.291 3.143 -5.265 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.126 1.448 -4.748 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.193 1.847 -6.481 1.00 0.00 H new ATOM 502 N LEU A 34 3.485 -3.037 -6.460 1.00 0.00 N ATOM 503 CA LEU A 34 3.829 -4.105 -7.384 1.00 0.00 C ATOM 504 C LEU A 34 2.571 -4.552 -8.131 1.00 0.00 C ATOM 505 O LEU A 34 2.655 -5.051 -9.252 1.00 0.00 O ATOM 506 CB LEU A 34 4.543 -5.240 -6.648 1.00 0.00 C ATOM 507 CG LEU A 34 6.057 -5.086 -6.484 1.00 0.00 C ATOM 508 CD1 LEU A 34 6.664 -6.318 -5.812 1.00 0.00 C ATOM 509 CD2 LEU A 34 6.724 -4.777 -7.826 1.00 0.00 C ATOM 0 H LEU A 34 3.803 -3.183 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 34 4.535 -3.748 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.099 -5.340 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.348 -6.171 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 34 6.245 -4.237 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.740 -6.182 -5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.218 -6.452 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.467 -7.199 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.799 -4.672 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.529 -5.590 -8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.320 -3.848 -8.228 1.00 0.00 H new ATOM 521 N GLN A 35 1.433 -4.357 -7.480 1.00 0.00 N ATOM 522 CA GLN A 35 0.160 -4.733 -8.068 1.00 0.00 C ATOM 523 C GLN A 35 -0.292 -3.677 -9.079 1.00 0.00 C ATOM 524 O GLN A 35 -0.759 -4.012 -10.166 1.00 0.00 O ATOM 525 CB GLN A 35 -0.902 -4.947 -6.988 1.00 0.00 C ATOM 526 CG GLN A 35 -1.207 -6.435 -6.805 1.00 0.00 C ATOM 527 CD GLN A 35 -2.701 -6.664 -6.569 1.00 0.00 C ATOM 528 OE1 GLN A 35 -3.554 -6.119 -7.249 1.00 0.00 O ATOM 529 NE2 GLN A 35 -2.969 -7.499 -5.568 1.00 0.00 N ATOM 0 H GLN A 35 1.367 -3.943 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 35 0.292 -5.678 -8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.556 -4.524 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.814 -4.416 -7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.886 -6.987 -7.688 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.638 -6.825 -5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.207 -7.921 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.937 -7.717 -5.331 1.00 0.00 H new ATOM 538 N ASN A 36 -0.135 -2.422 -8.684 1.00 0.00 N ATOM 539 CA ASN A 36 -0.520 -1.314 -9.542 1.00 0.00 C ATOM 540 C ASN A 36 0.692 -0.860 -10.357 1.00 0.00 C ATOM 541 O ASN A 36 0.711 0.253 -10.881 1.00 0.00 O ATOM 542 CB ASN A 36 -1.007 -0.122 -8.716 1.00 0.00 C ATOM 543 CG ASN A 36 -2.310 -0.456 -7.986 1.00 0.00 C ATOM 544 OD1 ASN A 36 -2.174 -0.585 -6.669 1.00 0.00 O flip ATOM 545 ND2 ASN A 36 -3.368 -0.587 -8.579 1.00 0.00 N flip ATOM 0 H ASN A 36 0.253 -2.148 -7.782 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.325 -1.656 -10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.242 0.160 -7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.161 0.738 -9.368 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.402 -0.474 -9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.219 -0.809 -8.062 1.00 0.00 H new ATOM 552 N ASN A 37 1.674 -1.746 -10.440 1.00 0.00 N ATOM 553 CA ASN A 37 2.888 -1.450 -11.183 1.00 0.00 C ATOM 554 C ASN A 37 3.463 -0.117 -10.702 1.00 0.00 C ATOM 555 O ASN A 37 3.520 0.849 -11.461 1.00 0.00 O ATOM 556 CB ASN A 37 2.600 -1.328 -12.681 1.00 0.00 C ATOM 557 CG ASN A 37 2.741 -2.683 -13.378 1.00 0.00 C ATOM 558 OD1 ASN A 37 2.920 -3.716 -12.754 1.00 0.00 O ATOM 559 ND2 ASN A 37 2.652 -2.621 -14.703 1.00 0.00 N ATOM 0 H ASN A 37 1.654 -2.669 -10.005 1.00 0.00 H new ATOM 0 HA ASN A 37 3.593 -2.264 -11.016 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.592 -0.941 -12.831 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.287 -0.611 -13.130 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.734 -3.472 -15.260 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.501 -1.723 -15.163 1.00 0.00 H new ATOM 566 N ASN A 38 3.875 -0.106 -9.443 1.00 0.00 N ATOM 567 CA ASN A 38 4.445 1.093 -8.851 1.00 0.00 C ATOM 568 C ASN A 38 3.602 2.304 -9.254 1.00 0.00 C ATOM 569 O ASN A 38 3.875 2.946 -10.268 1.00 0.00 O ATOM 570 CB ASN A 38 5.874 1.326 -9.346 1.00 0.00 C ATOM 571 CG ASN A 38 6.564 0.000 -9.673 1.00 0.00 C ATOM 572 OD1 ASN A 38 6.475 -0.909 -8.706 1.00 0.00 O flip ATOM 573 ND2 ASN A 38 7.138 -0.186 -10.733 1.00 0.00 N flip ATOM 0 H ASN A 38 3.826 -0.909 -8.816 1.00 0.00 H new ATOM 0 HA ASN A 38 4.455 0.963 -7.769 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.857 1.959 -10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.444 1.859 -8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.169 0.555 -11.433 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.587 -1.083 -10.919 1.00 0.00 H new ATOM 580 N ASN A 39 2.594 2.581 -8.440 1.00 0.00 N ATOM 581 CA ASN A 39 1.709 3.704 -8.699 1.00 0.00 C ATOM 582 C ASN A 39 1.632 4.585 -7.451 1.00 0.00 C ATOM 583 O ASN A 39 1.805 4.102 -6.333 1.00 0.00 O ATOM 584 CB ASN A 39 0.294 3.226 -9.029 1.00 0.00 C ATOM 585 CG ASN A 39 -0.115 3.653 -10.440 1.00 0.00 C ATOM 586 OD1 ASN A 39 -0.442 4.938 -10.543 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -0.132 2.867 -11.373 1.00 0.00 N flip ATOM 0 H ASN A 39 2.370 2.047 -7.600 1.00 0.00 H new ATOM 0 HA ASN A 39 2.108 4.259 -9.548 1.00 0.00 H new ATOM 0 HB2 ASN A 39 0.244 2.140 -8.945 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.410 3.634 -8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.131 1.893 -11.224 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.410 3.184 -12.302 1.00 0.00 H new ATOM 594 N LEU A 40 1.372 5.864 -7.683 1.00 0.00 N ATOM 595 CA LEU A 40 1.269 6.817 -6.591 1.00 0.00 C ATOM 596 C LEU A 40 -0.184 6.892 -6.120 1.00 0.00 C ATOM 597 O LEU A 40 -0.523 6.378 -5.055 1.00 0.00 O ATOM 598 CB LEU A 40 1.853 8.170 -7.004 1.00 0.00 C ATOM 599 CG LEU A 40 2.559 8.961 -5.902 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.732 9.764 -6.468 1.00 0.00 C ATOM 601 CD2 LEU A 40 1.570 9.848 -5.143 1.00 0.00 C ATOM 0 H LEU A 40 1.230 6.262 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 40 1.863 6.486 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.561 8.005 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.047 8.784 -7.405 1.00 0.00 H new ATOM 0 HG LEU A 40 2.971 8.252 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.216 10.317 -5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.451 9.084 -6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.365 10.463 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.098 10.399 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.107 10.551 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.799 9.226 -4.687 1.00 0.00 H new ATOM 613 N ASP A 41 -1.005 7.537 -6.936 1.00 0.00 N ATOM 614 CA ASP A 41 -2.414 7.686 -6.616 1.00 0.00 C ATOM 615 C ASP A 41 -3.058 6.302 -6.509 1.00 0.00 C ATOM 616 O ASP A 41 -3.657 5.969 -5.488 1.00 0.00 O ATOM 617 CB ASP A 41 -3.148 8.465 -7.709 1.00 0.00 C ATOM 618 CG ASP A 41 -3.772 9.786 -7.254 1.00 0.00 C ATOM 619 OD1 ASP A 41 -3.849 9.982 -6.022 1.00 0.00 O ATOM 620 OD2 ASP A 41 -4.157 10.569 -8.148 1.00 0.00 O ATOM 0 H ASP A 41 -0.721 7.962 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.490 8.228 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.449 8.671 -8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.934 7.832 -8.120 1.00 0.00 H new ATOM 625 N ALA A 42 -2.912 5.533 -7.578 1.00 0.00 N ATOM 626 CA ALA A 42 -3.472 4.192 -7.618 1.00 0.00 C ATOM 627 C ALA A 42 -3.250 3.512 -6.266 1.00 0.00 C ATOM 628 O ALA A 42 -4.181 2.951 -5.689 1.00 0.00 O ATOM 629 CB ALA A 42 -2.844 3.411 -8.774 1.00 0.00 C ATOM 0 H ALA A 42 -2.414 5.813 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.547 4.229 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.264 2.405 -8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.055 3.921 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.766 3.350 -8.628 1.00 0.00 H new ATOM 635 N CYS A 43 -2.012 3.583 -5.799 1.00 0.00 N ATOM 636 CA CYS A 43 -1.656 2.981 -4.526 1.00 0.00 C ATOM 637 C CYS A 43 -2.445 3.688 -3.422 1.00 0.00 C ATOM 638 O CYS A 43 -3.165 3.046 -2.659 1.00 0.00 O ATOM 639 CB CYS A 43 -0.148 3.038 -4.275 1.00 0.00 C ATOM 640 SG CYS A 43 0.323 1.805 -3.007 1.00 0.00 S ATOM 0 H CYS A 43 -1.243 4.049 -6.280 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.917 1.923 -4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.391 2.842 -5.202 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.137 4.037 -3.946 1.00 0.00 