USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 834 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 80:sc= 0.868 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 77:sc= 0.275 USER MOD Single : A 25 TYR OH : rot -178:sc= -0.945 USER MOD Single : A 27 CYS SG : rot 61:sc= 0.985 USER MOD Single : A 29 CYS SG : rot 8:sc= 0.123 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -121:sc= -0.311 (180deg=-1.75!) USER MOD Single : A 37 SER OG : rot -28:sc= 0.842 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 33:sc= -0.349 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -145:sc= -3.51! (180deg=-6.79!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0783 USER MOD Single : A 57 GLN : amide:sc= -0.064 K(o=-0.064,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-7.1!) USER MOD Single : A 70 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.016) USER MOD Single : A 71 TYR OH : rot 9:sc= -0.306! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.26! K(o=-2.3!,f=-0.35) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 38:sc= 0.452 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -0.0279 (180deg=-0.759) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.6) USER MOD Single : A 104 SER OG : rot 38:sc= 0.559 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.0821 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.936 40.919 -8.511 1.00 0.00 N ATOM 2 CA GLY A 1 4.415 42.275 -8.321 1.00 0.00 C ATOM 3 C GLY A 1 5.573 42.616 -9.237 1.00 0.00 C ATOM 4 O GLY A 1 5.470 43.518 -10.069 1.00 0.00 O ATOM 0 H1 GLY A 1 3.145 40.736 -7.861 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.613 40.799 -9.492 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.706 40.248 -8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.598 42.974 -8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.726 42.405 -7.284 1.00 0.00 H new ATOM 8 N SER A 2 6.679 41.895 -9.085 1.00 0.00 N ATOM 9 CA SER A 2 7.863 42.129 -9.903 1.00 0.00 C ATOM 10 C SER A 2 8.200 40.896 -10.735 1.00 0.00 C ATOM 11 O SER A 2 8.404 40.989 -11.946 1.00 0.00 O ATOM 12 CB SER A 2 9.054 42.502 -9.017 1.00 0.00 C ATOM 13 OG SER A 2 10.232 42.662 -9.788 1.00 0.00 O ATOM 0 H SER A 2 6.780 41.144 -8.403 1.00 0.00 H new ATOM 0 HA SER A 2 7.650 42.956 -10.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.838 43.426 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.209 41.727 -8.266 1.00 0.00 H new ATOM 0 HG SER A 2 10.978 42.902 -9.199 1.00 0.00 H new ATOM 19 N SER A 3 8.257 39.743 -10.077 1.00 0.00 N ATOM 20 CA SER A 3 8.574 38.491 -10.755 1.00 0.00 C ATOM 21 C SER A 3 7.311 37.671 -10.999 1.00 0.00 C ATOM 22 O SER A 3 6.235 38.007 -10.507 1.00 0.00 O ATOM 23 CB SER A 3 9.574 37.678 -9.930 1.00 0.00 C ATOM 24 OG SER A 3 10.858 38.277 -9.949 1.00 0.00 O ATOM 0 H SER A 3 8.088 39.649 -9.075 1.00 0.00 H new ATOM 0 HA SER A 3 9.022 38.732 -11.719 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.222 37.598 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.637 36.664 -10.325 1.00 0.00 H new ATOM 0 HG SER A 3 11.478 37.739 -9.413 1.00 0.00 H new ATOM 30 N GLY A 4 7.453 36.591 -11.762 1.00 0.00 N ATOM 31 CA GLY A 4 6.316 35.739 -12.058 1.00 0.00 C ATOM 32 C GLY A 4 6.106 35.549 -13.547 1.00 0.00 C ATOM 33 O GLY A 4 5.888 34.431 -14.013 1.00 0.00 O ATOM 0 H GLY A 4 8.334 36.291 -12.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.462 34.767 -11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.417 36.173 -11.620 1.00 0.00 H new ATOM 37 N SER A 5 6.170 36.646 -14.296 1.00 0.00 N ATOM 38 CA SER A 5 5.980 36.597 -15.742 1.00 0.00 C ATOM 39 C SER A 5 7.068 35.758 -16.404 1.00 0.00 C ATOM 40 O SER A 5 6.791 34.949 -17.290 1.00 0.00 O ATOM 41 CB SER A 5 5.983 38.010 -16.326 1.00 0.00 C ATOM 42 OG SER A 5 7.164 38.706 -15.972 1.00 0.00 O ATOM 0 H SER A 5 6.352 37.579 -13.926 1.00 0.00 H new ATOM 0 HA SER A 5 5.015 36.132 -15.942 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.899 37.958 -17.412 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.112 38.558 -15.965 1.00 0.00 H new ATOM 0 HG SER A 5 7.142 39.606 -16.359 1.00 0.00 H new ATOM 48 N SER A 6 8.308 35.956 -15.968 1.00 0.00 N ATOM 49 CA SER A 6 9.439 35.222 -16.520 1.00 0.00 C ATOM 50 C SER A 6 10.468 34.913 -15.437 1.00 0.00 C ATOM 51 O SER A 6 10.800 35.769 -14.617 1.00 0.00 O ATOM 52 CB SER A 6 10.094 36.025 -17.647 1.00 0.00 C ATOM 53 OG SER A 6 10.687 37.212 -17.149 1.00 0.00 O ATOM 0 H SER A 6 8.554 36.619 -15.233 1.00 0.00 H new ATOM 0 HA SER A 6 9.067 34.280 -16.922 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.851 35.415 -18.140 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.347 36.276 -18.400 1.00 0.00 H new ATOM 0 HG SER A 6 11.100 37.706 -17.888 1.00 0.00 H new ATOM 59 N GLY A 7 10.970 33.681 -15.440 1.00 0.00 N ATOM 60 CA GLY A 7 11.955 33.280 -14.453 1.00 0.00 C ATOM 61 C GLY A 7 11.327 32.620 -13.241 1.00 0.00 C ATOM 62 O GLY A 7 10.103 32.553 -13.128 1.00 0.00 O ATOM 0 H GLY A 7 10.712 32.955 -16.108 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.664 32.591 -14.911 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.522 34.155 -14.134 1.00 0.00 H new ATOM 66 N MET A 8 12.166 32.132 -12.334 1.00 0.00 N ATOM 67 CA MET A 8 11.684 31.474 -11.125 1.00 0.00 C ATOM 68 C MET A 8 11.575 32.467 -9.972 1.00 0.00 C ATOM 69 O MET A 8 12.221 33.515 -9.981 1.00 0.00 O ATOM 70 CB MET A 8 12.617 30.325 -10.737 1.00 0.00 C ATOM 71 CG MET A 8 14.001 30.784 -10.307 1.00 0.00 C ATOM 72 SD MET A 8 15.143 30.942 -11.692 1.00 0.00 S ATOM 73 CE MET A 8 16.076 29.420 -11.536 1.00 0.00 C ATOM 0 H MET A 8 13.182 32.179 -12.413 1.00 0.00 H new ATOM 0 HA MET A 8 10.692 31.073 -11.331 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.163 29.758 -9.925 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.715 29.646 -11.584 1.00 0.00 H new ATOM 0 HG2 MET A 8 13.919 31.744 -9.798 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.407 30.074 -9.586 1.00 0.00 H new ATOM 0 HE1 MET A 8 16.826 29.370 -12.326 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.570 29.394 -10.565 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.401 28.569 -11.623 1.00 0.00 H new ATOM 83 N SER A 9 10.755 32.131 -8.982 1.00 0.00 N ATOM 84 CA SER A 9 10.559 32.995 -7.824 1.00 0.00 C ATOM 85 C SER A 9 11.140 32.358 -6.566 1.00 0.00 C ATOM 86 O SER A 9 11.559 31.200 -6.578 1.00 0.00 O ATOM 87 CB SER A 9 9.071 33.284 -7.623 1.00 0.00 C ATOM 88 OG SER A 9 8.878 34.497 -6.917 1.00 0.00 O ATOM 0 H SER A 9 10.215 31.266 -8.958 1.00 0.00 H new ATOM 0 HA SER A 9 11.082 33.933 -8.009 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.574 33.340 -8.592 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.609 32.463 -7.075 1.00 0.00 H new ATOM 0 HG SER A 9 7.918 34.660 -6.803 1.00 0.00 H new ATOM 94 N VAL A 10 11.163 33.124 -5.479 1.00 0.00 N ATOM 95 CA VAL A 10 11.691 32.635 -4.211 1.00 0.00 C ATOM 96 C VAL A 10 10.676 31.749 -3.497 1.00 0.00 C ATOM 97 O VAL A 10 11.027 30.709 -2.941 1.00 0.00 O ATOM 98 CB VAL A 10 12.085 33.797 -3.281 1.00 0.00 C ATOM 99 CG1 VAL A 10 10.886 34.694 -3.011 1.00 0.00 C ATOM 100 CG2 VAL A 10 12.667 33.267 -1.981 1.00 0.00 C ATOM 0 H VAL A 10 10.822 34.085 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 10 12.580 32.049 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 10 12.851 34.393 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.183 35.510 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.518 35.103 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.096 34.112 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.939 34.103 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.926 32.647 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.554 32.670 -2.196 1.00 0.00 H new ATOM 110 N ASP A 11 9.415 32.170 -3.517 1.00 0.00 N ATOM 111 CA ASP A 11 8.348 31.414 -2.873 1.00 0.00 C ATOM 112 C ASP A 11 7.909 30.241 -3.745 1.00 0.00 C ATOM 113 O ASP A 11 7.209 29.340 -3.284 1.00 0.00 O ATOM 114 CB ASP A 11 7.153 32.325 -2.583 1.00 0.00 C ATOM 115 CG ASP A 11 6.117 31.655 -1.702 1.00 0.00 C ATOM 116 OD1 ASP A 11 5.329 30.840 -2.225 1.00 0.00 O ATOM 117 OD2 ASP A 11 6.094 31.947 -0.487 1.00 0.00 O ATOM 0 H ASP A 11 9.108 33.030 -3.972 1.00 0.00 H new ATOM 0 HA ASP A 11 8.732 31.020 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.503 33.236 -2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.689 32.622 -3.524 1.00 0.00 H new ATOM 122 N ALA A 12 8.326 30.261 -5.006 1.00 0.00 N ATOM 123 CA ALA A 12 7.977 29.199 -5.942 1.00 0.00 C ATOM 124 C ALA A 12 8.292 27.826 -5.358 1.00 0.00 C ATOM 125 O ALA A 12 7.443 26.936 -5.344 1.00 0.00 O ATOM 126 CB ALA A 12 8.711 29.395 -7.261 1.00 0.00 C ATOM 0 H ALA A 12 8.906 31.000 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 12 6.904 29.249 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.441 28.595 -7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.432 30.356 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.787 29.375 -7.085 1.00 0.00 H new ATOM 132 N VAL A 13 9.520 27.661 -4.877 1.00 0.00 N ATOM 133 CA VAL A 13 9.948 26.396 -4.291 1.00 0.00 C ATOM 134 C VAL A 13 9.082 26.025 -3.093 1.00 0.00 C ATOM 135 O VAL A 13 9.036 24.865 -2.683 1.00 0.00 O ATOM 136 CB VAL A 13 11.421 26.453 -3.846 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.683 27.704 -3.023 1.00 0.00 C ATOM 138 CG2 VAL A 13 11.790 25.202 -3.064 1.00 0.00 C ATOM 0 H VAL A 13 10.236 28.387 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 13 9.839 25.636 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 13 12.049 26.496 -4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.729 27.726 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.461 28.587 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.047 27.697 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.834 25.259 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.156 25.125 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.644 24.324 -3.693 1.00 0.00 H new ATOM 148 N GLU A 14 8.394 27.018 -2.536 1.00 0.00 N ATOM 149 CA GLU A 14 7.529 26.794 -1.384 1.00 0.00 C ATOM 150 C GLU A 14 6.282 26.011 -1.784 1.00 0.00 C ATOM 151 O GLU A 14 5.912 25.036 -1.128 1.00 0.00 O ATOM 152 CB GLU A 14 7.124 28.130 -0.755 1.00 0.00 C ATOM 153 CG GLU A 14 6.548 27.994 0.644 1.00 0.00 C ATOM 154 CD GLU A 14 6.787 29.226 1.495 1.00 0.00 C ATOM 155 OE1 GLU A 14 7.852 29.859 1.337 1.00 0.00 O ATOM 156 OE2 GLU A 14 5.909 29.558 2.319 1.00 0.00 O ATOM 0 H GLU A 14 8.419 27.984 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 14 8.086 26.209 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.996 28.784 -0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.388 28.616 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.476 27.807 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.992 27.127 1.133 1.00 0.00 H new ATOM 163 N ILE A 15 5.639 26.443 -2.863 1.00 0.00 N ATOM 164 CA ILE A 15 4.435 25.783 -3.350 1.00 0.00 C ATOM 165 C ILE A 15 4.729 24.348 -3.774 1.00 0.00 C ATOM 166 O ILE A 15 3.882 23.465 -3.641 1.00 0.00 O ATOM 167 CB ILE A 15 3.818 26.541 -4.540 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.308 26.304 -4.597 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.478 26.110 -5.842 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.623 27.036 -5.730 1.00 0.00 C ATOM 0 H ILE A 15 5.932 27.248 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 15 3.723 25.778 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 15 3.993 27.608 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.120 25.235 -4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.864 26.617 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.031 26.654 -6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.545 26.327 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.331 25.040 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.555 26.821 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.780 28.109 -5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.040 26.706 -6.681 1.00 0.00 H new ATOM 182 N GLU A 16 5.936 24.122 -4.284 1.00 0.00 N ATOM 183 CA GLU A 16 6.342 22.793 -4.726 1.00 0.00 C ATOM 184 C GLU A 16 6.678 21.903 -3.534 1.00 0.00 C ATOM 185 O GLU A 16 6.358 20.713 -3.523 1.00 0.00 O ATOM 186 CB GLU A 16 7.548 22.889 -5.662 1.00 0.00 C ATOM 187 CG GLU A 16 7.413 23.972 -6.721 1.00 0.00 C ATOM 188 CD GLU A 16 8.161 23.636 -7.997 1.00 0.00 C ATOM 189 OE1 GLU A 16 8.341 22.434 -8.280 1.00 0.00 O ATOM 190 OE2 GLU A 16 8.565 24.577 -8.712 1.00 0.00 O ATOM 0 H GLU A 16 6.649 24.842 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 16 5.507 22.347 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.443 23.081 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.693 21.927 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.358 24.121 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.788 24.914 -6.322 1.00 0.00 H new ATOM 197 N THR A 17 7.328 22.486 -2.532 1.00 0.00 N ATOM 198 CA THR A 17 7.710 21.746 -1.335 1.00 0.00 C ATOM 199 C THR A 17 6.484 21.297 -0.550 1.00 0.00 C ATOM 200 O THR A 17 6.471 20.214 0.035 1.00 0.00 O ATOM 201 CB THR A 17 8.613 22.592 -0.417 1.00 0.00 C ATOM 202 OG1 THR A 17 9.898 22.772 -1.023 1.00 0.00 O ATOM 203 CG2 THR A 17 8.776 21.927 0.942 1.00 0.00 C ATOM 0 H THR A 17 7.601 23.469 -2.525 1.00 0.00 H new ATOM 0 HA THR A 17 8.264 20.869 -1.669 1.00 0.00 H new ATOM 0 HB THR A 17 8.140 23.564 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.846 23.484 -1.695 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.417 22.542 1.573 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.799 21.818 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.228 20.944 0.814 1.00 0.00 H new ATOM 211 N LEU A 18 5.453 22.135 -0.542 1.00 0.00 N ATOM 212 CA LEU A 18 4.219 21.824 0.170 1.00 0.00 C ATOM 213 C LEU A 18 3.542 20.594 -0.424 1.00 0.00 C ATOM 214 O LEU A 18 3.065 19.723 0.304 1.00 0.00 O ATOM 215 CB LEU A 18 3.264 23.019 0.122 1.00 0.00 C ATOM 216 CG LEU A 18 3.500 24.109 1.168 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.569 25.288 0.930 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.309 23.552 2.572 1.00 0.00 C ATOM 0 H LEU A 18 5.448 23.036 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 18 4.472 21.610 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.330 23.472 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.245 22.649 0.235 1.00 0.00 H new ATOM 0 HG LEU A 18 4.528 24.459 1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.751 26.054 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.754 25.703 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.534 24.953 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.481 24.342 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.292 23.174 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.017 22.741 2.741 1.00 0.00 H new ATOM 230 N ARG A 19 3.506 20.527 -1.750 1.00 0.00 N ATOM 231 CA ARG A 19 2.888 19.402 -2.443 1.00 0.00 C ATOM 232 C ARG A 19 3.560 18.089 -2.054 1.00 0.00 C ATOM 233 O ARG A 19 2.898 17.066 -1.883 1.00 0.00 O ATOM 234 CB ARG A 19 2.971 19.600 -3.958 1.00 0.00 C ATOM 235 CG ARG A 19 1.953 20.590 -4.499 1.00 0.00 C ATOM 236 CD ARG A 19 2.237 20.943 -5.951 1.00 0.00 C ATOM 237 NE ARG A 19 1.407 22.051 -6.417 1.00 0.00 N ATOM 238 CZ ARG A 19 1.611 22.689 -7.563 1.00 0.00 C ATOM 239 NH1 ARG A 19 2.612 22.333 -8.357 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.813 23.688 -7.919 1.00 0.00 N ATOM 0 H ARG A 19 3.898 21.239 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 19 1.840 19.356 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.973 19.944 -4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.827 18.638 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.952 20.167 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.968 21.496 -3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.289 21.207 -6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.060 20.069 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 19 0.629 22.351 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.229 21.566 -8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.765 22.826 -9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.042 23.966 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.971 24.178 -8.800 1.00 0.00 H new ATOM 254 N LYS A 20 4.881 18.125 -1.914 1.00 0.00 N ATOM 255 CA LYS A 20 5.645 16.940 -1.543 1.00 0.00 C ATOM 256 C LYS A 20 5.300 16.490 -0.127 1.00 0.00 C ATOM 257 O LYS A 20 4.963 15.328 0.102 1.00 0.00 O ATOM 258 CB LYS A 20 7.145 17.220 -1.650 1.00 0.00 C ATOM 259 CG LYS A 20 7.729 16.897 -3.014 1.00 0.00 C ATOM 260 CD LYS A 20 7.667 18.096 -3.946 1.00 0.00 C ATOM 261 CE LYS A 20 8.791 18.065 -4.970 1.00 0.00 C ATOM 262 NZ LYS A 20 8.411 18.762 -6.230 1.00 0.00 N ATOM 0 H LYS A 20 5.445 18.963 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 20 5.382 16.139 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.327 18.271 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.670 16.638 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.765 16.576 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.184 16.063 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.706 18.109 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.730 19.015 -3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.680 18.535 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.052 17.030 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.203 18.719 -6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.578 18.298 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.186 19.756 -6.023 1.00 0.00 H new ATOM 276 N THR A 21 5.384 17.419 0.821 1.00 0.00 N ATOM 277 CA THR A 21 5.081 17.118 2.214 1.00 0.00 C ATOM 278 C THR A 21 3.718 16.450 2.349 1.00 0.00 C ATOM 279 O THR A 21 3.580 15.428 3.019 1.00 0.00 O ATOM 280 CB THR A 21 5.104 18.392 3.081 1.00 0.00 C ATOM 281 OG1 THR A 21 6.335 19.097 2.883 1.00 0.00 O ATOM 282 CG2 THR A 21 4.942 18.047 4.554 1.00 0.00 C ATOM 0 H THR A 21 5.659 18.386 0.649 1.00 0.00 H new ATOM 0 HA THR A 21 5.854 16.434 2.565 1.00 0.00 H new ATOM 0 HB THR A 21 4.270 19.026 2.779 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.302 19.581 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.961 18.962 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.991 17.537 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.758 17.395 4.867 1.00 0.00 H new ATOM 290 N VAL A 22 2.712 17.035 1.704 1.00 0.00 N ATOM 291 CA VAL A 22 1.359 16.495 1.751 1.00 0.00 C ATOM 292 C VAL A 22 1.281 15.143 1.049 1.00 0.00 C ATOM 293 O VAL A 22 0.584 14.236 1.502 1.00 0.00 O ATOM 294 CB VAL A 22 0.348 17.457 1.100 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.060 16.885 1.177 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.413 18.826 1.761 1.00 0.00 C ATOM 0 H VAL A 22 2.809 17.882 1.144 1.00 0.00 H new ATOM 0 HA VAL A 22 1.105 16.370 2.804 1.00 0.00 H new ATOM 0 HB VAL A 22 0.610 17.574 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.760 17.579 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.094 15.930 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.336 16.736 2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.308 19.493 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.178 18.730 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.416 19.237 1.648 1.00 0.00 H new ATOM 306 N GLU A 23 2.004 15.017 -0.060 1.00 0.00 N ATOM 307 CA GLU A 23 2.017 13.776 -0.824 1.00 0.00 C ATOM 308 C GLU A 23 2.451 12.603 0.049 1.00 0.00 C ATOM 309 O GLU A 23 1.889 11.510 -0.034 1.00 0.00 O ATOM 310 CB GLU A 23 2.952 13.902 -2.029 1.00 0.00 C ATOM 311 CG GLU A 23 2.265 14.418 -3.282 1.00 0.00 C ATOM 312 CD GLU A 23 3.095 14.206 -4.533 1.00 0.00 C ATOM 313 OE1 GLU A 23 4.078 14.952 -4.727 1.00 0.00 O ATOM 314 OE2 GLU A 23 2.762 13.293 -5.318 1.00 0.00 O ATOM 0 H GLU A 23 2.587 15.758 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 23 1.003 13.588 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.773 14.572 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.391 12.927 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.305 13.915 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.056 15.481 -3.165 1.00 0.00 H new ATOM 321 N ASP A 24 3.456 12.837 0.887 1.00 0.00 N ATOM 322 CA ASP A 24 3.967 11.801 1.777 1.00 0.00 C ATOM 323 C ASP A 24 2.949 11.469 2.864 1.00 0.00 C ATOM 324 O ASP A 24 2.662 10.300 3.124 1.00 0.00 O ATOM 325 CB ASP A 24 5.283 12.248 2.413 1.00 0.00 C ATOM 326 CG ASP A 24 6.205 11.084 2.717 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.443 10.262 1.808 1.00 0.00 O ATOM 328 OD2 ASP A 24 6.689 10.996 3.864 1.00 0.00 O ATOM 0 H ASP A 24 3.933 13.735 0.968 1.00 0.00 H new ATOM 0 HA ASP A 24 4.146 10.904 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.789 12.943 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.072 12.790 3.335 1.00 0.00 H new ATOM 333 N TYR A 25 2.409 12.504 3.497 1.00 0.00 N ATOM 334 CA TYR A 25 1.426 12.322 4.559 1.00 0.00 C ATOM 335 C TYR A 25 0.386 11.277 4.166 1.00 0.00 C ATOM 336 O TYR A 25 0.272 10.228 4.802 1.00 0.00 O ATOM 337 CB TYR A 25 0.735 13.650 4.876 1.00 0.00 C ATOM 338 CG TYR A 25 0.218 13.739 6.294 1.00 0.00 C ATOM 339 CD1 TYR A 25 1.075 14.025 7.350 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.127 13.538 6.578 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.608 14.108 8.647 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.603 13.619 7.872 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.732 13.905 8.903 1.00 0.00 C ATOM 344 OH TYR A 25 -1.203 13.986 10.194 1.00 0.00 O ATOM 0 H TYR A 25 2.635 13.478 3.294 1.00 0.00 H new ATOM 0 HA TYR A 25 1.950 11.971 5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.437 14.466 4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.096 13.792 4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.125 14.185 7.153 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.812 13.315 5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.288 14.331 9.456 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.652 13.459 8.076 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.162 13.787 10.205 1.00 0.00 H new ATOM 354 N PHE A 26 -0.369 11.569 3.113 1.00 0.00 N ATOM 355 CA PHE A 26 -1.400 10.657 2.634 1.00 0.00 C ATOM 356 C PHE A 26 -0.891 9.218 2.624 1.00 0.00 C ATOM 357 O PHE A 26 -1.625 8.285 2.953 1.00 0.00 O ATOM 358 CB PHE A 26 -1.855 11.058 1.229 1.00 0.00 C ATOM 359 CG PHE A 26 -2.633 12.341 1.195 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.663 12.567 2.094 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.335 13.323 0.264 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.381 13.747 2.065 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.049 14.506 0.230 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.075 14.718 1.132 1.00 0.00 C ATOM 0 H PHE A 26 -0.286 12.431 2.574 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.249 10.720 3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.980 11.156 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.469 10.259 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.907 11.812 2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.535 13.162 -0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.181 13.910 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.806 15.264 -0.500 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.636 15.641 1.107 1.00 0.00 H new ATOM 374 N CYS A 27 0.370 9.046 2.244 1.00 0.00 N ATOM 375 CA CYS A 27 0.978 7.721 2.189 1.00 0.00 C ATOM 376 C CYS A 27 1.084 7.114 3.584 1.00 0.00 C ATOM 377 O CYS A 27 0.748 5.948 3.792 1.00 0.00 O ATOM 378 CB CYS A 27 2.365 7.800 1.549 1.00 0.00 C ATOM 379 SG CYS A 27 2.404 8.709 -0.014 1.00 0.00 S ATOM 0 H CYS A 27 0.991 9.807 1.969 1.00 0.00 H new ATOM 0 HA CYS A 27 0.340 7.080 1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.051 8.275 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.733 6.788 1.378 1.00 0.00 H new ATOM 0 HG CYS A 27 2.017 9.934 0.187 1.00 0.00 H new ATOM 385 N PHE A 28 1.554 7.911 4.538 1.00 0.00 N ATOM 386 CA PHE A 28 1.706 7.452 5.913 1.00 0.00 C ATOM 387 C PHE A 28 0.379 6.937 6.465 1.00 0.00 C ATOM 388 O PHE A 28 0.273 5.783 6.882 1.00 0.00 O ATOM 389 CB PHE A 28 2.234 8.583 6.797 1.00 0.00 C ATOM 390 CG PHE A 28 1.901 8.415 8.252 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.552 7.463 9.018 1.00 0.00 C ATOM 392 CD2 PHE A 28 0.936 9.208 8.851 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.247 7.305 10.358 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.627 9.054 10.190 1.00 0.00 C ATOM 395 CZ PHE A 28 1.283 8.101 10.943 1.00 0.00 C ATOM 0 H PHE A 28 1.836 8.879 4.383 1.00 0.00 H new ATOM 0 HA PHE A 28 2.424 6.632 5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.317 8.645 6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.823 9.529 6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.306 6.837 8.564 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.419 9.955 8.266 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.762 6.560 10.946 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.127 9.679 10.646 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.042 7.978 11.989 1.00 0.00 H new ATOM 405 N CYS A 29 -0.629 7.802 6.465 1.00 0.00 N ATOM 406 CA CYS A 29 -1.949 7.438 6.967 1.00 0.00 C ATOM 407 C CYS A 29 -2.465 6.179 6.275 1.00 0.00 C ATOM 408 O CYS A 29 -3.059 5.308 6.910 1.00 0.00 O ATOM 409 CB CYS A 29 -2.933 8.589 6.758 1.00 0.00 C ATOM 410 SG CYS A 29 -2.601 10.039 7.784 1.00 0.00 S ATOM 0 H CYS A 29 -0.557 8.760 6.123 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.861 7.235 8.034 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.910 8.886 