USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1057 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 54 GLN : amide:sc= -0.39 K(o=-0.38,f=-3.7) USER MOD Set 1.2: A 102 TYR OH : rot -44:sc= 0.00835 USER MOD Set 2.1: A 89 ASN : amide:sc= 0.56 K(o=1.8,f=-10!) USER MOD Set 2.2: A 112 LYS NZ :NH3+ -139:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 33 TYR OH : rot 46:sc= 0.763 USER MOD Set 3.2: A 42 LYS NZ :NH3+ -126:sc= 0 (180deg=0) USER MOD Set 3.3: A 128 GLN :FLIP amide:sc= 0.242 F(o=-0.061,f=1) USER MOD Set 4.1: A 19 SER OG : rot -109:sc= 0.348 USER MOD Set 4.2: A 22 GLN : amide:sc= -0.464 K(o=-0.12,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 17:sc= 0.0197 USER MOD Single : A 3 SER OG : rot 138:sc= 0.0725 USER MOD Single : A 5 SER OG : rot 166:sc= 0.555 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 12 THR OG1 : rot 92:sc= -0.662 USER MOD Single : A 14 ASN : amide:sc=-0.00281 X(o=-0.0028,f=-0.084) USER MOD Single : A 20 MET CE :methyl -153:sc= -1.34 (180deg=-2.72!) USER MOD Single : A 25 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.4) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.812 F(o=-3.5!,f=-0.81) USER MOD Single : A 44 ASN : amide:sc= -4.51! C(o=-4.5!,f=-9.8!) USER MOD Single : A 46 TYR OH : rot 97:sc= -1.28 USER MOD Single : A 47 SER OG : rot -73:sc= 1.08 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.415 X(o=-0.41,f=-0.43) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.549 K(o=0.55,f=-4.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 68 TYR OH : rot 4:sc= 0.413 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= 0.0113 F(o=-0.55,f=0.011) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 82 GLN : amide:sc= 1.11 K(o=1.1,f=-3.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -110:sc= -2.18! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.07) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot -94:sc= 0.71 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -55:sc= 1.14 USER MOD Single : A 115 THR OG1 : rot 159:sc= 0.00664 USER MOD Single : A 116 THR OG1 : rot -77:sc= 0.952 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.881 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.053) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 HIS :FLIP no HE2:sc= -2.69 F(o=-4.1!,f=-2.7) USER MOD Single : A 137 LYS NZ :NH3+ 157:sc= -0.0502 (180deg=-0.373) USER MOD Single : A 139 ASN : amide:sc= -0.0918 X(o=-0.092,f=-0.092) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 26:sc= 0.053 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.106 19.016 -18.656 1.00 0.00 N ATOM 2 CA GLY A 1 -18.864 18.759 -19.361 1.00 0.00 C ATOM 3 C GLY A 1 -18.412 17.318 -19.235 1.00 0.00 C ATOM 4 O GLY A 1 -19.125 16.399 -19.638 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.371 20.015 -18.773 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.857 18.410 -19.044 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.981 18.808 -17.645 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.991 19.006 -20.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.086 19.416 -18.971 1.00 0.00 H new ATOM 8 N SER A 2 -17.223 17.119 -18.675 1.00 0.00 N ATOM 9 CA SER A 2 -16.674 15.779 -18.501 1.00 0.00 C ATOM 10 C SER A 2 -15.940 15.661 -17.169 1.00 0.00 C ATOM 11 O SER A 2 -14.972 16.377 -16.916 1.00 0.00 O ATOM 12 CB SER A 2 -15.724 15.442 -19.652 1.00 0.00 C ATOM 13 OG SER A 2 -16.442 15.031 -20.802 1.00 0.00 O ATOM 0 H SER A 2 -16.621 17.869 -18.334 1.00 0.00 H new ATOM 0 HA SER A 2 -17.502 15.070 -18.503 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.115 16.313 -19.892 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.041 14.651 -19.344 1.00 0.00 H new ATOM 0 HG SER A 2 -17.380 15.300 -20.715 1.00 0.00 H new ATOM 19 N SER A 3 -16.409 14.751 -16.321 1.00 0.00 N ATOM 20 CA SER A 3 -15.801 14.540 -15.013 1.00 0.00 C ATOM 21 C SER A 3 -16.111 13.142 -14.488 1.00 0.00 C ATOM 22 O SER A 3 -17.205 12.618 -14.693 1.00 0.00 O ATOM 23 CB SER A 3 -16.300 15.592 -14.019 1.00 0.00 C ATOM 24 OG SER A 3 -15.984 15.225 -12.687 1.00 0.00 O ATOM 0 H SER A 3 -17.208 14.148 -16.517 1.00 0.00 H new ATOM 0 HA SER A 3 -14.721 14.637 -15.123 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.850 16.558 -14.250 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.379 15.710 -14.121 1.00 0.00 H new ATOM 0 HG SER A 3 -15.666 16.012 -12.197 1.00 0.00 H new ATOM 30 N GLY A 4 -15.138 12.541 -13.810 1.00 0.00 N ATOM 31 CA GLY A 4 -15.325 11.209 -13.266 1.00 0.00 C ATOM 32 C GLY A 4 -15.148 11.166 -11.762 1.00 0.00 C ATOM 33 O GLY A 4 -16.069 10.799 -11.032 1.00 0.00 O ATOM 0 H GLY A 4 -14.223 12.953 -13.628 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.323 10.853 -13.521 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.614 10.527 -13.732 1.00 0.00 H new ATOM 37 N SER A 5 -13.961 11.541 -11.296 1.00 0.00 N ATOM 38 CA SER A 5 -13.665 11.539 -9.868 1.00 0.00 C ATOM 39 C SER A 5 -14.262 12.767 -9.187 1.00 0.00 C ATOM 40 O SER A 5 -14.594 13.754 -9.844 1.00 0.00 O ATOM 41 CB SER A 5 -12.153 11.500 -9.640 1.00 0.00 C ATOM 42 OG SER A 5 -11.847 11.453 -8.257 1.00 0.00 O ATOM 0 H SER A 5 -13.189 11.850 -11.886 1.00 0.00 H new ATOM 0 HA SER A 5 -14.115 10.648 -9.430 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.729 10.629 -10.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.692 12.380 -10.088 1.00 0.00 H new ATOM 0 HG SER A 5 -10.908 11.200 -8.138 1.00 0.00 H new ATOM 48 N SER A 6 -14.394 12.698 -7.867 1.00 0.00 N ATOM 49 CA SER A 6 -14.955 13.802 -7.096 1.00 0.00 C ATOM 50 C SER A 6 -13.847 14.664 -6.499 1.00 0.00 C ATOM 51 O SER A 6 -13.771 15.864 -6.758 1.00 0.00 O ATOM 52 CB SER A 6 -15.857 13.267 -5.982 1.00 0.00 C ATOM 53 OG SER A 6 -16.326 14.320 -5.157 1.00 0.00 O ATOM 0 H SER A 6 -14.120 11.890 -7.308 1.00 0.00 H new ATOM 0 HA SER A 6 -15.549 14.419 -7.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.704 12.737 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.306 12.545 -5.379 1.00 0.00 H new ATOM 0 HG SER A 6 -16.901 13.953 -4.454 1.00 0.00 H new ATOM 59 N GLY A 7 -12.989 14.042 -5.696 1.00 0.00 N ATOM 60 CA GLY A 7 -11.897 14.767 -5.073 1.00 0.00 C ATOM 61 C GLY A 7 -10.541 14.186 -5.423 1.00 0.00 C ATOM 62 O GLY A 7 -9.859 14.680 -6.321 1.00 0.00 O ATOM 0 H GLY A 7 -13.031 13.049 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.933 15.811 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.026 14.753 -3.991 1.00 0.00 H new ATOM 66 N VAL A 8 -10.148 13.135 -4.711 1.00 0.00 N ATOM 67 CA VAL A 8 -8.864 12.486 -4.951 1.00 0.00 C ATOM 68 C VAL A 8 -8.910 11.625 -6.208 1.00 0.00 C ATOM 69 O VAL A 8 -9.902 10.944 -6.472 1.00 0.00 O ATOM 70 CB VAL A 8 -8.447 11.609 -3.756 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.453 10.489 -3.538 1.00 0.00 C ATOM 72 CG2 VAL A 8 -7.049 11.047 -3.970 1.00 0.00 C ATOM 0 H VAL A 8 -10.700 12.715 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.128 13.279 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.431 12.230 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.141 9.880 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.435 10.916 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.504 9.867 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.770 10.430 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.035 10.441 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.339 11.867 -4.072 1.00 0.00 H new ATOM 82 N LYS A 9 -7.830 11.658 -6.981 1.00 0.00 N ATOM 83 CA LYS A 9 -7.745 10.879 -8.211 1.00 0.00 C ATOM 84 C LYS A 9 -7.498 9.405 -7.905 1.00 0.00 C ATOM 85 O LYS A 9 -7.209 9.037 -6.767 1.00 0.00 O ATOM 86 CB LYS A 9 -6.626 11.419 -9.105 1.00 0.00 C ATOM 87 CG LYS A 9 -6.919 12.794 -9.681 1.00 0.00 C ATOM 88 CD LYS A 9 -5.747 13.319 -10.493 1.00 0.00 C ATOM 89 CE LYS A 9 -4.691 13.954 -9.601 1.00 0.00 C ATOM 90 NZ LYS A 9 -3.860 14.943 -10.342 1.00 0.00 N ATOM 0 H LYS