H new ATOM 0 HG CYS A 43 1.544 2.027 -2.619 1.00 0.00 H new ATOM 646 N CYS A 44 -2.283 5.003 -3.373 1.00 0.00 N ATOM 647 CA CYS A 44 -2.972 5.804 -2.376 1.00 0.00 C ATOM 648 C CYS A 44 -4.413 5.303 -2.268 1.00 0.00 C ATOM 649 O CYS A 44 -4.860 4.914 -1.191 1.00 0.00 O ATOM 650 CB CYS A 44 -2.910 7.297 -2.709 1.00 0.00 C ATOM 651 SG CYS A 44 -3.863 8.253 -1.474 1.00 0.00 S ATOM 0 H CYS A 44 -1.685 5.533 -4.007 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.477 5.693 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.873 7.633 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.312 7.473 -3.707 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.256 8.205 -0.326 1.00 0.00 H new ATOM 657 N ALA A 45 -5.101 5.330 -3.400 1.00 0.00 N ATOM 658 CA ALA A 45 -6.483 4.884 -3.447 1.00 0.00 C ATOM 659 C ALA A 45 -6.635 3.620 -2.598 1.00 0.00 C ATOM 660 O ALA A 45 -7.337 3.627 -1.588 1.00 0.00 O ATOM 661 CB ALA A 45 -6.900 4.662 -4.902 1.00 0.00 C ATOM 0 H ALA A 45 -4.727 5.654 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.145 5.643 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.937 4.327 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.802 5.596 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.259 3.904 -5.353 1.00 0.00 H new ATOM 667 N VAL A 46 -5.966 2.565 -3.040 1.00 0.00 N ATOM 668 CA VAL A 46 -6.018 1.296 -2.334 1.00 0.00 C ATOM 669 C VAL A 46 -5.591 1.509 -0.880 1.00 0.00 C ATOM 670 O VAL A 46 -6.335 1.181 0.043 1.00 0.00 O ATOM 671 CB VAL A 46 -5.163 0.257 -3.061 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.099 -1.051 -2.270 1.00 0.00 C ATOM 673 CG2 VAL A 46 -5.684 0.014 -4.480 1.00 0.00 C ATOM 0 H VAL A 46 -5.385 2.563 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.036 0.908 -2.321 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.150 0.652 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.485 -1.773 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.661 -0.862 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.105 -1.451 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.058 -0.729 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.711 -0.349 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.654 0.947 -5.043 1.00 0.00 H new ATOM 683 N LEU A 47 -4.396 2.057 -0.722 1.00 0.00 N ATOM 684 CA LEU A 47 -3.861 2.318 0.604 1.00 0.00 C ATOM 685 C LEU A 47 -4.979 2.847 1.505 1.00 0.00 C ATOM 686 O LEU A 47 -5.291 2.245 2.531 1.00 0.00 O ATOM 687 CB LEU A 47 -2.648 3.247 0.519 1.00 0.00 C ATOM 688 CG LEU A 47 -1.386 2.647 -0.103 1.00 0.00 C ATOM 689 CD1 LEU A 47 -0.361 3.736 -0.422 1.00 0.00 C ATOM 690 CD2 LEU A 47 -0.800 1.553 0.793 1.00 0.00 C ATOM 0 H LEU A 47 -3.782 2.328 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.496 1.396 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.930 4.128 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.406 3.589 1.525 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.661 2.177 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.527 3.282 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.793 4.447 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.085 4.256 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.096 1.143 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.543 1.977 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.535 0.759 0.926 1.00 0.00 H new ATOM 702 N SER A 48 -5.552 3.966 1.088 1.00 0.00 N ATOM 703 CA SER A 48 -6.628 4.583 1.845 1.00 0.00 C ATOM 704 C SER A 48 -7.560 3.505 2.402 1.00 0.00 C ATOM 705 O SER A 48 -7.970 3.571 3.560 1.00 0.00 O ATOM 706 CB SER A 48 -7.415 5.570 0.980 1.00 0.00 C ATOM 707 OG SER A 48 -8.724 5.801 1.491 1.00 0.00 O ATOM 0 H SER A 48 -5.292 4.462 0.235 1.00 0.00 H new ATOM 0 HA SER A 48 -6.189 5.139 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.875 6.515 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.486 5.184 -0.037 1.00 0.00 H new ATOM 0 HG SER A 48 -8.677 6.439 2.234 1.00 0.00 H new ATOM 713 N GLN A 49 -7.869 2.537 1.551 1.00 0.00 N ATOM 714 CA GLN A 49 -8.745 1.447 1.943 1.00 0.00 C ATOM 715 C GLN A 49 -7.956 0.380 2.706 1.00 0.00 C ATOM 716 O GLN A 49 -8.227 0.123 3.878 1.00 0.00 O ATOM 717 CB GLN A 49 -9.448 0.843 0.726 1.00 0.00 C ATOM 718 CG GLN A 49 -10.463 1.824 0.136 1.00 0.00 C ATOM 719 CD GLN A 49 -11.617 