5.710 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.942 8.233 6.967 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.470 9.881 8.406 1.00 0.00 H new ATOM 416 N TYR A 30 -2.235 6.092 4.969 1.00 0.00 N ATOM 417 CA TYR A 30 -2.680 4.944 4.190 1.00 0.00 C ATOM 418 C TYR A 30 -1.968 3.672 4.639 1.00 0.00 C ATOM 419 O TYR A 30 -2.590 2.755 5.176 1.00 0.00 O ATOM 420 CB TYR A 30 -2.429 5.183 2.700 1.00 0.00 C ATOM 421 CG TYR A 30 -2.926 4.063 1.814 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.175 3.490 2.020 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.145 3.575 0.773 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.632 2.466 1.214 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.595 2.552 -0.039 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.839 2.000 0.186 1.00 0.00 C ATOM 427 OH TYR A 30 -4.290 0.980 -0.620 1.00 0.00 O ATOM 0 H TYR A 30 -1.743 6.803 4.428 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.750 4.818 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.915 6.112 2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.359 5.316 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.799 3.852 2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.169 4.003 0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.606 2.032 1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.976 2.187 -0.845 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.611 0.772 -1.295 1.00 0.00 H new ATOM 437 N GLY A 31 -0.659 3.624 4.417 1.00 0.00 N ATOM 438 CA GLY A 31 0.119 2.462 4.806 1.00 0.00 C ATOM 439 C GLY A 31 0.008 2.158 6.286 1.00 0.00 C ATOM 440 O GLY A 31 0.152 1.010 6.705 1.00 0.00 O ATOM 0 H GLY A 31 -0.122 4.370 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.216 1.596 4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.166 2.627 4.550 1.00 0.00 H new ATOM 444 N LYS A 32 -0.246 3.191 7.083 1.00 0.00 N ATOM 445 CA LYS A 32 -0.375 3.031 8.526 1.00 0.00 C ATOM 446 C LYS A 32 -1.656 2.284 8.878 1.00 0.00 C ATOM 447 O LYS A 32 -1.660 1.418 9.753 1.00 0.00 O ATOM 448 CB LYS A 32 -0.364 4.399 9.214 1.00 0.00 C ATOM 449 CG LYS A 32 -0.972 4.384 10.606 1.00 0.00 C ATOM 450 CD LYS A 32 -2.466 4.662 10.564 1.00 0.00 C ATOM 451 CE LYS A 32 -2.940 5.351 11.835 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.856 6.833 11.728 1.00 0.00 N ATOM 0 H LYS A 32 -0.367 4.149 6.753 1.00 0.00 H new ATOM 0 HA LYS A 32 0.474 2.446 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.664 4.755 9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.910 5.112 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.794 3.415 11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.479 5.131 11.228 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.697 5.288 9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.008 3.726 10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.970 5.060 12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.337 5.013 12.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.188 7.264 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.870 7.113 11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.452 7.159 10.940 1.00 0.00 H new ATOM 466 N ALA A 33 -2.742 2.622 8.190 1.00 0.00 N ATOM 467 CA ALA A 33 -4.029 1.980 8.428 1.00 0.00 C ATOM 468 C ALA A 33 -4.025 0.540 7.925 1.00 0.00 C ATOM 469 O ALA A 33 -4.748 -0.311 8.444 1.00 0.00 O ATOM 470 CB ALA A 33 -5.145 2.771 7.762 1.00 0.00 C ATOM 0 H ALA A 33 -2.756 3.337 7.463 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.205 1.961 9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.100 2.280 7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.170 3.781 8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.965 2.820 6.688 1.00 0.00 H new ATOM 476 N LEU A 34 -3.207 0.274 6.913 1.00 0.00 N ATOM 477 CA LEU A 34 -3.109 -1.063 6.339 1.00 0.00 C ATOM 478 C LEU A 34 -2.541 -2.051 7.353 1.00 0.00 C ATOM 479 O LEU A 34 -2.916 -3.223 7.372 1.00 0.00 O ATOM 480 CB LEU A 34 -2.232 -1.040 5.087 1.00 0.00 C ATOM 481 CG LEU A 34 -2.951 -0.747 3.769 1.00 0.00 C ATOM 482 CD1 LEU A 34 -1.954 -0.340 2.696 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.754 -1.959 3.320 1.00 0.00 C ATOM 0 H LEU A 34 -2.602 0.967 6.473 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.113 -1.388 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.453 -0.291 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.734 -2.005 4.999 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.640 0.082 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.484 -0.136 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.422 0.556 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.240 -1.148 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.259 -1.733 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.084 -2.807 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.495 -2.206 4.080 1.00 0.00 H new ATOM 495 N GLY A 35 -1.635 -1.568 8.199 1.00 0.00 N ATOM 496 CA GLY A 35 -1.031 -2.420 9.206 1.00 0.00 C ATOM 497 C GLY A 35 0.356 -2.890 8.812 1.00 0.00 C ATOM 498 O GLY A 35 0.816 -3.939 9.263 1.00 0.00 O ATOM 0 H GLY A 35 -1.309 -0.602 8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.973 -1.877 10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.670 -3.286 9.376 1.00 0.00 H new ATOM 502 N LYS A 36 1.024 -2.113 7.967 1.00 0.00 N ATOM 503 CA LYS A 36 2.366 -2.453 7.511 1.00 0.00 C ATOM 504 C LYS A 36 3.423 -1.737 8.346 1.00 0.00 C ATOM 505 O LYS A 36 3.097 -0.977 9.258 1.00 0.00 O ATOM 506 CB LYS A 36 2.535 -2.088 6.034 1.00 0.00 C ATOM 507 CG LYS A 36 1.377 -2.540 5.160 1.00 0.00 C ATOM 508 CD LYS A 36 1.852 -2.960 3.779 1.00 0.00 C ATOM 509 CE LYS A 36 2.045 -1.758 2.867 1.00 0.00 C ATOM 510 NZ LYS A 36 2.957 -2.064 1.732 1.00 0.00 N ATOM 0 H LYS A 36 0.657 -1.242 7.583 1.00 0.00 H new ATOM 0 HA LYS A 36 2.500 -3.528 7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.646 -1.007 5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.457 -2.534 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.863 -3.374 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.653 -1.731 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.791 -3.506 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.127 -3.642 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.078 -1.437 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.449 -0.926 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.772 -1.419 1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.290 -3.046 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.447 -1.941 0.834 1.00 0.00 H new ATOM 524 N SER A 37 4.690 -1.985 8.029 1.00 0.00 N ATOM 525 CA SER A 37 5.794 -1.365 8.751 1.00 0.00 C ATOM 526 C SER A 37 6.470 -0.296 7.898 1.00 0.00 C ATOM 527 O SER A 37 7.512 0.246 8.270 1.00 0.00 O ATOM 528 CB SER A 37 6.817 -2.424 9.168 1.00 0.00 C ATOM 529 OG SER A 37 7.883 -1.843 9.899 1.00 0.00 O ATOM 0 H SER A 37 4.977 -2.611 7.277 1.00 0.00 H new ATOM 0 HA SER A 37 5.389 -0.889 9.644 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.329 -3.187 9.775 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.209 -2.924 8.282 1.00 0.00 H new ATOM 0 HG SER A 37 7.996 -0.909 9.625 1.00 0.00 H new ATOM 535 N THR A 38 5.870 0.003 6.750 1.00 0.00 N ATOM 536 CA THR A 38 6.413 1.005 5.842 1.00 0.00 C ATOM 537 C THR A 38 5.303 1.852 5.230 1.00 0.00 C ATOM 538 O THR A 38 4.122 1.518 5.336 1.00 0.00 O ATOM 539 CB THR A 38 7.230 0.355 4.711 1.00 0.00 C ATOM 540 OG1 THR A 38 6.402 -0.540 3.961 1.00 0.00 O ATOM 541 CG2 THR A 38 8.424 -0.402 5.271 1.00 0.00 C ATOM 0 H THR A 38 5.007 -0.435 6.427 1.00 0.00 H new ATOM 0 HA THR A 38 7.070 1.644 6.433 1.00 0.00 H new ATOM 0 HB THR A 38 7.596 1.146 4.057 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.929 -0.948 3.242 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.986 -0.852 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.068 0.287 5.817 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.075 -1.184 5.945 1.00 0.00 H new ATOM 549 N VAL A 39 5.688 2.950 4.588 1.00 0.00 N ATOM 550 CA VAL A 39 4.725 3.844 3.957 1.00 0.00 C ATOM 551 C VAL A 39 4.285 3.307 2.599 1.00 0.00 C ATOM 552 O VAL A 39 5.053 2.645 1.902 1.00 0.00 O ATOM 553 CB VAL A 39 5.308 5.258 3.772 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.053 6.106 5.010 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.795 5.184 3.463 1.00 0.00 C ATOM 0 H VAL A 39 6.661 3.242 4.491 1.00 0.00 H new ATOM 0 HA VAL A 39 3.862 3.899 4.621 1.00 0.00 H new ATOM 0 HB VAL A 39 4.808 5.732 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.472 7.101 4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.980 6.186 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.525 5.639 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.191 6.192 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.314 4.692 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.948 4.615 2.546 1.00 0.00 H new ATOM 565 N VAL A 40 3.041 3.599 2.229 1.00 0.00 N ATOM 566 CA VAL A 40 2.498 3.147 0.952 1.00 0.00 C ATOM 567 C VAL A 40 1.919 4.312 0.159 1.00 0.00 C ATOM 568 O VAL A 40 1.207 5.164 0.690 1.00 0.00 O ATOM 569 CB VAL A 40 1.404 2.083 1.155 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.804 1.673 -0.181 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.966 0.874 1.889 1.00 0.00 C ATOM 0 H VAL A 40 2.391 4.146 2.794 1.00 0.00 H new ATOM 0 HA VAL A 40 3.324 2.707 0.393 1.00 0.00 H new ATOM 0 HB VAL A 40 0.611 2.514 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.033 0.920 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.364 2.545 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.585 1.260 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.179 0.132 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.778 0.440 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.344 1.183 2.864 1.00 0.00 H new ATOM 581 N PRO A 41 2.228 4.352 -1.145 1.00 0.00 N ATOM 582 CA PRO A 41 1.748 5.407 -2.041 1.00 0.00 C ATOM 583 C PRO A 41 0.248 5.309 -2.300 1.00 0.00 C ATOM 584 O PRO A 41 -0.241 4.296 -2.801 1.00 0.00 O ATOM 585 CB PRO A 41 2.530 5.159 -3.334 1.00 0.00 C ATOM 586 CG PRO A 41 2.873 3.710 -3.297 1.00 0.00 C ATOM 587 CD PRO A 41 3.072 3.368 -1.846 1.00 0.00 C ATOM 0 HA PRO A 41 1.900 6.400 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.931 5.402 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.427 5.777 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.075 3.109 -3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.776 3.508 -3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.763 2.346 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.118 3.454 -1.553 1.00 0.00 H new ATOM 595 N VAL A 42 -0.478 6.368 -1.958 1.00 0.00 N ATOM 596 CA VAL A 42 -1.922 6.402 -2.154 1.00 0.00 C ATOM 597 C VAL A 42 -2.275 6.400 -3.636 1.00 0.00 C ATOM 598 O VAL A 42 -2.017 7.359 -4.364 1.00 0.00 O ATOM 599 CB VAL A 42 -2.549 7.642 -1.491 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.057 7.653 -1.696 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.206 7.686 -0.009 1.00 0.00 C ATOM 0 H VAL A 42 -0.089 7.215 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.326 5.505 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.134 8.532 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.482 8.537 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.279 7.673 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.491 6.757 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.658 8.569 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.591 6.791 0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.124 7.729 0.113 1.00 0.00 H new ATOM 611 N PRO A 43 -2.880 5.295 -4.099 1.00 0.00 N ATOM 612 CA PRO A 43 -3.283 5.141 -5.499 1.00 0.00 C ATOM 613 C PRO A 43 -4.446 6.052 -5.872 1.00 0.00 C ATOM 614 O PRO A 43 -5.597 5.617 -5.928 1.00 0.00 O ATOM 615 CB PRO A 43 -3.706 3.672 -5.587 1.00 0.00 C ATOM 616 CG PRO A 43 -4.107 3.309 -4.199 1.00 0.00 C ATOM 617 CD PRO A 43 -3.218 4.112 -3.289 1.00 0.00 C ATOM 0 HA PRO A 43 -2.480 5.410 -6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.532 3.539 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.887 3.045 -5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.157 3.541 -4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.982 2.240 -4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.731 4.389 -2.368 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.327 3.553 -3.002 1.00 0.00 H new ATOM 625 N TYR A 44 -4.140 7.320 -6.127 1.00 0.00 N ATOM 626 CA TYR A 44 -5.162 8.295 -6.493 1.00 0.00 C ATOM 627 C TYR A 44 -6.082 7.738 -7.574 1.00 0.00 C ATOM 628 O TYR A 44 -7.246 7.431 -7.317 1.00 0.00 O ATOM 629 CB TYR A 44 -4.509 9.590 -6.979 1.00 0.00 C ATOM 630 CG TYR A 44 -3.744 10.323 -5.901 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.402 11.132 -4.982 