USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 TYR OH : rot -171:sc= 0 USER MOD Set 2.2: A 46 HIS :FLIP no HE2:sc= -4.77! C(o=-6.9!,f=-6.4!) USER MOD Set 2.3: A 47 ASN :FLIP amide:sc= -1.58 F(o=-6.9,f=-6.4) 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 43:sc= 0.695 USER MOD Single : A 5 SER OG : rot 28:sc= 0.0323 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.94! C(o=-1.9!,f=-2.9!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 74:sc= 0.223 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 77:sc= -0.151 USER MOD Single : A 25 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-3.4!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0943 F(o=-1.3,f=-0.094) USER MOD Single : A 32 SER OG : rot -92:sc= 0.00985 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 70:sc= -0.376 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 38:sc= -1.05 USER MOD Single : A 57 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.45) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.3) USER MOD Single : A 62 ASN : amide:sc= -0.0782 K(o=-0.078,f=-0.72) USER MOD Single : A 65 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.14) USER MOD Single : A 66 ASN : amide:sc= -3.63! C(o=-3.6!,f=-4.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 73:sc= 0.647 USER MOD Single : A 76 THR OG1 : rot 126:sc= 1.01 USER MOD Single : A 77 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-4.7!) USER MOD Single : A 80 CYS SG : rot -130:sc= -0.787 USER MOD Single : A 82 GLN : amide:sc= -0.0425 K(o=-0.043,f=-0.76) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 89 MET CE :methyl -155:sc= -5.49! (180deg=-6.33!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 82:sc= 1.19 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 105 GLN : amide:sc=-0.00169 K(o=-0.0017,f=-2.4!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -64:sc= -0.257 USER MOD Single : A 113 GLN : amide:sc= -0.28 K(o=-0.28,f=-3.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ -164:sc= -0.0163 (180deg=-0.196) USER MOD Single : A 122 SER OG : rot 180:sc= -0.0632 USER MOD Single : A 123 SER OG : rot 180:sc= -0.15 USER MOD Single : A 126 SER OG : rot -170:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.908 -20.562 -12.180 1.00 0.00 N ATOM 2 CA GLY A 1 -8.938 -19.567 -11.759 1.00 0.00 C ATOM 3 C GLY A 1 -9.349 -18.860 -10.483 1.00 0.00 C ATOM 4 O GLY A 1 -8.820 -19.146 -9.409 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.581 -21.017 -13.056 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.014 -21.281 -11.436 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.825 -20.102 -12.350 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.971 -20.047 -11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.809 -18.831 -12.553 1.00 0.00 H new ATOM 8 N SER A 2 -10.294 -17.932 -10.601 1.00 0.00 N ATOM 9 CA SER A 2 -10.772 -17.178 -9.448 1.00 0.00 C ATOM 10 C SER A 2 -12.181 -17.613 -9.060 1.00 0.00 C ATOM 11 O SER A 2 -12.885 -18.248 -9.846 1.00 0.00 O ATOM 12 CB SER A 2 -10.753 -15.678 -9.751 1.00 0.00 C ATOM 13 OG SER A 2 -9.465 -15.130 -9.535 1.00 0.00 O ATOM 0 H SER A 2 -10.743 -17.685 -11.483 1.00 0.00 H new ATOM 0 HA SER A 2 -10.105 -17.381 -8.610 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.055 -15.509 -10.785 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.480 -15.167 -9.119 1.00 0.00 H new ATOM 0 HG SER A 2 -9.479 -14.171 -9.737 1.00 0.00 H new ATOM 19 N SER A 3 -12.587 -17.266 -7.843 1.00 0.00 N ATOM 20 CA SER A 3 -13.911 -17.623 -7.348 1.00 0.00 C ATOM 21 C SER A 3 -14.730 -16.374 -7.035 1.00 0.00 C ATOM 22 O SER A 3 -14.657 -15.830 -5.934 1.00 0.00 O ATOM 23 CB SER A 3 -13.793 -18.496 -6.096 1.00 0.00 C ATOM 24 OG SER A 3 -13.050 -17.838 -5.085 1.00 0.00 O ATOM 0 H SER A 3 -12.018 -16.738 -7.182 1.00 0.00 H new ATOM 0 HA SER A 3 -14.423 -18.186 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.788 -18.737 -5.722 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.311 -19.440 -6.351 1.00 0.00 H new ATOM 0 HG SER A 3 -13.330 -16.901 -5.031 1.00 0.00 H new ATOM 30 N GLY A 4 -15.509 -15.924 -8.014 1.00 0.00 N ATOM 31 CA GLY A 4 -16.330 -14.743 -7.824 1.00 0.00 C ATOM 32 C GLY A 4 -15.639 -13.684 -6.989 1.00 0.00 C ATOM 33 O GLY A 4 -14.592 -13.164 -7.376 1.00 0.00 O ATOM 0 H GLY A 4 -15.586 -16.356 -8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.588 -14.323 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.265 -15.028 -7.342 1.00 0.00 H new ATOM 37 N SER A 5 -16.225 -13.361 -5.841 1.00 0.00 N ATOM 38 CA SER A 5 -15.661 -12.353 -4.951 1.00 0.00 C ATOM 39 C SER A 5 -15.940 -12.699 -3.492 1.00 0.00 C ATOM 40 O SER A 5 -17.094 -12.827 -3.082 1.00 0.00 O ATOM 41 CB SER A 5 -16.237 -10.974 -5.279 1.00 0.00 C ATOM 42 OG SER A 5 -15.445 -10.307 -6.247 1.00 0.00 O ATOM 0 H SER A 5 -17.091 -13.783 -5.505 1.00 0.00 H new ATOM 0 HA SER A 5 -14.582 -12.334 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.256 -11.081 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.290 -10.373 -4.371 1.00 0.00 H new ATOM 0 HG SER A 5 -14.998 -10.968 -6.816 1.00 0.00 H new ATOM 48 N SER A 6 -14.874 -12.849 -2.712 1.00 0.00 N ATOM 49 CA SER A 6 -15.003 -13.184 -1.299 1.00 0.00 C ATOM 50 C SER A 6 -13.796 -12.684 -0.510 1.00 0.00 C ATOM 51 O SER A 6 -12.665 -12.722 -0.993 1.00 0.00 O ATOM 52 CB SER A 6 -15.149 -14.697 -1.123 1.00 0.00 C ATOM 53 OG SER A 6 -13.901 -15.351 -1.269 1.00 0.00 O ATOM 0 H SER A 6 -13.912 -12.744 -3.035 1.00 0.00 H new ATOM 0 HA SER A 6 -15.897 -12.692 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.563 -14.913 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.854 -15.085 -1.858 1.00 0.00 H new ATOM 0 HG SER A 6 -14.022 -16.316 -1.150 1.00 0.00 H new ATOM 59 N GLY A 7 -14.047 -12.214 0.709 1.00 0.00 N ATOM 60 CA GLY A 7 -12.973 -11.713 1.546 1.00 0.00 C ATOM 61 C GLY A 7 -12.240 -10.547 0.912 1.00 0.00 C ATOM 62 O GLY A 7 -11.714 -10.664 -0.196 1.00 0.00 O ATOM 0 H GLY A 7 -14.975 -12.172 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.381 -11.402 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.266 -12.518 1.745 1.00 0.00 H new ATOM 66 N ILE A 8 -12.206 -9.419 1.614 1.00 0.00 N ATOM 67 CA ILE A 8 -11.532 -8.228 1.112 1.00 0.00 C ATOM 68 C ILE A 8 -10.018 -8.411 1.112 1.00 0.00 C ATOM 69 O ILE A 8 -9.314 -7.858 0.266 1.00 0.00 O ATOM 70 CB ILE A 8 -11.888 -6.985 1.949 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.346 -6.585 1.714 1.00 0.00 C ATOM 72 CG2 ILE A 8 -10.955 -5.833 1.609 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.315 -7.246 2.668 1.00 0.00 C ATOM 0 H ILE A 8 -12.637 -9.305 2.531 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.877 -8.078 0.089 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.764 -7.228 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.437 -5.503 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.624 -6.840 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.219 -4.962 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.926 -6.123 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.050 -5.588 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.329 -6.916 2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.253 -8.329 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.063 -6.970 3.692 1.00 0.00 H new ATOM 85 N LYS A 9 -9.522 -9.193 2.065 1.00 0.00 N ATOM 86 CA LYS A 9 -8.092 -9.453 2.175 1.00 0.00 C ATOM 87 C LYS A 9 -7.521 -9.926 0.842 1.00 0.00 C ATOM 88 O LYS A 9 -6.320 -9.814 0.597 1.00 0.00 O ATOM 89 CB LYS A 9 -7.825 -10.501 3.258 1.00 0.00 C ATOM 90 CG LYS A 9 -6.348 -10.750 3.513 1.00 0.00 C ATOM 91 CD LYS A 9 -6.132 -11.596 4.756 1.00 0.00 C ATOM 92 CE LYS A 9 -4.675 -12.006 4.905 1.00 0.00 C ATOM 93 NZ LYS A 9 -3.848 -10.911 5.484 1.00 0.00 N ATOM 0 H LYS A 9 -10.090 -9.658 2.773 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.599 -8.521 2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.296 -10.180 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.298 -11.439 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.908 -11.250 2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.832 -9.797 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.446 -11.036 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.758 -12.487 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.609 -12.887 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.275 -12.287 3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.862 -11.229 5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.890 -10.078 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.214 -10.660 6.425 1.00 0.00 H new ATOM 107 N GLN A 10 -8.390 -10.453 -0.015 1.00 0.00 N ATOM 108 CA GLN A 10 -7.970 -10.942 -1.323 1.00 0.00 C ATOM 109 C GLN A 10 -8.037 -9.832 -2.366 1.00 0.00 C ATOM 110 O GLN A 10 -7.013 -9.405 -2.898 1.00 0.00 O ATOM 111 CB GLN A 10 -8.847 -12.119 -1.756 1.00 0.00 C ATOM 112 CG GLN A 10 -8.199 -13.006 -2.806 1.00 0.00 C ATOM 113 CD GLN A 10 -7.805 -12.241 -4.054 1.00 0.00 C ATOM 114 OE1 GLN A 10 -8.588 -11.454 -4.587 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.585 -12.469 -4.527 1.00 0.00 N ATOM 0 H GLN A 10 -9.388 -10.552 0.173 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.936 -11.278 -1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.088 -12.723 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.789 -11.735 -2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.314 -13.479 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.889 -13.805 -3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.969 -13.130 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.264 -11.983 -5.364 1.00 0.00 H new ATOM 124 N MET A 11 -9.249 -9.369 -2.653 1.00 0.00 N ATOM 125 CA MET A 11 -9.449 -8.307 -3.633 1.00 0.00 C ATOM 126 C MET A 11 -8.379 -7.228 -3.491 1.00 0.00 C ATOM 127 O MET A 11 -8.014 -6.570 -4.466 1.00 0.00 O ATOM 128 CB MET A 11 -10.838 -7.689 -3.471 1.00 0.00 C ATOM 129 CG MET A 11 -10.894 -6.585 -2.427 1.00 0.00 C ATOM 130 SD MET A 11 -10.524 -4.960 -3.115 1.00 0.00 S ATOM 131 CE MET A 11 -11.888 -3.998 -2.466 1.00 0.00 C ATOM 0 H MET A 11 -10.107 -9.712 -2.221 1.00 0.00 H new ATOM 0 HA MET A 11 -9.369 -8.745 -4.628 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.162 -7.287 -4.431 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.546 -8.472 -3.198 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.886 -6.567 -1.976 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.185 -6.808 -1.630 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.799 -2.966 -2.805 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.830 -4.417 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.866 -4.025 -1.377 1.00 0.00 H new ATOM 141 N LEU A 12 -7.882 -7.052 -2.272 1.00 0.00 N ATOM 142 CA LEU A 12 -6.854 -6.052 -2.002 1.00 0.00 C ATOM 143 C LEU A 12 -5.541 -6.423 -2.685 1.00 0.00 C ATOM 144 O LEU A 12 -4.953 -5.614 -3.404 1.00 0.00 O ATOM 145 CB LEU A 12 -6.636 -5.911 -0.495 1.00 0.00 C ATOM 146 CG LEU A 12 -7.704 -5.125 0.267 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.507 -5.274 1.768 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.673 -3.657 -0.133 1.00 0.00 C ATOM 0 H LEU A 12 -8.174 -7.588 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.195 -5.098 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.571 -6.909 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.672 -5.429 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.681 -5.531 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.276 -4.708 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.580 -6.327 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.524 -4.894 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.440 -3.113 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.694 -3.238 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.864 -3.567 -1.202 1.00 0.00 H new ATOM 160 N LEU A 13 -5.088 -7.651 -2.458 1.00 0.00 N ATOM 161 CA LEU A 13 -3.846 -8.131 -3.053 1.00 0.00 C ATOM 162 C LEU A 13 -3.917 -8.082 -4.575 1.00 0.00 C ATOM 163 O LEU A 13 -2.982 -7.630 -5.237 1.00 0.00 O ATOM 164 CB LEU A 13 -3.553 -9.559 -2.589 1.00 0.00 C ATOM 165 CG LEU A 13 -2.096 -10.010 -2.685 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.232 -9.238 -1.701 1.00 0.00 C ATOM 167 CD2 LEU A 13 -1.984 -11.507 -2.436 1.00 0.00 C ATOM 0 H LEU A 13 -5.563 -8.333 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.038 -7.477 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.875 -9.656 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.164 -10.243 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.737 -9.801 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.198 -9.573 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.288 -8.173 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.590 -9.414 -0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.940 -11.811 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.361 -11.739 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.571 -12.045 -3.181 1.00 0.00 H new ATOM 179 N ASP A 14 -5.033 -8.549 -5.125 1.00 0.00 N ATOM 180 CA ASP A 14 -5.228 -8.556 -6.570 1.00 0.00 C ATOM 181 C ASP A 14 -5.205 -7.137 -7.129 1.00 0.00 C ATOM 182 O ASP A 14 -4.600 -6.878 -8.169 1.00 0.00 O ATOM 183 CB ASP A 14 -6.552 -9.235 -6.924 1.00 0.00 C ATOM 184 CG ASP A 14 -6.751 -9.372 -8.421 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.904 -10.015 -9.076 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.754 -8.837 -8.937 1.00 0.00 O ATOM 0 H ASP A 14 -5.816 -8.927 -4.592 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.409 -9.117 -7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.585 -10.223 -6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.376 -8.660 -6.502 1.00 0.00 H new ATOM 191 N TRP A 15 -5.869 -6.221 -6.432 1.00 0.00 N ATOM 192 CA TRP A 15 -5.925 -4.828 -6.859 1.00 0.00 C ATOM 193 C TRP A 15 -4.553 -4.170 -6.753 1.00 0.00 C ATOM 194 O TRP A 15 -4.117 -3.472 -7.669 1.00 0.00 O ATOM 195 CB TRP A 15 -6.941 -4.055 -6.016 1.00 0.00 C ATOM 196 CG TRP A 15 -6.958 -2.585 -6.306 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.604 -1.959 -7.334 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.296 -1.557 -5.560 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.384 -0.604 -7.272 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.586 -0.332 -6.193 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.490 -1.552 -4.419 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -6.096 0.883 -5.721 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -5.004 -0.346 -3.953 1.00 0.00 C ATOM 204 CH2 TRP A 15 -5.308 0.858 -4.602 1.00 0.00 C ATOM 0 H TRP A 15 -6.376 -6.418 -5.569 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.238 -4.807 -7.903 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.936 -4.464 -6.193 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.717 -4.207 -4.960 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.200 -2.456 -8.085 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.755 0.087 -7.924 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.251 -2.474 -3.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.329 1.812 -6.