2.071 1.110 1.00 0.00 C ATOM 720 OE1 GLN A 49 -11.605 2.995 1.906 1.00 0.00 O ATOM 721 NE2 GLN A 49 -12.612 1.195 1.002 1.00 0.00 N ATOM 0 H GLN A 49 -7.528 2.486 0.591 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.514 1.845 2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.710 0.579 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.953 -0.079 1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.970 2.768 -0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.853 1.429 -0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.558 0.444 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.429 1.274 1.608 1.00 0.00 H new ATOM 730 N GLU A 50 -6.997 -0.211 2.010 1.00 0.00 N ATOM 731 CA GLU A 50 -6.167 -1.244 2.607 1.00 0.00 C ATOM 732 C GLU A 50 -5.838 -0.887 4.058 1.00 0.00 C ATOM 733 O GLU A 50 -5.970 -1.722 4.952 1.00 0.00 O ATOM 734 CB GLU A 50 -4.891 -1.461 1.792 1.00 0.00 C ATOM 735 CG GLU A 50 -5.094 -2.545 0.732 1.00 0.00 C ATOM 736 CD GLU A 50 -5.028 -3.941 1.356 1.00 0.00 C ATOM 737 OE1 GLU A 50 -5.682 -4.125 2.406 1.00 0.00 O ATOM 738 OE2 GLU A 50 -4.326 -4.792 0.770 1.00 0.00 O ATOM 0 H GLU A 50 -6.776 0.005 1.038 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.725 -2.180 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.600 -0.527 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.075 -1.746 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.059 -2.406 0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.330 -2.451 -0.040 1.00 0.00 H new ATOM 745 N SER A 51 -5.415 0.354 4.247 1.00 0.00 N ATOM 746 CA SER A 51 -5.065 0.831 5.574 1.00 0.00 C ATOM 747 C SER A 51 -6.156 0.442 6.574 1.00 0.00 C ATOM 748 O SER A 51 -5.902 -0.311 7.513 1.00 0.00 O ATOM 749 CB SER A 51 -4.859 2.347 5.578 1.00 0.00 C ATOM 750 OG SER A 51 -3.722 2.733 4.810 1.00 0.00 O ATOM 0 H SER A 51 -5.307 1.044 3.503 1.00 0.00 H new ATOM 0 HA SER A 51 -4.126 0.363 5.869 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.748 2.835 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.738 2.694 6.604 1.00 0.00 H new ATOM 0 HG SER A 51 -3.931 2.658 3.856 1.00 0.00 H new ATOM 756 N THR A 52 -7.347 0.973 6.339 1.00 0.00 N ATOM 757 CA THR A 52 -8.477 0.691 7.208 1.00 0.00 C ATOM 758 C THR A 52 -8.498 -0.790 7.590 1.00 0.00 C ATOM 759 O THR A 52 -8.496 -1.130 8.772 1.00 0.00 O ATOM 760 CB THR A 52 -9.749 1.153 6.494 1.00 0.00 C ATOM 761 OG1 THR A 52 -9.654 2.574 6.500 1.00 0.00 O ATOM 762 CG2 THR A 52 -11.014 0.860 7.303 1.00 0.00 C ATOM 0 H THR A 52 -7.554 1.597 5.559 1.00 0.00 H new ATOM 0 HA THR A 52 -8.399 1.236 8.149 1.00 0.00 H new ATOM 0 HB THR A 52 -9.818 0.663 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.439 2.956 6.054 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.887 1.208 6.751 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.096 -0.213 7.474 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.961 1.377 8.261 1.00 0.00 H new ATOM 770 N ARG A 53 -8.519 -1.633 6.568 1.00 0.00 N ATOM 771 CA ARG A 53 -8.541 -3.070 6.782 1.00 0.00 C ATOM 772 C ARG A 53 -7.641 -3.444 7.961 1.00 0.00 C ATOM 773 O ARG A 53 -8.011 -4.273 8.790 1.00 0.00 O ATOM 774 CB ARG A 53 -8.074 -3.820 5.533 1.00 0.00 C ATOM 775 CG ARG A 53 -9.227 -4.599 4.898 1.00 0.00 C ATOM 776 CD ARG A 53 -9.612 -4.001 3.543 1.00 0.00 C ATOM 777 NE ARG A 53 -10.990 -4.405 3.184 1.00 0.00 N ATOM 778 CZ ARG A 53 -11.338 -5.647 2.821 1.00 0.00 C ATOM 779 NH1 ARG A 53 -10.412 -6.613 2.765 1.00 0.00 N ATOM 780 NH2 ARG A 53 -12.613 -5.922 2.513 1.00 0.00 N ATOM 0 H ARG A 53 -8.521 -1.348 5.589 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.569 -3.358 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.667 -3.112 4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.269 -4.506 5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.939 -5.642 4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.090 -4.586 5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.542 -2.914 3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.914 -4.338 2.776 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.720 -3.694 3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.442 -6.403 2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.677 -7.558 2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.318 -5.186 2.555 