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.363 10.207 -5.801 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.706 11.805 -3.996 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.659 10.876 -4.817 1.00 0.00 C ATOM 635 CZ TYR A 44 -2.335 11.673 -3.918 1.00 0.00 C ATOM 636 OH TYR A 44 -1.639 12.341 -2.937 1.00 0.00 O ATOM 0 H TYR A 44 -3.193 7.697 -6.087 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.760 8.508 -5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.831 9.359 -7.801 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.280 10.249 -7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.475 11.236 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.830 9.584 -6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.232 12.431 -3.290 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.586 10.775 -4.753 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.190 12.402 -2.129 1.00 0.00 H new ATOM 646 N GLU A 45 -5.551 7.611 -8.787 1.00 0.00 N ATOM 647 CA GLU A 45 -6.325 7.092 -9.908 1.00 0.00 C ATOM 648 C GLU A 45 -7.394 6.116 -9.426 1.00 0.00 C ATOM 649 O GLU A 45 -8.587 6.330 -9.640 1.00 0.00 O ATOM 650 CB GLU A 45 -5.404 6.401 -10.915 1.00 0.00 C ATOM 651 CG GLU A 45 -6.139 5.503 -11.896 1.00 0.00 C ATOM 652 CD GLU A 45 -6.761 6.276 -13.042 1.00 0.00 C ATOM 653 OE1 GLU A 45 -6.080 7.161 -13.601 1.00 0.00 O ATOM 654 OE2 GLU A 45 -7.932 5.998 -13.380 1.00 0.00 O ATOM 0 H GLU A 45 -4.589 7.860 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.819 7.932 -10.395 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.854 7.160 -11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.668 5.807 -10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.445 4.764 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.919 4.955 -11.367 1.00 0.00 H new ATOM 661 N LYS A 46 -6.958 5.042 -8.776 1.00 0.00 N ATOM 662 CA LYS A 46 -7.874 4.033 -8.263 1.00 0.00 C ATOM 663 C LYS A 46 -8.845 4.640 -7.256 1.00 0.00 C ATOM 664 O LYS A 46 -10.030 4.312 -7.245 1.00 0.00 O ATOM 665 CB LYS A 46 -7.094 2.891 -7.609 1.00 0.00 C ATOM 666 CG LYS A 46 -6.309 2.045 -8.598 1.00 0.00 C ATOM 667 CD LYS A 46 -5.940 0.694 -8.009 1.00 0.00 C ATOM 668 CE LYS A 46 -4.567 0.728 -7.356 1.00 0.00 C ATOM 669 NZ LYS A 46 -3.491 0.344 -8.312 1.00 0.00 N ATOM 0 H LYS A 46 -5.973 4.849 -8.592 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.447 3.640 -9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.406 3.307 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.790 2.250 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.900 1.899 -9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.403 2.574 -8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.688 0.401 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.952 -0.062 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.372 1.729 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.554 0.051 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.570 0.379 -7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.664 -0.621 -8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.487 1.005 -9.115 1.00 0.00 H new ATOM 683 N MET A 47 -8.334 5.531 -6.411 1.00 0.00 N ATOM 684 CA MET A 47 -9.157 6.187 -5.402 1.00 0.00 C ATOM 685 C MET A 47 -10.229 7.054 -6.053 1.00 0.00 C ATOM 686 O MET A 47 -11.409 6.960 -5.715 1.00 0.00 O ATOM 687 CB MET A 47 -8.285 7.040 -4.478 1.00 0.00 C ATOM 688 CG MET A 47 -7.754 6.281 -3.272 1.00 0.00 C ATOM 689 SD MET A 47 -9.012 6.018 -2.007 1.00 0.00 S ATOM 690 CE MET A 47 -8.816 7.500 -1.021 1.00 0.00 C ATOM 0 H MET A 47 -7.354 5.815 -6.406 1.00 0.00 H new ATOM 0 HA MET A 47 -9.650 5.414 -4.813 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.444 7.435 -5.048 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.865 7.896 -4.132 1.00 0.00 H new ATOM 0 HG2 MET A 47 -7.364 5.316 -3.597 1.00 0.00 H new ATOM 0 HG3 MET A 47 -6.919 6.832 -2.839 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.995 7.265 0.028 1.00 0.00 H new ATOM 0 HE2 MET A 47 -7.803 7.884 -1.139 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.531 8.254 -1.351 1.00 0.00 H new ATOM 700 N LEU A 48 -9.810 7.897 -6.991 1.00 0.00 N ATOM 701 CA LEU A 48 -10.735 8.782 -7.691 1.00 0.00 C ATOM 702 C LEU A 48 -11.920 8.001 -8.250 1.00 0.00 C ATOM 703 O LEU A 48 -13.053 8.484 -8.249 1.00 0.00 O ATOM 704 CB LEU A 48 -10.013 9.514 -8.823 1.00 0.00 C ATOM 705 CG LEU A 48 -8.623 10.056 -8.492 1.00 0.00 C ATOM 706 CD1 LEU A 48 -7.983 10.676 -9.725 1.00 0.00 C ATOM 707 CD2 LEU A 48 -8.702 11.074 -7.363 1.00 0.00 C ATOM 0 H LEU A 48 -8.837 7.986 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.111 9.513 -6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.924 8.834 -9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.638 10.346 -9.147 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.000 9.224 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.994 11.056 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.891 9.921 -10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.605 11.496 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.703 11.449 -7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.342 11.903 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.118 10.600 -6.474 1.00 0.00 H new ATOM 719 N ARG A 49 -11.651 6.788 -8.725 1.00 0.00 N ATOM 720 CA ARG A 49 -12.694 5.939 -9.287 1.00 0.00 C ATOM 721 C ARG A 49 -13.318 5.059 -8.207 1.00 0.00 C ATOM 722 O ARG A 49 -14.475 4.654 -8.315 1.00 0.00 O ATOM 723 CB ARG A 49 -12.124 5.065 -10.405 1.00 0.00 C ATOM 724 CG ARG A 49 -11.700 3.681 -9.941 1.00 0.00 C ATOM 725 CD ARG A 49 -11.002 2.912 -11.051 1.00 0.00 C ATOM 726 NE ARG A 49 -11.948 2.179 -11.888 1.00 0.00 N ATOM 727 CZ ARG A 49 -11.623 1.622 -13.049 1.00 0.00 C ATOM 728 NH1 ARG A 49 -10.383 1.712 -13.508 1.00 0.00 N ATOM 729 NH2 ARG A 49 -12.541 0.972 -13.754 1.00 0.00 N ATOM 0 H ARG A 49 -10.720 6.372 -8.731 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.469 6.584 -9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.872 4.962 -11.191 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.265 5.570 -10.847 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.032 3.772 -9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.575 3.124 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.433 3.606 -11.670 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.288 2.214 -10.615 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.911 2.090 -11.563 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.675 2.210 -12.969 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.137 1.283 -14.400 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.496 0.900 -13.404 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.291 0.544 -14.646 1.00 0.00 H new ATOM 743 N ASP A 50 -12.544 4.767 -7.168 1.00 0.00 N ATOM 744 CA ASP A 50 -13.019 3.936 -6.069 1.00 0.00 C ATOM 745 C ASP A 50 -12.635 4.543 -4.723 1.00 0.00 C ATOM 746 O ASP A 50 -11.689 4.095 -4.076 1.00 0.00 O ATOM 747 CB ASP A 50 -12.448 2.522 -6.186 1.00 0.00 C ATOM 748 CG ASP A 50 -13.321 1.487 -5.505 1.00 0.00 C ATOM 749 OD1 ASP A 50 -13.715 1.715 -4.342 1.00 0.00 O ATOM 750 OD2 ASP A 50 -13.610 0.448 -6.134 1.00 0.00 O ATOM 0 H ASP A 50 -11.584 5.094 -7.064 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.106 3.886 -6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.338 2.264 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.451 2.498 -5.746 1.00 0.00 H new ATOM 755 N GLN A 51 -13.376 5.566 -4.308 1.00 0.00 N ATOM 756 CA GLN A 51 -13.111 6.235 -3.040 1.00 0.00 C ATOM 757 C GLN A 51 -13.523 5.356 -1.864 1.00 0.00 C ATOM 758 O GLN A 51 -12.825 5.287 -0.853 1.00 0.00 O ATOM 759 CB GLN A 51 -13.855 7.570 -2.978 1.00 0.00 C ATOM 760 CG GLN A 51 -13.514 8.509 -4.124 1.00 0.00 C ATOM 761 CD GLN A 51 -13.807 9.960 -3.796 1.00 0.00 C ATOM 762 OE1 GLN A 51 -14.619 10.259 -2.919 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.144 10.872 -4.499 1.00 0.00 N ATOM 0 H GLN A 51 -14.164 5.949 -4.831 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.039 6.421 -2.974 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.928 7.379 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.623 8.063 -2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.458 8.403 -4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.082 8.218 -5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.480 10.580 -5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.299 11.864 -4.321 1.00 0.00 H new ATOM 772 N SER A 52 -14.662 4.685 -2.003 1.00 0.00 N ATOM 773 CA SER A 52 -15.169 3.813 -0.951 1.00 0.00 C ATOM 774 C SER A 52 -14.045 2.970 -0.355 1.00 0.00 C ATOM 775 O SER A 52 -13.797 3.011 0.850 1.00 0.00 O ATOM 776 CB SER A 52 -16.268 2.901 -1.500 1.00 0.00 C ATOM 777 OG SER A 52 -16.953 3.519 -2.576 1.00 0.00 O ATOM 0 H SER A 52 -15.251 4.729 -2.835 1.00 0.00 H new ATOM 0 HA SER A 52 -15.587 4.441 -0.164 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.831 1.961 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.974 2.659 -0.706 1.00 0.00 H new ATOM 0 HG SER A 52 -17.649 2.916 -2.910 1.00 0.00 H new ATOM 783 N ALA A 53 -13.370 2.207 -1.207 1.00 0.00 N ATOM 784 CA ALA A 53 -12.271 1.357 -0.766 1.00 0.00 C ATOM 785 C ALA A 53 -11.517 1.994 0.396 1.00 0.00 C ATOM 786 O ALA A 53 -11.104 1.308 1.332 1.00 0.00 O ATOM 787 CB ALA A 53 -11.323 1.077 -1.922 1.00 0.00 C ATOM 0 H ALA A 53 -13.565 2.160 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.691 0.413 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.507 0.441 -1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.864 0.572 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.917 2.017 -2.296 1.00 0.00 H new ATOM 793 N VAL A 54 -11.338 3.309 0.331 1.00 0.00 N ATOM 794 CA VAL A 54 -10.633 4.039 1.378 1.00 0.00 C ATOM 795 C VAL A 54 -11.172 5.458 1.517 1.00 0.00 C ATOM 796 O VAL A 54 -11.127 6.246 0.572 1.00 0.00 O ATOM 797 CB VAL A 54 -9.120 4.100 1.097 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.372 4.619 2.316 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.599 2.732 0.685 1.00 0.00 C ATOM 0 H VAL A 54 -11.672 3.892 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.800 3.498 2.309 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.949 4.792 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.304 4.655 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.727 5.620 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.548 3.954 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.528 2.794 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.781 2.017 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.113 2.404 -0.218 1.00 0.00 H new ATOM 809 N VAL A 55 -11.680 5.779 2.703 1.00 0.00 N ATOM 810 CA VAL A 55 -12.226 7.105 2.967 1.00 0.00 C ATOM 811 C VAL A 55 -11.189 8.004 3.631 1.00 0.00 C ATOM 812 O VAL A 55 -10.285 7.525 4.316 1.00 0.00 O ATOM 813 CB VAL A 55 -13.475 7.029 3.864 1.00 0.00 C ATOM 814 CG1 VAL A 55 -14.129 8.397 3.987 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.459 6.004 3.321 1.00 0.00 C ATOM 0 H VAL A 55 -11.725 5.139 3.496 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.506 7.530 2.003 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.167 6.710 4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.010 8.323 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.421 9.100 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.425 8.749 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.336 5.963 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.763 6.290 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.984 5.023 3.292 1.00 0.00 H new ATOM 825 N VAL A 56 -11.327 9.310 3.426 1.00 0.00 N ATOM 826 CA VAL A 56 -10.403 10.277 4.006 1.00 0.00 C ATOM 827 C VAL A 56 -11.139 11.278 4.889 1.00 0.00 C ATOM 828 O VAL A 56 -12.078 11.939 4.445 1.00 0.00 O ATOM 829 CB VAL A 56 -9.632 11.042 2.914 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.571 11.935 3.538 1.00 0.00 C ATOM 831 CG2 VAL A 56 -9.008 10.071 1.923 1.00 0.00 C ATOM 0 H VAL A 56 -12.070 9.723 2.862 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.694 9.713 4.613 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.335 11.676 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.036 12.468 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.047 12.654 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.869 11.324 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.467 10.629 1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.317 9.410 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.792 9.477 1.453 1.00 0.00 H new ATOM 841 N GLN A 57 -10.707 11.384 6.142 1.00 0.00 N ATOM 842 CA GLN A 57 -11.326 12.305 7.088 1.00 0.00 C ATOM 843 C GLN A 57 -10.335 13.375 7.533 1.00 0.00 C ATOM 844 O GLN A 57 -9.123 13.207 7.402 1.00 0.00 O ATOM 845 CB GLN A 57 -11.854 11.542 8.304 1.00 0.00 C ATOM 