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.379 -0.331 -3.073 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.913 1.784 -4.212 1.00 0.00 H new ATOM 215 N CYS A 16 -3.878 -4.397 -5.632 1.00 0.00 N ATOM 216 CA CYS A 16 -2.556 -3.825 -5.406 1.00 0.00 C ATOM 217 C CYS A 16 -1.654 -4.047 -6.616 1.00 0.00 C ATOM 218 O CYS A 16 -0.943 -3.140 -7.048 1.00 0.00 O ATOM 219 CB CYS A 16 -1.917 -4.440 -4.160 1.00 0.00 C ATOM 220 SG CYS A 16 -2.524 -3.750 -2.603 1.00 0.00 S ATOM 0 H CYS A 16 -4.225 -4.973 -4.865 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.673 -2.752 -5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.099 -5.515 -4.164 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.837 -4.299 -4.211 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.722 -4.196 -2.369 1.00 0.00 H new ATOM 226 N ARG A 17 -1.688 -5.260 -7.159 1.00 0.00 N ATOM 227 CA ARG A 17 -0.872 -5.603 -8.317 1.00 0.00 C ATOM 228 C ARG A 17 -1.246 -4.741 -9.520 1.00 0.00 C ATOM 229 O ARG A 17 -0.384 -4.134 -10.153 1.00 0.00 O ATOM 230 CB ARG A 17 -1.039 -7.083 -8.666 1.00 0.00 C ATOM 231 CG ARG A 17 -0.283 -8.017 -7.734 1.00 0.00 C ATOM 232 CD ARG A 17 -0.956 -9.377 -7.643 1.00 0.00 C ATOM 233 NE ARG A 17 -0.858 -10.121 -8.896 1.00 0.00 N ATOM 234 CZ ARG A 17 0.260 -10.695 -9.324 1.00 0.00 C ATOM 235 NH1 ARG A 17 1.370 -10.613 -8.604 1.00 0.00 N ATOM 236 NH2 ARG A 17 0.270 -11.355 -10.476 1.00 0.00 N ATOM 0 H ARG A 17 -2.273 -6.022 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 17 0.171 -5.412 -8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.099 -7.337 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.697 -7.248 -9.688 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.740 -8.139 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.223 -7.572 -6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.497 -9.955 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.006 -9.245 -7.381 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.694 -10.204 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.367 -10.108 -7.718 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.227 -11.055 -8.936 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.582 -11.421 -11.033 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.130 -11.796 -10.804 1.00 0.00 H new ATOM 250 N ALA A 18 -2.538 -4.693 -9.827 1.00 0.00 N ATOM 251 CA ALA A 18 -3.027 -3.905 -10.952 1.00 0.00 C ATOM 252 C ALA A 18 -2.439 -2.498 -10.933 1.00 0.00 C ATOM 253 O ALA A 18 -2.215 -1.893 -11.982 1.00 0.00 O ATOM 254 CB ALA A 18 -4.547 -3.844 -10.933 1.00 0.00 C ATOM 0 H ALA A 18 -3.265 -5.190 -9.313 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.706 -4.393 -11.872 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.898 -3.252 -11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.953 -4.853 -11.003 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.881 -3.382 -10.004 1.00 0.00 H new ATOM 260 N LYS A 19 -2.192 -1.981 -9.734 1.00 0.00 N ATOM 261 CA LYS A 19 -1.630 -0.645 -9.577 1.00 0.00 C ATOM 262 C LYS A 19 -0.111 -0.706 -9.443 1.00 0.00 C ATOM 263 O LYS A 19 0.589 0.260 -9.747 1.00 0.00 O ATOM 264 CB LYS A 19 -2.233 0.044 -8.351 1.00 0.00 C ATOM 265 CG LYS A 19 -3.750 0.109 -8.375 1.00 0.00 C ATOM 266 CD LYS A 19 -4.247 1.225 -9.279 1.00 0.00 C ATOM 267 CE LYS A 19 -5.673 0.973 -9.743 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.369 2.238 -10.107 1.00 0.00 N ATOM 0 H LYS A 19 -2.373 -2.468 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.876 -0.068 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.915 -0.486 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.835 1.056 -8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.150 -0.845 -8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.124 0.265 -7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.199 2.175 -8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.591 1.312 -10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.662 0.304 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.228 0.467 -8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.338 2.024 -10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.402 2.867 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.854 2.708 -10.878 1.00 0.00 H new ATOM 282 N THR A 20 0.393 -1.849 -8.988 1.00 0.00 N ATOM 283 CA THR A 20 1.828 -2.036 -8.814 1.00 0.00 C ATOM 284 C THR A 20 2.373 -3.058 -9.805 1.00 0.00 C ATOM 285 O THR A 20 3.287 -3.819 -9.487 1.00 0.00 O ATOM 286 CB THR A 20 2.165 -2.495 -7.383 1.00 0.00 C ATOM 287 OG1 THR A 20 1.526 -1.638 -6.431 1.00 0.00 O ATOM 288 CG2 THR A 20 3.669 -2.485 -7.153 1.00 0.00 C ATOM 0 H THR A 20 -0.172 -2.659 -8.733 1.00 0.00 H new ATOM 0 HA THR A 20 2.298 -1.070 -8.998 1.00 0.00 H new ATOM 0 HB THR A 20 1.800 -3.514 -7.256 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.574 -1.862 -6.377 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.884 -2.813 -6.136 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.150 -3.160 -7.861 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.052 -1.475 -7.297 1.00 0.00 H new ATOM 296 N ARG A 21 1.806 -3.070 -11.007 1.00 0.00 N ATOM 297 CA ARG A 21 2.236 -4.000 -12.045 1.00 0.00 C ATOM 298 C ARG A 21 3.212 -3.328 -13.007 1.00 0.00 C ATOM 299 O ARG A 21 2.985 -2.205 -13.453 1.00 0.00 O ATOM 300 CB ARG A 21 1.026 -4.530 -12.817 1.00 0.00 C ATOM 301 CG ARG A 21 0.140 -3.435 -13.388 1.00 0.00 C ATOM 302 CD ARG A 21 -0.911 -4.004 -14.329 1.00 0.00 C ATOM 303 NE ARG A 21 -1.570 -2.959 -15.108 1.00 0.00 N ATOM 304 CZ ARG A 21 -2.539 -3.197 -15.985 1.00 0.00 C ATOM 305 NH1 ARG A 21 -2.960 -4.437 -16.192 1.00 0.00 N ATOM 306 NH2 ARG A 21 -3.090 -2.193 -16.655 1.00 0.00 N ATOM 0 H ARG A 21 1.048 -2.447 -11.286 1.00 0.00 H new ATOM 0 HA ARG A 21 2.745 -4.834 -11.562 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.375 -5.165 -13.631 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.431 -5.159 -12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.350 -2.900 -12.574 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.754 -2.710 -13.922 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.443 -4.720 -15.005 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.657 -4.551 -13.752 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.270 -1.994 -14.971 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.540 -5.211 -15.677 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.704 -4.617 -16.866 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.770 -1.238 -16.497 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.834 -2.377 -17.328 1.00 0.00 H new ATOM 320 N GLY A 22 4.300 -4.026 -13.321 1.00 0.00 N ATOM 321 CA GLY A 22 5.294 -3.481 -14.226 1.00 0.00 C ATOM 322 C GLY A 22 6.553 -3.038 -13.507 1.00 0.00 C ATOM 323 O GLY A 22 7.661 -3.224 -14.010 1.00 0.00 O ATOM 0 H GLY A 22 4.510 -4.958 -12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.551 -4.232 -14.973 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.867 -2.633 -14.761 1.00 0.00 H new ATOM 327 N TYR A 23 6.383 -2.450 -12.329 1.00 0.00 N ATOM 328 CA TYR A 23 7.515 -1.976 -11.541 1.00 0.00 C ATOM 329 C TYR A 23 8.544 -3.085 -11.343 1.00 0.00 C ATOM 330 O TYR A 23 8.280 -4.077 -10.665 1.00 0.00 O ATOM 331 CB TYR A 23 7.037 -1.460 -10.182 1.00 0.00 C ATOM 332 CG TYR A 23 6.184 -0.215 -10.273 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.764 1.042 -10.389 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.797 -0.297 -10.244 1.00 0.00 C ATOM 335 CE1 TYR A 23 5.988 2.182 -10.472 1.00 0.00 C ATOM 336 CE2 TYR A 23 4.013 0.838 -10.327 1.00 0.00 C ATOM 337 CZ TYR A 23 4.613 2.075 -10.440 1.00 0.00 C ATOM 338 OH TYR A 23 3.837 3.208 -10.524 1.00 0.00 O ATOM 0 H TYR A 23 5.472 -2.290 -11.898 1.00 0.00 H new ATOM 0 HA TYR A 23 7.988 -1.160 -12.087 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.467 -2.245 -9.685 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.905 -1.251 -9.556 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.840 1.130 -10.415 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.324 -1.264 -10.155 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.455 3.152 -10.561 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.936 0.757 -10.304 1.00 0.00 H new ATOM 0 HH TYR A 23 2.901 2.978 -10.345 1.00 0.00 H new ATOM 348 N GLU A 24 9.718 -2.907 -11.940 1.00 0.00 N ATOM 349 CA GLU A 24 10.787 -3.892 -11.831 1.00 0.00 C ATOM 350 C GLU A 24 11.238 -4.046 -10.381 1.00 0.00 C ATOM 351 O GLU A 24 11.258 -3.079 -9.619 1.00 0.00 O ATOM 352 CB GLU A 24 11.976 -3.487 -12.705 1.00 0.00 C ATOM 353 CG GLU A 24 13.033 -4.571 -12.835 1.00 0.00 C ATOM 354 CD GLU A 24 12.519 -5.804 -13.553 1.00 0.00 C ATOM 355 OE1 GLU A 24 11.725 -6.555 -12.947 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.910 -6.019 -14.719 1.00 0.00 O ATOM 0 H GLU A 24 9.953 -2.090 -12.504 1.00 0.00 H new ATOM 0 HA GLU A 24 10.400 -4.850 -12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.613 -3.224 -13.699 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.435 -2.592 -12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.892 -4.173 -13.375 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.383 -4.853 -11.842 1.00 0.00 H new ATOM 363 N HIS A 25 11.598 -5.270 -10.006 1.00 0.00 N ATOM 364 CA HIS A 25 12.049 -5.552 -8.648 1.00 0.00 C ATOM 365 C HIS A 25 10.907 -5.381 -7.651 1.00 0.00 C ATOM 366 O HIS A 25 11.115 -4.928 -6.525 1.00 0.00 O ATOM 367 CB HIS A 25 13.212 -4.633 -8.273 1.00 0.00 C ATOM 368 CG HIS A 25 14.187 -4.415 -9.388 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.818 -5.448 -10.049 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.638 -3.274 -9.959 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.616 -4.951 -10.978 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.525 -3.634 -10.944 1.00 0.00 N ATOM 0 H HIS A 25 11.586 -6.082 -10.624 1.00 0.00 H new ATOM 0 HA HIS A 25 12.388 -6.587 -8.611 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.815 -3.669 -7.955 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.739 -5.058 -7.419 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.353 -2.267 -9.690 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.237 -5.524 -11.650 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.031 -2.989 -11.551 1.00 0.00 H new ATOM 381 N VAL A 26 9.701 -5.747 -8.071 1.00 0.00 N ATOM 382 CA VAL A 26 8.526 -5.634 -7.215 1.00 0.00 C ATOM 383 C VAL A 26 7.567 -6.797 -7.442 1.00 0.00 C ATOM 384 O VAL A 26 7.426 -7.290 -8.562 1.00 0.00 O ATOM 385 CB VAL A 26 7.778 -4.311 -7.459 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.528 -4.236 -6.596 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.692 -3.125 -7.192 1.00 0.00 C ATOM 0 H VAL A 26 9.511 -6.125 -8.999 1.00 0.00 H new ATOM 0 HA VAL A 26 8.882 -5.656 -6.185 1.00 0.00 H new ATOM 0 HB VAL A 26 7.471 -4.276 -8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.013 -3.294 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.866 -5.066 -6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.808 -4.294 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.147 -2.198 -7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.032 -3.153 -6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.553 -3.172 -7.858 1.00 0.00 H new ATOM 397 N ASP A 27 6.908 -7.231 -6.373 1.00 0.00 N ATOM 398 CA ASP A 27 5.960 -8.336 -6.456 1.00 0.00 C ATOM 399 C ASP A 27 5.156 -8.461 -5.165 1.00 0.00 C ATOM 400 O ASP A 27 5.669 -8.923 -4.146 1.00 0.00 O ATOM 401 CB ASP A 27 6.695 -9.647 -6.742 1.00 0.00 C ATOM 402 CG ASP A 27 6.968 -9.847 -8.220 1.00 0.00 C ATOM 403 OD1 ASP A 27 5.994 -9.928 -8.997 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.155 -9.922 -8.599 1.00 0.00 O ATOM 0 H ASP A 27 7.013 -6.835 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 27 5.270 -8.129 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.639 -9.658 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.102 -10.482 -6.369 1.00 0.00 H new ATOM 409 N ILE A 28 3.896 -8.044 -5.217 1.00 0.00 N ATOM 410 CA ILE A 28 3.022 -8.109 -4.052 1.00 0.00 C ATOM 411 C ILE A 28 2.358 -9.477 -3.938 1.00 0.00 C ATOM 412 O ILE A 28 1.257 -9.687 -4.448 1.00 0.00 O ATOM 413 CB ILE A 28 1.931 -7.024 -4.105 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.566 -5.632 -4.128 1.00 0.00 C ATOM 415 CG2 ILE A 28 0.988 -7.162 -2.919 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.568 -4.516 -4.344 1.00 0.00 C ATOM 0 H ILE A 28 3.457 -7.658 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 28 3.650 -7.939 -3.177 1.00 0.00 H new ATOM 0 HB ILE A 28 1.354 -7.155 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.088 -5.464 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.315 -5.596 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.222 -6.388 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.514 -8.143 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.551 -7.054 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.088 -3.558 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.063 -4.659 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.832 -4.525 -3.540 1.00 0.00 H new ATOM 428 N GLN A 29 3.033 -10.403 -3.265 1.00 0.00 N ATOM 429 CA GLN A 29 2.507 -11.751 -3.084 1.00 0.00 C ATOM 430 C GLN A 29 1.652 -11.837 -1.824 1.00 0.00 C ATOM 431 O GLN A 29 0.599 -12.473 -1.820 1.00 0.00 O ATOM 432 CB GLN A 29 3.653 -12.762 -3.007 1.00 0.00 C ATOM 433 CG GLN A 29 4.062 -13.322 -4.360 1.00 0.00 C ATOM 434 CD GLN A 29 5.288 -14.210 -4.277 1.00 0.00 C ATOM 435 OE1 GLN A 29 6.420 -13.736 -4.373 1.00 0.00 O ATOM 436 NE2 GLN A 29 5.068 -15.507 -4.098 1.00 0.00 N ATOM 0 H GLN A 29 3.945 -10.245 -2.836 1.00 0.00 H new ATOM 0 HA GLN A 29 1.880 -11.988 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.517 -12.285 -2.544 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.357 -13.585 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.233 -13.892 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.261 -12.498 -5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.113 -15.857 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.854 -16.154 -4.035 1.00 0.00 H new ATOM 445 N ASN A 30 2.113 -11.192 -0.757 1.00 0.00 N ATOM 446 CA ASN A 30 1.390 -11.197 0.509 1.00 0.00 C ATOM 447 C ASN A 30 1.622 -9.896 1.273 1.00 0.00 C ATOM 448 O ASN A 30 2.468 -9.085 0.896 1.00 0.00 O ATOM 449 CB ASN A 30 1.825 -12.388 1.365 1.00 0.00 C ATOM 450 CG ASN A 30 3.266 -12.787 1.110 1.00 0.00 C ATOM 451 OD1 ASN A 30 4.177 -11.829 1.239 1.00 0.00 O flip ATOM 452 ND2 ASN A 30 3.556 -13.943 0.800 1.00 0.00 N flip ATOM 0 H ASN A 30 2.983 -10.660 -0.744 1.00 0.00 H new ATOM 0 HA ASN A 30 0.326 -11.285 0.290 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.701 -12.139 2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.174 -13.237 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.823 -14.647 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.529 -14.197 0.631 1.00 0.00 H new ATOM 459 N PHE A 31 0.865 -9.705 2.348 1.00 0.00 N ATOM 460 CA PHE A 31 0.988 -8.503 3.165 1.00 0.00 C ATOM 461 C PHE A 31 1.779 -8.789 4.438 1.00 0.00 C ATOM 462 O PHE A 31 1.414 -8.336 5.523 1.00 0.00 O ATOM 463 CB PHE A 31 -0.397 -7.960 3.523 1.00 0.00 C ATOM 464 CG PHE A 31 -1.311 -7.820 2.338 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.135 -6.789 1.430 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.344 -8.720 2.134 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.974 -6.657 0.339 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.186 -8.593 1.044 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.001 -7.560 0.146 1.00 0.00 C ATOM 0 H PHE A 31 0.160 -10.366 2.674 1.00 0.00 H new ATOM 0 HA PHE A 31 1.526 -7.753 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.861 -8.623 