USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 928 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 80 GLN : amide:sc= 0.199 K(o=1.7,f=-1.6!) USER MOD Set 1.2: A 84 THR OG1 : rot 7:sc= -1.61! USER MOD Set 1.3: A 86 LYS NZ :NH3+ -169:sc= 2.07 (180deg=1.22) USER MOD Set 1.4: A 98 THR OG1 : rot -110:sc= 0.88 USER MOD Set 1.5: A 100 SER OG : rot 180:sc= 0.189 USER MOD Set 2.1: A 17 TYR OH : rot -50:sc= 1.18 USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= 1.11 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -148:sc= 1.06 (180deg=-0.277) USER MOD Set 3.2: A 16 ASN : amide:sc= -0.809 K(o=0.25,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.184 (180deg=0) USER MOD Single : A 5 SER OG : rot 29:sc= 0.829 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.068) USER MOD Single : A 25 THR OG1 : rot -36:sc= 0.379 USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= 0.534 (180deg=-1.24!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -132:sc= -2.9! USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -148:sc= -2.26! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.119! (180deg=-1.26!) USER MOD Single : A 47 TYR OH : rot -136:sc= -0.24 USER MOD Single : A 54 TYR OH : rot 130:sc= -0.426 USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.25) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.913) USER MOD Single : A 67 LYS NZ :NH3+ -113:sc= 1.25 (180deg=-0.0116) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.974 X(o=-0.97,f=-0.76) USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0.678 (180deg=0.669) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -118:sc= 1.2 USER MOD Single : A 104 THR OG1 : rot -140:sc= -1.05 USER MOD Single : A 110 LYS NZ :NH3+ -107:sc= 1.08 (180deg=-1.05!) USER MOD Single : A 115 ASN : amide:sc= -1.62 K(o=-1.6,f=-5!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -151:sc= 1.26 USER MOD Single : A 119 LYS NZ :NH3+ 173:sc= 1.04 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.254 13.842 -12.469 1.00 0.00 N ATOM 2 CA GLY A 1 5.691 14.025 -12.608 1.00 0.00 C ATOM 3 C GLY A 1 6.316 14.266 -11.260 1.00 0.00 C ATOM 4 O GLY A 1 5.592 14.345 -10.265 1.00 0.00 O ATOM 0 H1 GLY A 1 4.016 12.840 -12.613 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.957 14.134 -11.516 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.760 14.421 -13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.134 13.143 -13.070 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.896 14.868 -13.268 1.00 0.00 H new ATOM 10 N PRO A 2 7.659 14.397 -11.185 1.00 0.00 N ATOM 11 CA PRO A 2 8.399 14.595 -9.925 1.00 0.00 C ATOM 12 C PRO A 2 7.878 15.756 -9.051 1.00 0.00 C ATOM 13 O PRO A 2 7.673 15.578 -7.847 1.00 0.00 O ATOM 14 CB PRO A 2 9.845 14.861 -10.379 1.00 0.00 C ATOM 15 CG PRO A 2 9.764 15.106 -11.849 1.00 0.00 C ATOM 16 CD PRO A 2 8.581 14.333 -12.332 1.00 0.00 C ATOM 0 HA PRO A 2 8.288 13.722 -9.281 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.267 15.722 -9.861 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.488 14.009 -10.158 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.648 16.169 -12.061 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.675 14.778 -12.350 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.145 14.778 -13.227 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.844 13.305 -12.583 1.00 0.00 H new ATOM 24 N LEU A 3 7.629 16.926 -9.641 1.00 0.00 N ATOM 25 CA LEU A 3 7.157 18.052 -8.833 1.00 0.00 C ATOM 26 C LEU A 3 5.660 17.975 -8.584 1.00 0.00 C ATOM 27 O LEU A 3 5.133 18.595 -7.658 1.00 0.00 O ATOM 28 CB LEU A 3 7.617 19.450 -9.370 1.00 0.00 C ATOM 29 CG LEU A 3 7.246 19.891 -10.810 1.00 0.00 C ATOM 30 CD1 LEU A 3 5.743 20.077 -11.004 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.970 21.178 -11.157 1.00 0.00 C ATOM 0 H LEU A 3 7.740 17.116 -10.637 1.00 0.00 H new ATOM 0 HA LEU A 3 7.647 17.956 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.223 20.204 -8.689 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.704 19.486 -9.290 1.00 0.00 H new ATOM 0 HG LEU A 3 7.559 19.089 -11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.544 20.386 -12.030 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.231 19.136 -10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.380 20.842 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.705 21.483 -12.170 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.679 21.960 -10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.046 21.018 -11.096 1.00 0.00 H new ATOM 43 N GLY A 4 4.989 17.181 -9.390 1.00 0.00 N ATOM 44 CA GLY A 4 3.564 17.021 -9.272 1.00 0.00 C ATOM 45 C GLY A 4 3.201 15.815 -8.460 1.00 0.00 C ATOM 46 O GLY A 4 2.064 15.350 -8.493 1.00 0.00 O ATOM 0 H GLY A 4 5.415 16.634 -10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.136 17.911 -8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.125 16.935 -10.266 1.00 0.00 H new ATOM 50 N SER A 5 4.159 15.297 -7.726 1.00 0.00 N ATOM 51 CA SER A 5 3.917 14.184 -6.868 1.00 0.00 C ATOM 52 C SER A 5 3.311 14.668 -5.545 1.00 0.00 C ATOM 53 O SER A 5 3.971 14.699 -4.503 1.00 0.00 O ATOM 54 CB SER A 5 5.198 13.371 -6.641 1.00 0.00 C ATOM 55 OG SER A 5 5.744 12.918 -7.876 1.00 0.00 O ATOM 0 H SER A 5 5.119 15.640 -7.714 1.00 0.00 H new ATOM 0 HA SER A 5 3.200 13.518 -7.349 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.933 13.983 -6.118 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.981 12.516 -6.000 1.00 0.00 H new ATOM 0 HG SER A 5 5.513 13.551 -8.588 1.00 0.00 H new ATOM 61 N GLU A 6 2.072 15.129 -5.635 1.00 0.00 N ATOM 62 CA GLU A 6 1.298 15.584 -4.482 1.00 0.00 C ATOM 63 C GLU A 6 0.893 14.370 -3.737 1.00 0.00 C ATOM 64 O GLU A 6 0.748 14.361 -2.514 1.00 0.00 O ATOM 65 CB GLU A 6 0.072 16.327 -4.954 1.00 0.00 C ATOM 66 CG GLU A 6 0.379 17.405 -5.959 1.00 0.00 C ATOM 67 CD GLU A 6 -0.808 17.715 -6.796 1.00 0.00 C ATOM 68 OE1 GLU A 6 -1.219 16.837 -7.576 1.00 0.00 O1- ATOM 69 OE2 GLU A 6 -1.360 18.817 -6.697 1.00 0.00 O ATOM 0 H GLU A 6 1.568 15.200 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 6 1.882 16.255 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.627 15.617 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.427 16.773 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.707 18.306 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.204 17.087 -6.597 1.00 0.00 H new ATOM 76 N GLY A 7 0.693 13.362 -4.507 1.00 0.00 N ATOM 77 CA GLY A 7 0.472 12.065 -4.016 1.00 0.00 C ATOM 78 C GLY A 7 1.768 11.305 -4.156 1.00 0.00 C ATOM 79 O GLY A 7 2.141 10.922 -5.276 1.00 0.00 O ATOM 0 H GLY A 7 0.680 13.427 -5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.156 12.098 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.324 11.573 -4.575 1.00 0.00 H new ATOM 83 N PRO A 8 2.525 11.138 -3.060 1.00 0.00 N ATOM 84 CA PRO A 8 3.826 10.466 -3.100 1.00 0.00 C ATOM 85 C PRO A 8 3.652 8.992 -3.337 1.00 0.00 C ATOM 86 O PRO A 8 4.454 8.343 -4.018 1.00 0.00 O ATOM 87 CB PRO A 8 4.365 10.666 -1.697 1.00 0.00 C ATOM 88 CG PRO A 8 3.182 10.868 -0.843 1.00 0.00 C ATOM 89 CD PRO A 8 2.176 11.580 -1.686 1.00 0.00 C ATOM 0 HA PRO A 8 4.470 10.853 -3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.940 9.800 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.032 11.527 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.789 9.914 -0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.435 11.455 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.156 11.303 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.251 12.662 -1.578 1.00 0.00 H new ATOM 97 N VAL A 9 2.596 8.502 -2.765 1.00 0.00 N ATOM 98 CA VAL A 9 2.218 7.158 -2.814 1.00 0.00 C ATOM 99 C VAL A 9 1.453 6.908 -4.102 1.00 0.00 C ATOM 100 O VAL A 9 0.624 7.734 -4.528 1.00 0.00 O ATOM 101 CB VAL A 9 1.410 6.778 -1.525 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.316 7.780 -1.208 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.838 5.398 -1.618 1.00 0.00 C ATOM 0 H VAL A 9 1.950 9.078 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 9 3.093 6.509 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 9 2.126 6.801 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.212 7.469 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.758 8.763 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.385 7.829 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.285 5.171 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.166 5.340 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.646 4.677 -1.741 1.00 0.00 H new ATOM 113 N THR A 10 1.756 5.804 -4.717 1.00 0.00 N ATOM 114 CA THR A 10 1.250 5.454 -5.983 1.00 0.00 C ATOM 115 C THR A 10 -0.192 5.012 -5.870 1.00 0.00 C ATOM 116 O THR A 10 -0.505 3.880 -5.502 1.00 0.00 O ATOM 117 CB THR A 10 2.117 4.347 -6.604 1.00 0.00 C ATOM 118 OG1 THR A 10 3.509 4.732 -6.487 1.00 0.00 O ATOM 119 CG2 THR A 10 1.779 4.160 -8.080 1.00 0.00 C ATOM 0 H THR A 10 2.387 5.106 -4.324 1.00 0.00 H new ATOM 0 HA THR A 10 1.284 6.327 -6.635 1.00 0.00 H new ATOM 0 HB THR A 10 1.927 3.410 -6.080 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.075 4.034 -6.878 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.404 3.372 -8.499 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.730 3.883 -8.181 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.961 5.092 -8.616 1.00 0.00 H new ATOM 127 N VAL A 11 -1.047 5.938 -6.072 1.00 0.00 N ATOM 128 CA VAL A 11 -2.436 5.688 -6.099 1.00 0.00 C ATOM 129 C VAL A 11 -2.805 5.003 -7.423 1.00 0.00 C ATOM 130 O VAL A 11 -2.809 5.602 -8.502 1.00 0.00 O ATOM 131 CB VAL A 11 -3.240 6.984 -5.808 1.00 0.00 C ATOM 132 CG1 VAL A 11 -2.749 8.145 -6.658 1.00 0.00 C ATOM 133 CG2 VAL A 11 -4.737 6.760 -5.968 1.00 0.00 C ATOM 0 H VAL A 11 -0.796 6.914 -6.227 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.711 4.999 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.065 7.251 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.333 9.036 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.698 8.335 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.863 7.897 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.268 7.688 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.951 6.444 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.066 5.987 -5.273 1.00 0.00 H new ATOM 143 N VAL A 12 -3.041 3.737 -7.316 1.00 0.00 N ATOM 144 CA VAL A 12 -3.314 2.874 -8.424 1.00 0.00 C ATOM 145 C VAL A 12 -4.809 2.638 -8.445 1.00 0.00 C ATOM 146 O VAL A 12 -5.430 2.572 -7.400 1.00 0.00 O ATOM 147 CB VAL A 12 -2.614 1.488 -8.203 1.00 0.00 C ATOM 148 CG1 VAL A 12 -2.733 0.625 -9.415 1.00 0.00 C ATOM 149 CG2 VAL A 12 -1.154 1.626 -7.830 1.00 0.00 C ATOM 0 H VAL A 12 -3.050 3.253 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.954 3.322 -9.350 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.133 1.019 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.239 -0.329 -9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.786 0.451 -9.636 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.261 1.122 -10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.719 0.636 -7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.622 2.146 -8.627 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.067 2.196 -6.905 1.00 0.00 H new ATOM 159 N VAL A 13 -5.395 2.582 -9.601 1.00 0.00 N ATOM 160 CA VAL A 13 -6.784 2.205 -9.694 1.00 0.00 C ATOM 161 C VAL A 13 -6.864 0.692 -9.733 1.00 0.00 C ATOM 162 O VAL A 13 -5.830 0.029 -9.917 1.00 0.00 O ATOM 163 CB VAL A 13 -7.472 2.787 -10.943 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.577 4.281 -10.844 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.715 2.411 -12.184 1.00 0.00 C ATOM 0 H VAL A 13 -4.943 2.790 -10.491 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.305 2.609 -8.826 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.477 2.368 -11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.066 4.671 -11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.162 4.547 -9.964 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.579 4.711 -10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.215 2.831 -13.057 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.700 2.804 -12.124 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.679 1.325 -12.273 1.00 0.00 H new ATOM 175 N ALA A 14 -8.060 0.142 -9.614 1.00 0.00 N ATOM 176 CA ALA A 14 -8.250 -1.307 -9.600 1.00 0.00 C ATOM 177 C ALA A 14 -7.740 -1.916 -10.889 1.00 0.00 C ATOM 178 O ALA A 14 -7.180 -3.015 -10.896 1.00 0.00 O ATOM 179 CB ALA A 14 -9.702 -1.646 -9.383 1.00 0.00 C ATOM 0 H ALA A 14 -8.923 0.678 -9.525 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.677 -1.727 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.826 -2.729 -9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.033 -1.236 -8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.300 -1.218 -10.188 1.00 0.00 H new ATOM 185 N LYS A 15 -7.851 -1.122 -11.951 1.00 0.00 N ATOM 186 CA LYS A 15 -7.390 -1.471 -13.281 1.00 0.00 C ATOM 187 C LYS A 15 -5.911 -1.893 -13.290 1.00 0.00 C ATOM 188 O LYS A 15 -5.532 -2.840 -13.981 1.00 0.00 O ATOM 189 CB LYS A 15 -7.624 -0.276 -14.228 1.00 0.00 C ATOM 190 CG LYS A 15 -6.761 -0.269 -15.465 1.00 0.00 C ATOM 191 CD LYS A 15 -6.889 1.033 -16.230 1.00 0.00 C ATOM 192 CE LYS A 15 -5.996 1.054 -17.462 1.00 0.00 C ATOM 193 NZ LYS A 15 -4.572 0.801 -17.139 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.276 -0.196 -11.903 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.962 -2.332 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.671 -0.272 -14.533 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.449 0.647 -13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.720 -0.425 -15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.044 -1.100 -16.111 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.927 1.178 -16.531 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.627 1.866 -15.577 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.343 0.302 -18.170 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.086 2.022 -17.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.967 1.323 -17.