846 CG GLN A 57 -13.113 10.740 8.020 1.00 0.00 C ATOM 847 CD GLN A 57 -13.771 10.220 9.283 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.316 10.497 10.393 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.848 9.461 9.120 1.00 0.00 N ATOM 0 H GLN A 57 -9.931 10.844 6.525 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.160 12.796 6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.077 10.867 8.664 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.058 12.251 9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.822 11.364 7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.865 9.900 7.371 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.191 9.257 8.181 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.333 9.082 9.934 1.00 0.00 H new ATOM 858 N GLY A 58 -10.858 14.477 8.063 1.00 0.00 N ATOM 859 CA GLY A 58 -10.004 15.558 8.520 1.00 0.00 C ATOM 860 C GLY A 58 -9.797 16.620 7.459 1.00 0.00 C ATOM 861 O GLY A 58 -8.959 17.508 7.615 1.00 0.00 O ATOM 0 H GLY A 58 -11.858 14.640 8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.444 16.015 9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.037 15.152 8.817 1.00 0.00 H new ATOM 865 N LEU A 59 -10.563 16.532 6.376 1.00 0.00 N ATOM 866 CA LEU A 59 -10.458 17.492 5.285 1.00 0.00 C ATOM 867 C LEU A 59 -11.307 18.728 5.563 1.00 0.00 C ATOM 868 O LEU A 59 -12.257 18.696 6.346 1.00 0.00 O ATOM 869 CB LEU A 59 -10.895 16.847 3.968 1.00 0.00 C ATOM 870 CG LEU A 59 -9.856 15.960 3.279 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.308 15.605 1.871 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.501 16.649 3.250 1.00 0.00 C ATOM 0 H LEU A 59 -11.263 15.805 6.231 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.415 17.800 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.786 16.249 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.184 17.639 3.277 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.758 15.037 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.557 14.974 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.256 15.069 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.436 16.518 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.775 16.003 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.582 17.588 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.173 16.850 4.270 1.00 0.00 H new ATOM 884 N PRO A 60 -10.961 19.846 4.907 1.00 0.00 N ATOM 885 CA PRO A 60 -11.680 21.113 5.067 1.00 0.00 C ATOM 886 C PRO A 60 -13.075 21.069 4.453 1.00 0.00 C ATOM 887 O PRO A 60 -13.577 20.000 4.107 1.00 0.00 O ATOM 888 CB PRO A 60 -10.799 22.118 4.319 1.00 0.00 C ATOM 889 CG PRO A 60 -10.059 21.300 3.317 1.00 0.00 C ATOM 890 CD PRO A 60 -9.840 19.957 3.958 1.00 0.00 C ATOM 0 HA PRO A 60 -11.838 21.362 6.116 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.400 22.888 3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.115 22.627 4.998 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.630 21.203 2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.109 21.767 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.855 19.153 3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.877 19.906 4.466 1.00 0.00 H new ATOM 898 N GLU A 61 -13.696 22.237 4.322 1.00 0.00 N ATOM 899 CA GLU A 61 -15.035 22.330 3.750 1.00 0.00 C ATOM 900 C GLU A 61 -14.969 22.668 2.264 1.00 0.00 C ATOM 901 O GLU A 61 -13.988 23.237 1.788 1.00 0.00 O ATOM 902 CB GLU A 61 -15.857 23.388 4.489 1.00 0.00 C ATOM 903 CG GLU A 61 -17.319 23.420 4.077 1.00 0.00 C ATOM 904 CD GLU A 61 -18.122 22.288 4.689 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.272 22.271 5.929 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.601 21.421 3.929 1.00 0.00 O ATOM 0 H GLU A 61 -13.294 23.131 4.604 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.519 21.360 3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.794 23.201 5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.416 24.369 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.756 24.373 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.388 23.364 2.991 1.00 0.00 H new ATOM 913 N GLY A 62 -16.023 22.311 1.534 1.00 0.00 N ATOM 914 CA GLY A 62 -16.064 22.583 0.110 1.00 0.00 C ATOM 915 C GLY A 62 -14.887 21.981 -0.631 1.00 0.00 C ATOM 916 O GLY A 62 -14.582 22.378 -1.756 1.00 0.00 O ATOM 0 H GLY A 62 -16.848 21.839 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.991 22.188 -0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.077 23.661 -0.050 1.00 0.00 H new ATOM 920 N VAL A 63 -14.223 21.018 0.000 1.00 0.00 N ATOM 921 CA VAL A 63 -13.072 20.360 -0.606 1.00 0.00 C ATOM 922 C VAL A 63 -13.406 18.926 -1.002 1.00 0.00 C ATOM 923 O VAL A 63 -14.431 18.380 -0.596 1.00 0.00 O ATOM 924 CB VAL A 63 -11.864 20.348 0.350 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.089 19.359 1.484 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.587 20.021 -0.409 1.00 0.00 C ATOM 0 H VAL A 63 -14.463 20.676 0.931 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.814 20.931 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.757 21.342 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.225 19.365 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.980 19.644 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.224 18.359 1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.744 20.017 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.681 19.039 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.420 20.772 -1.181 1.00 0.00 H new ATOM 936 N ALA A 64 -12.531 18.320 -1.800 1.00 0.00 N ATOM 937 CA ALA A 64 -12.732 16.948 -2.250 1.00 0.00 C ATOM 938 C ALA A 64 -11.404 16.204 -2.351 1.00 0.00 C ATOM 939 O ALA A 64 -10.563 16.526 -3.191 1.00 0.00 O ATOM 940 CB ALA A 64 -13.451 16.932 -3.590 1.00 0.00 C ATOM 0 H ALA A 64 -11.678 18.758 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.351 16.437 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.594 15.901 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.421 17.419 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.854 17.465 -4.330 1.00 0.00 H new ATOM 946 N PHE A 65 -11.222 15.208 -1.490 1.00 0.00 N ATOM 947 CA PHE A 65 -9.996 14.420 -1.481 1.00 0.00 C ATOM 948 C PHE A 65 -9.443 14.258 -2.894 1.00 0.00 C ATOM 949 O PHE A 65 -10.038 13.579 -3.733 1.00 0.00 O ATOM 950 CB PHE A 65 -10.253 13.045 -0.861 1.00 0.00 C ATOM 951 CG PHE A 65 -9.163 12.049 -1.138 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.059 11.962 -0.304 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.242 11.201 -2.230 1.00 0.00 C ATOM 954 CE1 PHE A 65 -7.055 11.047 -0.556 1.00 0.00 C ATOM 955 CE2 PHE A 65 -8.240 10.284 -2.487 1.00 0.00 C ATOM 956 CZ PHE A 65 -7.144 10.206 -1.649 1.00 0.00 C ATOM 0 H PHE A 65 -11.908 14.928 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.258 14.950 -0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.366 13.157 0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.197 12.654 -1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.983 12.616 0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.096 11.257 -2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.200 10.989 0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.314 9.629 -3.342 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.360 9.490 -1.848 1.00 0.00 H new ATOM 966 N LYS A 66 -8.302 14.887 -3.152 1.00 0.00 N ATOM 967 CA LYS A 66 -7.666 14.814 -4.463 1.00 0.00 C ATOM 968 C LYS A 66 -6.172 15.100 -4.359 1.00 0.00 C ATOM 969 O LYS A 66 -5.647 15.331 -3.268 1.00 0.00 O ATOM 970 CB LYS A 66 -8.321 15.806 -5.426 1.00 0.00 C ATOM 971 CG LYS A 66 -8.134 17.258 -5.023 1.00 0.00 C ATOM 972 CD LYS A 66 -8.665 18.204 -6.087 1.00 0.00 C ATOM 973 CE LYS A 66 -10.146 18.488 -5.890 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.544 19.798 -6.475 1.00 0.00 N ATOM 0 H LYS A 66 -7.798 15.454 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.798 13.803 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.907 15.658 -6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.387 15.589 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.648 17.444 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.076 17.456 -4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.107 19.140 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.505 17.770 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.732 17.692 -6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.378 18.481 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.560 19.953 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.003 20.560 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.346 19.797 -7.496 1.00 0.00 H new ATOM 988 N HIS A 67 -5.490 15.084 -5.500 1.00 0.00 N ATOM 989 CA HIS A 67 -4.055 15.345 -5.538 1.00 0.00 C ATOM 990 C HIS A 67 -3.712 16.606 -4.751 1.00 0.00 C ATOM 991 O HIS A 67 -4.439 17.599 -4.774 1.00 0.00 O ATOM 992 CB HIS A 67 -3.579 15.487 -6.984 1.00 0.00 C ATOM 993 CG HIS A 67 -2.179 15.002 -7.204 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.094 15.848 -7.286 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.690 13.749 -7.356 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.002 15.137 -7.482 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.332 13.861 -7.528 1.00 0.00 N ATOM 0 H HIS A 67 -5.908 14.893 -6.411 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.544 14.500 -5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.254 14.932 -7.636 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.642 16.535 -7.277 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.261 12.832 -7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.001 15.533 -7.587 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.314 13.084 -7.669 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.578 16.568 -4.036 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.111 17.699 -3.229 1.00 0.00 C ATOM 1007 C PRO A 68 -1.647 18.871 -4.086 1.00 0.00 C ATOM 1008 O PRO A 68 -1.350 19.948 -3.571 1.00 0.00 O ATOM 1009 CB PRO A 68 -0.936 17.113 -2.442 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.447 15.981 -3.278 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.661 15.417 -3.963 1.00 0.00 C ATOM 0 HA PRO A 68 -2.903 18.104 -2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.154 17.856 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.251 16.770 -1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.288 16.323 -4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.041 15.224 -2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.420 15.032 -4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.095 14.593 -3.397 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.587 18.653 -5.396 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.158 19.693 -6.324 1.00 0.00 C ATOM 1021 C GLU A 69 -2.353 20.487 -6.842 1.00 0.00 C ATOM 1022 O GLU A 69 -2.203 21.607 -7.329 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.394 19.076 -7.498 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.292 18.622 -8.636 1.00 0.00 C ATOM 1025 CD GLU A 69 -1.621 19.743 -9.602 1.00 0.00 C ATOM 1026 OE1 GLU A 69 -0.787 20.660 -9.753 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -2.713 19.705 -10.207 1.00 0.00 O ATOM 0 H GLU A 69 -1.830 17.767 -5.838 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.497 20.373 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.321 19.805 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.182 18.223 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.804 17.812 -9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.217 18.218 -8.225 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.540 19.898 -6.732 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.762 20.550 -7.189 1.00 0.00 C ATOM 1036 C ASN A 70 -5.275 21.539 -6.147 1.00 0.00 C ATOM 1037 O ASN A 70 -6.100 22.401 -6.447 1.00 0.00 O ATOM 1038 CB ASN A 70 -5.839 19.506 -7.492 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.691 18.907 -8.877 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -5.809 19.607 -9.884 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -5.431 17.606 -8.936 1.00 0.00 N ATOM 0 H ASN A 70 -3.681 18.971 -6.331 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.531 21.100 -8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.790 18.711 -6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.823 19.966 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.321 17.148 -9.841 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.341 17.064 -8.076 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.779 21.408 -4.922 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.188 22.287 -3.833 1.00 0.00 C ATOM 1050 C TYR A 71 -4.375 23.579 -3.842 1.00 0.00 C ATOM 1051 O TYR A 71 -3.150 23.554 -3.722 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.026 21.579 -2.488 