4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.285 -6.987 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.333 -6.080 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.494 -9.529 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.826 -5.848 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.988 -9.301 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.658 -7.459 -0.705 1.00 0.00 H new ATOM 479 N SER A 32 2.863 -9.544 4.297 1.00 0.00 N ATOM 480 CA SER A 32 3.704 -9.895 5.435 1.00 0.00 C ATOM 481 C SER A 32 5.148 -9.465 5.197 1.00 0.00 C ATOM 482 O SER A 32 5.646 -8.539 5.837 1.00 0.00 O ATOM 483 CB SER A 32 3.645 -11.402 5.695 1.00 0.00 C ATOM 484 OG SER A 32 3.901 -11.695 7.058 1.00 0.00 O ATOM 0 H SER A 32 3.180 -9.925 3.405 1.00 0.00 H new ATOM 0 HA SER A 32 3.326 -9.367 6.311 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.663 -11.784 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.376 -11.911 5.067 1.00 0.00 H new ATOM 0 HG SER A 32 4.859 -11.860 7.183 1.00 0.00 H new ATOM 490 N SER A 33 5.817 -10.145 4.271 1.00 0.00 N ATOM 491 CA SER A 33 7.205 -9.837 3.950 1.00 0.00 C ATOM 492 C SER A 33 7.352 -9.466 2.477 1.00 0.00 C ATOM 493 O SER A 33 8.367 -9.766 1.848 1.00 0.00 O ATOM 494 CB SER A 33 8.104 -11.031 4.278 1.00 0.00 C ATOM 495 OG SER A 33 7.820 -12.132 3.432 1.00 0.00 O ATOM 0 H SER A 33 5.420 -10.913 3.730 1.00 0.00 H new ATOM 0 HA SER A 33 7.511 -8.984 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.150 -10.744 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.962 -11.322 5.319 1.00 0.00 H new ATOM 0 HG SER A 33 8.409 -12.881 3.661 1.00 0.00 H new ATOM 501 N SER A 34 6.331 -8.811 1.934 1.00 0.00 N ATOM 502 CA SER A 34 6.344 -8.401 0.534 1.00 0.00 C ATOM 503 C SER A 34 6.704 -6.924 0.404 1.00 0.00 C ATOM 504 O SER A 34 7.350 -6.514 -0.560 1.00 0.00 O ATOM 505 CB SER A 34 4.981 -8.664 -0.109 1.00 0.00 C ATOM 506 OG SER A 34 5.101 -8.822 -1.512 1.00 0.00 O ATOM 0 H SER A 34 5.485 -8.553 2.441 1.00 0.00 H new ATOM 0 HA SER A 34 7.102 -8.989 0.016 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.538 -9.561 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.306 -7.837 0.111 1.00 0.00 H new ATOM 0 HG SER A 34 5.557 -9.667 -1.708 1.00 0.00 H new ATOM 512 N TRP A 35 6.281 -6.131 1.382 1.00 0.00 N ATOM 513 CA TRP A 35 6.558 -4.699 1.377 1.00 0.00 C ATOM 514 C TRP A 35 7.785 -4.379 2.223 1.00 0.00 C ATOM 515 O TRP A 35 8.456 -3.370 2.004 1.00 0.00 O ATOM 516 CB TRP A 35 5.347 -3.923 1.899 1.00 0.00 C ATOM 517 CG TRP A 35 4.040 -4.447 1.387 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.455 -5.640 1.702 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.157 -3.796 0.467 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.262 -5.770 1.034 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.055 -4.652 0.270 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.188 -2.573 -0.208 1.00 0.00 C ATOM 523 CZ2 TRP A 35 0.998 -4.322 -0.574 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.138 -2.247 -1.046 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.055 -3.118 -1.222 1.00 0.00 C ATOM 0 H TRP A 35 5.746 -6.455 2.188 1.00 0.00 H new ATOM 0 HA TRP A 35 6.760 -4.397 0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.343 -3.960 2.988 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.446 -2.875 1.616 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.870 -6.374 2.377 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.632 -6.570 1.097 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.018 -1.894 -0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.163 -4.992 -0.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.153 -1.305 -1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.249 -2.834 -1.882 1.00 0.00 H new ATOM 536 N SER A 36 8.074 -5.244 3.190 1.00 0.00 N ATOM 537 CA SER A 36 9.220 -5.051 4.071 1.00 0.00 C ATOM 538 C SER A 36 10.385 -4.418 3.317 1.00 0.00 C ATOM 539 O SER A 36 11.082 -3.551 3.844 1.00 0.00 O ATOM 540 CB SER A 36 9.655 -6.387 4.677 1.00 0.00 C ATOM 541 OG SER A 36 9.964 -7.329 3.664 1.00 0.00 O ATOM 0 H SER A 36 7.530 -6.085 3.383 1.00 0.00 H new ATOM 0 HA SER A 36 8.920 -4.377 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.526 -6.235 5.314 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.860 -6.778 5.312 1.00 0.00 H new ATOM 0 HG SER A 36 10.241 -8.174 4.076 1.00 0.00 H new ATOM 547 N ASP A 37 10.590 -4.858 2.081 1.00 0.00 N ATOM 548 CA ASP A 37 11.670 -4.335 1.252 1.00 0.00 C ATOM 549 C ASP A 37 11.628 -2.811 1.203 1.00 0.00 C ATOM 550 O ASP A 37 12.557 -2.140 1.649 1.00 0.00 O ATOM 551 CB ASP A 37 11.577 -4.905 -0.164 1.00 0.00 C ATOM 552 CG ASP A 37 12.220 -6.273 -0.281 1.00 0.00 C ATOM 553 OD1 ASP A 37 11.648 -7.246 0.255 1.00 0.00 O ATOM 554 OD2 ASP A 37 13.294 -6.372 -0.909 1.00 0.00 O ATOM 0 H ASP A 37 10.022 -5.576 1.630 1.00 0.00 H new ATOM 0 HA ASP A 37 12.617 -4.641 1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.529 -4.973 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.059 -4.219 -0.861 1.00 0.00 H new ATOM 559 N GLY A 38 10.542 -2.271 0.657 1.00 0.00 N ATOM 560 CA GLY A 38 10.400 -0.830 0.559 1.00 0.00 C ATOM 561 C GLY A 38 9.762 -0.397 -0.746 1.00 0.00 C ATOM 562 O GLY A 38 8.630 0.085 -0.761 1.00 0.00 O ATOM 0 H GLY A 38 9.759 -2.806 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.796 -0.470 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.381 -0.364 0.652 1.00 0.00 H new ATOM 566 N MET A 39 10.490 -0.569 -1.844 1.00 0.00 N ATOM 567 CA MET A 39 9.988 -0.193 -3.161 1.00 0.00 C ATOM 568 C MET A 39 8.511 -0.547 -3.301 1.00 0.00 C ATOM 569 O MET A 39 7.711 0.261 -3.770 1.00 0.00 O ATOM 570 CB MET A 39 10.797 -0.888 -4.257 1.00 0.00 C ATOM 571 CG MET A 39 12.277 -0.541 -4.232 1.00 0.00 C ATOM 572 SD MET A 39 12.631 1.051 -5.000 1.00 0.00 S ATOM 573 CE MET A 39 13.207 0.528 -6.613 1.00 0.00 C ATOM 0 H MET A 39 11.429 -0.966 -1.848 1.00 0.00 H new ATOM 0 HA MET A 39 10.097 0.886 -3.269 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.683 -1.967 -4.152 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.385 -0.617 -5.229 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.625 -0.527 -3.199 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.838 -1.321 -4.747 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.466 1.404 -7.208 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.087 -0.105 -6.498 1.00 0.00 H new ATOM 0 HE3 MET A 39 12.420 -0.033 -7.116 1.00 0.00 H new ATOM 583 N ALA A 40 8.157 -1.761 -2.891 1.00 0.00 N ATOM 584 CA ALA A 40 6.776 -2.221 -2.969 1.00 0.00 C ATOM 585 C ALA A 40 5.800 -1.073 -2.733 1.00 0.00 C ATOM 586 O ALA A 40 5.060 -0.678 -3.635 1.00 0.00 O ATOM 587 CB ALA A 40 6.533 -3.337 -1.964 1.00 0.00 C ATOM 0 H ALA A 40 8.808 -2.443 -2.502 1.00 0.00 H new ATOM 0 HA ALA A 40 6.605 -2.608 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.498 -3.670 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.199 -4.173 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.728 -2.969 -0.957 1.00 0.00 H new ATOM 593 N PHE A 41 5.804 -0.540 -1.515 1.00 0.00 N ATOM 594 CA PHE A 41 4.917 0.562 -1.161 1.00 0.00 C ATOM 595 C PHE A 41 5.046 1.707 -2.161 1.00 0.00 C ATOM 596 O PHE A 41 4.060 2.134 -2.762 1.00 0.00 O ATOM 597 CB PHE A 41 5.232 1.064 0.250 1.00 0.00 C ATOM 598 CG PHE A 41 4.485 0.331 1.328 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.119 0.503 1.481 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.150 -0.528 2.188 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.428 -0.170 2.471 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.464 -1.204 3.180 1.00 0.00 C ATOM 603 CZ PHE A 41 3.102 -1.024 3.323 1.00 0.00 C ATOM 0 H PHE A 41 6.411 -0.853 -0.758 1.00 0.00 H new ATOM 0 HA PHE A 41 3.891 0.194 -1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.303 0.967 0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.993 2.126 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.588 1.171 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.215 -0.671 2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.363 -0.029 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.993 -1.873 3.843 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.565 -1.549 4.099 1.00 0.00 H new ATOM 613 N CYS A 42 6.268 2.200 -2.332 1.00 0.00 N ATOM 614 CA CYS A 42 6.527 3.297 -3.258 1.00 0.00 C ATOM 615 C CYS A 42 5.793 3.080 -4.576 1.00 0.00 C ATOM 616 O CYS A 42 4.958 3.893 -4.974 1.00 0.00 O ATOM 617 CB CYS A 42 8.029 3.432 -3.513 1.00 0.00 C ATOM 618 SG CYS A 42 8.941 4.209 -2.158 1.00 0.00 S ATOM 0 H CYS A 42 7.094 1.858 -1.842 1.00 0.00 H new ATOM 0 HA CYS A 42 6.158 4.217 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.446 2.442 -3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.182 4.015 -4.421 1.00 0.00 H new ATOM 0 HG CYS A 42 8.450 3.813 -1.021 1.00 0.00 H new ATOM 624 N ALA A 43 6.110 1.980 -5.251 1.00 0.00 N ATOM 625 CA ALA A 43 5.480 1.656 -6.525 1.00 0.00 C ATOM 626 C ALA A 43 3.965 1.811 -6.443 1.00 0.00 C ATOM 627 O ALA A 43 3.360 2.527 -7.242 1.00 0.00 O ATOM 628 CB ALA A 43 5.846 0.242 -6.950 1.00 0.00 C ATOM 0 H ALA A 43 6.800 1.298 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 43 5.850 2.356 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.369 0.013 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.928 0.163 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.504 -0.465 -6.194 1.00 0.00 H new ATOM 634 N LEU A 44 3.358 1.135 -5.475 1.00 0.00 N ATOM 635 CA LEU A 44 1.912 1.196 -5.289 1.00 0.00 C ATOM 636 C LEU A 44 1.426 2.642 -5.273 1.00 0.00 C ATOM 637 O LEU A 44 0.406 2.972 -5.878 1.00 0.00 O ATOM 638 CB LEU A 44 1.515 0.499 -3.986 1.00 0.00 C ATOM 639 CG LEU A 44 0.038 0.586 -3.602 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.763 -0.493 -4.315 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.129 0.467 -2.094 1.00 0.00 C ATOM 0 H LEU A 44 3.844 0.538 -4.806 1.00 0.00 H new ATOM 0 HA LEU A 44 1.441 0.682 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.789 -0.553 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.106 0.924 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.342 1.559 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.812 -0.416 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.670 -0.363 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.382 -1.475 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.187 0.531 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.268 -0.491 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.412 1.276 -1.603 1.00 0.00 H new ATOM 653 N VAL A 45 2.166 3.502 -4.580 1.00 0.00 N ATOM 654 CA VAL A 45 1.812 4.914 -4.488 1.00 0.00 C ATOM 655 C VAL A 45 2.060 5.629 -5.812 1.00 0.00 C ATOM 656 O VAL A 45 1.131 6.144 -6.435 1.00 0.00 O ATOM 657 CB VAL A 45 2.611 5.621 -3.377 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.239 7.094 -3.308 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.377 4.940 -2.038 1.00 0.00 C ATOM 0 H VAL A 45 3.014 3.246 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 45 0.750 4.960 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 45 3.673 5.550 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.813 7.578 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.462 7.571 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.175 7.191 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.949 5.452 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.316 4.979 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.698 3.900 -2.098 1.00 0.00 H new ATOM 669 N HIS A 46 3.319 5.657 -6.236 1.00 0.00 N ATOM 670 CA HIS A 46 3.690 6.309 -7.487 1.00 0.00 C ATOM 671 C HIS A 46 2.581 6.164 -8.525 1.00 0.00 C ATOM 672 O HIS A 46 2.236 7.121 -9.217 1.00 0.00 O ATOM 673 CB HIS A 46 4.992 5.717 -8.029 1.00 0.00 C ATOM 674 CG HIS A 46 5.556 6.475 -9.191 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.848 7.789 -9.334 1.00 0.00 N flip ATOM 676 CD2 HIS A 46 5.885 5.879 -10.390 1.00 0.00 C flip ATOM 677 CE1 HIS A 46 6.344 7.961 -10.603 1.00 0.00 C flip ATOM 678 NE2 HIS A 46 6.356 6.793 -11.219 1.00 0.00 N flip ATOM 0 H HIS A 46 4.100 5.236 -5.732 1.00 0.00 H new ATOM 0 HA HIS A 46 3.838 7.370 -7.285 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.731 5.692 -7.228 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.814 4.685 -8.331 1.00 0.00 H new ATOM 0 HD1 HIS A 46 5.723 8.516 -8.630 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.775 4.829 -10.616 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.671 8.899 -11.028 1.00 0.00 H new ATOM 687 N ASN A 47 2.027 4.960 -8.627 1.00 0.00 N ATOM 688 CA ASN A 47 0.957 4.690 -9.581 1.00 0.00 C ATOM 689 C ASN A 47 -0.151 5.732 -9.466 1.00 0.00 C ATOM 690 O ASN A 47 -0.597 6.293 -10.467 1.00 0.00 O ATOM 691 CB ASN A 47 0.383 3.290 -9.352 1.00 0.00 C ATOM 692 CG ASN A 47 -0.299 2.736 -10.588 1.00 0.00 C ATOM 693 OD1 ASN A 47 -1.622 2.636 -10.539 1.00 0.00 O flip ATOM 694 ND2 ASN A 47 0.357 2.402 -11.575 1.00 0.00 N flip ATOM 0 H ASN A 47 2.301 4.157 -8.061 1.00 0.00 H new ATOM 0 HA ASN A 47 1.377 4.743 -10.585 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.185 2.616 -9.050 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.332 3.323 -8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.373 2.496 -11.568 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.115 2.031 -12.399 1.00 0.00 H new ATOM 701 N PHE A 48 -0.591 5.986 -8.238 1.00 0.00 N ATOM 702 CA PHE A 48 -1.647 6.961 -7.991 1.00 0.00 C ATOM 703 C PHE A 48 -1.156 8.378 -8.269 1.00 0.00 C ATOM 704 O PHE A 48 -1.732 9.099 -9.084 1.00 0.00 O ATOM 705 CB PHE A 48 -2.141 6.854 -6.547 1.00 0.00 C ATOM 706 CG PHE A 48 -2.157 5.447 -6.021 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.716 4.421 -6.767 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.613 5.151 -4.782 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.732 3.126 -6.285 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.626 3.857 -4.295 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.186 2.843 -5.048 1.00 0.00 C ATOM 0 H PHE A 48 -0.233 5.530 -7.399 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.473 6.743 -8.668 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.504 7.465 -5.907 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.147 7.268 -6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.144 4.636 -7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.174 5.940 -4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.171 2.335 -6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.199 3.639 -3.327 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.197 1.831 -4.670 1.00 0.00 H new ATOM 721 N PHE A 49 -0.086 8.772 -7.586 1.00 0.00 N ATOM 722 CA PHE A 49 0.483 10.103 -7.757 1.00 0.00 C ATOM 723 C PHE A 49 1.919 10.019 -8.268 1.00 0.00 C ATOM 724 O PHE A 49 2.878 9.979 -7.497 1.00 0.00 O ATOM 725 CB PHE A 49 0.445 10.871 -6.434 1.00 0.00 C ATOM 726 CG PHE A 49 -0.863 10.748 -5.707 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.076 9.716 -4.806 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.881 11.662 -5.924 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.278 9.600 -4.135 1.00 0.00 C ATOM 730 CE2 PHE A 49 -3.085 11.551 -5.255 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.285 10.518 -4.361 1.00 0.00 C ATOM 0 H PHE A 49 0.404 8.188 -6.909 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.117 10.635 -8.495 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.245 