A 9 -7.001 12.216 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.696 10.969 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.702 11.465 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.457 10.720 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.807 12.744 -10.312 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.142 13.489 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.302 12.502 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.103 14.053 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.176 14.446 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.048 13.176 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.153 15.353 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.377 14.468 -11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.469 15.699 -10.714 1.00 0.00 H new ATOM 104 N PHE A 10 -7.614 8.566 -8.929 1.00 0.00 N ATOM 105 CA PHE A 10 -7.403 7.132 -8.770 1.00 0.00 C ATOM 106 C PHE A 10 -6.229 6.657 -9.621 1.00 0.00 C ATOM 107 O PHE A 10 -5.952 7.215 -10.684 1.00 0.00 O ATOM 108 CB PHE A 10 -8.669 6.363 -9.152 1.00 0.00 C ATOM 109 CG PHE A 10 -9.860 6.709 -8.305 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.888 6.379 -6.959 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.950 7.365 -8.853 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.983 6.696 -6.177 1.00 0.00 C ATOM 113 CE2 PHE A 10 -12.048 7.685 -8.076 1.00 0.00 C ATOM 114 CZ PHE A 10 -12.063 7.351 -6.736 1.00 0.00 C ATOM 0 H PHE A 10 -7.853 8.854 -9.878 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.171 6.938 -7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.905 6.565 -10.197 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.473 5.294 -9.070 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.045 5.869 -6.516 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.942 7.630 -9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.994 6.432 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.892 8.195 -8.516 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.918 7.602 -6.126 1.00 0.00 H new ATOM 124 N LEU A 11 -5.543 5.623 -9.147 1.00 0.00 N ATOM 125 CA LEU A 11 -4.398 5.071 -9.864 1.00 0.00 C ATOM 126 C LEU A 11 -3.393 6.166 -10.209 1.00 0.00 C ATOM 127 O LEU A 11 -2.748 6.124 -11.257 1.00 0.00 O ATOM 128 CB LEU A 11 -4.861 4.367 -11.140 1.00 0.00 C ATOM 129 CG LEU A 11 -5.676 3.088 -10.944 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.313 2.654 -12.255 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.800 1.979 -10.381 1.00 0.00 C ATOM 0 H LEU A 11 -5.759 5.150 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.909 4.346 -9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.458 5.069 -11.722 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.982 4.126 -11.737 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.472 3.293 -10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.889 1.742 -12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.974 3.442 -12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.534 2.466 -12.994 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.396 1.076 -10.248 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.982 1.775 -11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.393 2.290 -9.419 1.00 0.00 H new ATOM 143 N THR A 12 -3.263 7.145 -9.319 1.00 0.00 N ATOM 144 CA THR A 12 -2.336 8.250 -9.529 1.00 0.00 C ATOM 145 C THR A 12 -1.581 8.585 -8.247 1.00 0.00 C ATOM 146 O THR A 12 -2.161 8.607 -7.161 1.00 0.00 O ATOM 147 CB THR A 12 -3.069 9.511 -10.024 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.136 9.842 -9.128 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.623 9.300 -11.425 1.00 0.00 C ATOM 0 H THR A 12 -3.788 7.195 -8.446 1.00 0.00 H new ATOM 0 HA THR A 12 -1.627 7.928 -10.292 1.00 0.00 H new ATOM 0 HB THR A 12 -2.353 10.332 -10.053 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.810 10.470 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.136 