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.374 1.119 -16.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.374 -0.217 -17.217 1.00 0.00 H new ATOM 207 N ASN A 16 -5.077 -1.215 -12.521 1.00 0.00 N ATOM 208 CA ASN A 16 -3.661 -1.555 -12.557 1.00 0.00 C ATOM 209 C ASN A 16 -3.237 -2.200 -11.272 1.00 0.00 C ATOM 210 O ASN A 16 -2.102 -2.582 -11.114 1.00 0.00 O ATOM 211 CB ASN A 16 -2.728 -0.365 -12.823 1.00 0.00 C ATOM 212 CG ASN A 16 -3.350 0.838 -13.421 1.00 0.00 C ATOM 213 OD1 ASN A 16 -3.575 0.924 -14.613 1.00 0.00 O ATOM 214 ND2 ASN A 16 -3.542 1.813 -12.604 1.00 0.00 N ATOM 0 H ASN A 16 -5.337 -0.458 -11.889 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.564 -2.241 -13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.264 -0.077 -11.880 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.927 -0.699 -13.483 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.897 2.705 -12.949 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.339 1.694 -11.612 1.00 0.00 H new ATOM 221 N TYR A 17 -4.137 -2.307 -10.342 1.00 0.00 N ATOM 222 CA TYR A 17 -3.858 -2.911 -9.061 1.00 0.00 C ATOM 223 C TYR A 17 -3.376 -4.350 -9.192 1.00 0.00 C ATOM 224 O TYR A 17 -2.519 -4.794 -8.439 1.00 0.00 O ATOM 225 CB TYR A 17 -5.070 -2.734 -8.158 1.00 0.00 C ATOM 226 CG TYR A 17 -5.306 -3.789 -7.105 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.574 -3.818 -5.943 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.289 -4.757 -7.289 1.00 0.00 C ATOM 229 CE1 TYR A 17 -4.799 -4.778 -4.986 1.00 0.00 C ATOM 230 CE2 TYR A 17 -6.529 -5.718 -6.337 1.00 0.00 C ATOM 231 CZ TYR A 17 -5.780 -5.726 -5.185 1.00 0.00 C ATOM 232 OH TYR A 17 -6.019 -6.675 -4.224 1.00 0.00 O ATOM 0 H TYR A 17 -5.096 -1.977 -10.445 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.019 -2.400 -8.588 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.980 -1.770 -7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.957 -2.683 -8.789 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.809 -3.074 -5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.874 -4.753 -8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.209 -4.790 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.299 -6.460 -6.492 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.174 -7.098 -3.965 1.00 0.00 H new ATOM 242 N ASN A 18 -3.841 -5.020 -10.205 1.00 0.00 N ATOM 243 CA ASN A 18 -3.443 -6.380 -10.455 1.00 0.00 C ATOM 244 C ASN A 18 -2.054 -6.431 -11.097 1.00 0.00 C ATOM 245 O ASN A 18 -1.435 -7.485 -11.150 1.00 0.00 O ATOM 246 CB ASN A 18 -4.470 -7.116 -11.340 1.00 0.00 C ATOM 247 CG ASN A 18 -4.710 -6.431 -12.682 1.00 0.00 C ATOM 248 OD1 ASN A 18 -3.998 -6.664 -13.652 1.00 0.00 O ATOM 249 ND2 ASN A 18 -5.733 -5.608 -12.754 1.00 0.00 N ATOM 0 H ASN A 18 -4.505 -4.643 -10.881 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.402 -6.891 -9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.124 -8.134 -11.516 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.416 -7.189 -10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.953 -5.143 -13.635 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.307 -5.435 -11.929 1.00 0.00 H new ATOM 256 N GLU A 19 -1.555 -5.295 -11.567 1.00 0.00 N ATOM 257 CA GLU A 19 -0.251 -5.292 -12.226 1.00 0.00 C ATOM 258 C GLU A 19 0.805 -4.672 -11.356 1.00 0.00 C ATOM 259 O GLU A 19 1.916 -5.148 -11.242 1.00 0.00 O ATOM 260 CB GLU A 19 -0.328 -4.603 -13.587 1.00 0.00 C ATOM 261 CG GLU A 19 -0.501 -3.109 -13.630 1.00 0.00 C ATOM 262 CD GLU A 19 -0.655 -2.595 -15.032 1.00 0.00 C ATOM 263 OE1 GLU A 19 0.348 -2.414 -15.720 1.00 0.00 O ATOM 264 OE2 GLU A 19 -1.785 -2.358 -15.470 1.00 0.00 O1- ATOM 0 H GLU A 19 -2.016 -4.387 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 19 0.038 -6.330 -12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.583 -4.846 -14.133 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.157 -5.048 -14.137 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.377 -2.830 -13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.360 -2.632 -13.163 1.00 0.00 H new ATOM 271 N ILE A 20 0.431 -3.596 -10.797 1.00 0.00 N ATOM 272 CA ILE A 20 1.288 -2.785 -9.943 1.00 0.00 C ATOM 273 C ILE A 20 1.397 -3.368 -8.538 1.00 0.00 C ATOM 274 O ILE A 20 2.486 -3.613 -8.045 1.00 0.00 O ATOM 275 CB ILE A 20 0.732 -1.341 -9.819 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.521 -0.693 -11.208 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.654 -0.483 -8.946 1.00 0.00 C ATOM 278 CD1 ILE A 20 1.778 -0.313 -11.955 1.00 0.00 C ATOM 0 H ILE A 20 -0.509 -3.215 -10.906 1.00 0.00 H new ATOM 0 HA ILE A 20 2.273 -2.775 -10.410 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.243 -1.398 -9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.052 -1.384 -11.827 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.088 0.202 -11.082 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.248 0.526 -8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.724 -0.921 -7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.646 -0.442 -9.395 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.511 0.131 -12.914 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.347 0.407 -11.367 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.384 -1.203 -12.124 1.00 0.00 H new ATOM 290 N VAL A 21 0.256 -3.580 -7.908 1.00 0.00 N ATOM 291 CA VAL A 21 0.209 -4.002 -6.517 1.00 0.00 C ATOM 292 C VAL A 21 0.344 -5.482 -6.395 1.00 0.00 C ATOM 293 O VAL A 21 0.891 -5.993 -5.444 1.00 0.00 O ATOM 294 CB VAL A 21 -1.114 -3.552 -5.903 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.217 -3.939 -4.439 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.275 -2.054 -6.087 1.00 0.00 C ATOM 0 H VAL A 21 -0.660 -3.466 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 21 1.044 -3.544 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.926 -4.064 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.173 -3.601 -4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.147 -5.023 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.405 -3.472 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.220 -1.733 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.452 -1.536 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.269 -1.815 -7.151 1.00 0.00 H new ATOM 306 N LEU A 22 -0.103 -6.155 -7.382 1.00 0.00 N ATOM 307 CA LEU A 22 -0.081 -7.567 -7.380 1.00 0.00 C ATOM 308 C LEU A 22 1.164 -7.991 -8.177 1.00 0.00 C ATOM 309 O LEU A 22 1.195 -9.014 -8.861 1.00 0.00 O ATOM 310 CB LEU A 22 -1.391 -8.031 -8.012 1.00 0.00 C ATOM 311 CG LEU A 22 -2.030 -9.351 -7.508 1.00 0.00 C ATOM 312 CD1 LEU A 22 -3.215 -9.748 -8.363 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.033 -10.489 -7.388 1.00 0.00 C ATOM 0 H LEU A 22 -0.499 -5.739 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.013 -8.014 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.124 -7.236 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.224 -8.132 -9.084 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.387 -9.151 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.642 -10.677 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.969 -8.962 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.889 -9.892 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.543 -11.384 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.590 -10.689 -8.364 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.249 -10.213 -6.683 1.00 0.00 H new ATOM 325 N ASP A 23 2.176 -7.174 -8.084 1.00 0.00 N ATOM 326 CA ASP A 23 3.452 -7.449 -8.714 1.00 0.00 C ATOM 327 C ASP A 23 4.384 -8.075 -7.697 1.00 0.00 C ATOM 328 O ASP A 23 4.270 -7.794 -6.515 1.00 0.00 O ATOM 329 CB ASP A 23 4.074 -6.182 -9.223 1.00 0.00 C ATOM 330 CG ASP A 23 5.346 -6.428 -9.938 1.00 0.00 C ATOM 331 OD1 ASP A 23 5.338 -6.870 -11.099 1.00 0.00 O ATOM 332 OD2 ASP A 23 6.381 -6.151 -9.362 1.00 0.00 O1- ATOM 0 H ASP A 23 2.146 -6.294 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 23 3.289 -8.127 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.375 -5.680 -9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.255 -5.507 -8.386 1.00 0.00 H new ATOM 337 N ASP A 24 5.298 -8.917 -8.140 1.00 0.00 N ATOM 338 CA ASP A 24 6.180 -9.585 -7.220 1.00 0.00 C ATOM 339 C ASP A 24 7.647 -9.222 -7.418 1.00 0.00 C ATOM 340 O ASP A 24 8.539 -9.948 -6.959 1.00 0.00 O ATOM 341 CB ASP A 24 5.964 -11.103 -7.223 1.00 0.00 C ATOM 342 CG ASP A 24 6.377 -11.829 -8.490 1.00 0.00 C ATOM 343 OD1 ASP A 24 7.534 -12.279 -8.587 1.00 0.00 O ATOM 344 OD2 ASP A 24 5.516 -12.066 -9.367 1.00 0.00 O1- ATOM 0 H ASP A 24 5.444 -9.149 -9.122 1.00 0.00 H new ATOM 0 HA ASP A 24 5.912 -9.216 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.516 -11.531 -6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.907 -11.300 -7.042 1.00 0.00 H new ATOM 349 N THR A 25 7.940 -8.107 -8.057 1.00 0.00 N ATOM 350 CA THR A 25 9.329 -7.728 -8.156 1.00 0.00 C ATOM 351 C THR A 25 9.679 -6.681 -7.084 1.00 0.00 C ATOM 352 O THR A 25 10.845 -6.274 -6.945 1.00 0.00 O ATOM 353 CB THR A 25 9.798 -7.311 -9.599 1.00 0.00 C ATOM 354 OG1 THR A 25 11.225 -7.180 -9.641 1.00 0.00 O ATOM 355 CG2 THR A 25 9.189 -6.008 -10.052 1.00 0.00 C ATOM 0 H THR A 25 7.269 -7.476 -8.495 1.00 0.00 H new ATOM 0 HA THR A 25 9.907 -8.630 -7.955 1.00 0.00 H new ATOM 0 HB THR A 25 9.462 -8.101 -10.271 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.545 -6.813 -8.790 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.546 -5.768 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.103 -6.100 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.477 -5.213 -9.364 1.00 0.00 H new ATOM 363 N LYS A 26 8.671 -6.260 -6.330 1.00 0.00 N ATOM 364 CA LYS A 26 8.861 -5.395 -5.168 1.00 0.00 C ATOM 365 C LYS A 26 7.763 -5.680 -4.186 1.00 0.00 C ATOM 366 O LYS A 26 6.760 -6.271 -4.572 1.00 0.00 O ATOM 367 CB LYS A 26 8.880 -3.879 -5.504 1.00 0.00 C ATOM 368 CG LYS A 26 7.618 -3.302 -6.139 1.00 0.00 C ATOM 369 CD LYS A 26 7.478 -3.691 -7.586 1.00 0.00 C ATOM 370 CE LYS A 26 6.236 -3.105 -8.206 1.00 0.00 C ATOM 371 NZ LYS A 26 6.174 -3.421 -9.635 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.697 -6.508 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 26 9.844 -5.620 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.080 -3.329 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.716 -3.690 -6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.745 -3.648 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.637 -2.215 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.354 -3.353 -8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.448 -4.777 -7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.352 -3.497 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.229 -2.024 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.184 -3.403 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.722 -2.717 -10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.572 -4.368 -9.799 1.00 0.00 H new ATOM 385 N ASP A 27 7.941 -5.287 -2.938 1.00 0.00 N ATOM 386 CA ASP A 27 6.888 -5.481 -1.955 1.00 0.00 C ATOM 387 C ASP A 27 5.912 -4.340 -2.147 1.00 0.00 C ATOM 388 O ASP A 27 6.328 -3.196 -2.246 1.00 0.00 O ATOM 389 CB ASP A 27 7.429 -5.457 -0.492 1.00 0.00 C ATOM 390 CG ASP A 27 8.316 -6.643 -0.064 1.00 0.00 C ATOM 391 OD1 ASP A 27 8.088 -7.797 -0.480 1.00 0.00 O1- ATOM 392 OD2 ASP A 27 9.249 -6.439 0.727 1.00 0.00 O ATOM 0 H ASP A 27 8.787 -4.840 -2.584 1.00 0.00 H new ATOM 0 HA ASP A 27 6.427 -6.458 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.999 -4.538 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.577 -5.407 0.186 1.00 0.00 H new ATOM 397 N VAL A 28 4.658 -4.612 -2.294 1.00 0.00 N ATOM 398 CA VAL A 28 3.714 -3.532 -2.451 1.00 0.00 C ATOM 399 C VAL A 28 2.692 -3.497 -1.328 1.00 0.00 C ATOM 400 O VAL A 28 1.976 -4.466 -1.083 1.00 0.00 O ATOM 401 CB VAL A 28 2.988 -3.548 -3.823 1.00 0.00 C ATOM 402 CG1 VAL A 28 2.173 -2.280 -4.002 1.00 0.00 C ATOM 403 CG2 VAL A 28 3.971 -3.697 -4.962 1.00 0.00 C ATOM 0 H VAL A 28 4.259 -5.550 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 28 4.315 -2.623 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 28 2.319 -4.408 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.669 -2.305 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.430 -2.210 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.833 -1.414 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.432 -3.705 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.671 -2.862 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.520 -4.632 -4.849 1.00 0.00 H new ATOM 413 N LEU A 29 2.649 -2.381 -0.638 1.00 0.00 N ATOM 414 CA LEU A 29 1.651 -2.137 0.372 1.00 0.00 C ATOM 415 C LEU A 29 0.485 -1.483 -0.268 1.00 0.00 C ATOM 416 O LEU A 29 0.630 -0.387 -0.794 1.00 0.00 O ATOM 417 CB LEU A 29 2.152 -1.173 1.442 1.00 0.00 C ATOM 418 CG LEU A 29 2.778 -1.741 2.697 1.00 0.00 C ATOM 419 CD1 LEU A 29 3.149 -0.600 3.613 1.00 0.00 C ATOM 420 CD2 LEU A 29 1.811 -2.684 3.407 1.00 0.00 C ATOM 0 H LEU A 29 3.310 -1.614 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 29 1.402 -3.095 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.885 -0.514 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.311 -0.550 1.745 1.00 0.00 H new ATOM 0 HG LEU A 29 3.668 -2.311 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.602 -0.996 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.860 0.055 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.254 -0.034 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.283 -3.080 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.907 -2.140 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.551 -3.507 2.741 1.00 0.00 H new ATOM 432 N ILE A 30 -0.641 -2.115 -0.259 1.00 0.00 N ATOM 433 CA ILE A 30 -1.827 -1.443 -0.783 1.00 0.00 C ATOM 434 C ILE A 30 -2.720 -0.988 0.352 1.00 0.00 C ATOM 435 O ILE A 30 -2.819 -1.655 1.372 1.00 0.00 O ATOM 436 CB ILE A 30 -2.680 -2.292 -1.775 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.848 -1.480 -2.328 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.209 -3.538 -1.141 1.00 0.00 C ATOM 439 CD1 ILE A 30 -3.574 -0.785 -3.616 1.00 0.00 C ATOM 0 H ILE A 30 -0.785 -3.063 0.088 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.437 -0.598 -1.350 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.013 -2.575 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.701 -2.145 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.139 -0.737 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.796 -4.096 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.377 -4.153 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.840 -3.275 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.462 -0.235 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.744 -0.090 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.315 -1.520 -4.378 1.00 0.00 H new ATOM 451 N GLU A 31 -3.346 0.126 0.149 1.00 0.00 N ATOM 452 CA GLU A 31 -4.306 0.672 1.063 1.00 0.00 C ATOM 453 C GLU A 31 -5.611 0.952 0.295 1.00 0.00 C ATOM 454 O GLU A 31 -5.684 1.861 -0.536 1.00 0.00 O ATOM 455 CB GLU A 31 -3.739 1.940 1.707 1.00 0.00 C ATOM 456 CG GLU A 31 -4.594 2.588 2.781 1.00 0.00 C ATOM 457 CD GLU A 31 -3.882 3.763 3.429 1.00 0.00 C ATOM 458 OE1 GLU A 31 -3.949 4.894 2.879 1.00 0.00 O ATOM 459 OE2 GLU A 31 -3.231 3.570 4.500 1.00 0.00 O1- ATOM 0 H GLU A 31 -3.202 0.701 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.522 -0.033 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.769 1.699 2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.563 2.674 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.533 2.927 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.845 1.849 3.542 1.00 0.00 H new ATOM 466 N PHE A 32 -6.581 0.106 0.497 1.00 0.00 N ATOM 467 CA PHE A 32 -7.904 0.261 -0.089 1.00 0.00 C ATOM 468 C PHE A 32 -8.606 1.309 0.679 1.00 0.00 C ATOM 469 O PHE A 32 -8.662 1.204 1.898 1.00 0.00 O ATOM 470 CB PHE A 32 -8.723 -1.014 0.060 1.00 0.00 C ATOM 471 CG PHE A 32 -8.146 -2.213 -0.657 1.00 0.00 C ATOM 472 CD1 PHE A 32 -8.476 -2.475 -1.967 1.00 0.00 C ATOM 473 CD2 PHE A 32 -7.271 -3.059 -0.024 1.00 0.00 C ATOM 474 CE1 PHE A 32 -7.934 -3.562 -2.626 1.00 0.00 C ATOM 475 CE2 PHE A 32 -6.735 -4.137 -0.672 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.065 -4.390 -1.974 1.00 0.00 C ATOM 0 H PHE A 32 -6.485 -0.726 1.080 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.796 0.504 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.816 -1.250 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.730 -0.831 -0.316 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.165 -1.825 -2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.001 -2.870 1.004 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.197 -3.757 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.049 -4.790 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.640 -5.241 -2.485 1.00 0.00 H new ATOM 486 N TYR A 33 -9.141 2.295 0.005 1.00 0.00 N ATOM 487 CA TYR A 33 -9.817 3.367 0.685 1.00 0.00 C ATOM 488 C TYR A 33 -11.037 3.838 -0.076 1.00 0.00 C ATOM 489 O TYR A 33 -11.405 3.295 -1.114 1.00 0.00 O ATOM 490 CB TYR A 33 -8.865 4.569 0.892 1.00 0.00 C ATOM 491 CG TYR A 33 -8.434 5.288 -0.391 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.432 4.790 -1.198 1.00 0.00 C ATOM 493 CD2 TYR A 33 -9.052 6.475 -0.783 1.00 0.00 C ATOM 494 CE1 TYR A 33 -7.057 5.448 -2.356 1.00 0.00 C ATOM 495 CE2 TYR A 33 -8.685 7.131 -1.934 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.689 6.610 -2.717 1.00 0.00 C ATOM 497 OH TYR A 33 -7.303 7.269 -3.854 1.00 0.00 O ATOM 0 H TYR A 33 -9.121 2.377 -1.012 1.00 0.00 H new ATOM 0 HA TYR A 33 -10.137 2.974 1.650 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.353 5.290 1.547 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.972 4.220 1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.933 3.873 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.837 6.889 -0.168 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.268 5.047 -2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.178 8.049 -2.218 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.851 8.074 -3.968 1.00 0.00 H new ATOM 507 N ALA A 34 -11.610 4.866 0.467 1.00 0.00 N ATOM 508 CA ALA A 34 -12.715 5.613 -0.072 1.00 0.00 C ATOM 509 C ALA A 34 -12.349 7.049 0.207 1.00 0.00 C ATOM 510 O ALA A 34 -11.655 7.274 1.164 1.00 0.00 O ATOM 511 CB ALA A 34 -14.005 5.255 0.655 1.00 0.00 C ATOM 0 H ALA A 34 -11.298 5.236 1.365 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.882 5.411 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.831 5.829 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.206 4.190 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.903 5.489 1.715 1.00 0.00 H new ATOM 517 N PRO A 35 -12.799 8.044 -0.546 1.00 0.00 N ATOM 518 CA PRO A 35 -12.332 9.414 -0.347 1.00 0.00 C ATOM 519 C PRO A 35 -13.121 10.093 0.752 1.00 0.00 C ATOM 520 O PRO A 35 -12.740 11.118 1.309 1.00 0.00 O ATOM 521 CB PRO A 35 -12.578 10.054 -1.703 1.00 0.00 C ATOM 522 CG PRO A 35 -13.716 9.289 -2.318 1.00 0.00 C ATOM 523 CD PRO A 35 -13.819 7.964 -1.597 1.00 0.00 C ATOM 0 HA PRO A 35 -11.291 9.485 -0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.829 11.110 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.687 9.999 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.647 9.848 -2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.541 9.133 -3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.813 7.816 -1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -13.631 7.128 -2.271 1.00 0.00 H new ATOM 531 N TRP A 36 -14.208 9.469 1.071 1.00 0.00 N ATOM 532 CA TRP A 36 -15.100 9.924 2.131 1.00 0.00 C ATOM 533 C TRP A 36 -14.830 9.206 3.441 1.00 0.00 C ATOM 534 O TRP A 36 -15.508 9.417 4.435 1.00 0.00 O ATOM 535 CB TRP A 36 -16.554 9.757 1.712 1.00 0.00 C ATOM 536 CG TRP A 36 -16.936 8.378 1.229 1.00 0.00 C ATOM 537 CD1 TRP A 36 -17.038 7.983 -0.068 1.00 0.00 C ATOM 538 CD2 TRP A 36 -17.279 7.223 2.025 1.00 0.00 C ATOM 539 NE1 TRP A 36 -17.407 6.670 -0.136 1.00 0.00 N ATOM 540 CE2 TRP A 36 -17.566 6.179 1.131 1.00 0.00 C ATOM 541 CE3 TRP A 36 -17.371 6.974 3.400 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -17.931 4.907 1.564 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -17.734 5.712 3.826 1.00 0.00 C ATOM 544 CH2 TRP A 36 -18.011 4.694 2.911 1.00 0.00 C ATOM 0 H TRP A 36 -14.521 8.616 0.607 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.904 10.983 2.296 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -17.190 10.016 2.558 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -16.770 10.474 0.920 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.854 8.617 -0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.543 6.139 -0.996 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -17.162 7.756 4.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -18.143 4.116 0.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -17.805 5.509 4.884 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -18.294 3.718 3.276 1.00 0.00 H new ATOM 555 N CYS A 37 -13.822 8.398 3.438 1.00 0.00 N ATOM 556 CA CYS A 37 -13.512 7.572 4.583 1.00 0.00 C ATOM 557 C CYS A 37 -12.762 8.372 5.632 1.00 0.00 C ATOM 558 O CYS A 37 -11.704 8.919 5.354 1.00 0.00 O ATOM 559 CB CYS A 37 -12.661 6.379 4.141 1.00 0.00 C ATOM 560 SG CYS A 37 -12.335 5.134 5.398 1.00 0.00 S ATOM 0 H CYS A 37 -13.185 8.284 2.650 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.446 7.215 5.018 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.158 5.896 3.300 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -11.706 6.755 3.774 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.068 4.844 5.403 1.00 0.00 H new ATOM 566 N GLY A 38 -13.311 8.448 6.827 1.00 0.00 N ATOM 567 CA GLY A 38 -12.613 9.093 7.917 1.00 0.00 C ATOM 568 C GLY A 38 -11.306 8.378 8.204 1.00 0.00 C ATOM 569 O GLY A 38 -10.285 9.012 8.497 1.00 0.00 O ATOM 0 H GLY A 38 -14.230 8.075 7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.417 10.135 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.239 9.092 8.809 1.00 0.00 H new ATOM 573 N HIS A 39 -11.335 7.050 8.077 1.00 0.00 N ATOM 574 CA HIS A 39 -10.154 6.218 8.285 1.00 0.00 C ATOM 575 C HIS A 39 -9.042 6.563 7.320 1.00 0.00 C ATOM 576 O HIS A 39 -7.915 6.744 7.745 1.00 0.00 O ATOM 577 CB HIS A 39 -10.451 4.707 8.191 1.00 0.00 C ATOM 578 CG HIS A 39 -11.113 4.092 9.390 1.00 0.00 C ATOM 579 ND1 HIS A 39 -12.469 3.895 9.495 1.00 0.00 N ATOM 580 CD2 HIS A 39 -10.581 3.580 10.520 1.00 0.00 C ATOM 581 CE1 HIS A 39 -12.739 3.293 10.629 1.00 0.00 C ATOM 582 NE2 HIS A 39 -11.615 3.092 11.269 1.00 0.00 N ATOM 0 H HIS A 39 -12.174 6.526 7.828 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.832 6.437 9.303 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.086 4.535 7.322 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.513 4.183 8.010 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.534 3.560 10.783 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.722 3.011 10.976 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -11.525 2.643 12.181 1.00 0.00 H new ATOM 591 N CYS A 40 -9.368 6.730 6.034 1.00 0.00 N ATOM 592 CA CYS A 40 -8.331 6.947 5.016 1.00 0.00 C ATOM 593 C CYS A 40 -7.708 8.314 5.163 1.00 0.00 C ATOM 594 O CYS A 40 -6.576 8.541 4.766 1.00 0.00 O ATOM 595 CB CYS A 40 -8.877 6.814 3.612 1.00 0.00 C ATOM 596 SG CYS A 40 -9.877 8.214 3.100 1.00 0.00 S ATOM 0 H CYS A 40 -10.323 6.720 5.676 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.578 6.175 5.175 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.046 6.697 2.917 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -9.477 5.906 3.548 1.00 0.00 H new ATOM 0 HG CYS A 40 -10.809 7.808 2.289 1.00 0.00 H new ATOM 602 N LYS A 41 -8.452 9.225 5.727 1.00 0.00 N ATOM 603 CA LYS A 41 -7.961 10.568 5.944 1.00 0.00 C ATOM 604 C LYS A 41 -6.963 10.586 7.108 1.00 0.00 C ATOM 605 O LYS A 41 -6.105 11.458 7.206 1.00 0.00 O ATOM 606 CB LYS A 41 -9.131 11.534 6.131 1.00 0.00 C ATOM 607 CG LYS A 41 -10.053 11.565 4.904 1.00 0.00 C ATOM 608 CD LYS A 41 -11.168 12.584 5.022 1.00 0.00 C ATOM 609 CE LYS A 41 -12.205 12.158 6.037 1.00 0.00 C ATOM 610 NZ LYS A 41 -13.346 13.088 6.090 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.407 9.066 6.048 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.415 10.911 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.706 11.241 7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.747 12.536 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.460 11.786 4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.487 10.576 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.751 13.549 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.643 12.719 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.564 11.159 5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.743 12.096 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.031 12.757 6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.009 14.037 6.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.805 13.128 5.157 1.00 0.00 H new ATOM 624 N ALA A 42 -7.046 9.564 7.939 1.00 0.00 N ATOM 625 CA ALA A 42 -6.123 9.347 9.051 1.00 0.00 C ATOM 626 C ALA A 42 -5.003 8.432 8.570 1.00 0.00 C ATOM 627 O ALA A 42 -3.988 8.225 9.228 1.00 0.00 O ATOM 628 CB ALA A 42 -6.865 8.676 10.170 1.00 0.00 C ATOM 0 H ALA A 42 -7.767 8.846 7.864 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.711 10.294 9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.187 8.508 11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.689 9.312 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.258 7.720 9.824 1.00 0.00 H new ATOM 634 N LEU A 43 -5.217 7.905 7.403 1.00 0.00 N ATOM 635 CA LEU A 43 -4.284 7.009 6.740 1.00 0.00 C ATOM 636 C LEU A 43 -3.446 7.780 5.738 1.00 0.00 C ATOM 637 O LEU A 43 -2.473 7.304 5.201 1.00 0.00 O ATOM 638 CB LEU A 43 -5.008 5.900 6.011 1.00 0.00 C ATOM 639 CG LEU A 43 -5.764 4.846 6.849 1.00 0.00 C ATOM 640 CD1 LEU A 43 -6.444 3.818 5.958 1.00 0.00 C ATOM 641 CD2 LEU A 43 -4.846 4.148 7.826 1.00 0.00 C ATOM 0 H LEU A 43 -6.063 8.083 6.862 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.648 6.571 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.725 6.361 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.278 5.374 5.396 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.527 5.380 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.968 3.090 6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.158 4.319 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.694 3.308 5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.414 3.414 8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.048 3.645 7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.413 4.882 8.506 1.00 0.00 H new ATOM 653 N ALA A 44 -3.862 8.941 5.504 1.00 0.00 N ATOM 654 CA ALA A 44 -3.201 9.867 4.628 1.00 0.00 C ATOM 655 C ALA A 44 -1.796 10.257 5.131 1.00 0.00 C ATOM 656 O ALA A 44 -0.838 10.090 4.399 1.00 0.00 O ATOM 657 CB ALA A 44 -4.050 11.098 4.417 1.00 0.00 C ATOM 0 H ALA A 44 -4.712 9.318 5.924 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.067 9.360 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.532 11.787 3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.003 10.811 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.229 11.585 5.375 1.00 0.00 H new ATOM 663 N PRO A 45 -1.618 10.685 6.428 1.00 0.00 N ATOM 664 CA PRO A 45 -0.324 11.208 6.893 1.00 0.00 C ATOM 665 C PRO A 45 0.733 10.140 7.021 1.00 0.00 C ATOM 666 O PRO A 45 1.924 10.417 7.071 1.00 0.00 O ATOM 667 CB PRO A 45 -0.653 11.813 8.233 1.00 0.00 C ATOM 668 CG PRO A 45 -1.821 11.061 8.746 1.00 0.00 C ATOM 669 CD PRO A 45 -2.613 10.659 7.540 1.00 0.00 C ATOM 0 HA PRO A 45 0.103 11.919 6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.193 11.732 8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.884 12.874 8.136 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.504 10.187 9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.418 11.678 9.418 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.049 9.668 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.436 11.349 7.355 1.00 0.00 H new ATOM 677 N LYS A 46 0.293 8.928 7.038 1.00 0.00 N ATOM 678 CA LYS A 46 1.215 7.808 