10.508 -5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.646 11.925 -6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.293 8.994 -4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.732 12.471 -6.624 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.430 8.792 -3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.869 12.272 -5.431 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.227 10.428 -3.840 1.00 0.00 H new ATOM 741 N PRO A 50 2.071 9.991 -9.600 1.00 0.00 N ATOM 742 CA PRO A 50 3.385 9.912 -10.245 1.00 0.00 C ATOM 743 C PRO A 50 4.190 11.197 -10.082 1.00 0.00 C ATOM 744 O PRO A 50 5.382 11.159 -9.778 1.00 0.00 O ATOM 745 CB PRO A 50 3.043 9.679 -11.719 1.00 0.00 C ATOM 746 CG PRO A 50 1.680 10.257 -11.888 1.00 0.00 C ATOM 747 CD PRO A 50 0.972 10.036 -10.580 1.00 0.00 C ATOM 0 HA PRO A 50 4.007 9.130 -9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.764 10.167 -12.375 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.056 8.617 -11.965 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.733 11.319 -12.128 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.149 9.771 -12.706 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.271 10.842 -10.361 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.400 9.108 -10.585 1.00 0.00 H new ATOM 755 N GLU A 51 3.530 12.333 -10.284 1.00 0.00 N ATOM 756 CA GLU A 51 4.185 13.629 -10.159 1.00 0.00 C ATOM 757 C GLU A 51 4.577 13.903 -8.710 1.00 0.00 C ATOM 758 O GLU A 51 5.525 14.640 -8.441 1.00 0.00 O ATOM 759 CB GLU A 51 3.267 14.742 -10.669 1.00 0.00 C ATOM 760 CG GLU A 51 1.944 14.827 -9.927 1.00 0.00 C ATOM 761 CD GLU A 51 1.345 16.220 -9.961 1.00 0.00 C ATOM 762 OE1 GLU A 51 2.005 17.162 -9.476 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.215 16.366 -10.473 1.00 0.00 O ATOM 0 H GLU A 51 2.543 12.382 -10.535 1.00 0.00 H new ATOM 0 HA GLU A 51 5.091 13.609 -10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.785 15.697 -10.582 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.070 14.582 -11.729 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.239 14.121 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.093 14.525 -8.890 1.00 0.00 H new ATOM 770 N ALA A 52 3.840 13.304 -7.780 1.00 0.00 N ATOM 771 CA ALA A 52 4.111 13.482 -6.359 1.00 0.00 C ATOM 772 C ALA A 52 5.575 13.198 -6.039 1.00 0.00 C ATOM 773 O ALA A 52 6.168 13.845 -5.176 1.00 0.00 O ATOM 774 CB ALA A 52 3.204 12.581 -5.533 1.00 0.00 C ATOM 0 H ALA A 52 3.051 12.691 -7.985 1.00 0.00 H new ATOM 0 HA ALA A 52 3.906 14.521 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.417 12.724 -4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.162 12.833 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.383 11.540 -5.802 1.00 0.00 H new ATOM 780 N PHE A 53 6.151 12.228 -6.740 1.00 0.00 N ATOM 781 CA PHE A 53 7.546 11.858 -6.529 1.00 0.00 C ATOM 782 C PHE A 53 8.017 10.880 -7.602 1.00 0.00 C ATOM 783 O PHE A 53 7.300 9.948 -7.966 1.00 0.00 O ATOM 784 CB PHE A 53 7.727 11.237 -5.143 1.00 0.00 C ATOM 785 CG PHE A 53 7.089 9.885 -5.003 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.745 9.705 -5.291 1.00 0.00 C ATOM 787 CD2 PHE A 53 7.832 8.793 -4.584 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.155 8.462 -5.163 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.248 7.547 -4.454 1.00 0.00 C ATOM 790 CZ PHE A 53 5.908 7.381 -4.745 1.00 0.00 C ATOM 0 H PHE A 53 5.674 11.684 -7.459 1.00 0.00 H new ATOM 0 HA PHE A 53 8.150 12.763 -6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.792 11.151 -4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.305 11.908 -4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.152 10.546 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.880 8.917 -4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.107 8.335 -5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.839 6.705 -4.125 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.449 6.408 -4.646 1.00 0.00 H new ATOM 800 N ASP A 54 9.227 11.100 -8.104 1.00 0.00 N ATOM 801 CA ASP A 54 9.796 10.239 -9.134 1.00 0.00 C ATOM 802 C ASP A 54 10.165 8.874 -8.560 1.00 0.00 C ATOM 803 O ASP A 54 10.991 8.774 -7.653 1.00 0.00 O ATOM 804 CB ASP A 54 11.031 10.896 -9.754 1.00 0.00 C ATOM 805 CG ASP A 54 10.734 12.273 -10.313 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.819 13.255 -9.546 1.00 0.00 O ATOM 807 OD2 ASP A 54 10.417 12.369 -11.517 1.00 0.00 O ATOM 0 H ASP A 54 9.833 11.868 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 54 9.043 10.096 -9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.815 10.974 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.417 10.259 -10.550 1.00 0.00 H new ATOM 812 N TYR A 55 9.546 7.827 -9.093 1.00 0.00 N ATOM 813 CA TYR A 55 9.806 6.469 -8.631 1.00 0.00 C ATOM 814 C TYR A 55 11.213 6.023 -9.017 1.00 0.00 C ATOM 815 O TYR A 55 12.043 5.735 -8.155 1.00 0.00 O ATOM 816 CB TYR A 55 8.775 5.502 -9.216 1.00 0.00 C ATOM 817 CG TYR A 55 9.083 4.048 -8.941 1.00 0.00 C ATOM 818 CD1 TYR A 55 8.674 3.443 -7.759 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.785 3.280 -9.861 1.00 0.00 C ATOM 820 CE1 TYR A 55 8.954 2.114 -7.503 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.068 1.950 -9.614 1.00 0.00 C ATOM 822 CZ TYR A 55 9.651 1.372 -8.433 1.00 0.00 C ATOM 823 OH TYR A 55 9.932 0.049 -8.183 1.00 0.00 O ATOM 0 H TYR A 55 8.861 7.893 -9.845 1.00 0.00 H new ATOM 0 HA TYR A 55 9.726 6.461 -7.544 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.793 5.740 -8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.717 5.655 -10.294 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.128 4.021 -7.028 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.115 3.730 -10.786 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.629 1.659 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.613 1.366 -10.342 1.00 0.00 H new ATOM 0 HH TYR A 55 10.428 -0.329 -8.939 1.00 0.00 H new ATOM 833 N GLY A 56 11.474 5.968 -10.319 1.00 0.00 N ATOM 834 CA GLY A 56 12.781 5.557 -10.798 1.00 0.00 C ATOM 835 C GLY A 56 13.911 6.190 -10.012 1.00 0.00 C ATOM 836 O GLY A 56 14.955 5.571 -9.806 1.00 0.00 O ATOM 0 H GLY A 56 10.803 6.201 -11.051 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.863 4.472 -10.736 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.880 5.825 -11.850 1.00 0.00 H new ATOM 840 N GLN A 57 13.705 7.428 -9.574 1.00 0.00 N ATOM 841 CA GLN A 57 14.717 8.146 -8.809 1.00 0.00 C ATOM 842 C GLN A 57 15.085 7.381 -7.541 1.00 0.00 C ATOM 843 O GLN A 57 16.250 7.343 -7.143 1.00 0.00 O ATOM 844 CB GLN A 57 14.216 9.545 -8.447 1.00 0.00 C ATOM 845 CG GLN A 57 14.280 10.532 -9.601 1.00 0.00 C ATOM 846 CD GLN A 57 15.599 10.473 -10.346 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.667 10.641 -9.756 1.00 0.00 O ATOM 848 NE2 GLN A 57 15.532 10.234 -11.651 1.00 0.00 N ATOM 0 H GLN A 57 12.846 7.954 -9.736 1.00 0.00 H new ATOM 0 HA GLN A 57 15.609 8.236 -9.429 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.186 9.474 -8.098 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.808 9.930 -7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.465 10.327 -10.295 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.127 11.542 -9.220 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.625 10.101 -12.099 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.387 10.184 -12.205 1.00 0.00 H new ATOM 857 N LEU A 58 14.086 6.774 -6.912 1.00 0.00 N ATOM 858 CA LEU A 58 14.304 6.010 -5.688 1.00 0.00 C ATOM 859 C LEU A 58 15.227 4.823 -5.945 1.00 0.00 C ATOM 860 O LEU A 58 15.555 4.515 -7.091 1.00 0.00 O ATOM 861 CB LEU A 58 12.970 5.520 -5.124 1.00 0.00 C ATOM 862 CG LEU A 58 11.916 6.597 -4.862 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.525 5.984 -4.819 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.217 7.332 -3.564 1.00 0.00 C ATOM 0 H LEU A 58 13.117 6.795 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 58 14.780 6.666 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.551 4.791 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.165 4.995 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 58 11.948 7.316 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.789 6.765 -4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.309 5.504 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.479 5.243 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.457 8.095 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.213 6.624 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.197 7.805 -3.632 1.00 0.00 H new ATOM 876 N SER A 59 15.641 4.159 -4.871 1.00 0.00 N ATOM 877 CA SER A 59 16.528 3.006 -4.980 1.00 0.00 C ATOM 878 C SER A 59 16.088 1.891 -4.036 1.00 0.00 C ATOM 879 O SER A 59 15.494 2.131 -2.984 1.00 0.00 O ATOM 880 CB SER A 59 17.969 3.413 -4.669 1.00 0.00 C ATOM 881 OG SER A 59 18.573 4.045 -5.784 1.00 0.00 O ATOM 0 H SER A 59 15.377 4.399 -3.916 1.00 0.00 H new ATOM 0 HA SER A 59 16.476 2.634 -6.003 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.983 4.088 -3.813 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.547 2.532 -4.390 1.00 0.00 H new ATOM 0 HG SER A 59 19.493 4.297 -5.559 1.00 0.00 H new ATOM 887 N PRO A 60 16.385 0.641 -4.419 1.00 0.00 N ATOM 888 CA PRO A 60 16.030 -0.537 -3.622 1.00 0.00 C ATOM 889 C PRO A 60 16.844 -0.633 -2.336 1.00 0.00 C ATOM 890 O PRO A 60 16.312 -0.971 -1.279 1.00 0.00 O ATOM 891 CB PRO A 60 16.360 -1.707 -4.552 1.00 0.00 C ATOM 892 CG PRO A 60 17.406 -1.178 -5.471 1.00 0.00 C ATOM 893 CD PRO A 60 17.091 0.280 -5.660 1.00 0.00 C ATOM 0 HA PRO A 60 14.989 -0.512 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.724 -2.568 -3.991 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.479 -2.035 -5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.401 -1.311 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.392 -1.707 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 60 17.996 0.872 -5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.468 0.446 -6.539 1.00 0.00 H new ATOM 901 N GLN A 61 18.135 -0.333 -2.434 1.00 0.00 N ATOM 902 CA GLN A 61 19.021 -0.386 -1.277 1.00 0.00 C ATOM 903 C GLN A 61 18.462 0.441 -0.124 1.00 0.00 C ATOM 904 O GLN A 61 18.805 0.219 1.036 1.00 0.00 O ATOM 905 CB GLN A 61 20.415 0.118 -1.653 1.00 0.00 C ATOM 906 CG GLN A 61 21.344 -0.977 -2.153 1.00 0.00 C ATOM 907 CD GLN A 61 20.896 -1.562 -3.478 1.00 0.00 C ATOM 908 OE1 GLN A 61 19.963 -2.363 -3.532 1.00 0.00 O ATOM 909 NE2 GLN A 61 21.560 -1.163 -4.556 1.00 0.00 N ATOM 0 H GLN A 61 18.591 -0.051 -3.302 1.00 0.00 H new ATOM 0 HA GLN A 61 19.093 -1.424 -0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.320 0.882 -2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.866 0.597 -0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 61 22.351 -0.573 -2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.397 -1.771 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 61 22.327 -0.497 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.303 -1.522 -5.475 1.00 0.00 H new ATOM 918 N ASN A 62 17.598 1.396 -0.453 1.00 0.00 N ATOM 919 CA ASN A 62 16.992 2.258 0.556 1.00 0.00 C ATOM 920 C ASN A 62 15.863 1.533 1.284 1.00 0.00 C ATOM 921 O ASN A 62 14.765 1.380 0.750 1.00 0.00 O ATOM 922 CB ASN A 62 16.457 3.538 -0.091 1.00 0.00 C ATOM 923 CG ASN A 62 17.492 4.646 -0.122 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.207 4.869 0.855 1.00 0.00 O ATOM 925 ND2 ASN A 62 17.576 5.345 -1.248 1.00 0.00 N ATOM 0 H ASN A 62 17.302 1.592 -1.409 1.00 0.00 H new ATOM 0 HA ASN A 62 17.761 2.520 1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.132 3.319 -1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.579 3.880 0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.254 6.103 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.962 5.124 -2.032 1.00 0.00 H new ATOM 932 N ARG A 63 16.143 1.090 2.505 1.00 0.00 N ATOM 933 CA ARG A 63 15.152 0.381 3.306 1.00 0.00 C ATOM 934 C ARG A 63 14.212 1.362 4.001 1.00 0.00 C ATOM 935 O ARG A 63 13.012 1.112 4.115 1.00 0.00 O ATOM 936 CB ARG A 63 15.844 -0.503 4.345 1.00 0.00 C ATOM 937 CG ARG A 63 16.780 -1.537 3.740 1.00 0.00 C ATOM 938 CD ARG A 63 17.751 -2.082 4.775 1.00 0.00 C ATOM 939 NE ARG A 63 17.062 -2.772 5.863 1.00 0.00 N ATOM 940 CZ ARG A 63 17.648 -3.659 6.659 1.00 0.00 C ATOM 941 NH1 ARG A 63 18.928 -3.962 6.490 1.00 0.00 N ATOM 942 NH2 ARG A 63 16.955 -4.244 7.627 1.00 0.00 N ATOM 0 H ARG A 63 17.047 1.209 2.961 1.00 0.00 H new ATOM 0 HA ARG A 63 14.563 -0.248 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.409 0.130 5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.085 -1.015 4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.196 -2.356 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.337 -1.088 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.446 -2.769 4.293 1.00 0.00 H new ATOM 0 HD3 ARG A 63 18.343 -1.263 5.183 1.00 0.00 H new ATOM 0 HE ARG A 63 16.077 -2.561 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.465 -3.513 5.747 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.376 -4.644 7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.971 -4.013 7.761 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.407 -4.925 8.237 1.00 0.00 H new ATOM 956 N ARG A 64 14.766 2.477 4.464 1.00 0.00 N ATOM 957 CA ARG A 64 13.978 3.494 5.149 1.00 0.00 C ATOM 958 C ARG A 64 13.283 4.411 4.147 1.00 0.00 C ATOM 959 O ARG A 64 12.066 4.352 3.978 1.00 0.00 O ATOM 960 CB ARG A 64 14.869 4.320 6.079 1.00 0.00 C ATOM 961 CG ARG A 64 15.535 3.499 7.172 1.00 0.00 C ATOM 962 CD ARG A 64 16.887 2.968 6.723 1.00 0.00 C ATOM 963 NE ARG A 64 17.595 2.290 7.806 1.00 0.00 N ATOM 964 CZ ARG A 64 18.916 2.151 7.847 1.00 0.00 C ATOM 965 NH1 ARG A 64 19.668 2.642 6.871 1.00 0.00 N ATOM 966 NH2 ARG A 64 19.486 1.521 8.866 1.00 0.00 N ATOM 0 H ARG A 64 15.758 2.699 4.377 1.00 0.00 H new ATOM 0 HA ARG A 64 13.216 2.988 5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.639 4.814 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.270 5.105 6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.662 4.113 8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 64 14.889 2.666 7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.747 2.276 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 64 17.496 3.793 6.352 1.00 0.00 H new ATOM 0 HE ARG A 64 17.045 1.902 8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 64 19.233 3.128 6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.682 2.534 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.910 1.143 9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.500 1.415 8.897 1.00 0.00 H new ATOM 980 N GLN A 65 14.067 5.257 3.485 1.00 0.00 N ATOM 981 CA GLN A 65 13.526 6.186 2.500 1.00 0.00 C ATOM 982 C GLN A 65 12.338 5.573 1.767 1.00 0.00 C ATOM 983 O GLN A 65 11.272 6.180 1.676 1.00 0.00 O ATOM 984 CB GLN A 65 14.609 6.586 1.496 1.00 0.00 C ATOM 985 CG GLN A 65 14.220 7.764 0.618 1.00 0.00 C ATOM 986 CD GLN A 65 15.365 8.249 -0.249 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.469 8.493 0.240 1.00 0.00 O ATOM 988 NE2 GLN A 65 15.109 8.391 -1.544 1.00 0.00 N ATOM 0 H GLN A 65 15.077 5.318 3.613 1.00 0.00 H new ATOM 0 HA GLN A 65 13.183 7.076 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.522 6.834 2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.838 5.730 0.861 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.383 7.477 -0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.874 8.583 