10.204 -11.753 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.805 9.078 -12.110 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.325 8.467 -11.417 1.00 0.00 H new ATOM 157 N VAL A 13 -0.285 8.846 -8.381 1.00 0.00 N ATOM 158 CA VAL A 13 0.549 9.182 -7.234 1.00 0.00 C ATOM 159 C VAL A 13 0.180 10.548 -6.667 1.00 0.00 C ATOM 160 O VAL A 13 0.311 11.568 -7.343 1.00 0.00 O ATOM 161 CB VAL A 13 2.044 9.180 -7.606 1.00 0.00 C ATOM 162 CG1 VAL A 13 2.888 9.652 -6.432 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.477 7.794 -8.062 1.00 0.00 C ATOM 0 H VAL A 13 0.210 8.831 -9.273 1.00 0.00 H new ATOM 0 HA VAL A 13 0.369 8.417 -6.478 1.00 0.00 H new ATOM 0 HB VAL A 13 2.196 9.874 -8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.941 9.644 -6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.594 10.665 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.735 8.986 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.536 7.810 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.311 7.078 -7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.894 7.500 -8.935 1.00 0.00 H new ATOM 173 N ASN A 14 -0.281 10.561 -5.421 1.00 0.00 N ATOM 174 CA ASN A 14 -0.670 11.803 -4.762 1.00 0.00 C ATOM 175 C ASN A 14 0.507 12.407 -4.002 1.00 0.00 C ATOM 176 O ASN A 14 0.922 11.888 -2.965 1.00 0.00 O ATOM 177 CB ASN A 14 -1.836 11.553 -3.804 1.00 0.00 C ATOM 178 CG ASN A 14 -2.846 10.571 -4.366 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.269 10.689 -5.515 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.236 9.595 -3.554 1.00 0.00 N ATOM 0 H ASN A 14 -0.395 9.726 -4.847 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.985 12.510 -5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.450 11.172 -2.858 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.334 12.498 -3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.913 8.904 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.858 9.537 -2.608 1.00 0.00 H new ATOM 187 N ASP A 15 1.040 13.506 -4.524 1.00 0.00 N ATOM 188 CA ASP A 15 2.169 14.182 -3.894 1.00 0.00 C ATOM 189 C ASP A 15 2.051 14.134 -2.374 1.00 0.00 C ATOM 190 O ASP A 15 2.963 13.676 -1.685 1.00 0.00 O ATOM 191 CB ASP A 15 2.248 15.635 -4.366 1.00 0.00 C ATOM 192 CG ASP A 15 1.003 16.426 -4.016 1.00 0.00 C ATOM 193 OD1 ASP A 15 0.012 16.338 -4.770 1.00 0.00 O ATOM 194 OD2 ASP A 15 1.020 17.133 -2.986 1.00 0.00 O ATOM 0 H ASP A 15 0.709 13.948 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 15 3.082 13.663 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.118 16.114 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.396 15.656 -5.446 1.00 0.00 H new ATOM 199 N ASP A 16 0.924 14.610 -1.857 1.00 0.00 N ATOM 200 CA ASP A 16 0.687 14.622 -0.418 1.00 0.00 C ATOM 201 C ASP A 16 1.288 13.384 0.241 1.00 0.00 C ATOM 202 O ASP A 16 0.740 12.286 0.137 1.00 0.00 O ATOM 203 CB ASP A 16 -0.813 14.692 -0.127 1.00 0.00 C ATOM 204 CG ASP A 16 -1.396 16.060 -0.424 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.187 16.983 0.389 1.00 0.00 O ATOM 206 OD2 ASP A 16 -2.063 16.206 -1.471 1.00 0.00 O ATOM 0 H ASP A 16 0.160 14.993 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 16 1.171 15.505 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.332 13.942 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.989 14.444 0.920 1.00 0.00 H new ATOM 211 N ILE A 17 2.416 13.570 0.918 1.00 0.00 N ATOM 212 CA ILE A 17 3.091 12.469 1.594 1.00 0.00 C ATOM 213 C ILE A 17 2.436 12.164 2.937 1.00 0.00 C ATOM 214 O ILE A 17 2.181 13.067 3.735 1.00 0.00 O ATOM 215 CB ILE A 17 4.583 12.777 1.821 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.741 14.032 2.681 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.297 12.947 0.488 1.00 0.00 C ATOM 218 CD1 ILE A 17 6.183 14.408 2.941 1.00 0.00 C ATOM 0 H ILE A 17 2.882 14.473 1.013 1.00 0.00 H new ATOM 0 HA ILE A 17 3.003 11.599 0.944 1.00 0.00 H new ATOM 0 HB ILE A 17 5.037 