7.089 1.00 0.00 C ATOM 679 C LYS A 46 1.599 7.484 5.718 1.00 0.00 C ATOM 680 O LYS A 46 2.728 7.272 5.439 1.00 0.00 O ATOM 681 CB LYS A 46 0.596 6.571 7.775 1.00 0.00 C ATOM 682 CG LYS A 46 -0.666 6.095 7.087 1.00 0.00 C ATOM 683 CD LYS A 46 -1.501 5.101 7.844 1.00 0.00 C ATOM 684 CE LYS A 46 -1.094 3.668 7.622 1.00 0.00 C ATOM 685 NZ LYS A 46 -1.376 3.232 6.219 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.694 8.671 7.018 1.00 0.00 H new ATOM 0 HA LYS A 46 2.083 8.090 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.327 5.762 7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.371 6.811 8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.285 6.965 6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.388 5.651 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.439 5.325 8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.545 5.221 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.031 3.553 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.629 3.024 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.378 2.193 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.305 3.594 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.641 3.605 5.585 1.00 0.00 H new ATOM 699 N TYR A 47 0.663 7.573 4.848 1.00 0.00 N ATOM 700 CA TYR A 47 0.860 7.114 3.544 1.00 0.00 C ATOM 701 C TYR A 47 1.576 8.117 2.696 1.00 0.00 C ATOM 702 O TYR A 47 2.288 7.757 1.774 1.00 0.00 O ATOM 703 CB TYR A 47 -0.438 6.644 2.970 1.00 0.00 C ATOM 704 CG TYR A 47 -0.398 5.199 2.628 1.00 0.00 C ATOM 705 CD1 TYR A 47 -0.004 4.271 3.557 1.00 0.00 C ATOM 706 CD2 TYR A 47 -0.760 4.766 1.397 1.00 0.00 C ATOM 707 CE1 TYR A 47 0.027 2.936 3.259 1.00 0.00 C ATOM 708 CE2 TYR A 47 -0.738 3.442 1.066 1.00 0.00 C ATOM 709 CZ TYR A 47 -0.341 2.515 2.006 1.00 0.00 C ATOM 710 OH TYR A 47 -0.326 1.174 1.699 1.00 0.00 O ATOM 0 H TYR A 47 -0.259 7.968 5.030 1.00 0.00 H new ATOM 0 HA TYR A 47 1.527 6.253 3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.239 6.826 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.671 7.223 2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.288 4.600 4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.074 5.488 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.339 2.219 4.004 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.029 3.123 0.076 1.00 0.00 H new ATOM 0 HH TYR A 47 0.069 1.046 0.811 1.00 0.00 H new ATOM 720 N GLU A 48 1.438 9.364 3.041 1.00 0.00 N ATOM 721 CA GLU A 48 2.152 10.389 2.357 1.00 0.00 C ATOM 722 C GLU A 48 3.602 10.444 2.807 1.00 0.00 C ATOM 723 O GLU A 48 4.455 10.671 2.024 1.00 0.00 O ATOM 724 CB GLU A 48 1.467 11.741 2.476 1.00 0.00 C ATOM 725 CG GLU A 48 0.070 11.746 1.855 1.00 0.00 C ATOM 726 CD GLU A 48 -0.667 13.049 2.010 1.00 0.00 C ATOM 727 OE1 GLU A 48 -0.477 13.948 1.172 1.00 0.00 O ATOM 728 OE2 GLU A 48 -1.484 13.182 2.935 1.00 0.00 O1- ATOM 0 H GLU A 48 0.834 9.691 3.795 1.00 0.00 H new ATOM 0 HA GLU A 48 2.149 10.134 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.394 12.017 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.080 12.499 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.155 11.513 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.521 10.951 2.309 1.00 0.00 H new ATOM 735 N GLU A 49 3.866 10.143 4.049 1.00 0.00 N ATOM 736 CA GLU A 49 5.220 10.194 4.567 1.00 0.00 C ATOM 737 C GLU A 49 5.933 8.921 4.238 1.00 0.00 C ATOM 738 O GLU A 49 7.031 8.939 3.681 1.00 0.00 O ATOM 739 CB GLU A 49 5.239 10.432 6.071 1.00 0.00 C ATOM 740 CG GLU A 49 4.742 11.798 6.480 1.00 0.00 C ATOM 741 CD GLU A 49 5.541 12.901 5.852 1.00 0.00 C ATOM 742 OE1 GLU A 49 6.702 13.105 6.249 1.00 0.00 O ATOM 743 OE2 GLU A 49 5.026 13.589 4.954 1.00 0.00 O1- ATOM 0 H GLU A 49 3.162 9.858 4.730 1.00 0.00 H new ATOM 0 HA GLU A 49 5.731 11.033 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.626 9.673 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.258 10.302 6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.695 11.902 6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.788 11.890 7.565 1.00 0.00 H new ATOM 750 N LEU A 50 5.265 7.806 4.510 1.00 0.00 N ATOM 751 CA LEU A 50 5.811 6.504 4.268 1.00 0.00 C ATOM 752 C LEU A 50 5.994 6.354 2.818 1.00 0.00 C ATOM 753 O LEU A 50 7.022 5.962 2.348 1.00 0.00 O ATOM 754 CB LEU A 50 4.798 5.480 4.683 1.00 0.00 C ATOM 755 CG LEU A 50 5.185 4.021 4.542 1.00 0.00 C ATOM 756 CD1 LEU A 50 5.894 3.507 5.776 1.00 0.00 C ATOM 757 CD2 LEU A 50 3.987 3.198 4.201 1.00 0.00 C ATOM 0 H LEU A 50 4.325 7.795 4.906 1.00 0.00 H new ATOM 0 HA LEU A 50 6.748 6.380 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.543 5.662 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.892 5.646 4.100 1.00 0.00 H new ATOM 0 HG LEU A 50 5.896 3.935 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.155 2.458 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.802 4.087 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.237 3.605 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.280 2.153 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.243 3.294 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.563 3.546 3.259 1.00 0.00 H new ATOM 769 N GLY A 51 4.984 6.732 2.118 1.00 0.00 N ATOM 770 CA GLY A 51 4.984 6.543 0.712 1.00 0.00 C ATOM 771 C GLY A 51 5.790 7.516 -0.047 1.00 0.00 C ATOM 772 O GLY A 51 6.147 7.258 -1.170 1.00 0.00 O ATOM 0 H GLY A 51 4.146 7.174 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.353 5.541 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.955 6.588 0.354 1.00 0.00 H new ATOM 776 N ALA A 52 6.072 8.642 0.527 1.00 0.00 N ATOM 777 CA ALA A 52 6.971 9.542 -0.111 1.00 0.00 C ATOM 778 C ALA A 52 8.321 8.952 -0.010 1.00 0.00 C ATOM 779 O ALA A 52 8.984 8.684 -1.006 1.00 0.00 O ATOM 780 CB ALA A 52 6.925 10.895 0.554 1.00 0.00 C ATOM 0 H ALA A 52 5.698 8.955 1.423 1.00 0.00 H new ATOM 0 HA ALA A 52 6.696 9.689 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.619 11.570 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.915 11.298 0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.209 10.795 1.602 1.00 0.00 H new ATOM 786 N LEU A 53 8.649 8.583 1.176 1.00 0.00 N ATOM 787 CA LEU A 53 9.975 8.121 1.441 1.00 0.00 C ATOM 788 C LEU A 53 10.203 6.772 0.776 1.00 0.00 C ATOM 789 O LEU A 53 11.186 6.558 0.079 1.00 0.00 O ATOM 790 CB LEU A 53 10.213 8.121 2.950 1.00 0.00 C ATOM 791 CG LEU A 53 9.869 6.892 3.793 1.00 0.00 C ATOM 792 CD1 LEU A 53 11.032 5.896 3.793 1.00 0.00 C ATOM 793 CD2 LEU A 53 9.528 7.300 5.219 1.00 0.00 C ATOM 0 H LEU A 53 8.023 8.590 1.981 1.00 0.00 H new ATOM 0 HA LEU A 53 10.716 8.792 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.270 8.333 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.654 8.961 3.363 1.00 0.00 H new ATOM 0 HG LEU A 53 8.997 6.409 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.768 5.029 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.238 5.577 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.919 6.373 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.286 6.412 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.383 7.807 5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.671 7.973 5.210 1.00 0.00 H new ATOM 805 N TYR A 54 9.260 5.914 0.915 1.00 0.00 N ATOM 806 CA TYR A 54 9.391 4.587 0.346 1.00 0.00 C ATOM 807 C TYR A 54 9.213 4.549 -1.146 1.00 0.00 C ATOM 808 O TYR A 54 9.761 3.708 -1.781 1.00 0.00 O ATOM 809 CB TYR A 54 8.513 3.553 1.018 1.00 0.00 C ATOM 810 CG TYR A 54 9.067 3.025 2.327 1.00 0.00 C ATOM 811 CD1 TYR A 54 10.031 2.030 2.344 1.00 0.00 C ATOM 812 CD2 TYR A 54 8.635 3.521 3.534 1.00 0.00 C ATOM 813 CE1 TYR A 54 10.548 1.549 3.532 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.142 3.050 4.725 1.00 0.00 C ATOM 815 CZ TYR A 54 10.094 2.066 4.721 1.00 0.00 C ATOM 816 OH TYR A 54 10.609 1.619 5.916 1.00 0.00 O ATOM 0 H TYR A 54 8.386 6.087 1.412 1.00 0.00 H new ATOM 0 HA TYR A 54 10.426 4.315 0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.531 3.990 1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.367 2.717 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.386 1.622 1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.883 4.296 3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.301 0.775 3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.789 3.457 5.661 1.00 0.00 H new ATOM 0 HH TYR A 54 10.873 2.386 6.466 1.00 0.00 H new ATOM 826 N ALA A 55 8.464 5.459 -1.698 1.00 0.00 N ATOM 827 CA ALA A 55 8.256 5.455 -3.148 1.00 0.00 C ATOM 828 C ALA A 55 8.996 6.598 -3.866 1.00 0.00 C ATOM 829 O ALA A 55 8.705 6.890 -5.032 1.00 0.00 O ATOM 830 CB ALA A 55 6.770 5.445 -3.501 1.00 0.00 C ATOM 0 H ALA A 55 7.988 6.207 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 55 8.696 4.528 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.653 5.442 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.303 4.553 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.292 6.333 -3.087 1.00 0.00 H new ATOM 836 N LYS A 56 9.960 7.222 -3.193 1.00 0.00 N ATOM 837 CA LYS A 56 10.778 8.283 -3.804 1.00 0.00 C ATOM 838 C LYS A 56 12.259 8.118 -3.442 1.00 0.00 C ATOM 839 O LYS A 56 13.133 8.434 -4.248 1.00 0.00 O ATOM 840 CB LYS A 56 10.286 9.682 -3.386 1.00 0.00 C ATOM 841 CG LYS A 56 9.922 10.626 -4.549 1.00 0.00 C ATOM 842 CD LYS A 56 8.864 10.036 -5.492 1.00 0.00 C ATOM 843 CE LYS A 56 7.532 9.762 -4.795 1.00 0.00 C ATOM 844 NZ LYS A 56 6.613 9.001 -5.674 1.00 0.00 N1+ ATOM 0 H LYS A 56 10.199 7.016 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 56 10.671 8.189 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.411 9.565 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.060 10.156 -2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.554 11.568 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.822 10.855 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.700 10.724 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.243 9.107 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.708 9.202 -3.877 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.067 10.706 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.711 8.844 -5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.441 9.540 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.041 8.084 -5.912 1.00 0.00 H new ATOM 858 N SER A 57 12.541 7.614 -2.246 1.00 0.00 N ATOM 859 CA SER A 57 13.920 7.415 -1.810 1.00 0.00 C ATOM 860 C SER A 57 14.444 6.060 -2.330 1.00 0.00 C ATOM 861 O SER A 57 13.819 5.448 -3.176 1.00 0.00 O ATOM 862 CB SER A 57 14.005 7.507 -0.285 1.00 0.00 C ATOM 863 OG SER A 57 13.455 8.737 0.168 1.00 0.00 O ATOM 0 H SER A 57 11.837 7.336 -1.562 1.00 0.00 H new ATOM 0 HA SER A 57 14.552 8.200 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.468 6.673 0.167 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.044 7.427 0.033 1.00 0.00 H new ATOM 0 HG SER A 57 13.514 8.782 1.145 1.00 0.00 H new ATOM 869 N GLU A 58 15.541 5.567 -1.784 1.00 0.00 N ATOM 870 CA GLU A 58 16.222 4.365 -2.316 1.00 0.00 C ATOM 871 C GLU A 58 15.535 3.049 -1.932 1.00 0.00 C ATOM 872 O GLU A 58 16.174 1.994 -1.848 1.00 0.00 O ATOM 873 CB GLU A 58 17.656 4.370 -1.854 1.00 0.00 C ATOM 874 CG GLU A 58 18.342 5.671 -2.164 1.00 0.00 C ATOM 875 CD GLU A 58 18.414 5.993 -3.639 1.00 0.00 C ATOM 876 OE1 GLU A 58 19.376 5.573 -4.301 1.00 0.00 O ATOM 877 OE2 GLU A 58 17.521 6.707 -4.158 1.00 0.00 O1- ATOM 0 H GLU A 58 15.994 5.973 -0.966 1.00 0.00 H new ATOM 0 HA GLU A 58 16.170 4.416 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.692 4.188 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.194 3.553 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.817 6.477 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.354 5.642 -1.759 1.00 0.00 H new ATOM 884 N PHE A 59 14.251 3.111 -1.726 1.00 0.00 N ATOM 885 CA PHE A 59 13.465 1.926 -1.442 1.00 0.00 C ATOM 886 C PHE A 59 12.300 1.881 -2.389 1.00 0.00 C ATOM 887 O PHE A 59 11.485 0.973 -2.317 1.00 0.00 O ATOM 888 CB PHE A 59 12.878 1.949 -0.054 1.00 0.00 C ATOM 889 CG PHE A 59 13.801 2.474 1.004 1.00 0.00 C ATOM 890 CD1 PHE A 59 14.792 1.671 1.525 1.00 0.00 C ATOM 891 CD2 PHE A 59 13.678 3.777 1.464 1.00 0.00 C ATOM 892 CE1 PHE A 59 15.652 2.153 2.489 1.00 0.00 C ATOM 893 CE2 PHE A 59 14.531 4.265 2.429 1.00 0.00 C ATOM 894 CZ PHE A 59 15.522 3.450 2.942 1.00 0.00 C ATOM 0 H PHE A 59 13.713 3.977 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 59 14.131 1.069 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 59 11.975 2.559 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.576 0.937 0.215 1.00 0.00 H new ATOM 0 HD1 PHE A 59 14.896 0.655 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.905 4.415 1.061 1.00 0.00 H new ATOM 0 HE1 PHE A 59 16.427 1.516 2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.426 5.280 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 59 16.195 3.828 3.697 1.00 0.00 H new ATOM 904 N LYS A 60 12.247 2.834 -3.307 1.00 0.00 N ATOM 905 CA LYS A 60 11.109 2.975 -4.223 1.00 0.00 C ATOM 906 C LYS A 60 11.110 1.879 -5.262 1.00 0.00 C ATOM 907 O LYS A 60 10.145 1.690 -6.010 1.00 0.00 O ATOM 908 CB LYS A 60 11.130 4.347 -4.890 1.00 0.00 C ATOM 909 CG LYS A 60 12.371 4.589 -5.679 1.00 0.00 C ATOM 910 CD LYS A 60 12.355 5.877 -6.446 1.00 0.00 C ATOM 911 CE LYS A 60 13.679 6.074 -7.159 1.00 0.00 C ATOM 912 NZ LYS A 60 13.971 4.999 -8.143 1.00 0.00 N1+ ATOM 0 H LYS A 60 12.981 3.529 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 60 10.192 2.885 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.264 4.440 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.035 5.118 -4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.226 4.589 -5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.515 3.763 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.541 5.868 -7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.170 6.711 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.671 7.036 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.481 6.112 -6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.681 5.336 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.338 4.163 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.098 4.745 -8.649 1.00 0.00 H new ATOM 926 N ASP A 61 12.207 1.189 -5.329 1.00 0.00 N ATOM 927 CA ASP A 61 12.358 0.079 -6.219 1.00 0.00 C ATOM 928 C ASP A 61 12.398 -1.185 -5.388 1.00 0.00 C ATOM 929 O ASP A 61 12.638 -2.284 -5.906 1.00 0.00 O ATOM 930 CB ASP A 61 13.656 0.196 -7.044 1.00 0.00 C ATOM 931 CG ASP A 61 13.757 1.467 -7.871 1.00 0.00 C ATOM 932 OD1 ASP A 61 13.209 1.519 -8.982 1.00 0.00 O1- ATOM 933 OD2 ASP A 61 14.422 2.437 -7.429 1.00 0.00 O ATOM 0 H ASP A 61 13.032 1.383 -4.761 1.00 0.00 H new ATOM 0 HA ASP A 61 11.521 0.061 -6.917 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.509 0.148 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.729 -0.664 -7.710 1.00 0.00 H new ATOM 938 N ARG A 62 12.174 -1.034 -4.082 1.00 0.00 N ATOM 939 CA ARG A 62 12.230 -2.150 -3.174 1.00 0.00 C ATOM 940 C ARG A 62 10.833 -2.520 -2.763 1.00 0.00 C ATOM 941 O ARG A 62 10.423 -3.679 -2.793 1.00 0.00 O ATOM 942 CB ARG A 62 13.042 -1.734 -1.968 1.00 0.00 C ATOM 943 CG ARG A 62 13.473 -2.860 -1.090 1.00 0.00 C ATOM 944 CD ARG A 62 14.321 -2.362 0.069 1.00 0.00 C ATOM 945 NE ARG A 62 15.456 -1.559 -0.405 1.00 0.00 N ATOM 946 CZ ARG A 62 16.573 -1.294 0.274 1.00 0.00 C ATOM 947 NH1 ARG A 62 16.792 -1.853 1.467 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 17.478 -0.482 -0.260 1.00 0.00 N ATOM 0 H ARG A 62 11.952 -0.141 -3.641 1.00 0.00 H new ATOM 0 HA ARG A 62 12.694 -3.015 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.927 -1.198 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.454 -1.033 -1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.596 -3.380 -0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.041 -3.583 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.706 -1.764 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.689 -3.212 0.644 1.00 0.00 H new ATOM 0 HE ARG A 62 15.383 -1.166 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.102 -2.489 1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.649 -1.644 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.314 -0.070 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.337 -0.271 0.248 1.00 0.00 H new ATOM 962 N VAL A 63 10.151 -1.530 -2.371 1.00 0.00 N ATOM 963 CA VAL A 63 8.802 -1.569 -1.969 1.00 0.00 C ATOM 964 C VAL A 63 8.076 -0.353 -2.525 1.00 0.00 C ATOM 965 O VAL A 63 8.595 0.752 -2.515 1.00 0.00 O ATOM 966 CB VAL A 63 8.714 -1.606 -0.423 1.00 0.00 C ATOM 967 CG1 VAL A 63 9.573 -0.544 0.194 1.00 0.00 C ATOM 968 CG2 VAL A 63 7.286 -1.501 0.091 1.00 0.00 C ATOM 0 H VAL A 63 10.547 -0.592 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 63 8.327 -2.469 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 63 9.090 -2.583 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.491 -0.595 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.611 -0.700 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.243 0.436 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.288 -1.532 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.847 -0.561 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.698 -2.334 -0.295 1.00 0.00 H new ATOM 978 N VAL A 64 6.920 -0.570 -3.044 1.00 0.00 N ATOM 979 CA VAL A 64 6.118 0.496 -3.551 1.00 0.00 C ATOM 980 C VAL A 64 4.908 0.626 -2.670 1.00 0.00 C ATOM 981 O VAL A 64 4.235 -0.365 -2.369 1.00 0.00 O ATOM 982 CB VAL A 64 5.702 0.269 -5.041 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.704 1.330 -5.507 1.00 0.00 C ATOM 984 CG2 VAL A 64 6.932 0.314 -5.935 1.00 0.00 C ATOM 0 H VAL A 64 6.498 -1.495 -3.131 1.00 0.00 H new ATOM 0 HA VAL A 64 6.701 1.417 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 64 5.227 -0.709 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.435 1.144 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.809 1.285 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.156 2.318 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.634 0.155 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.415 1.287 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.629 -0.468 -5.634 1.00 0.00 H new ATOM 994 N ILE A 65 4.667 1.807 -2.191 1.00 0.00 N ATOM 995 CA ILE A 65 3.528 2.045 -1.402 1.00 0.00 C ATOM 996 C ILE A 65 2.427 2.462 -2.369 1.00 0.00 C ATOM 997 O ILE A 65 2.616 3.408 -3.154 1.00 0.00 O ATOM 998 CB ILE A 65 3.825 3.166 -0.366 1.00 0.00 C ATOM 999 CG1 ILE A 65 5.145 2.880 0.383 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.694 3.299 0.632 1.00 0.00 C ATOM 1001 CD1 ILE A 65 5.185 1.559 1.138 1.00 0.00 C ATOM 0 H ILE A 65 5.261 2.622 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 65 3.230 1.163 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 65 3.920 4.104 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.964 2.894 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.327 3.690 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.928 4.090 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.772 3.546 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.566 2.357 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.151 1.450 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.393 1.544 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.039 0.736 0.439 1.00 0.00 H new ATOM 1013 N ALA A 66 1.343 1.727 -2.385 1.00 0.00 N ATOM 1014 CA ALA A 66 0.250 1.988 -3.292 1.00 0.00 C ATOM 1015 C ALA A 66 -1.094 2.036 -2.560 1.00 0.00 C ATOM 1016 O ALA A 66 -1.230 1.543 -1.445 1.00 0.00 O ATOM 1017 CB ALA A 66 0.219 0.918 -4.370 1.00 0.00 C ATOM 0 H ALA A 66 1.192 0.929 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 66 0.412 2.966 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.606 1.115 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.159 0.930 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.082 -0.060 -3.908 1.00 0.00 H new ATOM 1023 N LYS A 67 -2.080 2.625 -3.190 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.403 2.693 -2.624 1.00 0.00 C ATOM 1025 C LYS A 67 -4.427 2.766 -3.728 1.00 0.00 C ATOM 1026 O LYS A 67 -4.159 3.352 -4.772 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.539 3.855 -1.614 1.00 0.00 C ATOM 1028 CG LYS A 67 -3.347 5.273 -2.151 1.00 0.00 C ATOM 1029 CD LYS A 67 -3.246 6.271 -0.989 1.00 0.00 C ATOM 1030 CE LYS A 67 -4.484 6.273 -0.093 1.00 0.00 C ATOM 1031 NZ LYS A 67 -4.233 6.898 1.222 1.00 0.00 N1+ ATOM 0 H LYS A 67 -1.989 3.068 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.586 1.782 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.529 3.796 -1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.814 3.695 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.444 5.320 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.182 5.541 -2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.369 6.032 -0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.093 7.273 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.291 6.806 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.822 5.247 0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.296 6.176 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.283 7.321 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.943 7.638 1.396 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.573 2.158 -3.511 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.618 2.095 -4.519 1.00 0.00 C ATOM 1047 C VAL A 68 -7.939 2.535 -3.915 1.00 0.00 C ATOM 1048 O VAL A 68 -8.243 2.225 -2.749 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.763 0.651 -5.159 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.080 -0.386 -4.108 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -7.850 0.629 -6.229 1.00 0.00 C ATOM 0 H VAL A 68 -5.810 1.693 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.334 2.771 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.804 0.410 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.173 -1.365 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.278 -0.413 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.018 -0.130 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.926 -0.374 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.805 0.909 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.597 1.336 -7.019 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.691 3.282 -4.670 1.00 0.00 N ATOM 1062 CA ASP A 69 -9.996 3.725 -4.243 1.00 0.00 C ATOM 1063 C ASP A 69 -10.937 2.580 -4.527 1.00 0.00 C ATOM 1064 O ASP A 69 -11.335 2.367 -5.666 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.424 4.987 -5.011 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.713 5.605 -4.518 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.699 4.885 -4.356 1.00 0.00 O1- ATOM 1068 OD2 ASP A 69 -11.749 6.841 -4.301 1.00 0.00 O ATOM 0 H ASP A 69 -8.421 3.604 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.999 3.989 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.628 5.729 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.534 4.737 -6.066 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.265 1.854 -3.492 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.008 0.598 -3.567 1.00 0.00 C ATOM 1075 C ALA A 70 -13.483 0.815 -3.814 1.00 0.00 C ATOM 1076 O ALA A 70 -14.242 -0.133 -4.055 1.00 0.00 O ATOM 1077 CB ALA A 70 -11.829 -0.147 -2.265 1.00 0.00 C ATOM 0 H ALA A 70 -11.021 2.118 -2.538 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.616 0.026 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.378 -1.088 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.770 -0.352 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.209 0.460 -1.443 1.00 0.00 H new ATOM 1083 N THR A 71 -13.896 2.032 -3.740 1.00 0.00 N ATOM 1084 CA THR A 71 -15.283 2.335 -3.901 1.00 0.00 C ATOM 1085 C THR A 71 -15.542 2.975 -5.264 1.00 0.00 C ATOM 1086 O THR A 71 -16.667 2.962 -5.768 1.00 0.00 O ATOM 1087 CB THR A 71 -15.810 3.187 -2.715 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.214 3.464 -2.833 1.00 0.00 O ATOM 1089 CG2 THR A 71 -15.036 4.465 -2.577 1.00 0.00 C ATOM 0 H THR A 71 -13.295 2.838 -3.569 1.00 0.00 H new ATOM 0 HA THR A 71 -15.851 1.405 -3.882 1.00 0.00 H new ATOM 0 HB THR A 71 -15.663 2.594 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.507 4.001 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.429 5.039 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.985 4.237 -2.400 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.131 5.049 -3.493 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.502 3.504 -5.869 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.602 4.045 -7.187 1.00 0.00 C ATOM 1099 C ALA A 72 -14.224 2.961 -8.123 1.00 0.00 C ATOM 1100 O ALA A 72 -14.875 2.714 -9.140 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.658 5.227 -7.359 1.00 0.00 C ATOM 0 H ALA A 72 -13.572 3.567 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.614 4.403 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.751 5.623 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.914 6.005 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.632 4.901 -7.190 1.00 0.00 H new ATOM 1107 N ASN A 73 -13.195 2.277 -7.747 1.00 0.00 N ATOM 1108 CA ASN A 73 -12.660 1.226 -8.511 1.00 0.00 C ATOM 1109 C ASN A 73 -12.885 -0.048 -7.748 1.00 0.00 C ATOM 1110 O ASN A 73 -12.215 -0.303 -6.746 1.00 0.00 O ATOM 1111 CB ASN A 73 -11.161 1.437 -8.732 1.00 0.00 C ATOM 1112 CG ASN A 73 -10.798 2.803 -9.276 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -10.763 3.014 -10.478 1.00 0.00 O ATOM 1114 ND2 ASN A 73 -10.483 3.716 -8.398 1.00 0.00 N ATOM 0 H ASN A 73 -12.697 2.447 -6.873 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.143 1.185 -9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.641 1.286 -7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.796 0.676 -9.421 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.195 4.644 -8.708 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.525 3.501 -7.402 1.00 0.00 H new ATOM 1121 N ASP A 74 -13.864 -0.805 -8.166 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.197 -2.051 -7.500 1.00 0.00 C ATOM 1123 C ASP A 74 -13.084 -3.053 -7.697 1.00 0.00 C ATOM 1124 O ASP A 74 -12.533 -3.182 -8.794 1.00 0.00 O ATOM 1125 CB ASP A 74 -15.550 -2.628 -7.977 1.00 0.00 C ATOM 1126 CG ASP A 74 -15.589 -3.004 -9.444 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -15.851 -2.118 -10.289 1.00 0.00 O1- ATOM 1128 OD2 ASP A 74 -15.389 -4.199 -9.784 1.00 0.00 O ATOM 0 H ASP A 74 -14.453 -0.585 -8.969 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.305 -1.840 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -15.784 -3.511 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.333 -1.895 -7.782 1.00 0.00 H new ATOM 1133 N VAL A 75 -12.722 -3.720 -6.631 1.00 0.00 N ATOM 1134 CA VAL A 75 -11.643 -4.671 -6.669 1.00 0.00 C ATOM 1135 C VAL A 75 -12.175 -6.085 -6.434 1.00 0.00 C ATOM 1136 O VAL A 75 -13.093 -6.281 -5.630 1.00 0.00 O ATOM 1137 CB VAL A 75 -10.493 -4.326 -5.659 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -9.909 -2.947 -5.945 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -10.947 -4.414 -4.204 1.00 0.00 C ATOM 0 H VAL A 75 -13.165 -3.620 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.202 -4.618 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.717 -5.078 -5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.114 -2.733 -5.230 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.503 -2.926 -6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.692 -2.194 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.113 -4.166 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.764 -3.712 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.289 -5.427 -3.990 1.00 0.00 H new ATOM 1149 N PRO A 76 -11.604 -7.084 -7.119 1.00 0.00 N ATOM 1150 CA PRO A 76 -12.078 -8.482 -7.061 1.00 0.00 C ATOM 1151 C PRO A 76 -11.643 -9.229 -5.797 1.00 0.00 C ATOM 1152 O PRO A 76 -12.083 -10.363 -5.549 1.00 0.00 O ATOM 1153 CB PRO A 76 -11.410 -9.104 -8.283 1.00 0.00 C ATOM 1154 CG PRO A 76 -10.132 -8.359 -8.404 1.00 0.00 C ATOM 1155 CD PRO A 76 -10.452 -6.941 -8.043 1.00 0.00 C ATOM 0 HA PRO A 76 -13.167 -8.535 -7.045 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.239 -10.172 -8.146 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.025 -8.992 -9.176 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.374 -8.771 -7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.735 -8.425 -9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.608 -6.447 -7.562 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.710 -6.349 -8.921 1.00 0.00 H new ATOM 1163 N ASP A 77 -10.778 -8.617 -5.021 1.00 0.00 N ATOM 1164 CA ASP A 77 -10.284 -9.250 -3.802 1.00 0.00 C ATOM 1165 C ASP A 77 -11.287 -9.015 -2.670 1.00 0.00 C ATOM 1166 O ASP A 77 -12.261 -8.249 -2.843 1.00 0.00 O ATOM 1167 CB ASP A 77 -8.910 -8.700 -3.411 1.00 0.00 C ATOM 1168 CG ASP A 77 -8.104 -9.699 -2.593 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -8.326 -9.842 -1.379 1.00 0.00 O ATOM 1170 OD2 ASP A 77 -7.241 -10.358 -3.162 1.00 0.00 O1- ATOM 0 H ASP A 77 -10.399 -7.688 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.175 -10.319 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.355 -8.439 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.037 -7.782 -2.838 1.00 0.00 H new ATOM 1175 N GLU A 78 -11.051 -9.618 -1.534 1.00 0.00 N ATOM 1176 CA GLU A 78 -11.941 -9.523 -0.421 1.00 0.00 C ATOM 1177 C GLU A 78 -11.401 -8.514 0.580 1.00 0.00 C ATOM 1178 O GLU A 78 -10.189 -8.439 0.832 1.00 0.00 O ATOM 1179 CB GLU A 78 -12.126 -10.896 0.234 1.00 0.00 C ATOM 1180 CG GLU A 78 -13.106 -10.909 1.397 1.00 0.00 C ATOM 1181 CD GLU A 78 -14.493 -10.450 0.992 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -15.277 -11.266 0.456 1.00 0.00 O1- ATOM 1183 OE2 GLU A 78 -14.815 -9.260 1.164 1.00 0.00 O ATOM 0 H GLU A 78 -10.226 -10.193 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.916 -9.183 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.468 -11.603 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.157 -11.251 0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.166 -11.917 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.731 -10.264 2.191 1.00 0.00 H new ATOM 1190 N ILE A 79 -12.287 -7.746 1.125 1.00 0.00 N ATOM 1191 CA ILE A 79 -11.966 -6.728 2.078 1.00 0.00 C ATOM 1192 C ILE A 79 -12.771 -6.994 3.349 1.00 0.00 C ATOM 1193 O ILE A 79 -13.997 -6.985 3.320 1.00 0.00 O ATOM 1194 CB ILE A 79 -12.281 -5.328 1.473 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -11.336 -5.050 0.290 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -12.201 -4.224 2.510 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -11.536 -3.712 -0.371 1.00 0.00 C ATOM 0 H ILE A 79 -13.283 -7.809 0.915 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.905 -6.743 2.326 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.310 -5.339 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.306 -5.117 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.470 -5.833 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.428 -3.267 2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.921 -4.419 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.196 -4.192 2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -10.828 -3.603 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -12.553 -3.645 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.372 -2.918 0.358 1.00 0.00 H new ATOM 1209 N GLN A 80 -12.082 -7.262 4.456 1.00 0.00 N ATOM 1210 CA GLN A 80 -12.758 -7.646 5.708 1.00 0.00 C ATOM 1211 C GLN A 80 -13.433 -6.457 6.410 1.00 0.00 C ATOM 1212 O GLN A 80 -14.175 -6.631 7.380 1.00 0.00 O ATOM 1213 CB GLN A 80 -11.835 -8.444 6.677 1.00 0.00 C ATOM 1214 CG GLN A 80 -10.669 -7.676 7.307 1.00 0.00 C ATOM 1215 CD GLN A 80 -9.619 -7.207 6.322 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -9.375 -7.841 5.281 1.00 0.00 O ATOM 1217 NE2 GLN A 80 -9.003 -6.105 6.628 1.00 0.00 N ATOM 0 H GLN A 80 -11.065 -7.223 4.519 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.556 -8.326 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.452 -8.845 7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -11.427 -9.296 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -11.065 -6.809 7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.191 -8.313 8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.233 -5.615 7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.289 -5.730 6.004 1.00 0.00 H new ATOM 1226 N GLY A 81 -13.163 -5.280 5.928 1.00 0.00 N ATOM 1227 CA GLY A 81 -13.826 -4.088 6.400 1.00 0.00 C ATOM 1228 C GLY A 81 -14.353 -3.359 5.204 1.00 0.00 C ATOM 1229 O GLY A 81 -14.847 -4.000 4.273 1.00 0.00 O ATOM 0 H GLY A 81 -12.475 -5.113 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.638 -4.345 7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.132 -3.459 6.957 1.00 0.00 H new ATOM 1233 N PHE A 82 -14.262 -2.059 5.188 1.00 0.00 N ATOM 1234 CA PHE A 82 -14.545 -1.341 3.976 1.00 0.00 C ATOM 1235 C PHE A 82 -13.191 -0.989 3.342 1.00 0.00 C ATOM 1236 O PHE A 82 -12.994 -1.229 2.144 1.00 0.00 O ATOM 1237 CB PHE A 82 -15.467 -0.107 4.169 1.00 0.00 C ATOM 1238 CG PHE A 82 -15.967 0.499 2.868 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -15.088 1.088 1.967 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -17.317 0.488 2.562 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -15.542 1.646 0.794 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -17.780 1.046 1.385 1.00 0.00 C ATOM 1243 CZ PHE A 82 -16.890 1.624 0.501 1.00 0.00 C ATOM 0 H PHE A 82 -13.998 -1.482 5.986 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.129 -1.973 3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.324 -0.398 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.925 0.655 4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.032 1.108 2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.017 0.038 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -14.845 2.100 0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -18.836 1.030 1.157 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.249 2.059 -0.420 1.00 0.00 H new ATOM 1253 N PRO A 83 -12.226 -0.387 4.102 1.00 0.00 N ATOM 1254 CA PRO A 83 -10.878 -0.281 3.636 1.00 0.00 C ATOM 1255 C PRO A 83 -10.062 -1.459 4.119 1.00 0.00 C ATOM 1256 O PRO A 83 -10.523 -2.242 4.969 1.00 0.00 O ATOM 1257 CB PRO A 83 -10.360 1.003 4.271 1.00 0.00 C ATOM 1258 CG PRO A 83 -11.491 1.530 5.097 1.00 0.00 C ATOM 1259 CD PRO A 83 -12.350 0.333 5.376 1.00 0.00 C ATOM 0 HA PRO A 83 -10.814 -0.271 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.482 0.809 4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.062 1.724 3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.130 1.982 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.047 2.300 4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.985 -0.252 6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.381 0.606 5.600 1.00 0.00 H new ATOM 1267 N THR A 84 -8.867 -1.575 3.617 1.00 0.00 N ATOM 1268 CA THR A 84 -7.997 -2.705 3.927 1.00 0.00 C ATOM 1269 C THR A 84 -6.590 -2.435 3.418 1.00 0.00 C ATOM 1270 O THR A 84 -6.418 -1.748 2.447 1.00 0.00 O ATOM 1271 CB THR A 84 -8.589 -4.053 3.315 1.00 0.00 C ATOM 1272 OG1 THR A 84 -9.665 -4.537 4.117 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.567 -5.165 3.137 1.00 0.00 C ATOM 0 H THR A 84 -8.455 -0.895 2.978 1.00 0.00 H new ATOM 0 HA THR A 84 -7.948 -2.829 5.009 1.00 0.00 H new ATOM 0 HB THR A 84 -8.937 -3.782 2.318 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.875 -3.880 4.813 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.055 -6.044 2.716 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.779 -4.830 2.463 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.134 -5.419 4.104 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.616 -2.920 4.107 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.254 -2.836 3.667 1.00 0.00 C ATOM 1283 C ILE A 85 -3.816 -4.240 3.308 1.00 0.00 C ATOM 1284 O ILE A 85 -4.235 -5.162 3.923 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.332 -2.221 4.768 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -3.727 -0.757 5.018 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -1.838 -2.344 4.417 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -2.854 -0.044 6.018 1.00 0.00 C ATOM 0 H ILE A 85 -5.737 -3.393 5.003 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.175 -2.176 2.803 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.479 -2.792 5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.693 -0.217 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.759 -0.725 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.240 -1.902 5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.575 -3.396 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.640 -1.821 3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.200 0.983 6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.906 -0.558 6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.823 -0.041 5.664 1.00 0.00 H new ATOM 1300 N LYS A 86 -3.081 -4.399 2.280 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.575 -5.696 1.907 1.00 0.00 C ATOM 1302 C LYS A 86 -1.162 -5.537 1.429 1.00 0.00 C ATOM 1303 O LYS A 86 -0.883 -4.718 0.581 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.422 -6.375 0.809 1.00 0.00 C ATOM 1305 CG LYS A 86 -4.855 -6.765 1.179 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.575 -7.373 -0.022 1.00 0.00 C ATOM 1307 CE LYS A 86 -7.087 -7.556 0.201 1.00 0.00 C ATOM 1308 NZ LYS A 86 -7.440 -8.619 1.174 1.00 0.00 N1+ ATOM 0 H LYS A 86 -2.801 -3.642 1.657 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.623 -6.340 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.464 -5.705 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.899 -7.275 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.842 -7.480 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.398 -5.887 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.418 -6.735 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.129 -8.341 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.508 -6.611 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.558 -7.785 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.462 -8.805 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.919 -9.489 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.187 -8.309 2.134 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.285 -6.287 1.974 1.00 0.00 N ATOM 1323 CA LEU A 87 1.090 -6.225 1.588 1.00 0.00 C ATOM 1324 C LEU A 87 1.341 -7.389 0.701 1.00 0.00 C ATOM 1325 O LEU A 87 1.226 -8.519 1.156 1.00 0.00 O ATOM 1326 CB LEU A 87 1.950 -6.287 2.872 1.00 0.00 C ATOM 1327 CG LEU A 87 3.546 -6.244 2.813 1.00 0.00 C ATOM 1328 CD1 LEU A 87 4.133 -7.535 2.307 1.00 0.00 C ATOM 1329 CD2 LEU A 87 4.019 -5.111 1.931 1.00 0.00 C ATOM 0 H LEU A 87 -0.490 -6.968 2.705 1.00 0.00 H new ATOM 0 HA LEU A 87 1.341 -5.307 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.634 -5.457 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.677 -7.206 3.391 1.00 0.00 H new ATOM 0 HG LEU A 87 3.889 -6.088 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.220 -7.457 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.841 -8.351 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.763 -7.733 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.109 -5.100 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.634 -5.251 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.656 -4.164 2.330 1.00 0.00 H new ATOM 1341 N TYR A 88 1.587 -7.134 -0.550 1.00 0.00 N ATOM 1342 CA TYR A 88 1.961 -8.178 -1.462 1.00 0.00 C ATOM 1343 C TYR A 88 3.453 -8.197 -1.511 1.00 0.00 C ATOM 1344 O TYR A 88 4.053 -7.300 -2.086 1.00 0.00 O ATOM 1345 CB TYR A 88 1.402 -7.978 -2.891 1.00 0.00 C ATOM 1346 CG TYR A 88 -0.095 -8.051 -3.009 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -0.913 -7.076 -2.451 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -0.694 -9.108 -3.667 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.279 -7.161 -2.547 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -2.060 -9.201 -3.762 1.00 0.00 C ATOM 1351 CZ TYR A 88 -2.846 -8.226 -3.202 1.00 0.00 C ATOM 1352 OH TYR A 88 -4.202 -8.336 -3.273 1.00 0.00 O ATOM 0 H TYR A 88 1.535 -6.204 -0.966 1.00 0.00 H new ATOM 0 HA TYR A 88 1.540 -9.118 -1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.733 -7.007 -3.261 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.839 -8.733 -3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.467 -6.239 -1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.077 -9.874 -4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.904 -6.396 -2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.513 -10.037 -4.274 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.439 -9.146 -3.772 1.00 0.00 H new ATOM 1362 N PRO A 89 4.089 -9.143 -0.819 1.00 0.00 N ATOM 1363 CA PRO A 89 5.514 -9.255 -0.836 1.00 0.00 C ATOM 1364 C PRO A 89 5.973 -9.619 -2.178 1.00 0.00 C ATOM 1365 O PRO A 89 5.203 -10.205 -2.984 1.00 0.00 O ATOM 1366 CB PRO A 89 5.815 -10.459 0.032 1.00 0.00 C ATOM 1367 CG PRO A 89 4.535 -11.163 0.187 1.00 0.00 C ATOM 1368 CD PRO A 89 3.480 -10.145 0.037 1.00 0.00 C ATOM 0 HA PRO A 89 5.982 -8.324 -0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.562 -11.102 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.215 -10.155 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.429 -11.946 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.473 -11.646 1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.580 -10.564 -0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.188 -9.726 1.000 1.00 0.00 H new ATOM 1376 N ALA A 90 7.198 -9.388 -2.424 1.00 0.00 N ATOM 1377 CA ALA A 90 7.734 -9.826 -3.635 1.00 0.00 C ATOM 1378 C ALA A 90 8.083 -11.274 -3.514 1.00 0.00 C ATOM 1379 O ALA A 90 9.223 -11.658 -3.266 1.00 0.00 O ATOM 1380 CB ALA A 90 8.916 -9.003 -4.052 1.00 0.00 C ATOM 0 H ALA A 90 7.844 -8.900 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 90 6.988 -9.702 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.304 -9.377 -5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.612 -7.963 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.693 -9.070 -3.290 1.00 0.00 H new ATOM 1386 N GLY A 91 7.053 -12.047 -3.597 1.00 0.00 N ATOM 1387 CA GLY A 91 7.157 -13.456 -3.681 1.00 