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.878 -6.867 2.237 1.00 0.00 H new ATOM 794 N TYR A 54 -6.475 -2.816 7.997 1.00 0.00 N ATOM 795 CA TYR A 54 -5.519 -3.073 9.060 1.00 0.00 C ATOM 796 C TYR A 54 -5.764 -2.147 10.254 1.00 0.00 C ATOM 797 O TYR A 54 -5.714 -2.584 11.403 1.00 0.00 O ATOM 798 CB TYR A 54 -4.140 -2.769 8.470 1.00 0.00 C ATOM 799 CG TYR A 54 -3.664 -3.797 7.442 1.00 0.00 C ATOM 800 CD1 TYR A 54 -4.401 -4.021 6.297 1.00 0.00 C ATOM 801 CD2 TYR A 54 -2.497 -4.501 7.660 1.00 0.00 C ATOM 802 CE1 TYR A 54 -3.952 -4.988 5.329 1.00 0.00 C ATOM 803 CE2 TYR A 54 -2.048 -5.469 6.693 1.00 0.00 C ATOM 804 CZ TYR A 54 -2.798 -5.665 5.575 1.00 0.00 C ATOM 805 OH TYR A 54 -2.374 -6.579 4.661 1.00 0.00 O ATOM 0 H TYR A 54 -6.171 -2.130 7.307 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.606 -4.100 9.413 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.166 -1.786 8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.413 -2.717 9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.315 -3.471 6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.920 -4.326 8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.519 -5.172 4.428 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.137 -6.027 6.852 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.536 -6.984 4.968 1.00 0.00 H new ATOM 815 N LEU A 55 -6.025 -0.886 9.941 1.00 0.00 N ATOM 816 CA LEU A 55 -6.278 0.104 10.973 1.00 0.00 C ATOM 817 C LEU A 55 -7.326 1.099 10.472 1.00 0.00 C ATOM 818 O LEU A 55 -8.486 0.738 10.275 1.00 0.00 O ATOM 819 CB LEU A 55 -4.970 0.761 11.418 1.00 0.00 C ATOM 820 CG LEU A 55 -4.011 -0.126 12.216 1.00 0.00 C ATOM 821 CD1 LEU A 55 -2.559 0.300 11.996 1.00 0.00 C ATOM 822 CD2 LEU A 55 -4.386 -0.141 13.700 1.00 0.00 C ATOM 0 H LEU A 55 -6.067 -0.528 8.987 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.688 -0.371 11.864 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.448 1.121 10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.213 1.635 12.022 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.105 -1.148 11.849 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.899 -0.346 12.574 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.312 0.217 10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.430 1.333 12.319 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.689 -0.778 14.245 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.338 0.873 14.098 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.398 -0.528 13.816 1.00 0.00 H new ATOM 834 N TYR A 56 -6.882 2.333 10.281 1.00 0.00 N ATOM 835 CA TYR A 56 -7.767 3.383 9.807 1.00 0.00 C ATOM 836 C TYR A 56 -7.014 4.377 8.922 1.00 0.00 C ATOM 837 O TYR A 56 -6.430 5.339 9.420 1.00 0.00 O ATOM 838 CB TYR A 56 -8.267 4.109 11.058 1.00 0.00 C ATOM 839 CG TYR A 56 -9.050 3.217 12.024 1.00 0.00 C ATOM 840 CD1 TYR A 56 -10.359 2.880 11.745 1.00 0.00 C ATOM 841 CD2 TYR A 56 -8.447 2.749 13.174 1.00 0.00 C ATOM 842 CE1 TYR A 56 -11.096 2.041 12.654 1.00 0.00 C ATOM 843 CE2 TYR A 56 -9.184 1.910 14.083 1.00 0.00 C ATOM 844 CZ TYR A 56 -10.472 1.597 13.778 1.00 0.00 C ATOM 845 OH TYR A 56 -11.168 0.805 14.637 1.00 0.00 O ATOM 0 H TYR A 56 -5.920 2.629 10.446 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.579 2.962 9.215 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.413 4.535 11.584 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.901 4.942 10.753 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.831 3.246 10.845 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.422 3.012 13.392 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -12.121 1.770 12.448 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -8.724 1.538 14.987 1.00 0.00 H new ATOM 0 HH TYR A 56 -10.596 0.563 15.395 1.00 0.00 H new ATOM 855 N GLY A 57 -7.051 4.112 7.624 1.00 0.00 N ATOM 856 CA GLY A 57 -6.380 4.971 6.665 1.00 0.00 C ATOM 857 C GLY A 57 -6.877 6.414 6.779 1.00 0.00 C ATOM 858 O GLY A 57 -6.507 7.130 7.708 1.00 0.00 O ATOM 0 H GLY A 57 -7.536 3.314 7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.304 4.939 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.555 4.601 5.655 1.00 0.00 H new ATOM 862 N GLU A 58 -7.707 6.798 5.820 1.00 0.00 N ATOM 863 CA GLU A 58 -8.258 8.142 5.802 1.00 0.00 C ATOM 864 C GLU A 58 -9.586 8.160 5.042 1.00 0.00 C