11.938 2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.240 14.865 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.237 13.875 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.350 13.164 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.208 12.028 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.844 13.770 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.219 15.307 3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.684 13.591 3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.686 14.597 1.993 1.00 0.00 H new ATOM 230 N LEU A 18 2.167 10.886 3.181 1.00 0.00 N ATOM 231 CA LEU A 18 1.544 10.461 4.429 1.00 0.00 C ATOM 232 C LEU A 18 2.006 9.061 4.819 1.00 0.00 C ATOM 233 O LEU A 18 2.326 8.240 3.960 1.00 0.00 O ATOM 234 CB LEU A 18 0.020 10.489 4.296 1.00 0.00 C ATOM 235 CG LEU A 18 -0.630 11.873 4.317 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.122 11.766 4.042 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.380 12.560 5.652 1.00 0.00 C ATOM 0 H LEU A 18 2.371 10.127 2.531 1.00 0.00 H new ATOM 0 HA LEU A 18 1.847 11.155 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.252 9.996 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.406 9.897 5.106 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.178 12.477 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.568 12.761 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.280 11.316 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.589 11.145 4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.850 13.544 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.804 11.958 6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.693 12.671 5.809 1.00 0.00 H new ATOM 249 N SER A 19 2.036 8.794 6.121 1.00 0.00 N ATOM 250 CA SER A 19 2.460 7.493 6.626 1.00 0.00 C ATOM 251 C SER A 19 1.495 6.398 6.182 1.00 0.00 C ATOM 252 O SER A 19 0.362 6.675 5.789 1.00 0.00 O ATOM 253 CB SER A 19 2.552 7.520 8.153 1.00 0.00 C ATOM 254 OG SER A 19 1.264 7.590 8.740 1.00 0.00 O ATOM 0 H SER A 19 1.772 9.462 6.846 1.00 0.00 H new ATOM 0 HA SER A 19 3.445 7.274 6.214 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.068 6.627 8.505 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.147 8.377 8.470 1.00 0.00 H new ATOM 0 HG SER A 19 1.131 8.479 9.131 1.00 0.00 H new ATOM 260 N MET A 20 1.953 5.152 6.249 1.00 0.00 N ATOM 261 CA MET A 20 1.131 4.014 5.856 1.00 0.00 C ATOM 262 C MET A 20 -0.231 4.065 6.539 1.00 0.00 C ATOM 263 O MET A 20 -1.278 3.968 5.899 1.00 0.00 O ATOM 264 CB MET A 20 1.839 2.702 6.201 1.00 0.00 C ATOM 265 CG MET A 20 1.589 1.592 5.194 1.00 0.00 C ATOM 266 SD MET A 20 0.151 0.587 5.611 1.00 0.00 S ATOM 267 CE MET A 20 -0.318 -0.021 3.993 1.00 0.00 C ATOM 0 H MET A 20 2.889 4.905 6.572 1.00 0.00 H new ATOM 0 HA MET A 20 0.979 4.064 4.778 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.911 2.885 6.269 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.509 2.369 7.185 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.448 2.029 4.205 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.470 0.953 5.137 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.387 -0.233 3.980 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.088 0.733 3.240 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.236 -0.934 3.773 1.00 0.00 H new ATOM 277 N PRO A 21 -0.221 4.221 7.872 1.00 0.00 N ATOM 278 CA PRO A 21 -1.448 4.289 8.670 1.00 0.00 C ATOM 279 C PRO A 21 -2.227 5.577 8.427 1.00 0.00 C ATOM 280 O PRO A 21 -3.308 5.773 8.982 1.00 0.00 O ATOM 281 CB PRO A 21 -0.936 4.238 10.112 1.00 0.00 C ATOM 282 CG PRO A 21 0.454 4.769 10.040 1.00 0.00 C ATOM 283 CD PRO A 21 0.990 4.344 8.700 1.00 0.00 C ATOM 0 HA PRO A 21 -2.142 3.486 8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.557 4.842 10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.951 3.220 10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.463 5.855 10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.066 