1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.180 8.177 -1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.841 8.714 -2.176 1.00 0.00 H new ATOM 997 N ASN A 66 12.530 4.366 1.245 1.00 0.00 N ATOM 998 CA ASN A 66 11.474 3.670 0.519 1.00 0.00 C ATOM 999 C ASN A 66 10.137 3.805 1.241 1.00 0.00 C ATOM 1000 O ASN A 66 9.122 4.146 0.633 1.00 0.00 O ATOM 1001 CB ASN A 66 11.830 2.191 0.352 1.00 0.00 C ATOM 1002 CG ASN A 66 12.619 1.926 -0.915 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.708 2.782 -1.795 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.196 0.734 -1.014 1.00 0.00 N ATOM 0 H ASN A 66 13.407 3.850 1.311 1.00 0.00 H new ATOM 0 HA ASN A 66 11.382 4.128 -0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.410 1.860 1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.915 1.599 0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.739 0.498 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.096 0.055 -0.260 1.00 0.00 H new ATOM 1011 N PHE A 67 10.144 3.536 2.542 1.00 0.00 N ATOM 1012 CA PHE A 67 8.933 3.626 3.349 1.00 0.00 C ATOM 1013 C PHE A 67 8.560 5.083 3.609 1.00 0.00 C ATOM 1014 O PHE A 67 7.493 5.543 3.205 1.00 0.00 O ATOM 1015 CB PHE A 67 9.122 2.891 4.677 1.00 0.00 C ATOM 1016 CG PHE A 67 8.883 1.411 4.583 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.880 0.562 4.132 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.661 0.870 4.947 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.662 -0.800 4.043 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.437 -0.492 4.861 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.439 -1.328 4.410 1.00 0.00 C ATOM 0 H PHE A 67 10.976 3.254 3.061 1.00 0.00 H new ATOM 0 HA PHE A 67 8.122 3.155 2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.136 3.065 5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.443 3.314 5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.839 0.969 3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.874 1.519 5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.447 -1.451 3.687 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.479 -0.901 5.146 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.267 -2.392 4.344 1.00 0.00 H new ATOM 1031 N GLU A 68 9.449 5.802 4.287 1.00 0.00 N ATOM 1032 CA GLU A 68 9.213 7.206 4.603 1.00 0.00 C ATOM 1033 C GLU A 68 8.578 7.931 3.420 1.00 0.00 C ATOM 1034 O GLU A 68 7.492 8.499 3.536 1.00 0.00 O ATOM 1035 CB GLU A 68 10.525 7.892 4.991 1.00 0.00 C ATOM 1036 CG GLU A 68 11.234 7.233 6.161 1.00 0.00 C ATOM 1037 CD GLU A 68 10.782 7.781 7.501 1.00 0.00 C ATOM 1038 OE1 GLU A 68 9.562 7.987 7.676 1.00 0.00 O ATOM 1039 OE2 GLU A 68 11.646 8.004 8.374 1.00 0.00 O ATOM 0 H GLU A 68 10.338 5.436 4.628 1.00 0.00 H new ATOM 0 HA GLU A 68 8.524 7.251 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.192 7.896 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.321 8.933 5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.053 6.159 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.309 7.378 6.058 1.00 0.00 H new ATOM 1046 N VAL A 69 9.263 7.906 2.281 1.00 0.00 N ATOM 1047 CA VAL A 69 8.767 8.559 1.076 1.00 0.00 C ATOM 1048 C VAL A 69 7.357 8.089 0.736 1.00 0.00 C ATOM 1049 O VAL A 69 6.490 8.891 0.392 1.00 0.00 O ATOM 1050 CB VAL A 69 9.689 8.291 -0.128 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.062 8.820 -1.409 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.058 8.913 0.101 1.00 0.00 C ATOM 0 H VAL A 69 10.163 7.440 2.168 1.00 0.00 H new ATOM 0 HA VAL A 69 8.751 9.629 1.281 1.00 0.00 H new ATOM 0 HB VAL A 69 9.817 7.214 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.728 8.622 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.106 8.324 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.902 9.894 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.697 8.714 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.951 9.990 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.509 8.482 0.995 1.00 0.00 H new ATOM 1062 N ALA A 70 7.135 6.782 0.837 1.00 0.00 N ATOM 1063 CA ALA A 70 5.829 6.204 0.543 1.00 0.00 C ATOM 1064 C ALA A 70 4.738 6.856 1.386 1.00 0.00 C ATOM 1065 O ALA A 70 3.651 7.154 0.890 1.00 0.00 O ATOM 1066 CB ALA A 70 5.853 4.701 0.777 1.00 0.00 C ATOM 0 H ALA A 70 7.842 6.104 1.120 1.00 0.00 H new ATOM 0 HA ALA A 70 5.602 6.394 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.872 4.282 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.599 4.243 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.105 4.499 1.818 1.00 0.00 H new ATOM 1072 N PHE A 71 5.035 7.073 2.663 1.00 0.00 N ATOM 1073 CA PHE A 71 4.078 7.688 3.576 1.00 0.00 C ATOM 1074 C PHE A 71 3.964 9.187 3.316 1.00 0.00 C ATOM 1075 O PHE A 71 2.874 9.706 3.075 1.00 0.00 O ATOM 1076 CB PHE A 71 4.494 7.440 5.028 1.00 0.00 C ATOM 1077 CG PHE A 71 4.515 5.987 5.406 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.359 5.225 5.344 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.689 5.383 5.824 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.374 3.887 5.691 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.711 4.046 6.172 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.552 3.297 6.106 1.00 0.00 C ATOM 0 H PHE A 71 5.930 6.832 3.089 1.00 0.00 H new ATOM 0 HA PHE A 71 3.103 7.232 3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.485 7.864 5.191 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.808 7.969 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.435 5.682 5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.598 5.964 5.879 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.466 3.304 5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.634 3.587 6.495 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.567 2.252 6.378 1.00 0.00 H new ATOM 1092 N SER A 72 5.099 9.878 3.368 1.00 0.00 N ATOM 1093 CA SER A 72 5.127 11.319 3.143 1.00 0.00 C ATOM 1094 C SER A 72 4.478 11.673 1.809 1.00 0.00 C ATOM 1095 O SER A 72 3.494 12.411 1.761 1.00 0.00 O ATOM 1096 CB SER A 72 6.568 11.833 3.175 1.00 0.00 C ATOM 1097 OG SER A 72 6.605 13.231 3.401 1.00 0.00 O ATOM 0 H SER A 72 6.010 9.464 3.564 1.00 0.00 H new ATOM 0 HA SER A 72 4.560 11.798 3.941 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.123 11.320 3.960 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.061 11.601 2.231 1.00 0.00 H new ATOM 0 HG SER A 72 7.537 13.535 3.419 1.00 0.00 H new ATOM 1103 N SER A 73 5.037 11.142 0.727 1.00 0.00 N ATOM 1104 CA SER A 73 4.516 11.404 -0.610 1.00 0.00 C ATOM 1105 C SER A 73 2.993 11.488 -0.592 1.00 0.00 C ATOM 1106 O SER A 73 2.410 12.475 -1.040 1.00 0.00 O ATOM 1107 CB SER A 73 4.966 10.310 -1.580 1.00 0.00 C ATOM 1108 OG SER A 73 6.360 10.388 -1.825 1.00 0.00 O ATOM 0 H SER A 73 5.851 10.528 0.749 1.00 0.00 H new ATOM 0 HA SER A 73 4.912 12.362 -0.946 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.720 9.331 -1.169 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.422 10.407 -2.520 1.00 0.00 H new ATOM 0 HG SER A 73 6.849 10.079 -1.034 1.00 0.00 H new ATOM 1114 N ALA A 74 2.355 10.445 -0.071 1.00 0.00 N ATOM 1115 CA ALA A 74 0.900 10.401 0.007 1.00 0.00 C ATOM 1116 C ALA A 74 0.363 11.529 0.882 1.00 0.00 C ATOM 1117 O ALA A 74 -0.371 12.396 0.410 1.00 0.00 O ATOM 1118 CB ALA A 74 0.441 9.052 0.540 1.00 0.00 C ATOM 0 H ALA A 74 2.823 9.619 0.303 1.00 0.00 H new ATOM 0 HA ALA A 74 0.502 10.536 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.648 9.033 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.786 8.261 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.856 8.894 1.536 1.00 0.00 H new ATOM 1124 N GLU A 75 0.733 11.508 2.159 1.00 0.00 N ATOM 1125 CA GLU A 75 0.286 12.529 3.099 1.00 0.00 C ATOM 1126 C GLU A 75 0.274 13.906 2.442 1.00 0.00 C ATOM 1127 O GLU A 75 -0.497 14.785 2.829 1.00 0.00 O ATOM 1128 CB GLU A 75 1.190 12.549 4.333 1.00 0.00 C ATOM 1129 CG GLU A 75 0.833 13.635 5.333 1.00 0.00 C ATOM 1130 CD GLU A 75 1.999 14.014 6.225 1.00 0.00 C ATOM 1131 OE1 GLU A 75 2.807 14.873 5.815 1.00 0.00 O ATOM 1132 OE2 GLU A 75 2.103 13.450 7.335 1.00 0.00 O ATOM 0 H GLU A 75 1.340 10.796 2.565 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.731 12.283 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.136 11.579 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.223 12.687 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.489 14.519 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.003 13.295 5.952 1.00 0.00 H new ATOM 1139 N THR A 76 1.135 14.088 1.446 1.00 0.00 N ATOM 1140 CA THR A 76 1.225 15.357 0.735 1.00 0.00 C ATOM 1141 C THR A 76 -0.159 15.920 0.437 1.00 0.00 C ATOM 1142 O THR A 76 -0.524 16.990 0.925 1.00 0.00 O ATOM 1143 CB THR A 76 2.002 15.207 -0.586 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.312 14.690 -0.329 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.111 16.544 -1.305 1.00 0.00 C ATOM 0 H THR A 76 1.781 13.372 1.113 1.00 0.00 H new ATOM 0 HA THR A 76 1.761 16.047 1.387 1.00 0.00 H new ATOM 0 HB THR A 76 1.457 14.512 -1.225 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.463 13.893 -0.879 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.664 16.413 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.112 16.921 -1.526 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.635 17.257 -0.669 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.928 15.193 -0.368 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.275 15.620 -0.730 1.00 0.00 C ATOM 1155 C HIS A 77 -3.315 14.624 -0.226 1.00 0.00 C ATOM 1156 O HIS A 77 -4.488 14.963 -0.070 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.393 15.774 -2.247 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.488 14.859 -3.014 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.597 15.306 -3.966 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.340 13.514 -2.964 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.059 14.276 -4.470 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.373 13.177 -3.878 1.00 0.00 N ATOM 0 H HIS A 77 -0.641 14.306 -0.782 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.463 16.584 -0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.424 15.584 -2.544 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.168 16.805 -2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.882 12.833 -2.324 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.819 14.324 -5.236 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.042 12.231 -4.069 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.877 13.395 0.027 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.769 12.351 0.515 1.00 0.00 C ATOM 1173 C ALA A 78 -4.029 12.505 2.010 1.00 0.00 C ATOM 1174 O ALA A 78 -5.093 12.136 2.506 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.187 10.977 0.217 1.00 0.00 C ATOM 0 H ALA A 78 -1.909 13.098 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.722 12.450 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.864 10.207 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.060 10.861 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.220 10.877 0.709 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.050 13.051 2.722 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.173 13.254 4.161 1.00 0.00 C ATOM 1183 C ASP A 79 -3.609 11.968 4.856 1.00 0.00 C ATOM 1184 O ASP A 79 -4.559 11.966 5.639 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.173 14.373 4.456 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.848 15.118 5.736 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -3.065 16.089 5.675 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.376 14.729 6.798 1.00 0.00 O ATOM 0 H ASP A 79 -2.162 13.361 2.327 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.195 13.541 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.184 15.076 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.175 13.951 4.529 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.909 10.877 4.563 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.226 9.584 5.158 1.00 0.00 C ATOM 1195 C CYS A 80 -2.640 9.474 6.562 1.00 0.00 C ATOM 1196 O CYS A 80 -1.512 9.891 6.825 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.693 8.451 4.280 1.00 0.00 C ATOM 1198 SG CYS A 80 -2.755 6.821 5.060 1.00 0.00 S ATOM 0 H CYS A 80 -2.119 10.862 3.918 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.310 9.500 5.228 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.268 8.421 3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.661 8.672 4.007 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.595 6.245 4.954 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.423 8.900 7.487 1.00 0.00 N ATOM 1205 CA PRO A 81 -3.003 8.722 8.881 1.00 0.00 C ATOM 1206 C PRO A 81 -1.901 7.679 9.025 1.00 0.00 C ATOM 1207 O PRO A 81 -2.175 6.483 9.126 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.281 8.250 9.579 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.089 7.613 8.501 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.779 8.379 7.244 1.00 0.00 C ATOM 0 HA PRO A 81 -2.585 9.637 9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.058 7.542 10.377 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.815 9.084 10.033 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.831 6.560 8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.153 7.657 8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.811 7.737 6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.495 9.184 7.077 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.654 8.140 9.036 1.00 0.00 N ATOM 1219 CA GLN A 82 0.489 7.245 9.168 1.00 0.00 C ATOM 1220 C GLN A 82 0.279 6.258 10.312 1.00 0.00 C ATOM 1221 O GLN A 82 0.367 6.623 11.485 1.00 0.00 O ATOM 1222 CB GLN A 82 1.769 8.049 9.402 1.00 0.00 C ATOM 1223 CG GLN A 82 2.211 8.855 8.192 1.00 0.00 C ATOM 1224 CD GLN A 82 3.193 9.954 8.548 1.00 0.00 C ATOM 1225 OE1 GLN A 82 3.761 9.964 9.641 1.00 0.00 O ATOM 1226 NE2 GLN A 82 3.399 10.886 7.626 1.00 0.00 N ATOM 0 H GLN A 82 -0.410 9.127 8.955 1.00 0.00 H new ATOM 0 HA GLN A 82 0.586 6.682 8.240 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.614 8.726 10.242 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.570 7.366 9.686 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.669 8.187 7.463 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.336 9.296 7.715 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.907 10.838 6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.050 11.650 7.809 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.001 5.007 9.963 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.224 3.966 10.961 1.00 0.00 C ATOM 1237 C LEU A 83 1.077 3.245 11.296 1.00 0.00 C ATOM 1238 O LEU A 83 1.559 3.306 12.428 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.262 2.962 10.455 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.589 3.551 9.978 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.466 2.468 9.368 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.311 4.239 11.127 1.00 0.00 C ATOM 0 H LEU A 83 -0.079 4.689 8.997 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.598 4.440 11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.822 2.398 9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.470 2.251 11.254 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.378 4.295 9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.406 2.906 9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.952 2.020 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.669 