ATOM 865 O GLU A 58 -9.638 7.799 3.867 1.00 0.00 O ATOM 866 CB GLU A 58 -7.265 9.134 5.193 1.00 0.00 C ATOM 867 CG GLU A 58 -6.840 10.184 6.221 1.00 0.00 C ATOM 868 CD GLU A 58 -6.719 11.566 5.575 1.00 0.00 C ATOM 869 OE1 GLU A 58 -7.541 11.847 4.677 1.00 0.00 O ATOM 870 OE2 GLU A 58 -5.806 12.310 5.994 1.00 0.00 O ATOM 0 H GLU A 58 -8.011 6.202 5.050 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.445 8.451 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.387 8.599 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.718 9.625 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.568 10.220 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.885 9.900 6.663 1.00 0.00 H new ATOM 877 N GLY A 59 -10.627 8.585 5.743 1.00 0.00 N ATOM 878 CA GLY A 59 -11.951 8.655 5.149 1.00 0.00 C ATOM 879 C GLY A 59 -12.410 10.107 5.001 1.00 0.00 C ATOM 880 O GLY A 59 -13.308 10.554 5.713 1.00 0.00 O ATOM 0 H GLY A 59 -10.580 8.884 6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.941 8.172 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.661 8.107 5.769 1.00 0.00 H new ATOM 884 N ASP A 60 -11.772 10.804 4.072 1.00 0.00 N ATOM 885 CA ASP A 60 -12.103 12.196 3.822 1.00 0.00 C ATOM 886 C ASP A 60 -11.154 12.759 2.761 1.00 0.00 C ATOM 887 O ASP A 60 -9.947 12.527 2.817 1.00 0.00 O ATOM 888 CB ASP A 60 -11.944 13.037 5.091 1.00 0.00 C ATOM 889 CG ASP A 60 -10.617 12.851 5.828 1.00 0.00 C ATOM 890 OD1 ASP A 60 -9.663 13.576 5.471 1.00 0.00 O ATOM 891 OD2 ASP A 60 -10.585 11.988 6.732 1.00 0.00 O ATOM 0 H ASP A 60 -11.027 10.430 3.483 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.139 12.241 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.051 14.089 4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.758 12.795 5.774 1.00 0.00 H new ATOM 896 N LEU A 61 -11.736 13.487 1.820 1.00 0.00 N ATOM 897 CA LEU A 61 -10.958 14.084 0.747 1.00 0.00 C ATOM 898 C LEU A 61 -10.116 13.001 0.070 1.00 0.00 C ATOM 899 O LEU A 61 -8.935 12.845 0.377 1.00 0.00 O ATOM 900 CB LEU A 61 -10.137 15.262 1.274 1.00 0.00 C ATOM 901 CG LEU A 61 -10.837 16.623 1.270 1.00 0.00 C ATOM 902 CD1 LEU A 61 -11.284 17.013 2.681 1.00 0.00 C ATOM 903 CD2 LEU A 61 -9.949 17.694 0.633 1.00 0.00 C ATOM 0 H LEU A 61 -12.737 13.677 1.778 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.616 14.499 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.830 15.037 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.228 15.341 0.678 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.735 16.544 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.779 17.984 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.978 16.264 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.414 17.069 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.470 18.651 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.021 17.780 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.723 17.414 -0.396 1.00 0.00 H new ATOM 915 N ASN A 62 -10.756 12.280 -0.839 1.00 0.00 N ATOM 916 CA ASN A 62 -10.081 11.216 -1.562 1.00 0.00 C ATOM 917 C ASN A 62 -10.977 10.734 -2.705 1.00 0.00 C ATOM 918 O ASN A 62 -11.826 9.866 -2.509 1.00 0.00 O ATOM 919 CB ASN A 62 -9.797 10.023 -0.648 1.00 0.00 C ATOM 920 CG ASN A 62 -8.660 9.164 -1.205 1.00 0.00 C ATOM 921 OD1 ASN A 62 -8.845 8.333 -2.078 1.00 0.00 O ATOM 922 ND2 ASN A 62 -7.475 9.411 -0.652 1.00 0.00 N ATOM 0 H ASN A 62 -11.735 12.412 -1.091 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.139 11.611 -1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.535 10.378 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.697 9.418 -0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.652 8.890 -0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.390 10.121 0.075 1.00 0.00 H new ATOM 929 N PHE A 63 -10.757 11.318 -3.874 1.00 0.00 N ATOM 930 CA PHE A 63 -11.533 10.959 -5.048 1.00 0.00 C ATOM 931 C PHE A 63 -10.786 11.323 -6.332 1.00 0.00 C ATOM 932 O PHE A 63 -10.564 12.500 -6.613 1.00 0.00 O ATOM 933 CB PHE A 63 -12.836 11.760 -4.985 1.00 0.00 C ATOM 934 CG PHE A 63 -14.021 11.075 -5.668 1.00 0.00 C ATOM 935 CD1 PHE A 63 -13.926 10.686 -6.968 1.00 0.00 C ATOM 936 CD2 PHE A 63 -15.170 10.854 -4.975 1.00 0.00 C ATOM 937 CE1 PHE A 63 -15.026 10.050 -7.601 1.00 0.00 C ATOM 938 CE2 PHE A 63 -16.271 10.218 -5.608 1.00 