4.371 10.849 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.683 5.080 8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.530 3.400 8.764 1.00 0.00 H new ATOM 291 N GLN A 22 -1.671 6.452 7.595 1.00 0.00 N ATOM 292 CA GLN A 22 -2.316 7.721 7.280 1.00 0.00 C ATOM 293 C GLN A 22 -2.865 7.714 5.857 1.00 0.00 C ATOM 294 O GLN A 22 -3.884 8.343 5.572 1.00 0.00 O ATOM 295 CB GLN A 22 -1.327 8.876 7.452 1.00 0.00 C ATOM 296 CG GLN A 22 -1.230 9.386 8.880 1.00 0.00 C ATOM 297 CD GLN A 22 -0.209 10.496 9.035 1.00 0.00 C ATOM 298 OE1 GLN A 22 0.943 10.250 9.391 1.00 0.00 O ATOM 299 NE2 GLN A 22 -0.628 11.728 8.768 1.00 0.00 N ATOM 0 H GLN A 22 -0.776 6.305 7.127 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.148 7.858 7.970 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.340 8.550 7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.624 9.698 6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.207 9.749 9.199 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.966 8.560 9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.592 11.887 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.015 12.515 8.855 1.00 0.00 H new ATOM 308 N ALA A 23 -2.183 6.999 4.968 1.00 0.00 N ATOM 309 CA ALA A 23 -2.604 6.909 3.575 1.00 0.00 C ATOM 310 C ALA A 23 -3.858 6.054 3.435 1.00 0.00 C ATOM 311 O ALA A 23 -4.904 6.535 2.999 1.00 0.00 O ATOM 312 CB ALA A 23 -1.479 6.345 2.720 1.00 0.00 C ATOM 0 H ALA A 23 -1.337 6.474 5.188 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.841 7.914 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.807 6.283 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.609 6.998 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.215 5.350 3.077 1.00 0.00 H new ATOM 318 N ARG A 24 -3.746 4.783 3.807 1.00 0.00 N ATOM 319 CA ARG A 24 -4.872 3.860 3.721 1.00 0.00 C ATOM 320 C ARG A 24 -6.135 4.486 4.304 1.00 0.00 C ATOM 321 O ARG A 24 -7.224 4.340 3.751 1.00 0.00 O ATOM 322 CB ARG A 24 -4.549 2.558 4.457 1.00 0.00 C ATOM 323 CG ARG A 24 -4.242 2.753 5.933 1.00 0.00 C ATOM 324 CD ARG A 24 -3.884 1.437 6.605 1.00 0.00 C ATOM 325 NE ARG A 24 -4.286 1.413 8.009 1.00 0.00 N ATOM 326 CZ ARG A 24 -4.282 0.314 8.756 1.00 0.00 C ATOM 327 NH1 ARG A 24 -3.899 -0.844 8.236 1.00 0.00 N ATOM 328 NH2 ARG A 24 -4.662 0.372 10.026 1.00 0.00 N ATOM 0 H ARG A 24 -2.888 4.369 4.171 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.049 3.640 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.393 1.875 4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.695 2.081 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.417 3.456 6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.106 3.194 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.367 0.616 6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.809 1.274 6.533 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.586 2.288 8.440 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.606 -0.893 7.260 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.897 -1.686 8.812 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.958 1.261 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.659 -0.472 10.598 1.00 0.00 H new ATOM 342 N ASN A 25 -5.980 5.184 5.425 1.00 0.00 N ATOM 343 CA ASN A 25 -7.108 5.832 6.084 1.00 0.00 C ATOM 344 C ASN A 25 -7.727 6.895 5.182 1.00 0.00 C ATOM 345 O ASN A 25 -8.948 7.041 5.124 1.00 0.00 O ATOM 346 CB ASN A 25 -6.661 6.463 7.404 1.00 0.00 C ATOM 347 CG ASN A 25 -7.503 7.665 7.785 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.728 7.575 7.876 1.00 0.00 O ATOM 349 ND2 ASN A 25 -6.850 8.799 8.009 1.00 0.00 N ATOM 0 H ASN A 25 -5.085 5.315 5.895 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.862 5.072 6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.717 5.717 8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.617 6.765 7.324 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.364 9.641 8.268 