0.00 C ATOM 1388 C GLY A 91 5.872 -14.080 -3.295 1.00 0.00 C ATOM 1389 O GLY A 91 5.329 -14.916 -4.007 1.00 0.00 O ATOM 0 H GLY A 91 6.093 -11.703 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.423 -13.750 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.954 -13.810 -3.027 1.00 0.00 H new ATOM 1393 N ALA A 92 5.309 -13.599 -2.222 1.00 0.00 N ATOM 1394 CA ALA A 92 4.105 -14.212 -1.699 1.00 0.00 C ATOM 1395 C ALA A 92 2.881 -13.369 -2.010 1.00 0.00 C ATOM 1396 O ALA A 92 2.126 -12.974 -1.128 1.00 0.00 O ATOM 1397 CB ALA A 92 4.235 -14.531 -0.212 1.00 0.00 C ATOM 0 H ALA A 92 5.652 -12.797 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 92 3.968 -15.167 -2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.312 -14.989 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.065 -15.220 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.420 -13.611 0.343 1.00 0.00 H new ATOM 1403 N LYS A 93 2.670 -13.146 -3.290 1.00 0.00 N ATOM 1404 CA LYS A 93 1.553 -12.327 -3.812 1.00 0.00 C ATOM 1405 C LYS A 93 0.189 -13.050 -3.602 1.00 0.00 C ATOM 1406 O LYS A 93 -0.871 -12.514 -3.900 1.00 0.00 O ATOM 1407 CB LYS A 93 1.744 -12.054 -5.336 1.00 0.00 C ATOM 1408 CG LYS A 93 1.464 -13.261 -6.282 1.00 0.00 C ATOM 1409 CD LYS A 93 2.514 -14.376 -6.221 1.00 0.00 C ATOM 1410 CE LYS A 93 3.814 -13.987 -6.911 1.00 0.00 C ATOM 1411 NZ LYS A 93 3.646 -13.834 -8.376 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.269 -13.526 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 93 1.551 -11.385 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.089 -11.232 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.768 -11.718 -5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.490 -13.683 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.400 -12.895 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.718 -14.622 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.113 -15.275 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.181 -13.051 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.571 -14.746 -6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.533 -13.487 -8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.403 -14.754 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.884 -13.153 -8.569 1.00 0.00 H new ATOM 1425 N GLY A 94 0.252 -14.254 -3.070 1.00 0.00 N ATOM 1426 CA GLY A 94 -0.908 -15.086 -2.876 1.00 0.00 C ATOM 1427 C GLY A 94 -1.113 -15.337 -1.415 1.00 0.00 C ATOM 1428 O GLY A 94 -2.029 -16.042 -1.008 1.00 0.00 O ATOM 0 H GLY A 94 1.123 -14.683 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.789 -14.602 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.781 -16.032 -3.403 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.236 -14.738 -0.619 1.00 0.00 N ATOM 1433 CA GLN A 95 -0.315 -14.774 0.833 1.00 0.00 C ATOM 1434 C GLN A 95 -0.047 -13.349 1.385 1.00 0.00 C ATOM 1435 O GLN A 95 0.747 -13.186 2.323 1.00 0.00 O ATOM 1436 CB GLN A 95 0.739 -15.728 1.378 1.00 0.00 C ATOM 1437 CG GLN A 95 0.710 -17.064 0.697 1.00 0.00 C ATOM 1438 CD GLN A 95 1.745 -18.049 1.209 1.00 0.00 C ATOM 1439 OE1 GLN A 95 2.856 -17.557 1.700 1.00 0.00 O flip ATOM 1440 NE2 GLN A 95 1.532 -19.257 1.172 1.00 0.00 N flip ATOM 0 H GLN A 95 0.561 -14.207 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.304 -15.115 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.726 -15.282 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.582 -15.865 2.448 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.281 -17.500 0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.863 -16.917 -0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.657 -19.609 0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.230 -19.909 1.530 1.00 0.00 H new ATOM 1449 N PRO A 96 -0.678 -12.279 0.797 1.00 0.00 N ATOM 1450 CA PRO A 96 -0.493 -10.906 1.252 1.00 0.00 C ATOM 1451 C PRO A 96 -0.910 -10.719 2.678 1.00 0.00 C ATOM 1452 O PRO A 96 -1.732 -11.488 3.207 1.00 0.00 O ATOM 1453 CB PRO A 96 -1.447 -10.121 0.378 1.00 0.00 C ATOM 1454 CG PRO A 96 -1.532 -10.931 -0.840 1.00 0.00 C ATOM 1455 CD PRO A 96 -1.589 -12.306 -0.356 1.00 0.00 C ATOM 0 HA PRO A 96 0.553 -10.605 1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.422 -10.003 0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.070 -9.120 0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.416 -10.678 -1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.668 -10.772 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.600 -12.592 -0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.261 -13.017 -1.115 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.422 -9.687 3.311 1.00 0.00 N ATOM 1464 CA VAL A 97 -0.789 -9.498 4.646 1.00 0.00 C ATOM 1465 C VAL A 97 -1.916 -8.510 4.653 1.00 0.00 C ATOM 1466 O VAL A 97 -1.701 -7.306 4.536 1.00 0.00 O ATOM 1467 CB VAL A 97 0.389 -9.027 5.506 1.00 0.00 C ATOM 1468 CG1 VAL A 97 0.033 -9.093 6.982 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.622 -9.868 5.209 1.00 0.00 C ATOM 0 H VAL A 97 0.213 -8.992 2.918 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.106 -10.442 5.089 1.00 0.00 H new ATOM 0 HB VAL A 97 0.610 -7.989 5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.882 -8.755 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.826 -8.451 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.212 -10.120 7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.453 -9.525 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.412 -10.914 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.886 -9.768 4.156 1.00 0.00 H new ATOM 1479 N THR A 98 -3.110 -9.052 4.590 1.00 0.00 N ATOM 1480 CA THR A 98 -4.305 -8.276 4.627 1.00 0.00 C ATOM 1481 C THR A 98 -4.517 -7.753 6.051 1.00 0.00 C ATOM 1482 O THR A 98 -4.413 -8.492 7.040 1.00 0.00 O ATOM 1483 CB THR A 98 -5.537 -9.064 4.063 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.694 -8.222 3.952 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.856 -10.305 4.882 1.00 0.00 C ATOM 0 H THR A 98 -3.269 -10.056 4.511 1.00 0.00 H new ATOM 0 HA THR A 98 -4.200 -7.417 3.965 1.00 0.00 H new ATOM 0 HB THR A 98 -5.257 -9.397 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.359 -8.490 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.717 -10.815 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.997 -10.976 4.876 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.083 -10.015 5.908 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.754 -6.503 6.122 1.00 0.00 N ATOM 1494 CA TYR A 99 -4.795 -5.751 7.312 1.00 0.00 C ATOM 1495 C TYR A 99 -5.931 -4.756 7.221 1.00 0.00 C ATOM 1496 O TYR A 99 -6.535 -4.606 6.159 1.00 0.00 O ATOM 1497 CB TYR A 99 -3.472 -5.011 7.394 1.00 0.00 C ATOM 1498 CG TYR A 99 -2.713 -5.293 8.633 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -1.868 -6.392 8.705 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -2.845 -4.485 9.738 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -1.172 -6.670 9.866 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -2.155 -4.746 10.890 1.00 0.00 C ATOM 1503 CZ TYR A 99 -1.322 -5.836 10.957 1.00 0.00 C ATOM 1504 OH TYR A 99 -0.643 -6.098 12.132 1.00 0.00 O ATOM 0 H TYR A 99 -4.937 -5.938 5.293 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.949 -6.380 8.188 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.860 -5.281 6.533 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.660 -3.939 7.328 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.753 -7.036 7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -3.504 -3.631 9.696 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.519 -7.529 9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.265 -4.096 11.745 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.862 -5.412 12.796 1.00 0.00 H new ATOM 1514 N SER A 100 -6.227 -4.080 8.296 1.00 0.00 N ATOM 1515 CA SER A 100 -7.291 -3.112 8.278 1.00 0.00 C ATOM 1516 C SER A 100 -6.738 -1.676 8.315 1.00 0.00 C ATOM 1517 O SER A 100 -6.906 -0.917 7.357 1.00 0.00 O ATOM 1518 CB SER A 100 -8.242 -3.392 9.431 1.00 0.00 C ATOM 1519 OG SER A 100 -8.667 -4.756 9.388 1.00 0.00 O ATOM 0 H SER A 100 -5.750 -4.180 9.192 1.00 0.00 H new ATOM 0 HA SER A 100 -7.847 -3.201 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.748 -3.185 10.380 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.106 -2.730 9.371 1.00 0.00 H new ATOM 0 HG SER A 100 -9.278 -4.932 10.134 1.00 0.00 H new ATOM 1525 N GLY A 101 -6.042 -1.327 9.384 1.00 0.00 N ATOM 1526 CA GLY A 101 -5.504 0.001 9.499 1.00 0.00 C ATOM 1527 C GLY A 101 -4.636 0.152 10.722 1.00 0.00 C ATOM 1528 O GLY A 101 -5.049 -0.213 11.826 1.00 0.00 O ATOM 0 H GLY A 101 -5.842 -1.943 10.172 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.920 0.235 8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.321 0.721 9.543 1.00 0.00 H new ATOM 1532 N SER A 102 -3.432 0.642 10.520 1.00 0.00 N ATOM 1533 CA SER A 102 -2.493 0.856 11.607 1.00 0.00 C ATOM 1534 C SER A 102 -2.500 2.328 12.069 1.00 0.00 C ATOM 1535 O SER A 102 -2.193 2.626 13.218 1.00 0.00 O ATOM 1536 CB SER A 102 -1.092 0.494 11.121 1.00 0.00 C ATOM 1537 OG SER A 102 -1.074 -0.791 10.523 1.00 0.00 O ATOM 0 H SER A 102 -3.074 0.904 9.601 1.00 0.00 H new ATOM 0 HA SER A 102 -2.786 0.230 12.450 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.750 1.238 10.401 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.396 0.518 11.959 1.00 0.00 H new ATOM 0 HG SER A 102 -0.478 -1.380 11.032 1.00 0.00 H new ATOM 1543 N ARG A 103 -2.845 3.234 11.137 1.00 0.00 N ATOM 1544 CA ARG A 103 -2.840 4.720 11.343 1.00 0.00 C ATOM 1545 C ARG A 103 -1.416 5.262 11.664 1.00 0.00 C ATOM 1546 O ARG A 103 -1.223 6.423 12.001 1.00 0.00 O ATOM 1547 CB ARG A 103 -3.856 5.143 12.426 1.00 0.00 C ATOM 1548 CG ARG A 103 -4.157 6.632 12.482 1.00 0.00 C ATOM 1549 CD ARG A 103 -5.028 6.971 13.673 1.00 0.00 C ATOM 1550 NE ARG A 103 -6.261 6.173 13.715 1.00 0.00 N ATOM 1551 CZ ARG A 103 -7.321 6.457 14.470 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -7.358 7.584 15.180 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -8.352 5.614 14.506 1.00 0.00 N ATOM 0 H ARG A 103 -3.142 2.965 10.199 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.150 5.171 10.400 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.789 4.606 12.256 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.479 4.828 13.399 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.224 7.192 12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.657 6.939 11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.462 6.808 14.590 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.285 8.030 13.641 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.309 5.343 13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -6.572 8.234 15.147 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.172 7.797 15.757 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.328 4.755 13.957 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.166 5.828 15.083 1.00 0.00 H new ATOM 1567 N THR A 104 -0.442 4.444 11.460 1.00 0.00 N ATOM 1568 CA THR A 104 0.907 4.799 11.793 1.00 0.00 C ATOM 1569 C THR A 104 1.878 4.347 10.700 1.00 0.00 C ATOM 1570 O THR A 104 1.559 3.459 9.890 1.00 0.00 O ATOM 1571 CB THR A 104 1.314 4.213 13.185 1.00 0.00 C ATOM 1572 OG1 THR A 104 2.654 4.582 13.524 1.00 0.00 O ATOM 1573 CG2 THR A 104 1.194 2.701 13.202 1.00 0.00 C ATOM 0 H THR A 104 -0.550 3.512 11.060 1.00 0.00 H new ATOM 0 HA THR A 104 0.961 5.886 11.860 1.00 0.00 H new ATOM 0 HB THR A 104 0.628 4.631 13.922 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.105 3.822 13.947 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.484 2.324 14.183 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.163 2.415 12.994 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.849 2.275 12.442 1.00 0.00 H new ATOM 1581 N VAL A 105 3.028 4.990 10.671 1.00 0.00 N ATOM 1582 CA VAL A 105 4.103 4.708 9.727 1.00 0.00 C ATOM 1583 C VAL A 105 5.021 3.638 10.303 1.00 0.00 C ATOM 1584 O VAL A 105 5.508 2.770 9.594 1.00 0.00 O ATOM 1585 CB VAL A 105 4.949 5.992 9.483 1.00 0.00 C ATOM 1586 CG1 VAL A 105 6.136 5.716 8.584 1.00 0.00 C ATOM 1587 CG2 VAL A 105 4.097 7.090 8.899 1.00 0.00 C ATOM 0 H VAL A 105 3.252 5.745 11.319 1.00 0.00 H new ATOM 0 HA VAL A 105 3.662 4.368 8.790 1.00 0.00 H new ATOM 0 HB VAL A 105 5.330 6.319 10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.702 6.636 8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.777 4.966 9.047 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.785 5.348 7.620 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.708 7.978 8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.678 6.759 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.287 7.328 9.589 1.00 0.00 H new ATOM 1597 N GLU A 106 5.170 3.687 11.607 1.00 0.00 N ATOM 1598 CA GLU A 106 6.112 2.858 12.386 1.00 0.00 C ATOM 1599 C GLU A 106 5.842 1.398 12.141 1.00 0.00 C ATOM 1600 O GLU A 106 6.733 0.597 11.806 1.00 0.00 O ATOM 1601 CB GLU A 106 5.900 3.150 13.872 1.00 0.00 C ATOM 1602 CG GLU A 106 5.755 4.617 14.155 1.00 0.00 C ATOM 1603 CD GLU A 106 5.713 4.956 15.617 1.00 0.00 C ATOM 1604 OE1 GLU A 106 4.709 4.649 16.267 1.00 0.00 O ATOM 1605 OE2 GLU A 106 6.656 5.595 16.117 1.00 0.00 O1- ATOM 0 H GLU A 106 4.627 4.322 12.192 1.00 0.00 H new ATOM 0 HA GLU A 106 7.133 3.091 12.085 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.009 2.627 14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.742 2.755 14.440 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.586 5.150 13.693 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.842 4.979 13.682 1.00 0.00 H new ATOM 1612 N ASP A 107 4.590 1.095 12.240 1.00 0.00 N ATOM 1613 CA ASP A 107 4.096 -0.284 12.097 1.00 0.00 C ATOM 1614 C ASP A 107 4.227 -0.723 10.660 1.00 0.00 C ATOM 1615 O ASP A 107 4.489 -1.871 10.379 1.00 0.00 O ATOM 1616 CB ASP A 107 2.639 -0.404 12.593 1.00 0.00 C ATOM 1617 CG ASP A 107 2.031 -1.807 12.496 1.00 0.00 C ATOM 1618 OD1 ASP A 107 2.694 -2.806 12.875 1.00 0.00 O ATOM 1619 OD2 ASP A 107 0.835 -1.915 12.121 1.00 0.00 O1- ATOM 0 H ASP A 107 3.858 1.781 12.423 1.00 0.00 H new ATOM 0 HA ASP A 107 4.702 -0.944 