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.923 20.371 -2.328 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.273 20.436 -2.655 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.421 19.167 -1.851 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.095 19.335 -2.509 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.236 18.061 -1.703 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.572 18.151 -2.034 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.388 17.052 -1.888 1.00 0.00 O ATOM 0 H TYR A 71 -4.093 20.701 -4.658 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.239 22.538 -3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.988 21.268 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.237 22.287 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.685 21.361 -3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.375 19.094 -1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.142 19.402 -2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.830 17.132 -1.331 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.260 17.236 -2.295 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.066 24.704 -3.982 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.409 26.006 -4.004 1.00 0.00 C ATOM 1071 C ASP A 72 -3.449 26.151 -2.828 1.00 0.00 C ATOM 1072 O ASP A 72 -3.720 25.665 -1.729 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.451 27.127 -3.970 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.722 26.758 -4.709 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -7.591 26.099 -4.102 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -6.848 27.129 -5.895 1.00 0.00 O ATOM 0 H ASP A 72 -6.080 24.741 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.836 26.081 -4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.692 27.364 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.026 28.028 -4.412 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.326 26.820 -3.066 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.324 27.028 -2.027 1.00 0.00 C ATOM 1083 C LEU A 73 -1.986 27.275 -0.675 1.00 0.00 C ATOM 1084 O LEU A 73 -1.590 26.694 0.335 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.422 28.209 -2.390 1.00 0.00 C ATOM 1086 CG LEU A 73 0.691 28.534 -1.393 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.334 27.256 -0.876 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.734 29.436 -2.035 1.00 0.00 C ATOM 0 H LEU A 73 -2.087 27.228 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.718 26.125 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.033 28.008 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.046 29.095 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 73 0.253 29.064 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.124 27.507 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.581 26.645 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.759 26.699 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.519 29.657 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.168 28.933 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.263 30.365 -2.356 1.00 0.00 H new ATOM 1100 N ALA A 74 -2.996 28.138 -0.664 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.715 28.459 0.562 1.00 0.00 C ATOM 1102 C ALA A 74 -4.280 27.200 1.211 1.00 0.00 C ATOM 1103 O ALA A 74 -4.169 27.010 2.424 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.830 29.453 0.276 1.00 0.00 C ATOM 0 H ALA A 74 -3.335 28.628 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.010 28.912 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.358 29.683 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.405 30.368 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.527 29.021 -0.442 1.00 0.00 H new ATOM 1110 N THR A 75 -4.888 26.341 0.399 1.00 0.00 N ATOM 1111 CA THR A 75 -5.473 25.102 0.894 1.00 0.00 C ATOM 1112 C THR A 75 -4.394 24.148 1.395 1.00 0.00 C ATOM 1113 O THR A 75 -4.478 23.628 2.509 1.00 0.00 O ATOM 1114 CB THR A 75 -6.302 24.396 -0.195 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.311 25.280 -0.693 1.00 0.00 O ATOM 1116 CG2 THR A 75 -6.950 23.133 0.351 1.00 0.00 C ATOM 0 H THR A 75 -4.988 26.482 -0.606 1.00 0.00 H new ATOM 0 HA THR A 75 -6.130 25.371 1.721 1.00 0.00 H new ATOM 0 HB THR A 75 -5.631 24.118 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.832 24.824 -1.386 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.530 22.652 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.177 22.449 0.701 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.608 23.391 1.180 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.381 23.919 0.566 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.285 23.027 0.925 1.00 0.00 C ATOM 1126 C LEU A 76 -1.843 23.259 2.367 1.00 0.00 C ATOM 1127 O LEU A 76 -1.756 22.322 3.159 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.102 23.234 -0.023 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.164 22.476 -1.349 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.068 22.954 -2.289 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.050 20.977 -1.113 1.00 0.00 C ATOM 0 H LEU A 76 -3.296 24.339 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.640 22.000 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.018 24.299 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.190 22.942 0.497 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.128 22.678 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.128 22.403 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.195 24.019 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.906 22.783 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.096 20.454 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.101 20.757 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.871 20.645 -0.478 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.567 24.516 2.700 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.138 24.874 4.047 1.00 0.00 C ATOM 1145 C LYS A 77 -2.107 24.326 5.090 1.00 0.00 C ATOM 1146 O LYS A 77 -1.691 23.734 6.086 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.032 26.394 4.184 1.00 0.00 C ATOM 1148 CG LYS A 77 0.074 27.005 3.341 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.214 28.460 3.012 1.00 0.00 C ATOM 1150 CE LYS A 77 1.010 29.152 2.428 1.00 0.00 C ATOM 1151 NZ LYS A 77 0.923 30.634 2.559 1.00 0.00 N ATOM 0 H LYS A 77 -1.633 25.304 2.055 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.157 24.431 4.219 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.984 26.843 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.860 26.645 5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.022 26.933 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.184 26.437 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.039 28.517 2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.533 28.982 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.906 28.794 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.111 28.885 1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.774 31.069 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.082 30.978 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.852 30.890 3.564 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.398 24.526 4.855 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.425 24.048 5.774 1.00 0.00 C ATOM 1167 C TRP A 78 -4.237 22.568 6.080 1.00 0.00 C ATOM 1168 O TRP A 78 -4.006 22.186 7.227 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.816 24.288 5.185 1.00 0.00 C ATOM 1170 CG TRP A 78 -6.924 24.084 6.175 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.531 25.042 6.936 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.553 22.843 6.511 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.500 24.470 7.725 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.534 23.123 7.483 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.385 21.523 6.086 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.341 22.132 8.034 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.186 20.539 6.634 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.155 20.847 7.599 1.00 0.00 C ATOM 0 H TRP A 78 -3.759 25.016 4.036 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.331 24.606 6.706 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.868 25.305 4.797 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.966 23.616 4.340 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.286 26.094 6.920 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.097 24.969 8.384 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.642 21.276 5.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.087 22.368 8.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.063 19.515 6.313 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.766 20.056 8.007 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.337 21.737 5.047 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.176 20.297 5.207 1.00 0.00 C ATOM 1191 C ILE A 79 -3.060 19.975 6.195 1.00 0.00 C ATOM 1192 O ILE A 79 -3.263 19.234 7.158 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.869 19.613 3.862 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.064 19.740 2.915 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.515 18.149 4.082 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.820 19.140 1.548 1.00 0.00 C ATOM 0 H ILE A 79 -4.529 22.036 4.091 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.121 19.914 5.593 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.013 20.110 3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.928 19.254 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.315 20.794 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.300 17.678 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.637 18.079 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.353 17.639 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.710 19.267 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.976 19.642 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.598 18.078 1.651 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.881 20.536 5.951 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.732 20.310 6.820 1.00 0.00 C ATOM 1210 C LEU A 80 -1.027 20.772 8.244 1.00 0.00 C ATOM 1211 O LEU A 80 -0.640 20.118 9.211 1.00 0.00 O ATOM 1212 CB LEU A 80 0.495 21.045 6.277 1.00 0.00 C ATOM 1213 CG LEU A 80 1.274 20.328 5.174 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.281 21.269 4.533 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.972 19.094 5.729 1.00 0.00 C ATOM 0 H LEU A 80 -1.696 21.151 5.158 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.527 19.240 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.174 22.014 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.175 21.238 7.107 1.00 0.00 H new ATOM 0 HG LEU A 80 0.568 20.008 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.826 20.741 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.758 22.121 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.983 21.621 5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.521 18.596 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.665 19.391 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.229 18.410 6.139 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.716 21.903 8.362 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.064 22.451 9.669 1.00 0.00 C ATOM 1229 C GLU A 81 -2.933 21.474 10.455 1.00 0.00 C ATOM 1230 O GLU A 81 -2.611 21.110 11.585 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.794 23.786 9.508 1.00 0.00 C ATOM 1232 CG GLU A 81 -1.877 24.994 9.584 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.641 26.304 9.640 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.790 26.340 9.152 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.090 27.289 10.172 1.00 0.00 O ATOM 0 H GLU A 81 -2.044 22.457 7.571 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.140 22.615 10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.312 23.794 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.556 23.870 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.243 24.909 10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.217 24.999 8.717 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.037 21.052 9.847 1.00 0.00 N ATOM 1243 CA ASN A 82 -4.955 20.118 10.490 1.00 0.00 C ATOM 1244 C ASN A 82 -4.726 18.698 9.984 1.00 0.00 C ATOM 1245 O ASN A 82 -5.674 17.933 9.796 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.404 20.536 10.233 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.727 21.894 10.824 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.642 22.029 11.637 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -5.977 22.911 10.415 1.00 0.00 N ATOM 0 H ASN A 82 -4.318 21.342 8.910 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.764 