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.834 8.828 7.922 1.00 0.00 H new ATOM 356 N PHE A 26 -6.876 7.636 4.480 1.00 0.00 N ATOM 357 CA PHE A 26 -7.339 8.687 3.581 1.00 0.00 C ATOM 358 C PHE A 26 -8.117 8.096 2.409 1.00 0.00 C ATOM 359 O PHE A 26 -9.308 8.361 2.243 1.00 0.00 O ATOM 360 CB PHE A 26 -6.153 9.502 3.062 1.00 0.00 C ATOM 361 CG PHE A 26 -6.526 10.491 1.995 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.596 10.104 0.667 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.809 11.808 2.321 1.00 0.00 C ATOM 364 CE1 PHE A 26 -6.938 11.013 -0.317 1.00 0.00 C ATOM 365 CE2 PHE A 26 -7.153 12.721 1.342 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.218 12.322 0.021 1.00 0.00 C ATOM 0 H PHE A 26 -5.862 7.528 4.516 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.004 9.344 4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.696 10.035 3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.399 8.821 2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.381 9.081 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.760 12.125 3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.986 10.699 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.371 13.745 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.487 13.033 -0.746 1.00 0.00 H new ATOM 376 N CYS A 27 -7.434 7.296 1.597 1.00 0.00 N ATOM 377 CA CYS A 27 -8.058 6.667 0.439 1.00 0.00 C ATOM 378 C CYS A 27 -9.434 6.113 0.797 1.00 0.00 C ATOM 379 O CYS A 27 -10.403 6.307 0.063 1.00 0.00 O ATOM 380 CB CYS A 27 -7.169 5.546 -0.100 1.00 0.00 C ATOM 381 SG CYS A 27 -5.556 6.113 -0.729 1.00 0.00 S ATOM 0 H CYS A 27 -6.447 7.068 1.720 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.181 7.426 -0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.002 4.817 0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.698 5.030 -0.901 1.00 0.00 H new ATOM 386 N ALA A 28 -9.511 5.422 1.930 1.00 0.00 N ATOM 387 CA ALA A 28 -10.768 4.841 2.386 1.00 0.00 C ATOM 388 C ALA A 28 -11.825 5.919 2.599 1.00 0.00 C ATOM 389 O ALA A 28 -12.958 5.792 2.133 1.00 0.00 O ATOM 390 CB ALA A 28 -10.550 4.053 3.669 1.00 0.00 C ATOM 0 H ALA A 28 -8.718 5.251 2.549 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.128 4.163 1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.497 3.625 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.833 3.252 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.164 4.717 4.442 1.00 0.00 H new ATOM 396 N SER A 29 -11.449 6.980 3.306 1.00 0.00 N ATOM 397 CA SER A 29 -12.367 8.078 3.584 1.00 0.00 C ATOM 398 C SER A 29 -12.858 8.717 2.289 1.00 0.00 C ATOM 399 O SER A 29 -14.035 9.049 2.155 1.00 0.00 O ATOM 400 CB SER A 29 -11.685 9.131 4.460 1.00 0.00 C ATOM 401 OG SER A 29 -11.758 8.780 5.831 1.00 0.00 O ATOM 0 H SER A 29 -10.515 7.102 3.697 1.00 0.00 H new ATOM 0 HA SER A 29 -13.227 7.674 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.641 9.235 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.159 10.100 4.304 1.00 0.00 H new ATOM 0 HG SER A 29 -11.314 9.468 6.369 1.00 0.00 H new ATOM 407 N ALA A 30 -11.945 8.887 1.338 1.00 0.00 N ATOM 408 CA ALA A 30 -12.284 9.485 0.052 1.00 0.00 C ATOM 409 C ALA A 30 -13.217 8.579 -0.745 1.00 0.00 C ATOM 410 O ALA A 30 -14.191 9.042 -1.336 1.00 0.00 O ATOM 411 CB ALA A 30 -11.021 9.777 -0.743 1.00 0.00 C ATOM 0 H ALA A 30 -10.965 8.619 1.434 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.806 10.423 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.289 10.223 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.391 10.469 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.476 8.849 -0.915 1.00 0.00 H new ATOM 417 N GLY A 31 -12.910 7.286 -0.758 1.00 0.00 N ATOM 418 CA GLY A 31 -13.730 6.336 -1.487 1.00 0.00 C ATOM 419 C GLY A 31 -12.902 5.344 -2.280 1.00 0.00 C ATOM 420 O GLY A 31 -13.222 5.033 -3.427 1.00 0.00 O ATOM 0 H GLY A 31 -12.108 6.879 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.365 5.795 