12.718 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.598 -0.079 13.632 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.019 0.284 12.019 1.00 0.00 H new ATOM 1624 N LEU A 108 4.149 0.231 9.762 1.00 0.00 N ATOM 1625 CA LEU A 108 4.259 -0.035 8.344 1.00 0.00 C ATOM 1626 C LEU A 108 5.654 -0.330 7.907 1.00 0.00 C ATOM 1627 O LEU A 108 5.858 -1.190 7.077 1.00 0.00 O ATOM 1628 CB LEU A 108 3.669 1.054 7.522 1.00 0.00 C ATOM 1629 CG LEU A 108 2.157 1.036 7.419 1.00 0.00 C ATOM 1630 CD1 LEU A 108 1.692 2.140 6.522 1.00 0.00 C ATOM 1631 CD2 LEU A 108 1.664 -0.311 6.897 1.00 0.00 C ATOM 0 H LEU A 108 4.007 1.214 9.992 1.00 0.00 H new ATOM 0 HA LEU A 108 3.676 -0.941 8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.978 2.012 7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.087 0.996 6.517 1.00 0.00 H new ATOM 0 HG LEU A 108 1.742 1.188 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.604 2.120 6.454 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.012 3.099 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.120 2.007 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.576 -0.300 6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.085 -0.494 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.978 -1.102 7.578 1.00 0.00 H new ATOM 1643 N ILE A 109 6.597 0.374 8.446 1.00 0.00 N ATOM 1644 CA ILE A 109 7.994 0.095 8.201 1.00 0.00 C ATOM 1645 C ILE A 109 8.264 -1.369 8.592 1.00 0.00 C ATOM 1646 O ILE A 109 8.618 -2.204 7.762 1.00 0.00 O ATOM 1647 CB ILE A 109 8.806 1.032 9.087 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.589 2.480 8.655 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.295 0.669 9.101 1.00 0.00 C ATOM 1650 CD1 ILE A 109 9.037 3.483 9.681 1.00 0.00 C ATOM 0 H ILE A 109 6.430 1.162 9.071 1.00 0.00 H new ATOM 0 HA ILE A 109 8.263 0.244 7.155 1.00 0.00 H new ATOM 0 HB ILE A 109 8.451 0.916 10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.128 2.658 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.531 2.634 8.445 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.833 1.364 9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.419 -0.346 9.479 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.694 0.730 8.088 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.854 4.491 9.309 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.480 3.331 10.606 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.102 3.356 9.874 1.00 0.00 H new ATOM 1662 N LYS A 110 7.896 -1.683 9.831 1.00 0.00 N ATOM 1663 CA LYS A 110 8.077 -2.983 10.433 1.00 0.00 C ATOM 1664 C LYS A 110 7.233 -4.015 9.685 1.00 0.00 C ATOM 1665 O LYS A 110 7.544 -5.209 9.649 1.00 0.00 O ATOM 1666 CB LYS A 110 7.641 -2.840 11.898 1.00 0.00 C ATOM 1667 CG LYS A 110 7.925 -4.002 12.820 1.00 0.00 C ATOM 1668 CD LYS A 110 9.392 -4.382 12.795 1.00 0.00 C ATOM 1669 CE LYS A 110 9.821 -5.027 14.097 1.00 0.00 C ATOM 1670 NZ LYS A 110 8.898 -6.088 14.550 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.450 -1.012 10.456 1.00 0.00 H new ATOM 0 HA LYS A 110 9.111 -3.325 10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.127 -1.955 12.310 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.568 -2.651 11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.632 -3.741 13.837 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.320 -4.859 12.524 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.577 -5.069 11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.996 -3.493 12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.818 -5.449 13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.891 -4.261 14.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.350 -5.746 15.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.249 -6.337 13.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.444 -6.928 14.828 1.00 0.00 H new ATOM 1684 N PHE A 111 6.226 -3.523 9.009 1.00 0.00 N ATOM 1685 CA PHE A 111 5.303 -4.333 8.301 1.00 0.00 C ATOM 1686 C PHE A 111 6.017 -4.915 7.142 1.00 0.00 C ATOM 1687 O PHE A 111 6.304 -6.069 7.140 1.00 0.00 O ATOM 1688 CB PHE A 111 4.206 -3.476 7.817 1.00 0.00 C ATOM 1689 CG PHE A 111 2.919 -4.123 7.457 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.851 -5.058 6.456 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.758 -3.749 8.098 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.656 -5.615 6.105 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.562 -4.304 7.750 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.510 -5.242 6.745 1.00 0.00 C ATOM 0 H PHE A 111 6.032 -2.524 8.942 1.00 0.00 H new ATOM 0 HA PHE A 111 4.899 -5.122 8.936 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.001 -2.731 8.586 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.565 -2.938 6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.752 -5.356 5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.796 -3.009 8.884 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.617 -6.354 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.342 -4.008 8.262 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.435 -5.682 6.463 1.00 0.00 H new ATOM 1704 N ILE A 112 6.436 -4.069 6.230 1.00 0.00 N ATOM 1705 CA ILE A 112 7.119 -4.495 5.000 1.00 0.00 C ATOM 1706 C ILE A 112 8.457 -5.118 5.387 1.00 0.00 C ATOM 1707 O ILE A 112 9.067 -5.877 4.655 1.00 0.00 O ATOM 1708 CB ILE A 112 7.447 -3.282 4.116 1.00 0.00 C ATOM 1709 CG1 ILE A 112 6.267 -2.340 4.031 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.793 -3.757 2.720 1.00 0.00 C ATOM 1711 CD1 ILE A 112 6.666 -0.895 4.189 1.00 0.00 C ATOM 0 H ILE A 112 6.319 -3.059 6.307 1.00 0.00 H new ATOM 0 HA ILE A 112 6.471 -5.190 4.466 1.00 0.00 H new ATOM 0 HB ILE A 112 8.290 -2.753 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.769 -2.473 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.543 -2.600 4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.026 -2.898 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.658 -4.419 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.945 -4.296 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.780 -0.263 4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.138 -0.752 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.368 -0.623 3.401 1.00 0.00 H new ATOM 1723 N ALA A 113 8.845 -4.846 6.572 1.00 0.00 N ATOM 1724 CA ALA A 113 10.157 -5.267 7.046 1.00 0.00 C ATOM 1725 C ALA A 113 10.124 -6.667 7.579 1.00 0.00 C ATOM 1726 O ALA A 113 11.152 -7.302 7.736 1.00 0.00 O ATOM 1727 CB ALA A 113 10.716 -4.331 8.077 1.00 0.00 C ATOM 0 H ALA A 113 8.289 -4.332 7.255 1.00 0.00 H new ATOM 0 HA ALA A 113 10.820 -5.241 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.694 -4.687 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.816 -3.334 7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.044 -4.291 8.934 1.00 0.00 H new ATOM 1733 N GLU A 114 8.963 -7.135 7.901 1.00 0.00 N ATOM 1734 CA GLU A 114 8.831 -8.495 8.360 1.00 0.00 C ATOM 1735 C GLU A 114 8.021 -9.274 7.390 1.00 0.00 C ATOM 1736 O GLU A 114 8.381 -10.372 6.977 1.00 0.00 O ATOM 1737 CB GLU A 114 8.153 -8.540 9.697 1.00 0.00 C ATOM 1738 CG GLU A 114 8.869 -7.785 10.752 1.00 0.00 C ATOM 1739 CD GLU A 114 8.345 -8.139 12.094 1.00 0.00 C ATOM 1740 OE1 GLU A 114 8.681 -9.211 12.605 1.00 0.00 O1- ATOM 1741 OE2 GLU A 114 7.559 -7.372 12.660 1.00 0.00 O ATOM 0 H GLU A 114 8.092 -6.606 7.858 1.00 0.00 H new ATOM 0 HA GLU A 114 9.829 -8.923 8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.144 -8.140 9.597 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.054 -9.579 10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.936 -8.004 10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.755 -6.714 10.582 1.00 0.00 H new ATOM 1748 N ASN A 115 6.968 -8.648 6.994 1.00 0.00 N ATOM 1749 CA ASN A 115 5.960 -9.177 6.149 1.00 0.00 C ATOM 1750 C ASN A 115 6.421 -9.132 4.735 1.00 0.00 C ATOM 1751 O ASN A 115 5.999 -9.934 3.900 1.00 0.00 O ATOM 1752 CB ASN A 115 4.740 -8.295 6.327 1.00 0.00 C ATOM 1753 CG ASN A 115 4.054 -8.438 7.668 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.207 -9.286 7.868 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.409 -7.580 8.587 1.00 0.00 N ATOM 0 H ASN A 115 6.777 -7.686 7.273 1.00 0.00 H new ATOM 0 HA ASN A 115 5.733 -10.214 6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.037 -7.255 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.023 -8.525 5.539 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.971 -7.609 9.508 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.124 -6.882 8.384 1.00 0.00 H new ATOM 1762 N GLY A 116 7.299 -8.194 4.465 1.00 0.00 N ATOM 1763 CA GLY A 116 7.821 -8.061 3.168 1.00 0.00 C ATOM 1764 C GLY A 116 8.945 -9.022 2.960 1.00 0.00 C ATOM 1765 O GLY A 116 9.492 -9.550 3.941 1.00 0.00 O ATOM 0 H GLY A 116 7.654 -7.520 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.037 -8.243 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.172 -7.041 3.013 1.00 0.00 H new ATOM 1769 N LYS A 117 9.309 -9.280 1.733 1.00 0.00 N ATOM 1770 CA LYS A 117 10.411 -10.188 1.501 1.00 0.00 C ATOM 1771 C LYS A 117 11.639 -9.413 1.296 1.00 0.00 C ATOM 1772 O LYS A 117 12.749 -9.910 1.466 1.00 0.00 O ATOM 1773 CB LYS A 117 10.201 -11.113 0.336 1.00 0.00 C ATOM 1774 CG LYS A 117 9.044 -12.090 0.529 1.00 0.00 C ATOM 1775 CD LYS A 117 9.071 -13.246 -0.470 1.00 0.00 C ATOM 1776 CE LYS A 117 10.217 -14.209 -0.170 1.00 0.00 C ATOM 1777 NZ LYS A 117 10.268 -15.358 -1.105 1.00 0.00 N1+ ATOM 0 H LYS A 117 8.876 -8.889 0.896 1.00 0.00 H new ATOM 0 HA LYS A 117 10.486 -10.821 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.018 -10.519 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.117 -11.678 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.078 -12.491 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.101 -11.553 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 117 8.123 -13.783 -0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.178 -12.854 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.161 -13.667 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.114 -14.581 0.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.065 -15.976 -0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.380 -15.895 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.395 -15.010 -2.077 1.00 0.00 H new ATOM 1791 N TYR A 118 11.451 -8.192 0.925 1.00 0.00 N ATOM 1792 CA TYR A 118 12.521 -7.303 0.778 1.00 0.00 C ATOM 1793 C TYR A 118 12.982 -6.808 2.131 1.00 0.00 C ATOM 1794 O TYR A 118 14.085 -6.250 2.250 1.00 0.00 O ATOM 1795 CB TYR A 118 12.153 -6.152 -0.116 1.00 0.00 C ATOM 1796 CG TYR A 118 12.405 -6.385 -1.577 1.00 0.00 C ATOM 1797 CD1 TYR A 118 13.656 -6.142 -2.126 1.00 0.00 C ATOM 1798 CD2 TYR A 118 11.407 -6.839 -2.409 1.00 0.00 C ATOM 1799 CE1 TYR A 118 13.898 -6.343 -3.464 1.00 0.00 C ATOM 1800 CE2 TYR A 118 11.645 -7.042 -3.747 1.00 0.00 C ATOM 1801 CZ TYR A 118 12.884 -6.795 -4.270 1.00 0.00 C ATOM 1802 OH TYR A 118 13.107 -7.003 -5.620 1.00 0.00 O ATOM 0 H TYR A 118 10.536 -7.792 0.716 1.00 0.00 H new ATOM 0 HA TYR A 118 13.345 -7.838 0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.096 -5.924 0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 118 12.713 -5.272 0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 118 14.454 -5.788 -1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 118 10.425 -7.038 -2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 118 14.877 -6.147 -3.877 1.00 0.00 H new ATOM 0 HE2 TYR A 118 10.851 -7.398 -4.387 1.00 0.00 H new ATOM 0 HH TYR A 118 12.271 -6.873 -6.114 1.00 0.00 H new ATOM 1812 N LYS A 119 12.102 -6.985 3.158 1.00 0.00 N ATOM 1813 CA LYS A 119 12.411 -6.660 4.535 1.00 0.00 C ATOM 1814 C LYS A 119 12.794 -5.187 4.637 1.00 0.00 C ATOM 1815 O LYS A 119 13.786 -4.821 5.284 1.00 0.00 O ATOM 1816 CB LYS A 119 13.554 -7.552 5.018 1.00 0.00 C ATOM 1817 CG LYS A 119 13.296 -9.058 4.920 1.00 0.00 C ATOM 1818 CD LYS A 119 12.208 -9.510 5.872 1.00 0.00 C ATOM 1819 CE LYS A 119 11.985 -11.007 5.778 1.00 0.00 C ATOM 1820 NZ LYS A 119 10.978 -11.481 6.753 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.162 -7.360 3.028 1.00 0.00 H new ATOM 0 HA LYS A 119 11.539 -6.835 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.447 -7.315 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.772 -7.304 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.012 -9.312 3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.217 -9.599 5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.481 -9.244 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.280 -8.986 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.661 -11.262 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.928 -11.525 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.769 -12.484 6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.350 -11.369 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.106 -10.923 6.651 1.00 0.00 H new ATOM 1834 N ALA A 120 11.982 -4.358 4.017 1.00 0.00 N ATOM 1835 CA ALA A 120 12.256 -2.943 3.888 1.00 0.00 C ATOM 1836 C ALA A 120 12.117 -2.187 5.198 1.00 0.00 C ATOM 1837 O ALA A 120 11.025 -1.819 5.602 1.00 0.00 O ATOM 1838 CB ALA A 120 11.377 -2.328 2.823 1.00 0.00 C ATOM 0 H ALA A 120 11.105 -4.650 3.585 1.00 0.00 H new ATOM 0 HA ALA A 120 13.300 -2.854 3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.597 -1.264 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.570 -2.814 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.330 -2.462 3.094 1.00 0.00 H new ATOM 1844 N ALA A 121 13.226 -1.997 5.853 1.00 0.00 N ATOM 1845 CA ALA A 121 13.288 -1.237 7.063 1.00 0.00 C ATOM 1846 C ALA A 121 14.387 -0.202 6.919 1.00 0.00 C ATOM 1847 O ALA A 121 15.581 -0.544 7.128 1.00 0.00 O ATOM 1848 CB ALA A 121 13.541 -2.153 8.259 1.00 0.00 C ATOM 1849 OXT ALA A 121 14.090 0.946 6.550 1.00 0.00 O ATOM 0 H ALA A 121 14.126 -2.373 5.554 1.00 0.00 H new ATOM 0 HA ALA A 121 12.338 -0.734 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 121 13.585 -1.557 9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.732 -2.879 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 121 14.487 -2.677 8.122 1.00 0.00 H new TER 1855 ALA A 121