1.700 10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.254 4.652 10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.509 3.515 11.918 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.688 5.043 11.519 1.00 0.00 H new ATOM 1254 N LEU A 84 1.642 2.563 10.306 1.00 0.00 N ATOM 1255 CA LEU A 84 2.890 1.831 10.495 1.00 0.00 C ATOM 1256 C LEU A 84 3.993 2.757 10.997 1.00 0.00 C ATOM 1257 O LEU A 84 3.968 3.962 10.746 1.00 0.00 O ATOM 1258 CB LEU A 84 3.320 1.170 9.185 1.00 0.00 C ATOM 1259 CG LEU A 84 2.270 0.297 8.497 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.469 0.309 6.990 1.00 0.00 C ATOM 1261 CD2 LEU A 84 2.327 -1.127 9.033 1.00 0.00 C ATOM 0 H LEU A 84 1.256 2.501 9.364 1.00 0.00 H new ATOM 0 HA LEU A 84 2.720 1.059 11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.625 1.952 8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.200 0.558 9.382 1.00 0.00 H new ATOM 0 HG LEU A 84 1.284 0.708 8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.712 -0.318 6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.377 1.330 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.460 -0.076 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.573 -1.735 8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.315 -1.547 8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.134 -1.120 10.106 1.00 0.00 H new ATOM 1273 N ASP A 85 4.961 2.186 11.706 1.00 0.00 N ATOM 1274 CA ASP A 85 6.075 2.959 12.241 1.00 0.00 C ATOM 1275 C ASP A 85 7.388 2.549 11.579 1.00 0.00 C ATOM 1276 O ASP A 85 8.061 1.623 12.032 1.00 0.00 O ATOM 1277 CB ASP A 85 6.173 2.772 13.756 1.00 0.00 C ATOM 1278 CG ASP A 85 6.808 3.964 14.446 1.00 0.00 C ATOM 1279 OD1 ASP A 85 6.070 4.908 14.796 1.00 0.00 O ATOM 1280 OD2 ASP A 85 8.042 3.952 14.635 1.00 0.00 O ATOM 0 H ASP A 85 4.996 1.190 11.923 1.00 0.00 H new ATOM 0 HA ASP A 85 5.892 4.011 12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.176 2.608 14.164 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.757 1.877 13.972 1.00 0.00 H new ATOM 1285 N THR A 86 7.745 3.244 10.504 1.00 0.00 N ATOM 1286 CA THR A 86 8.975 2.951 9.779 1.00 0.00 C ATOM 1287 C THR A 86 10.089 2.535 10.732 1.00 0.00 C ATOM 1288 O THR A 86 10.721 1.496 10.545 1.00 0.00 O ATOM 1289 CB THR A 86 9.445 4.166 8.957 1.00 0.00 C ATOM 1290 OG1 THR A 86 8.342 4.727 8.237 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.544 3.768 7.983 1.00 0.00 C ATOM 0 H THR A 86 7.200 4.014 10.116 1.00 0.00 H new ATOM 0 HA THR A 86 8.754 2.126 9.101 1.00 0.00 H new ATOM 0 HB THR A 86 9.844 4.910 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.649 5.500 7.718 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.860 4.642 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.394 3.369 8.537 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.167 3.007 7.300 1.00 0.00 H new ATOM 1299 N GLU A 87 10.324 3.352 11.754 1.00 0.00 N ATOM 1300 CA GLU A 87 11.363 3.067 12.736 1.00 0.00 C ATOM 1301 C GLU A 87 11.300 1.610 13.188 1.00 0.00 C ATOM 1302 O GLU A 87 12.315 0.914 13.219 1.00 0.00 O ATOM 1303 CB GLU A 87 11.222 3.994 13.945 1.00 0.00 C ATOM 1304 CG GLU A 87 11.893 5.344 13.758 1.00 0.00 C ATOM 1305 CD GLU A 87 12.201 6.030 15.075 1.00 0.00 C ATOM 1306 OE1 GLU A 87 12.292 5.327 16.104 1.00 0.00 O ATOM 1307 OE2 GLU A 87 12.351 7.269 15.077 1.00 0.00 O ATOM 0 H GLU A 87 9.809 4.216 11.923 1.00 0.00 H new ATOM 0 HA GLU A 87 12.330 3.242 12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.163 4.149 14.151 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.649 3.504 14.820 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.818 5.211 13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.247 5.987 13.160 1.00 0.00 H new ATOM 1314 N ASP A 88 10.101 1.157 13.537 1.00 0.00 N ATOM 1315 CA ASP A 88 9.904 -0.216 13.987 1.00 0.00 C ATOM 1316 C ASP A 88 9.895 -1.179 12.804 1.00 0.00 C ATOM 1317 O ASP A 88 10.299 -2.335 12.930 1.00 0.00 O ATOM 1318 CB ASP A 88 8.594 -0.336 14.768 1.00 0.00 C ATOM 1319 CG ASP A 88 8.621 0.444 16.067 1.00 0.00 C ATOM 1320 OD1 ASP A 88 8.492 1.685 16.017 1.00 0.00 O ATOM 1321 OD2 ASP A 88 8.772 -0.186 17.135 1.00 0.00 O ATOM 0 H ASP A 88 9.251 1.720 13.517 1.00 0.00 H new ATOM 0 HA ASP A 88 10.734 -0.481 14.642 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.771 0.023 14.149 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.397 -1.386 14.982 1.00 0.00 H new ATOM 1326 N MET A 89 9.432 -0.695 11.656 1.00 0.00 N ATOM 1327 CA MET A 89 9.372 -1.514 10.451 1.00 0.00 C ATOM 1328 C MET A 89 10.765 -1.980 10.040 1.00 0.00 C ATOM 1329 O MET A 89 10.975 -3.157 9.747 1.00 0.00 O ATOM 1330 CB MET A 89 8.725 -0.729 9.308 1.00 0.00 C ATOM 1331 CG MET A 89 7.313 -0.258 9.616 1.00 0.00 C ATOM 1332 SD MET A 89 6.069 -1.511 9.251 1.00 0.00 S ATOM 1333 CE MET A 89 6.304 -1.718 7.487 1.00 0.00 C ATOM 0 H MET A 89 9.093 0.259 11.535 1.00 0.00 H new ATOM 0 HA MET A 89 8.765 -2.393 10.668 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.345 0.137 9.076 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.704 -1.354 8.415 1.00 0.00 H new ATOM 0 HG2 MET A 89 7.247 0.018 10.668 1.00 0.00 H new ATOM 0 HG3 MET A 89 7.099 0.640 9.037 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.382 -2.086 7.038 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.568 -0.759 7.040 1.00 0.00 H new ATOM 0 HE3 MET A 89 7.106 -2.435 7.308 1.00 0.00 H new ATOM 1343 N VAL A 90 11.713 -1.049 10.019 1.00 0.00 N ATOM 1344 CA VAL A 90 13.086 -1.365 9.644 1.00 0.00 C ATOM 1345 C VAL A 90 13.623 -2.535 10.460 1.00 0.00 C ATOM 1346 O VAL A 90 13.938 -3.593 9.915 1.00 0.00 O ATOM 1347 CB VAL A 90 14.014 -0.150 9.837 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.470 -0.591 9.875 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.788 0.873 8.734 1.00 0.00 C ATOM 0 H VAL A 90 11.556 -0.070 10.257 1.00 0.00 H new ATOM 0 HA VAL A 90 13.071 -1.638 8.589 1.00 0.00 H new ATOM 0 HB VAL A 90 13.776 0.319 10.792 1.00 0.00 H new ATOM 0 HG11 VAL A 90 16.111 0.280 10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.619 -1.284 10.703 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.725 -1.085 8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.451 1.724 8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.998 0.417 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.752 1.211 8.758 1.00 0.00 H new ATOM 1359 N ARG A 91 13.725 -2.338 11.771 1.00 0.00 N ATOM 1360 CA ARG A 91 14.225 -3.377 12.663 1.00 0.00 C ATOM 1361 C ARG A 91 13.407 -4.657 12.519 1.00 0.00 C ATOM 1362 O ARG A 91 13.959 -5.755 12.444 1.00 0.00 O ATOM 1363 CB ARG A 91 14.187 -2.895 14.114 1.00 0.00 C ATOM 1364 CG ARG A 91 12.870 -2.245 14.505 1.00 0.00 C ATOM 1365 CD ARG A 91 12.868 -1.826 15.967 1.00 0.00 C ATOM 1366 NE ARG A 91 13.737 -0.678 16.208 1.00 0.00 N ATOM 1367 CZ ARG A 91 15.041 -0.779 16.440 1.00 0.00 C ATOM 1368 NH1 ARG A 91 15.624 -1.970 16.460 1.00 0.00 N ATOM 1369 NH2 ARG A 91 15.765 0.313 16.650 1.00 0.00 N ATOM 0 H ARG A 91 13.468 -1.469 12.238 1.00 0.00 H new ATOM 0 HA ARG A 91 15.257 -3.593 12.386 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.375 -3.742 14.774 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.996 -2.182 14.272 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.692 -1.373 13.875 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.051 -2.941 14.324 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.851 -1.581 16.273 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.194 -2.663 16.585 1.00 0.00 H new ATOM 0 HE ARG A 91 13.320 0.253 16.198 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.071 -2.811 16.297 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.626 -2.045 16.638 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.320 1.231 16.633 1.00 0.00 H new ATOM 0 HH22 ARG A 91 16.766 0.235 16.828 1.00 0.00 H new ATOM 1383 N LEU A 92 12.087 -4.508 12.481 1.00 0.00 N ATOM 1384 CA LEU A 92 11.192 -5.652 12.346 1.00 0.00 C ATOM 1385 C LEU A 92 11.430 -6.378 11.026 1.00 0.00 C ATOM 1386 O LEU A 92 11.195 -5.826 9.951 1.00 0.00 O ATOM 1387 CB LEU A 92 9.734 -5.197 12.435 1.00 0.00 C ATOM 1388 CG LEU A 92 9.229 -4.831 13.831 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.903 -4.091 13.742 1.00 0.00 C ATOM 1390 CD2 LEU A 92 9.089 -6.078 14.691 1.00 0.00 C ATOM 0 H LEU A 92 11.613 -3.607 12.542 1.00 0.00 H new ATOM 0 HA LEU A 92 11.401 -6.343 13.162 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.604 -4.332 11.785 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.102 -5.991 12.038 1.00 0.00 H new ATOM 0 HG LEU A 92 9.959 -4.171 14.299 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.559 -3.839 14.745 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.035 -3.177 13.163 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.164 -4.726 13.254 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.729 -5.799 15.681 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.379 -6.763 14.226 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.059 -6.567 14.783 1.00 0.00 H new ATOM 1402 N ARG A 93 11.896 -7.619 11.115 1.00 0.00 N ATOM 1403 CA ARG A 93 12.165 -8.421 9.928 1.00 0.00 C ATOM 1404 C ARG A 93 11.079 -8.217 8.876 1.00 0.00 C ATOM 1405 O ARG A 93 11.362 -8.168 7.680 1.00 0.00 O ATOM 1406 CB ARG A 93 12.260 -9.903 10.298 1.00 0.00 C ATOM 1407 CG ARG A 93 12.631 -10.800 9.128 1.00 0.00 C ATOM 1408 CD ARG A 93 13.359 -12.051 9.595 1.00 0.00 C ATOM 1409 NE ARG A 93 13.355 -13.098 8.578 1.00 0.00 N ATOM 1410 CZ ARG A 93 14.006 -14.249 8.705 1.00 0.00 C ATOM 1411 NH1 ARG A 93 14.709 -14.499 9.801 1.00 0.00 N ATOM 1412 NH2 ARG A 93 13.954 -15.153 7.735 1.00 0.00 N ATOM 0 H ARG A 93 12.095 -8.091 11.997 1.00 0.00 H new ATOM 0 HA ARG A 93 13.118 -8.096 9.509 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.001 -10.025 11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.303 -10.229 10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.729 -11.084 8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.262 -10.249 8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.388 -11.798 9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.888 -12.426 10.504 1.00 0.00 H new ATOM 0 HE ARG A 93 12.823 -12.937 7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.751 -13.807 10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.208 -15.384 9.896 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.414 -14.964 6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.454 -16.036 7.834 1.00 0.00 H new ATOM 1426 N GLU A 94 9.836 -8.100 9.332 1.00 0.00 N ATOM 1427 CA GLU A 94 8.707 -7.903 8.430 1.00 0.00 C ATOM 1428 C GLU A 94 7.498 -7.357 9.182 1.00 0.00 C ATOM 1429 O GLU A 94 7.260 -7.682 10.346 1.00 0.00 O ATOM 1430 CB GLU A 94 8.341 -9.219 7.740 1.00 0.00 C ATOM 1431 CG GLU A 94 7.823 -10.282 8.693 1.00 0.00 C ATOM 1432 CD GLU A 94 8.064 -11.690 8.184 1.00 0.00 C ATOM 1433 OE1 GLU A 94 9.177 -12.215 8.395 1.00 0.00 O ATOM 1434 OE2 GLU A 94 7.139 -12.266 7.575 1.00 0.00 O ATOM 0 H GLU A 94 9.585 -8.138 10.320 1.00 0.00 H new ATOM 0 HA GLU A 94 9.002 -7.175 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.583 -9.023 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.219 -9.604 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.307 -10.162 9.662 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.754 -10.134 8.850 1.00 0.00 H new ATOM 1441 N PRO A 95 6.714 -6.505 8.504 1.00 0.00 N ATOM 1442 CA PRO A 95 5.516 -5.895 9.088 1.00 0.00 C ATOM 1443 C PRO A 95 4.396 -6.908 9.304 1.00 0.00 C ATOM 1444 O PRO A 95 4.295 -7.899 8.580 1.00 0.00 O ATOM 1445 CB PRO A 95 5.103 -4.855 8.045 1.00 0.00 C ATOM 1446 CG PRO A 95 5.659 -5.365 6.760 1.00 0.00 C ATOM 1447 CD PRO A 95 6.937 -6.073 7.114 1.00 0.00 C ATOM 0 HA PRO A 95 5.712 -5.474 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.019 -4.754 7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.504 -3.871 8.287 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.958 -6.044 6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.846 -4.547 6.064 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.123 -6.921 6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.799 -5.411 7.032 1.00 0.00 H new ATOM 1455 N ASP A 96 3.557 -6.652 10.301 1.00 0.00 N ATOM 1456 CA ASP A 96 2.443 -7.541 10.611 1.00 0.00 C ATOM 1457 C ASP A 96 1.246 -7.244 9.713 1.00 0.00 C ATOM 1458 O ASP A 96 0.703 -6.140 9.731 1.00 0.00 O ATOM 1459 CB ASP A 96 2.042 -7.399 12.080 1.00 0.00 C ATOM 1460 CG ASP A 96 2.858 -8.294 12.992 1.00 0.00 C ATOM 1461 OD1 ASP A 96 3.989 -7.904 13.349 1.00 0.00 O ATOM 1462 OD2 ASP A 96 2.365 -9.386 13.347 1.00 0.00 O ATOM 0 H ASP A 96 3.627 -5.836 10.909 1.00 0.00 H new ATOM 0 HA ASP A 96 2.766 -8.566 10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.166 -6.361 12.389 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.985 -7.640 12.190 1.00 0.00 H new ATOM 1467 N TRP A 97 0.841 -8.237 8.929 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.291 -8.082 8.023 1.00 0.00 C ATOM 1469 C TRP A 97 -1.419 -7.303 8.691 1.00 0.00 C ATOM 1470 O TRP A 97 -1.992 -6.388 8.097 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.799 -9.451 7.570 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.084 -10.386 8.707 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.211 -11.263 9.284 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.326 -10.537 9.401 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.836 -11.950 10.296 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.134 -11.523 10.389 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.582 -9.934 9.287 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -3.152 -11.918 11.254 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.590 -10.327 10.146 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.371 -11.311 11.119 1.00 0.00 C ATOM 0 H TRP A 97 1.280 -9.158 8.903 1.00 0.00 H new ATOM 0 HA TRP A 97 0.047 -7.521 7.151 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.708 -9.317 6.983 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.058 -9.906 6.912 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.819 -11.397 8.988 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -0.403 -12.663 10.883 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.761 -9.174 8.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.985 -12.676 12.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.564 -9.868 10.066 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.180 -11.596 11.775 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.735 -7.670 9.928 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.794 -7.005 10.677 1.00 0.00 C ATOM 1493 C LYS A 98 -2.734 -5.494 10.480 1.00 0.00 C ATOM 1494 O LYS A 98 -3.764 -4.837 10.325 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.682 -7.340 12.166 1.00 0.00 C ATOM 1496 CG LYS A 98 -3.023 -8.784 12.492 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.616 -9.147 13.910 1.00 0.00 C ATOM 1498 CE LYS A 98 -3.353 -10.383 14.403 1.00 0.00 C ATOM 1499 NZ LYS A 98 -3.075 -10.659 15.839 1.00 0.00 N ATOM 0 H LYS A 98 -1.272 -8.425 10.433 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.751 -7.365 10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.666 -7.131 12.501 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.345 -6.683 12.729 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.094 -8.943 12.368 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.519 -9.446 11.787 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.541 -9.324 13.947 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.824 -8.309 14.575 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.425 -10.247 14.260 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.058 -11.245 13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.596 -11.509 16.