20.138 11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.588 20.557 9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.075 19.789 10.657 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.149 23.849 10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.229 22.754 9.740 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.463 18.349 9.767 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.108 17.019 9.284 1.00 0.00 C ATOM 1258 C LYS A 83 -3.097 16.011 10.429 1.00 0.00 C ATOM 1259 O LYS A 83 -3.720 14.952 10.342 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.737 17.050 8.606 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.580 17.205 9.577 1.00 0.00 C ATOM 1262 CD LYS A 83 0.740 17.391 8.847 1.00 0.00 C ATOM 1263 CE LYS A 83 1.905 17.495 9.820 1.00 0.00 C ATOM 1264 NZ LYS A 83 3.155 17.939 9.143 1.00 0.00 N ATOM 0 H LYS A 83 -2.667 18.969 9.918 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.859 16.710 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.602 16.130 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.713 17.873 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.761 18.061 10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.521 16.325 10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.904 16.553 8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.695 18.291 8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.653 18.197 10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.072 16.527 10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.925 17.997 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.410 17.256 8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.004 18.874 8.714 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.388 16.346 11.501 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.300 15.472 12.664 1.00 0.00 C ATOM 1280 C ALA A 84 -3.632 14.779 12.933 1.00 0.00 C ATOM 1281 O ALA A 84 -3.672 13.684 13.491 1.00 0.00 O ATOM 1282 CB ALA A 84 -1.858 16.262 13.887 1.00 0.00 C ATOM 0 H ALA A 84 -1.865 17.218 11.588 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.556 14.703 12.453 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.797 15.596 14.748 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.880 16.704 13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.581 17.052 14.090 1.00 0.00 H new ATOM 1288 N GLY A 85 -4.722 15.427 12.530 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.041 14.858 12.736 1.00 0.00 C ATOM 1290 C GLY A 85 -6.490 13.996 11.573 1.00 0.00 C ATOM 1291 O GLY A 85 -7.162 12.983 11.766 1.00 0.00 O ATOM 0 H GLY A 85 -4.714 16.335 12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.037 14.260 13.647 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.761 15.663 12.887 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.118 14.398 10.363 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.488 13.655 9.164 1.00 0.00 C ATOM 1297 C ILE A 86 -6.313 12.155 9.373 1.00 0.00 C ATOM 1298 O ILE A 86 -5.227 11.688 9.718 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.650 14.095 7.949 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.196 15.402 7.370 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.641 13.003 6.890 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.368 15.950 6.229 1.00 0.00 C ATOM 0 H ILE A 86 -5.561 15.234 10.186 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.538 13.872 8.968 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.624 14.266 8.276 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.216 15.238 7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.246 16.148 8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.045 13.328 6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.210 12.094 7.309 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.662 12.804 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.814 16.877 5.868 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.354 16.147 6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.339 15.222 5.418 1.00 0.00 H new ATOM 1314 N SER A 87 -7.389 11.405 9.158 1.00 0.00 N ATOM 1315 CA SER A 87 -7.356 9.957 9.324 1.00 0.00 C ATOM 1316 C SER A 87 -7.749 9.252 8.029 1.00 0.00 C ATOM 1317 O SER A 87 -8.235 9.881 7.089 1.00 0.00 O ATOM 1318 CB SER A 87 -8.294 9.529 10.455 1.00 0.00 C ATOM 1319 OG SER A 87 -7.959 10.181 11.668 1.00 0.00 O ATOM 0 H SER A 87 -8.294 11.776 8.869 1.00 0.00 H new ATOM 0 HA SER A 87 -6.336 9.670 9.579 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.324 9.762 10.185 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.236 8.449 10.591 1.00 0.00 H new ATOM 0 HG SER A 87 -7.689 11.104 11.479 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.534 7.942 7.986 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.864 7.150 6.807 1.00 0.00 C ATOM 1327 C PHE A 88 -8.556 5.849 7.202 1.00 0.00 C ATOM 1328 O PHE A 88 -8.002 5.040 7.947 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.600 6.844 6.001 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.301 7.868 4.944 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -5.773 9.103 5.286 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.547 7.597 3.608 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.496 10.047 4.316 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -6.272 8.537 2.633 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.747 9.765 2.988 1.00 0.00 C ATOM 0 H PHE A 88 -7.132 7.406 8.755 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.548 7.732 6.189 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.752 6.778 6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.707 5.867 5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.576 9.330 6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.959 6.640 3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.083 11.005 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.467 8.312 1.595 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.534 10.502 2.228 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.770 5.655 6.697 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.537 4.452 6.996 1.00 0.00 C ATOM 1347 C ILE A 89 -10.550 3.498 5.807 1.00 0.00 C ATOM 1348 O ILE A 89 -11.150 3.788 4.772 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.989 4.792 7.382 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -12.014 5.919 8.417 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.699 3.557 7.918 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -12.141 7.297 7.807 1.00 0.00 C ATOM 0 H ILE A 89 -10.243 6.315 6.080 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.048 3.968 7.841 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.516 5.131 6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.847 5.755 9.101 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.101 5.876 9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.724 3.814 8.186 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.708 2.781 7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.174 3.190 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.152 8.046 8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.295 7.481 7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.068 7.358 7.236 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.884 2.359 5.963 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.821 1.360 4.903 1.00 0.00 C ATOM 1366 C ILE A 90 -11.053 0.462 4.919 1.00 0.00 C ATOM 1367 O ILE A 90 -11.256 -0.316 5.852 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.559 0.484 5.028 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.563 0.828 3.921 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.932 -0.990 4.977 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.579 1.911 4.308 1.00 0.00 C ATOM 0 H ILE A 90 -9.380 2.105 6.813 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.784 1.904 3.959 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.087 0.685 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.012 -0.072 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.112 1.147 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.031 -1.597 5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.609 -1.223 5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.424 -1.208 4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.903 2.103 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.121 2.824 4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.003 1.587 5.175 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.874 0.573 3.881 1.00 0.00 N ATOM 1384 CA LYS A 91 -13.086 -0.230 3.772 1.00 0.00 C ATOM 1385 C LYS A 91 -12.818 -1.519 3.000 1.00 0.00 C ATOM 1386 O LYS A 91 -13.463 -2.540 3.234 1.00 0.00 O ATOM 1387 CB LYS A 91 -14.193 0.569 3.081 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.366 1.973 3.636 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.427 2.015 4.723 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.887 3.439 4.996 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.281 3.481 5.520 1.00 0.00 N ATOM 0 H LYS A 91 -11.722 1.213 3.101 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.410 -0.491 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.973 0.633 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.135 0.029 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.417 2.326 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.642 2.653 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.280 1.407 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.029 1.578 5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.214 3.906 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.827 4.023 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.557 4.469 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.927 3.058 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.334 2.946 6.410 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.860 -1.463 2.079 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.507 -2.625 1.274 1.00 0.00 C ATOM 1407 C ARG A 92 -10.363 -2.296 0.317 1.00 0.00 C ATOM 1408 O ARG A 92 -10.359 -1.263 -0.351 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.722 -3.113 0.484 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.361 -3.928 -0.747 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.948 -3.034 -1.906 1.00 0.00 C ATOM 1412 NE ARG A 92 -12.323 -3.604 -3.198 1.00 0.00 N ATOM 1413 CZ ARG A 92 -13.558 -3.566 -3.687 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -14.531 -2.989 -2.996 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -13.820 -4.105 -4.870 1.00 0.00 N ATOM 0 H ARG A 92 -11.316 -0.625 1.873 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.179 -3.416 1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.351 -3.717 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.316 -2.252 0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.547 -4.612 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.214 -4.539 -1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.414 -2.055 -1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.869 -2.879 -1.878 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.597 -4.056 -3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.333 -2.573 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.478 -2.961 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.073 -4.549 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.768 -4.076 -5.245 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.371 -3.196 0.251 1.00 0.00 N ATOM 1430 CA PRO A 93 -8.204 -3.023 -0.619 1.00 0.00 C ATOM 1431 C PRO A 93 -8.557 -3.159 -2.097 1.00 0.00 C ATOM 1432 O PRO A 93 -9.170 -4.144 -2.511 1.00 0.00 O ATOM 1433 CB PRO A 93 -7.269 -4.155 -0.188 1.00 0.00 C ATOM 1434 CG PRO A 93 -8.170 -5.195 0.383 1.00 0.00 C ATOM 1435 CD PRO A 93 -9.310 -4.449 1.020 1.00 0.00 C ATOM 0 HA PRO A 93 -7.767 -2.029 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.702 -4.544 -1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.545 -3.811 0.550 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.530 -5.869 -0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.645 -5.806 1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.243 -5.008 0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.126 -4.262 2.078 1.00 0.00 H new ATOM 1443 N PHE A 94 -8.169 -2.164 -2.888 1.00 0.00 N ATOM 1444 CA PHE A 94 -8.446 -2.173 -4.320 1.00 0.00 C ATOM 1445 C PHE A 94 -8.110 -3.531 -4.930 1.00 0.00 C ATOM 1446 O PHE A 94 -6.997 -4.036 -4.777 1.00 0.00 O ATOM 1447 CB PHE A 94 -7.646 -1.074 -5.022 1.00 0.00 C ATOM 1448 CG PHE A 94 -7.745 0.264 -4.346 1.00 0.00 C ATOM 1449 CD1 PHE A 94 -6.965 0.556 -3.240 1.00 0.00 C ATOM 1450 CD2 PHE A 94 -8.620 1.230 -4.818 1.00 0.00 C ATOM 1451 CE1 PHE A 94 -7.052 1.786 -2.616 1.00 0.00 C ATOM 1452 CE2 PHE A 94 -8.712 