0.00 C ATOM 939 CZ PHE A 63 -16.175 9.830 -6.908 1.00 0.00 C ATOM 0 H PHE A 63 -10.052 12.038 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 63 -11.716 9.884 -5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -13.088 11.943 -3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -12.675 12.733 -5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -13.014 10.861 -7.519 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -15.245 11.162 -3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -14.950 9.741 -8.633 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -17.184 10.043 -5.058 1.00 0.00 H new ATOM 0 HZ PHE A 63 -17.012 9.347 -7.390 1.00 0.00 H new ATOM 949 N SER A 64 -10.419 10.291 -7.078 1.00 0.00 N ATOM 950 CA SER A 64 -9.701 10.488 -8.326 1.00 0.00 C ATOM 951 C SER A 64 -9.774 9.218 -9.177 1.00 0.00 C ATOM 952 O SER A 64 -9.339 8.152 -8.746 1.00 0.00 O ATOM 953 CB SER A 64 -8.242 10.870 -8.068 1.00 0.00 C ATOM 954 OG SER A 64 -7.680 11.598 -9.156 1.00 0.00 O ATOM 0 H SER A 64 -10.605 9.316 -6.842 1.00 0.00 H new ATOM 0 HA SER A 64 -10.173 11.309 -8.866 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.180 11.470 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.656 9.967 -7.895 1.00 0.00 H new ATOM 0 HG SER A 64 -6.749 11.825 -8.952 1.00 0.00 H new ATOM 960 N ASP A 65 -10.328 9.376 -10.370 1.00 0.00 N ATOM 961 CA ASP A 65 -10.464 8.256 -11.286 1.00 0.00 C ATOM 962 C ASP A 65 -10.249 8.745 -12.719 1.00 0.00 C ATOM 963 O ASP A 65 -10.963 9.629 -13.191 1.00 0.00 O ATOM 964 CB ASP A 65 -11.863 7.641 -11.201 1.00 0.00 C ATOM 965 CG ASP A 65 -12.205 6.656 -12.320 1.00 0.00 C ATOM 966 OD1 ASP A 65 -11.259 6.005 -12.812 1.00 0.00 O ATOM 967 OD2 ASP A 65 -13.406 6.577 -12.658 1.00 0.00 O ATOM 0 H ASP A 65 -10.688 10.262 -10.724 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.723 7.505 -11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.961 7.129 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.598 8.446 -11.208 1.00 0.00 H new ATOM 972 N ASP A 66 -9.262 8.150 -13.373 1.00 0.00 N ATOM 973 CA ASP A 66 -8.944 8.514 -14.743 1.00 0.00 C ATOM 974 C ASP A 66 -8.814 7.244 -15.586 1.00 0.00 C ATOM 975 O ASP A 66 -8.507 6.175 -15.062 1.00 0.00 O ATOM 976 CB ASP A 66 -7.616 9.270 -14.818 1.00 0.00 C ATOM 977 CG ASP A 66 -6.391 8.472 -14.367 1.00 0.00 C ATOM 978 OD1 ASP A 66 -5.845 7.741 -15.221 1.00 0.00 O ATOM 979 OD2 ASP A 66 -6.029 8.611 -13.179 1.00 0.00 O ATOM 0 H ASP A 66 -8.672 7.418 -12.979 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.744 9.153 -15.117 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.459 9.598 -15.846 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.691 10.168 -14.205 1.00 0.00 H new ATOM 984 N SER A 67 -9.053 7.404 -16.880 1.00 0.00 N ATOM 985 CA SER A 67 -8.966 6.284 -17.801 1.00 0.00 C ATOM 986 C SER A 67 -8.798 6.796 -19.233 1.00 0.00 C ATOM 987 O SER A 67 -9.035 7.972 -19.507 1.00 0.00 O ATOM 988 CB SER A 67 -10.203 5.390 -17.699 1.00 0.00 C ATOM 989 OG SER A 67 -11.364 6.021 -18.233 1.00 0.00 O ATOM 0 H SER A 67 -9.307 8.293 -17.312 1.00 0.00 H new ATOM 0 HA SER A 67 -8.096 5.686 -17.531 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.020 4.457 -18.232 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.379 5.132 -16.655 1.00 0.00 H new ATOM 0 HG SER A 67 -12.132 5.417 -18.151 1.00 0.00 H new ATOM 995 N GLY A 68 -8.391 5.889 -20.108 1.00 0.00 N ATOM 996 CA GLY A 68 -8.189 6.234 -21.505 1.00 0.00 C ATOM 997 C GLY A 68 -6.745 6.671 -21.758 1.00 0.00 C ATOM 998 O GLY A 68 -6.489 7.835 -22.065 1.00 0.00 O ATOM 0 H GLY A 68 -8.195 4.915 -19.877 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.429 5.376 -22.134 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.870 7.036 -21.787 1.00 0.00 H new ATOM 1002 N ILE A 69 -5.838 5.715 -21.620 1.00 0.00 N ATOM 1003 CA ILE A 69 -4.426 5.988 -21.829 1.00 0.00 C ATOM 1004 C ILE A 69 -3.838 4.924 -22.759 1.00 0.00 C ATOM 1005 O ILE A 69 -4.280 3.775 -22.751 1.00 0.00 O ATOM 1006 CB ILE A 69 -3.697 6.103 -20.489 1.00 0.00 C ATOM 1007 CG1 ILE A 69 -4.327 7.190 -19.615 1.00 0.00 C ATOM 1008 CG2 ILE A 69 -2.199 6.331 -20.697 1.00 0.00 C ATOM 1009 CD1 ILE A 69 -3.905 8.583 -20.084 1.00 0.00 C ATOM 0 H ILE A 69 -6.053 4.751 -21.366 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.294 6.952 -22.321 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.807 5.158 -19.958 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.413 7.105 -19.649 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.028 7.046 -18.577 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.705 6.409 -19.729 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.777 5.494 -21.253 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.046 7.253 -21.258 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.366 9.337 -19.446 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.820 8.673 -20.026 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.227 8.733 -21.114 1.00 0.00 H new ATOM 1021 N SER A 70 -2.852 5.343 -23.537 1.00 0.00 N ATOM 1022 CA SER A 70 -2.199 4.441 -24.471 1.00 0.00 C ATOM 1023 C SER A 70 -0.767 4.909 -24.737 1.00 0.00 C ATOM 1024 O SER A 70 -0.375 5.993 -24.309 1.00 0.00 O ATOM 1025 CB SER A 70 -2.980 4.347 -25.783 1.00 0.00 C ATOM 1026 OG SER A 70 -3.179 5.627 -26.378 1.00 0.00 O ATOM 0 H SER A 70 -2.489 6.296 -23.540 1.00 0.00 H new ATOM 0 HA SER A 70 -2.172 3.447 -24.024 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.443 3.703 -26.479 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.947 3.879 -25.597 1.00 0.00 H new ATOM 0 HG SER A 70 -3.680 5.525 -27.214 1.00 0.00 H new ATOM 1032 N GLY A 71 -0.025 4.067 -25.442 1.00 0.00 N ATOM 1033 CA GLY A 71 1.355 4.381 -25.770 1.00 0.00 C ATOM 1034 C GLY A 71 2.057 3.176 -26.400 1.00 0.00 C ATOM 1035 O GLY A 71 2.533 2.290 -25.692 1.00 0.00 O ATOM 0 H GLY A 71 -0.354 3.168 -25.795 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.386 5.225 -26.459 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.887 4.686 -24.868 1.00 0.00 H new ATOM 1039 N PRO A 72 2.099 3.182 -27.759 1.00 0.00 N ATOM 1040 CA PRO A 72 2.735 2.101 -28.493 1.00 0.00 C ATOM 1041 C PRO A 72 4.259 2.203 -28.410 1.00 0.00 C ATOM 1042 O PRO A 72 4.793 3.220 -27.969 1.00 0.00 O ATOM 1043 CB PRO A 72 2.207 2.226 -29.913 1.00 0.00 C ATOM 1044 CG PRO A 72 1.664 3.640 -30.033 1.00 0.00 C ATOM 1045 CD PRO A 72 1.546 4.215 -28.631 1.00 0.00 C ATOM 0 HA PRO A 72 2.503 1.119 -28.081 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.999 2.049 -30.641 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.426 1.490 -30.105 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.328 4.253 -30.642 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.692 3.635 -30.527 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.099 5.149 -28.538 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.508 4.433 -28.378 1.00 0.00 H new ATOM 1053 N SER A 73 4.916 1.136 -28.840 1.00 0.00 N ATOM 1054 CA SER A 73 6.368 1.093 -28.820 1.00 0.00 C ATOM 1055 C SER A 73 6.892 0.472 -30.117 1.00 0.00 C ATOM 1056 O SER A 73 6.165 -0.245 -30.803 1.00 0.00 O ATOM 1057 CB SER A 73 6.880 0.308 -27.611 1.00 0.00 C ATOM 1058 OG SER A 73 7.008 1.131 -26.455 1.00 0.00 O ATOM 0 H SER A 73 4.469 0.294 -29.204 1.00 0.00 H new ATOM 0 HA SER A 73 6.738 2.115 -28.739 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.197 -0.514 -27.397 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.847 -0.135 -27.849 1.00 0.00 H new ATOM 0 HG SER A 73 7.336 0.592 -25.705 1.00 0.00 H new ATOM 1064 N SER A 74 8.148 0.769 -30.413 1.00 0.00 N ATOM 1065 CA SER A 74 8.777 0.248 -31.614 1.00 0.00 C ATOM 1066 C SER A 74 10.160 -0.316 -31.280 1.00 0.00 C ATOM 1067 O SER A 74 11.073 0.433 -30.937 1.00 0.00 O ATOM 1068 CB SER A 74 8.892 1.330 -32.690 1.00 0.00 C ATOM 1069 OG SER A 74 8.106 1.026 -33.839 1.00 0.00 O ATOM 0 H SER A 74 8.748 1.364 -29.841 1.00 0.00 H new ATOM 0 HA SER A 74 8.150 -0.553 -32.007 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.575 2.287 -32.277 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.936 1.440 -32.984 1.00 0.00 H new ATOM 0 HG SER A 74 8.205 1.741 -34.502 1.00 0.00 H new ATOM 1075 N GLY A 75 10.269 -1.632 -31.390 1.00 0.00 N ATOM 1076 CA GLY A 75 11.525 -2.305 -31.103 1.00 0.00 C ATOM 1077 C GLY A 75 12.162 -2.846 -32.385 1.00 0.00 C ATOM 1078 O GLY A 75 11.753 -2.483 -33.487 1.00 0.00 O ATOM 0 H GLY A 75 9.509 -2.250 -31.674 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.211 -1.611 -30.617 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.352 -3.124 -30.405 1.00 0.00 H new TER 1082 GLY A 75