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.055 -10.814 15.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.380 -9.848 16.414 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.522 -4.949 10.485 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.328 -3.515 10.306 1.00 0.00 C ATOM 1515 C CYS A 99 -1.310 -3.149 8.825 1.00 0.00 C ATOM 1516 O CYS A 99 -2.175 -2.417 8.344 1.00 0.00 O ATOM 1517 CB CYS A 99 -0.025 -3.069 10.969 1.00 0.00 C ATOM 1518 SG CYS A 99 -0.054 -3.141 12.776 1.00 0.00 S ATOM 0 H CYS A 99 -0.660 -5.479 10.611 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.163 -2.999 10.779 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.789 -3.696 10.604 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.196 -2.047 10.660 1.00 0.00 H new ATOM 0 HG CYS A 99 1.093 -2.747 13.244 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.317 -3.664 8.106 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.186 -3.392 6.680 1.00 0.00 C ATOM 1526 C VAL A 100 -1.549 -3.351 5.999 1.00 0.00 C ATOM 1527 O VAL A 100 -1.939 -2.333 5.427 1.00 0.00 O ATOM 1528 CB VAL A 100 0.691 -4.451 5.985 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.746 -4.198 4.486 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.089 -4.460 6.584 1.00 0.00 C ATOM 0 H VAL A 100 0.408 -4.272 8.488 1.00 0.00 H new ATOM 0 HA VAL A 100 0.292 -2.417 6.587 1.00 0.00 H new ATOM 0 HB VAL A 100 0.244 -5.432 6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.370 -4.956 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.261 -4.246 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.169 -3.211 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.695 -5.214 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.547 -3.480 6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.028 -4.693 7.647 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.271 -4.464 6.067 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.592 -4.557 5.456 1.00 0.00 C ATOM 1542 C TYR A 101 -4.440 -3.338 5.805 1.00 0.00 C ATOM 1543 O TYR A 101 -5.171 -2.813 4.964 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.300 -5.833 5.914 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.808 -5.734 5.881 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.503 -5.075 6.887 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.538 -6.298 4.842 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -7.882 -4.983 6.861 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.917 -6.209 4.806 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.584 -5.551 5.819 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.956 -5.460 5.788 1.00 0.00 O ATOM 0 H TYR A 101 -1.964 -5.314 6.539 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.463 -4.590 4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.985 -6.661 5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.982 -6.070 6.929 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.957 -4.627 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.019 -6.815 4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.407 -4.469 7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.469 -6.652 3.990 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.296 -5.911 4.987 1.00 0.00 H new ATOM 1561 N THR A 102 -4.338 -2.891 7.053 1.00 0.00 N ATOM 1562 CA THR A 102 -5.095 -1.735 7.516 1.00 0.00 C ATOM 1563 C THR A 102 -4.731 -0.486 6.721 1.00 0.00 C ATOM 1564 O THR A 102 -5.608 0.258 6.280 1.00 0.00 O ATOM 1565 CB THR A 102 -4.851 -1.466 9.013 1.00 0.00 C ATOM 1566 OG1 THR A 102 -5.123 -2.648 9.773 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.728 -0.326 9.507 1.00 0.00 C ATOM 0 H THR A 102 -3.738 -3.313 7.762 1.00 0.00 H new ATOM 0 HA THR A 102 -6.149 -1.966 7.363 1.00 0.00 H new ATOM 0 HB THR A 102 -3.807 -1.183 9.144 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.343 -3.241 9.747 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.539 -0.154 10.567 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.498 0.580 8.946 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.777 -0.585 9.363 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.434 -0.261 6.542 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.955 0.899 5.801 1.00 0.00 C ATOM 1577 C TYR A 103 -3.559 0.939 4.400 1.00 0.00 C ATOM 1578 O TYR A 103 -3.986 1.993 3.927 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.428 0.877 5.709 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.839 2.135 5.111 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.681 3.284 5.877 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.439 2.174 3.781 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.144 4.435 5.334 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.100 3.321 3.231 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.245 4.449 4.011 1.00 0.00 C ATOM 1586 OH TYR A 103 0.782 5.593 3.467 1.00 0.00 O ATOM 0 H TYR A 103 -2.696 -0.867 6.900 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.268 1.795 6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -1.014 0.731 6.707 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.121 0.021 5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.983 3.277 6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.551 1.293 3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.029 5.320 5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.406 3.334 2.195 1.00 0.00 H new ATOM 0 HH TYR A 103 1.004 5.435 2.526 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.592 -0.215 3.744 1.00 0.00 N ATOM 1597 CA ILE A 104 -4.144 -0.314 2.399 1.00 0.00 C ATOM 1598 C ILE A 104 -5.611 0.103 2.376 1.00 0.00 C ATOM 1599 O ILE A 104 -6.014 0.945 1.574 1.00 0.00 O ATOM 1600 CB ILE A 104 -4.020 -1.744 1.842 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.566 -2.217 1.913 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.532 -1.802 0.411 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.637 -1.455 0.994 1.00 0.00 C ATOM 0 H ILE A 104 -3.243 -1.096 4.122 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.565 0.363 1.770 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.630 -2.410 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.210 -2.119 2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.524 -3.277 1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.437 -2.820 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.580 -1.502 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.946 -1.127 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.624 -1.844 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.968 -1.574 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.649 -0.398 1.260 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.404 -0.492 3.262 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.826 -0.182 3.343 1.00 0.00 C ATOM 1617 C GLN A 105 -8.044 1.278 3.726 1.00 0.00 C ATOM 1618 O GLN A 105 -8.924 1.946 3.184 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.511 -1.096 4.361 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.991 -0.800 4.544 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.857 -1.495 3.511 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.516 -1.542 2.329 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.985 -2.039 3.953 1.00 0.00 N ATOM 0 H GLN A 105 -6.086 -1.191 3.933 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.266 -0.350 2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.393 -2.132 4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.007 -0.997 5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.300 -1.113 5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.153 0.276 4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.228 -1.976 4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.608 -2.520 3.304 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.236 1.767 4.662 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.342 3.148 5.117 1.00 0.00 C ATOM 1634 C GLU A 106 -6.975 4.119 3.998 1.00 0.00 C ATOM 1635 O GLU A 106 -7.637 5.139 3.805 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.434 3.381 6.326 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.423 4.821 6.810 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.785 5.287 7.288 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.748 5.218 6.497 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -7.887 5.720 8.455 1.00 0.00 O ATOM 0 H GLU A 106 -6.501 1.227 5.120 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.377 3.329 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.757 2.735 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.417 3.085 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.703 4.922 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.084 5.469 6.002 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.917 3.794 3.263 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.460 4.637 2.165 1.00 0.00 C ATOM 1649 C PHE A 107 -6.440 4.585 0.996 1.00 0.00 C ATOM 1650 O PHE A 107 -6.964 5.613 0.565 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.071 4.197 1.699 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.424 5.162 0.748 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.164 6.467 1.134 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -3.076 4.765 -0.533 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.568 7.358 0.261 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.480 5.651 -1.411 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.226 6.949 -1.014 1.00 0.00 C ATOM 0 H PHE A 107 -5.360 2.952 3.408 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.406 5.664 2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.428 4.071 2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.150 3.222 1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.430 6.792 2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.273 3.751 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.370 8.372 0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.213 5.328 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.761 7.643 -1.698 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.682 3.382 0.488 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.597 3.196 -0.632 1.00 0.00 C ATOM 1669 C TYR A 108 -8.824 4.091 -0.489 1.00 0.00 C ATOM 1670 O TYR A 108 -9.381 4.562 -1.480 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.028 1.732 -0.727 1.00 0.00 C ATOM 1672 CG TYR A 108 -9.138 1.491 -1.726 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.464 1.738 -1.395 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.859 1.017 -3.003 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -11.480 1.518 -2.304 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -9.869 0.796 -3.919 1.00 0.00 C ATOM 1677 CZ TYR A 108 -11.178 1.048 -3.565 1.00 0.00 C ATOM 1678 OH TYR A 108 -12.188 0.830 -4.474 1.00 0.00 O ATOM 0 H TYR A 108 -6.258 2.521 0.834 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.073 3.474 -1.546 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.165 1.125 -1.002 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.356 1.394 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.705 2.109 -0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.835 0.818 -3.283 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.506 1.713 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.635 0.428 -4.907 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.806 0.500 -5.314 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.238 4.322 0.752 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.399 5.160 1.027 1.00 0.00 C ATOM 1690 C ARG A 109 -10.174 6.582 0.523 1.00 0.00 C ATOM 1691 O ARG A 109 -11.059 7.182 -0.089 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.696 5.180 2.528 1.00 0.00 C ATOM 1693 CG ARG A 109 -11.807 6.142 2.916 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.405 5.787 4.268 1.00 0.00 C ATOM 1695 NE ARG A 109 -11.672 6.405 5.370 1.00 0.00 N ATOM 1696 CZ ARG A 109 -12.206 6.648 6.562 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -13.469 6.327 6.805 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -11.475 7.213 7.514 1.00 0.00 N ATOM 0 H ARG A 109 -8.787 3.941 1.583 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.254 4.737 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.969 4.175 2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.788 5.451 3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.415 7.159 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.588 6.124 2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.446 6.109 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.402 4.704 4.393 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.698 6.664 5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -14.034 5.892 6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -13.876 6.515 7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -10.503 7.461 7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.885 7.399 8.429 1.00 0.00 H new ATOM 1712 N CYS A 110 -8.986 7.116 0.786 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.646 8.469 0.360 1.00 0.00 C ATOM 1714 C CYS A 110 -8.676 8.585 -1.161 1.00 0.00 C ATOM 1715 O CYS A 110 -9.143 9.584 -1.709 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.263 8.859 0.886 1.00 0.00 C ATOM 1717 SG CYS A 110 -5.891 8.224 -0.106 1.00 0.00 S ATOM 0 H CYS A 110 -8.243 6.633 1.292 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.390 9.151 0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.195 9.946 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.158 8.494 1.908 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.893 6.925 -0.068 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.173 7.558 -1.837 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.140 7.544 -3.295 1.00 0.00 C ATOM 1725 C LEU A 111 -9.547 7.664 -3.872 1.00 0.00 C ATOM 1726 O LEU A 111 -9.840 8.584 -4.635 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.478 6.260 -3.798 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.180 5.855 -3.099 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.707 4.498 -3.594 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.105 6.910 -3.319 1.00 0.00 C ATOM 0 H LEU A 111 -7.782 6.724 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.555 8.401 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.192 5.443 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.274 6.374 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.374 5.780 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.782 4.227 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.470 3.748 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.530 4.544 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.188 6.606 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.914 7.017 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.443 7.864 -2.913 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.415 6.728 -3.501 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.793 6.731 -3.979 1.00 0.00 C ATOM 1744 C VAL A 112 -12.386 8.135 -3.937 