2.461 -4.199 1.00 0.00 C ATOM 1453 CZ PHE A 94 -7.929 2.740 -3.096 1.00 0.00 C ATOM 0 H PHE A 94 -7.662 -1.341 -2.562 1.00 0.00 H new ATOM 0 HA PHE A 94 -9.510 -1.984 -4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.599 -1.372 -5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -7.997 -0.980 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.280 -0.187 -2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.236 1.018 -5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.436 2.001 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.396 3.206 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.002 3.702 -2.610 1.00 0.00 H new ATOM 1463 N LEU A 95 -9.081 -4.118 -5.622 1.00 0.00 N ATOM 1464 CA LEU A 95 -8.890 -5.418 -6.256 1.00 0.00 C ATOM 1465 C LEU A 95 -9.020 -5.309 -7.772 1.00 0.00 C ATOM 1466 O LEU A 95 -9.798 -4.502 -8.280 1.00 0.00 O ATOM 1467 CB LEU A 95 -9.906 -6.425 -5.716 1.00 0.00 C ATOM 1468 CG LEU A 95 -9.571 -7.057 -4.364 1.00 0.00 C ATOM 1469 CD1 LEU A 95 -10.758 -7.849 -3.838 1.00 0.00 C ATOM 1470 CD2 LEU A 95 -8.343 -7.947 -4.482 1.00 0.00 C ATOM 0 H LEU A 95 -10.008 -3.714 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.884 -5.765 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.872 -5.927 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.021 -7.223 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.350 -6.259 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.502 -8.292 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.613 -7.185 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.010 -8.639 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.119 -8.388 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.536 -8.739 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.493 -7.352 -4.815 1.00 0.00 H new ATOM 1482 N GLU A 96 -8.255 -6.128 -8.487 1.00 0.00 N ATOM 1483 CA GLU A 96 -8.289 -6.123 -9.945 1.00 0.00 C ATOM 1484 C GLU A 96 -8.261 -7.546 -10.494 1.00 0.00 C ATOM 1485 O GLU A 96 -7.722 -8.467 -9.878 1.00 0.00 O ATOM 1486 CB GLU A 96 -7.106 -5.327 -10.502 1.00 0.00 C ATOM 1487 CG GLU A 96 -7.369 -3.834 -10.599 1.00 0.00 C ATOM 1488 CD GLU A 96 -8.392 -3.491 -11.664 1.00 0.00 C ATOM 1489 OE1 GLU A 96 -9.597 -3.720 -11.427 1.00 0.00 O ATOM 1490 OE2 GLU A 96 -7.988 -2.993 -12.736 1.00 0.00 O ATOM 0 H GLU A 96 -7.606 -6.802 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 96 -9.218 -5.648 -10.260 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.236 -5.494 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.856 -5.708 -11.492 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.717 -3.467 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.434 -3.318 -10.818 1.00 0.00 H new ATOM 1497 N PRO A 97 -8.856 -7.735 -11.681 1.00 0.00 N ATOM 1498 CA PRO A 97 -8.914 -9.043 -12.340 1.00 0.00 C ATOM 1499 C PRO A 97 -7.549 -9.499 -12.842 1.00 0.00 C ATOM 1500 O PRO A 97 -6.584 -8.735 -12.831 1.00 0.00 O ATOM 1501 CB PRO A 97 -9.865 -8.806 -13.516 1.00 0.00 C ATOM 1502 CG PRO A 97 -9.761 -7.347 -13.799 1.00 0.00 C ATOM 1503 CD PRO A 97 -9.519 -6.683 -12.472 1.00 0.00 C ATOM 0 HA PRO A 97 -9.244 -9.828 -11.660 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -9.577 -9.399 -14.384 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -10.887 -9.088 -13.262 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.946 -7.141 -14.492 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -10.675 -6.973 -14.261 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.889 -5.799 -12.574 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.451 -6.359 -12.009 1.00 0.00 H new ATOM 1511 N LYS A 98 -7.474 -10.750 -13.284 1.00 0.00 N ATOM 1512 CA LYS A 98 -6.228 -11.309 -13.793 1.00 0.00 C ATOM 1513 C LYS A 98 -5.169 -11.368 -12.696 1.00 0.00 C ATOM 1514 O LYS A 98 -3.998 -11.071 -12.932 1.00 0.00 O ATOM 1515 CB LYS A 98 -5.713 -10.476 -14.969 1.00 0.00 C ATOM 1516 CG LYS A 98 -4.776 -11.237 -15.890 1.00 0.00 C ATOM 1517 CD LYS A 98 -4.004 -10.297 -16.800 1.00 0.00 C ATOM 1518 CE LYS A 98 -2.687 -9.867 -16.169 1.00 0.00 C ATOM 1519 NZ LYS A 98 -2.839 -8.623 -15.364 1.00 0.00 N ATOM 0 H LYS A 98 -8.263 -11.396 -13.300 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.428 -12.324 -14.135 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.563 -10.115 -15.547 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.195 -9.598 -14.582 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.077 -11.824 -15.295 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.350 -11.940 -16.494 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.809 -10.790 -17.752 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.610 -9.417 -17.015 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.310 -10.668 -15.533 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.945 -9.705 -16.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.924 -8.132 -15.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.538 -8.000 -15.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.161 -8.867 -14.406 1.00 0.00 H new ATOM 1533 N LYS A 99 -5.589 -11.754 -11.496 1.00 0.00 N ATOM 1534 CA LYS A 99 -4.677 -11.854 -10.362 1.00 0.00 C ATOM 1535 C LYS A 99 -3.656 -10.721 -10.383 1.00 0.00 C ATOM 1536 O LYS A 99 -2.466 -10.940 -10.151 1.00 0.00 O ATOM 1537 CB LYS A 99 -3.957 -13.204 -10.378 1.00 0.00 C ATOM 1538 CG LYS A 99 -4.743 -14.321 -9.711 1.00 0.00 C ATOM 1539 CD LYS A 99 -4.146 -15.683 -10.019 1.00 0.00 C ATOM 1540 CE LYS A 99 -5.164 -16.795 -9.820 1.00 0.00 C ATOM 1541 NZ LYS A 99 -4.620 -18.123 -10.217 1.00 0.00 N ATOM 0 H LYS A 99 -6.555 -12.003 -11.283 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.264 -11.773 -9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.750 -13.484 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.995 -13.099 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.756 -14.164 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.778 -14.291 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.784 -15.699 -11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.284 -15.858 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.469 -16.825 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.057 -16.579 -10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.344 -18.854 -10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.353 -18.102 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.782 -18.342 -9.640 1.00 0.00 H new ATOM 1555 N HIS A 100 -4.128 -9.510 -10.661 1.00 0.00 N ATOM 1556 CA HIS A 100 -3.255 -8.342 -10.710 1.00 0.00 C ATOM 1557 C HIS A 100 -2.144 -8.450 -9.671 1.00 0.00 C ATOM 1558 O HIS A 100 -2.402 -8.709 -8.495 1.00 0.00 O ATOM 1559 CB HIS A 100 -4.064 -7.065 -10.478 1.00 0.00 C ATOM 1560 CG HIS A 100 -4.167 -6.675 -9.035 1.00 0.00 C ATOM 1561 ND1 HIS A 100 -5.053 -7.263 -8.158 1.00 0.00 N ATOM 1562 CD2 HIS A 100 -3.487 -5.751 -8.317 1.00 0.00 C ATOM 1563 CE1 HIS A 100 -4.915 -6.716 -6.964 1.00 0.00 C ATOM 1564 NE2 HIS A 100 -3.971 -5.797 -7.033 1.00 0.00 N ATOM 0 H HIS A 100 -5.109 -9.312 -10.856 1.00 0.00 H new ATOM 0 HA HIS A 100 -2.800 -8.300 -11.699 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -3.605 -6.248 -11.035 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -5.067 -7.202 -10.881 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -2.709 -5.099 -8.685 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -5.479 -6.977 -6.081 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.652 -5.215 -6.258 1.00 0.00 H new ATOM 1572 N VAL A 101 -0.906 -8.252 -10.112 1.00 0.00 N ATOM 1573 CA VAL A 101 0.245 -8.327 -9.220 1.00 0.00 C ATOM 1574 C VAL A 101 0.647 -6.943 -8.722 1.00 0.00 C ATOM 1575 O VAL A 101 1.529 -6.299 -9.289 1.00 0.00 O ATOM 1576 CB VAL A 101 1.453 -8.980 -9.916 1.00 0.00 C ATOM 1577 CG1 VAL A 101 2.656 -9.008 -8.985 1.00 0.00 C ATOM 1578 CG2 VAL A 101 1.101 -10.383 -10.389 1.00 0.00 C ATOM 0 H VAL A 101 -0.674 -8.038 -11.082 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.053 -8.943 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 101 1.714 -8.382 -10.789 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.500 -9.473 -9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.920 -7.989 -8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.411 -9.582 -8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.966 -10.830 -10.879 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.813 -10.994 -9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.271 -10.332 -11.094 1.00 0.00 H new ATOM 1588 N GLY A 102 -0.008 -6.490 -7.657 1.00 0.00 N ATOM 1589 CA GLY A 102 0.295 -5.184 -7.101 1.00 0.00 C ATOM 1590 C GLY A 102 -0.451 -4.067 -7.804 1.00 0.00 C ATOM 1591 O GLY A 102 -1.245 -3.357 -7.188 1.00 0.00 O ATOM 0 H GLY A 102 -0.742 -7.004 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.040 -5.176 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.367 -5.002 -7.173 1.00 0.00 H new ATOM 1595 N GLY A 103 -0.194 -3.909 -9.098 1.00 0.00 N ATOM 1596 CA GLY A 103 -0.852 -2.868 -9.865 1.00 0.00 C ATOM 1597 C GLY A 103 -0.047 -2.443 -11.077 1.00 0.00 C ATOM 1598 O GLY A 103 0.546 -3.277 -11.760 1.00 0.00 O ATOM 0 H GLY A 103 0.459 -4.484 -9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.830 -3.223 -10.189 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.023 -2.003 -9.225 1.00 0.00 H new ATOM 1602 N SER A 104 -0.027 -1.141 -11.345 1.00 0.00 N ATOM 1603 CA SER A 104 0.706 -0.606 -12.487 1.00 0.00 C ATOM 1604 C SER A 104 1.019 0.874 -12.287 1.00 0.00 C ATOM 1605 O SER A 104 0.130 1.722 -12.348 1.00 0.00 O ATOM 1606 CB SER A 104 -0.100 -0.800 -13.773 1.00 0.00 C ATOM 1607 OG SER A 104 -1.381 -0.203 -13.666 1.00 0.00 O ATOM 0 H SER A 104 -0.510 -0.437 -10.787 1.00 0.00 H new ATOM 0 HA SER A 104 1.647 -1.150 -12.571 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.439 -0.363 -14.614 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.207 -1.864 -13.982 1.00 0.00 H new ATOM 0 HG SER A 104 -1.309 0.639 -13.170 1.00 0.00 H new ATOM 1613 N GLY A 105 2.292 1.175 -12.047 1.00 0.00 N ATOM 1614 CA GLY A 105 2.701 2.552 -11.842 1.00 0.00 C ATOM 1615 C GLY A 105 4.201 2.692 -11.674 1.00 0.00 C ATOM 1616 O GLY A 105 4.915 1.717 -11.440 1.00 0.00 O ATOM 0 H GLY A 105 3.046 0.491 -11.991 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.376 3.155 -12.690 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.201 2.949 -10.958 1.00 0.00 H new ATOM 1620 N PRO A 106 4.701 3.931 -11.797 1.00 0.00 N ATOM 1621 CA PRO A 106 6.131 4.225 -11.663 1.00 0.00 C ATOM 1622 C PRO A 106 6.624 4.061 -10.229 1.00 0.00 C ATOM 1623 O PRO A 106 5.839 4.117 -9.282 1.00 0.00 O ATOM 1624 CB PRO A 106 6.236 5.687 -12.101 1.00 0.00 C ATOM 1625 CG PRO A 106 4.885 6.259 -11.838 1.00 0.00 C ATOM 1626 CD PRO A 106 3.909 5.141 -12.075 1.00 0.00 C ATOM 0 HA PRO A 106 6.744 3.545 -12.254 1.00 0.00 H new ATOM 0 HB2 PRO A 106 7.006 6.215 -11.538 1.00 0.00 H new ATOM 0 HB3 PRO A 106 6.501 5.766 -13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.811 6.632 -10.816 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.682 7.101 -12.500 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.045 5.216 -11.415 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.531 5.148 -13.097 1.00 0.00 H new ATOM 1634 N SER A 107 7.930 3.861 -10.076 1.00 0.00 N ATOM 1635 CA SER A 107 8.527 3.686 -8.757 1.00 0.00 C ATOM 1636 C SER A 107 8.755 5.036 -8.082 1.00 0.00 C ATOM 1637 O SER A 107 8.574 6.088 -8.694 1.00 0.00 O ATOM 1638 CB SER A 107 9.851 2.929 -8.869 1.00 0.00 C ATOM 1639 OG SER A 107 9.651 1.627 -9.392 1.00 0.00 O ATOM 0 H SER A 107 8.594 3.816 -10.849 1.00 0.00 H new ATOM 0 HA SER A 107 7.836 3.105 -8.146 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.536 3.481 -9.512 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.319 2.862 -7.887 1.00 0.00 H new ATOM 0 HG SER A 107 10.512 1.164 -9.455 1.00 0.00 H new ATOM 1645 N SER A 108 9.155 4.996 -6.814 1.00 0.00 N ATOM 1646 CA SER A 108 9.406 6.213 -6.053 1.00 0.00 C ATOM 1647 C SER A 108 10.638 6.058 -5.169 1.00 0.00 C ATOM 1648 O SER A 108 11.213 4.974 -5.070 1.00 0.00 O ATOM 1649 CB SER A 108 8.189 6.563 -5.195 1.00 0.00 C ATOM 1650 OG SER A 108 8.310 7.862 -4.642 1.00 0.00 O ATOM 0 H SER A 108 9.312 4.133 -6.293 1.00 0.00 H new ATOM 0 HA SER A 108 9.588 7.022 -6.760 1.00 0.00 H new ATOM 0 HB2 SER A 108 7.285 6.505 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.083 5.832 -4.394 1.00 0.00 H new ATOM 0 HG SER A 108 7.519 8.062 -4.100 1.00 0.00 H new ATOM 1656 N GLY A 109 11.041 7.151 -4.526 1.00 0.00 N ATOM 1657 CA GLY A 109 12.203 7.115 -3.658 1.00 0.00 C ATOM 1658 C GLY A 109 12.801 8.490 -3.433 1.00 0.00 C ATOM 1659 O GLY A 109 13.859 8.621 -2.817 1.00 0.00 O ATOM 0 H GLY A 109 10.583 8.060 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.922 6.683 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.958 6.461 -4.094 1.00 0.00 H new TER 1663 GLY A 109