1.00 0.00 C ATOM 1745 O VAL A 112 -12.986 8.594 -4.909 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.678 5.786 -3.145 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.124 5.859 -3.611 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.155 4.360 -3.222 1.00 0.00 C ATOM 0 H VAL A 112 -10.189 5.958 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.771 6.380 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.641 6.106 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.734 5.185 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.492 6.879 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.184 5.566 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.792 3.706 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.160 4.026 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.137 4.325 -2.835 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.214 8.811 -2.806 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.734 10.163 -2.638 1.00 0.00 C ATOM 1760 C GLN A 113 -11.916 11.164 -3.446 1.00 0.00 C ATOM 1761 O GLN A 113 -12.459 12.112 -4.014 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.725 10.555 -1.159 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.567 9.641 -0.283 1.00 0.00 C ATOM 1764 CD GLN A 113 -15.048 9.953 -0.367 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -15.565 10.279 -1.436 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -15.739 9.855 0.762 1.00 0.00 N ATOM 0 H GLN A 113 -11.719 8.445 -1.993 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.760 10.179 -3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.697 10.547 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -13.090 11.577 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.400 8.605 -0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.239 9.733 0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -15.269 9.581 1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -16.740 10.053 0.766 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.605 10.949 -3.493 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.711 11.832 -4.233 1.00 0.00 C ATOM 1777 C LYS A 114 -10.112 11.906 -5.703 1.00 0.00 C ATOM 1778 O LYS A 114 -10.013 12.959 -6.331 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.265 11.345 -4.112 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.548 11.868 -2.879 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.264 13.356 -2.989 1.00 0.00 C ATOM 1782 CE LYS A 114 -5.999 13.625 -3.789 1.00 0.00 C ATOM 1783 NZ LYS A 114 -5.718 15.082 -3.910 1.00 0.00 N ATOM 0 H LYS A 114 -10.138 10.171 -3.027 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.789 12.830 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.258 10.255 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.712 11.650 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.156 11.677 -1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.611 11.327 -2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.109 13.854 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.162 13.783 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.154 13.131 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.099 13.191 -4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.848 15.223 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.513 15.550 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.597 15.492 -2.962 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.567 10.780 -6.245 1.00 0.00 N ATOM 1798 CA GLY A 115 -10.978 10.740 -7.636 1.00 0.00 C ATOM 1799 C GLY A 115 -10.002 9.974 -8.507 1.00 0.00 C ATOM 1800 O GLY A 115 -9.831 10.288 -9.686 1.00 0.00 O ATOM 0 H GLY A 115 -10.658 9.895 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -11.963 10.279 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.074 11.758 -8.013 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.358 8.967 -7.926 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.392 8.154 -8.657 1.00 0.00 C ATOM 1806 C LEU A 116 -9.020 6.841 -9.114 1.00 0.00 C ATOM 1807 O LEU A 116 -8.823 6.408 -10.249 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.170 7.870 -7.782 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.216 9.045 -7.561 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.431 8.859 -6.272 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.272 9.195 -8.745 1.00 0.00 C ATOM 0 H LEU A 116 -9.487 8.694 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.078 8.712 -9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.517 7.522 -6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.608 7.051 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.807 9.957 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.757 9.704 -6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.122 8.801 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.851 7.938 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.600 10.036 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.688 8.282 -8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.851 9.375 -9.651 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.780 6.212 -8.222 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.440 4.951 -8.535 1.00 0.00 C ATOM 1825 C VAL A 117 -11.946 5.139 -8.679 1.00 0.00 C ATOM 1826 O VAL A 117 -12.636 5.474 -7.716 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.168 3.891 -7.450 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.909 2.601 -7.766 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.674 3.638 -7.316 1.00 0.00 C ATOM 0 H VAL A 117 -9.953 6.556 -7.277 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.028 4.605 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.537 4.269 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.705 1.864 -6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.980 2.798 -7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.574 2.215 -8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.500 2.887 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.279 3.281 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.171 4.565 -7.039 1.00 0.00 H new ATOM 1839 N LYS A 118 -12.451 4.922 -9.889 1.00 0.00 N ATOM 1840 CA LYS A 118 -13.876 5.066 -10.161 1.00 0.00 C ATOM 1841 C LYS A 118 -14.708 4.382 -9.080 1.00 0.00 C ATOM 1842 O LYS A 118 -14.245 3.449 -8.423 1.00 0.00 O ATOM 1843 CB LYS A 118 -14.217 4.476 -11.531 1.00 0.00 C ATOM 1844 CG LYS A 118 -13.768 5.343 -12.695 1.00 0.00 C ATOM 1845 CD LYS A 118 -13.462 4.508 -13.927 1.00 0.00 C ATOM 1846 CE LYS A 118 -14.723 4.201 -14.720 1.00 0.00 C ATOM 1847 NZ LYS A 118 -14.559 2.994 -15.577 1.00 0.00 N ATOM 0 H LYS A 118 -11.894 4.646 -10.697 1.00 0.00 H new ATOM 0 HA LYS A 118 -14.115 6.130 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -13.753 3.494 -11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -15.295 4.326 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -14.546 6.069 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -12.881 5.908 -12.408 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -12.753 5.040 -14.561 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.984 3.576 -13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -15.556 4.049 -14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -14.977 5.058 -15.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -15.440 2.818 -16.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.781 3.149 -16.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -14.342 2.171 -14.980 1.00 0.00 H new ATOM 1861 N THR A 119 -15.939 4.851 -8.902 1.00 0.00 N ATOM 1862 CA THR A 119 -16.835 4.284 -7.902 1.00 0.00 C ATOM 1863 C THR A 119 -16.943 2.771 -8.054 1.00 0.00 C ATOM 1864 O THR A 119 -17.170 2.262 -9.151 1.00 0.00 O ATOM 1865 CB THR A 119 -18.244 4.900 -7.998 1.00 0.00 C ATOM 1866 OG1 THR A 119 -18.153 6.328 -8.042 1.00 0.00 O ATOM 1867 CG2 THR A 119 -19.100 4.478 -6.813 1.00 0.00 C ATOM 0 H THR A 119 -16.338 5.622 -9.437 1.00 0.00 H new ATOM 0 HA THR A 119 -16.409 4.518 -6.927 1.00 0.00 H new ATOM 0 HB THR A 119 -18.713 4.538 -8.913 1.00 0.00 H new ATOM 0 HG1 THR A 119 -19.053 6.711 -8.105 1.00 0.00 H new ATOM 0 HG21 THR A 119 -20.090 4.925 -6.902 1.00 0.00 H new ATOM 0 HG22 THR A 119 -19.192 3.392 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 119 -18.632 4.815 -5.888 1.00 0.00 H new ATOM 1875 N LYS A 120 -16.779 2.057 -6.946 1.00 0.00 N ATOM 1876 CA LYS A 120 -16.860 0.601 -6.954 1.00 0.00 C ATOM 1877 C LYS A 120 -18.304 0.135 -6.798 1.00 0.00 C ATOM 1878 O LYS A 120 -19.036 0.625 -5.937 1.00 0.00 O ATOM 1879 CB LYS A 120 -16.000 0.016 -5.832 1.00 0.00 C ATOM 1880 CG LYS A 120 -15.450 -1.365 -6.144 1.00 0.00 C ATOM 1881 CD LYS A 120 -14.099 -1.285 -6.834 1.00 0.00 C ATOM 1882 CE LYS A 120 -14.245 -0.931 -8.306 1.00 0.00 C ATOM 1883 NZ LYS A 120 -13.078 -1.396 -9.107 1.00 0.00 N ATOM 0 H LYS A 120 -16.589 2.463 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 120 -16.485 0.247 -7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -15.169 0.692 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.594 -0.036 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -15.355 -1.937 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -16.153 -1.902 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -13.480 -0.537 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -13.583 -2.240 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -15.157 -1.380 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -14.351 0.149 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -13.216 -1.136 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -12.210 -0.948 -8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -12.992 -2.429 -9.028 1.00 0.00 H new ATOM 1897 N LYS A 121 -18.708 -0.814 -7.634 1.00 0.00 N ATOM 1898 CA LYS A 121 -20.064 -1.349 -7.588 1.00 0.00 C ATOM 1899 C LYS A 121 -20.354 -1.978 -6.229 1.00 0.00 C ATOM 1900 O LYS A 121 -21.262 -1.548 -5.517 1.00 0.00 O ATOM 1901 CB LYS A 121 -20.263 -2.387 -8.695 1.00 0.00 C ATOM 1902 CG LYS A 121 -19.951 -1.861 -10.085 1.00 0.00 C ATOM 1903 CD LYS A 121 -21.105 -1.048 -10.646 1.00 0.00 C ATOM 1904 CE LYS A 121 -22.249 -1.943 -11.099 1.00 0.00 C ATOM 1905 NZ LYS A 121 -21.891 -2.728 -12.313 1.00 0.00 N ATOM 0 H LYS A 121 -18.115 -1.229 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 121 -20.759 -0.524 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -19.628 -3.249 -8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -21.295 -2.738 -8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -19.054 -1.243 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -19.736 -2.696 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -21.464 -0.353 -9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -20.755 -0.449 -11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -22.519 -2.624 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -23.128 -1.332 -11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -22.756 -3.110 -12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -21.405 -2.111 -12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -21.262 -3.512 -12.046 1.00 0.00 H new ATOM 1919 N SER A 122 -19.577 -2.996 -5.874 1.00 0.00 N ATOM 1920 CA SER A 122 -19.753 -3.685 -4.601 1.00 0.00 C ATOM 1921 C SER A 122 -21.227 -3.739 -4.212 1.00 0.00 C ATOM 1922 O SER A 122 -21.598 -3.389 -3.091 1.00 0.00 O ATOM 1923 CB SER A 122 -18.949 -2.986 -3.503 1.00 0.00 C ATOM 1924 OG SER A 122 -19.263 -1.605 -3.442 1.00 0.00 O ATOM 0 H SER A 122 -18.819 -3.362 -6.450 1.00 0.00 H new ATOM 0 HA SER A 122 -19.388 -4.706 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 122 -19.159 -3.453 -2.541 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.883 -3.112 -3.692 1.00 0.00 H new ATOM 0 HG SER A 122 -18.737 -1.181 -2.732 1.00 0.00 H new ATOM 1930 N SER A 123 -22.064 -4.180 -5.146 1.00 0.00 N ATOM 1931 CA SER A 123 -23.498 -4.277 -4.903 1.00 0.00 C ATOM 1932 C SER A 123 -23.822 -5.490 -4.037 1.00 0.00 C ATOM 1933 O SER A 123 -24.542 -5.385 -3.045 1.00 0.00 O ATOM 1934 CB SER A 123 -24.257 -4.365 -6.229 1.00 0.00 C ATOM 1935 OG SER A 123 -23.948 -5.567 -6.914 1.00 0.00 O ATOM 0 H SER A 123 -21.773 -4.476 -6.078 1.00 0.00 H new ATOM 0 HA SER A 123 -23.813 -3.379 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 123 -25.330 -4.315 -6.042 1.00 0.00 H new ATOM 0 HB3 SER A 123 -24.002 -3.510 -6.855 1.00 0.00 H new ATOM 0 HG SER A 123 -24.447 -5.600 -7.757 1.00 0.00 H new ATOM 1941 N GLY A 124 -23.285 -6.644 -4.422 1.00 0.00 N ATOM 1942 CA GLY A 124 -23.528 -7.862 -3.671 1.00 0.00 C ATOM 1943 C GLY A 124 -22.280 -8.375 -2.979 1.00 0.00 C ATOM 1944 O GLY A 124 -21.734 -9.420 -3.332 1.00 0.00 O ATOM 0 H GLY A 124 -22.686 -6.757 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -24.303 -7.678 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -23.909 -8.630 -4.344 1.00 0.00 H new ATOM 1948 N PRO A 125 -21.810 -7.629 -1.969 1.00 0.00 N ATOM 1949 CA PRO A 125 -20.613 -7.994 -1.205 1.00 0.00 C ATOM 1950 C PRO A 125 -20.838 -9.219 -0.325 1.00 0.00 C ATOM 1951 O PRO A 125 -21.977 -9.598 -0.051 1.00 0.00 O ATOM 1952 CB PRO A 125 -20.351 -6.757 -0.343 1.00 0.00 C ATOM 1953 CG PRO A 125 -21.682 -6.102 -0.205 1.00 0.00 C ATOM 1954 CD PRO A 125 -22.411 -6.371 -1.493 1.00 0.00 C ATOM 0 HA PRO A 125 -19.780 -8.261 -1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -19.942 -7.032 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -19.629 -6.091 -0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -22.230 -6.507 0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -21.574 -5.031 -0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -23.484 -6.474 -1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -22.271 -5.562 -2.210 1.00 0.00 H new ATOM 1962 N SER A 126 -19.745 -9.834 0.115 1.00 0.00 N ATOM 1963 CA SER A 126 -19.823 -11.019 0.962 1.00 0.00 C ATOM 1964 C SER A 126 -20.038 -10.630 2.421 1.00 0.00 C ATOM 1965 O SER A 126 -19.460 -9.658 2.908 1.00 0.00 O ATOM 1966 CB SER A 126 -18.548 -11.854 0.826 1.00 0.00 C ATOM 1967 OG SER A 126 -18.622 -12.720 -0.293 1.00 0.00 O ATOM 0 H SER A 126 -18.795 -9.532 -0.101 1.00 0.00 H new ATOM 0 HA SER A 126 -20.675 -11.615 0.634 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.687 -11.194 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 126 -18.394 -12.439 1.733 1.00 0.00 H new ATOM 0 HG SER A 126 -17.872 -13.350 -0.269 1.00 0.00 H new ATOM 1973 N SER A 127 -20.873 -11.397 3.115 1.00 0.00 N ATOM 1974 CA SER A 127 -21.168 -11.132 4.518 1.00 0.00 C ATOM 1975 C SER A 127 -20.316 -12.011 5.428 1.00 0.00 C ATOM 1976 O SER A 127 -20.235 -13.224 5.239 1.00 0.00 O ATOM 1977 CB SER A 127 -22.652 -11.370 4.803 1.00 0.00 C ATOM 1978 OG SER A 127 -22.946 -12.756 4.851 1.00 0.00 O ATOM 0 H SER A 127 -21.357 -12.207 2.728 1.00 0.00 H new ATOM 0 HA SER A 127 -20.929 -10.088 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 127 -22.923 -10.905 5.751 1.00 0.00 H new ATOM 0 HB3 SER A 127 -23.255 -10.894 4.030 1.00 0.00 H new ATOM 0 HG SER A 127 -23.900 -12.882 5.036 1.00 0.00 H new ATOM 1984 N GLY A 128 -19.680 -11.389 6.416 1.00 0.00 N ATOM 1985 CA GLY A 128 -18.842 -12.129 7.341 1.00 0.00 C ATOM 1986 C GLY A 128 -17.416 -12.267 6.848 1.00 0.00 C ATOM 1987 O GLY A 128 -16.869 -11.344 6.244 1.00 0.00 O ATOM 0 H GLY A 128 -19.730 -10.386 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -18.842 -11.626 8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -19.267 -13.121 7.497 1.00 0.00 H new TER 1991 GLY A 128