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.391 6.876 -2.164 1.00 0.00 H new ATOM 424 N GLY A 32 -11.832 4.845 -1.668 1.00 0.00 N ATOM 425 CA GLY A 32 -10.971 3.889 -2.340 1.00 0.00 C ATOM 426 C GLY A 32 -10.020 3.195 -1.385 1.00 0.00 C ATOM 427 O GLY A 32 -10.172 3.290 -0.167 1.00 0.00 O ATOM 0 H GLY A 32 -11.546 5.086 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.585 3.142 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.397 4.402 -3.112 1.00 0.00 H new ATOM 431 N TYR A 33 -9.037 2.493 -1.939 1.00 0.00 N ATOM 432 CA TYR A 33 -8.060 1.776 -1.128 1.00 0.00 C ATOM 433 C TYR A 33 -6.726 1.659 -1.860 1.00 0.00 C ATOM 434 O TYR A 33 -6.658 1.811 -3.080 1.00 0.00 O ATOM 435 CB TYR A 33 -8.583 0.384 -0.774 1.00 0.00 C ATOM 436 CG TYR A 33 -8.482 -0.609 -1.910 1.00 0.00 C ATOM 437 CD1 TYR A 33 -9.312 -0.512 -3.020 1.00 0.00 C ATOM 438 CD2 TYR A 33 -7.556 -1.645 -1.873 1.00 0.00 C ATOM 439 CE1 TYR A 33 -9.223 -1.417 -4.060 1.00 0.00 C ATOM 440 CE2 TYR A 33 -7.459 -2.553 -2.909 1.00 0.00 C ATOM 441 CZ TYR A 33 -8.295 -2.435 -4.000 1.00 0.00 C ATOM 442 OH TYR A 33 -8.202 -3.339 -5.034 1.00 0.00 O ATOM 0 H TYR A 33 -8.896 2.405 -2.945 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.902 2.342 -0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.025 0.002 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.625 0.465 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.039 0.285 -3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.901 -1.741 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.877 -1.328 -4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.733 -3.351 -2.865 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.201 -2.859 -5.889 1.00 0.00 H new ATOM 452 N LEU A 34 -5.667 1.389 -1.105 1.00 0.00 N ATOM 453 CA LEU A 34 -4.333 1.250 -1.680 1.00 0.00 C ATOM 454 C LEU A 34 -4.352 0.305 -2.877 1.00 0.00 C ATOM 455 O LEU A 34 -4.962 -0.763 -2.828 1.00 0.00 O ATOM 456 CB LEU A 34 -3.352 0.736 -0.625 1.00 0.00 C ATOM 457 CG LEU A 34 -2.812 1.779 0.354 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.078 1.105 1.502 1.00 0.00 C ATOM 459 CD2 LEU A 34 -1.896 2.760 -0.364 1.00 0.00 C ATOM 0 H LEU A 34 -5.706 1.262 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.007 2.233 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.844 -0.050 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.507 0.276 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.655 2.334 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.701 1.863 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.762 0.443 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.243 0.524 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.521 3.495 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.058 2.220 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.453 3.268 -1.151 1.00 0.00 H new ATOM 471 N ALA A 35 -3.677 0.704 -3.950 1.00 0.00 N ATOM 472 CA ALA A 35 -3.612 -0.110 -5.158 1.00 0.00 C ATOM 473 C ALA A 35 -2.543 -1.191 -5.035 1.00 0.00 C ATOM 474 O ALA A 35 -1.362 -0.892 -4.858 1.00 0.00 O ATOM 475 CB ALA A 35 -3.342 0.767 -6.371 1.00 0.00 C ATOM 0 H ALA A 35 -3.167 1.586 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.576 -0.603 -5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.296 0.146 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.144 1.498 -6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.393 1.286 -6.240 1.00 0.00 H new ATOM 481 N ASP A 36 -2.965 -2.447 -5.130 1.00 0.00 N ATOM 482 CA ASP A 36 -2.043 -3.572 -5.030 1.00 0.00 C ATOM 483 C ASP A 36 -1.107 -3.617 -6.234 1.00 0.00 C ATOM 484 O ASP A 36 -1.401 -3.043 -7.282 1.00 0.00 O ATOM 485 CB ASP A 36 -2.819 -4.886 -4.922 1.00 0.00 C ATOM 486 CG ASP A 36 -4.149 -4.717 -4.215 1.00 0.00 C ATOM 487 OD1 ASP A 36 -4.234 -3.861 -3.309 1.00 0.00 O ATOM 488 OD2 ASP A 36 -5.104 -5.441 -4.565 1.00 0.00 O ATOM 0 H ASP A 36 -3.939 -2.712 -5.276 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.442 -3.439 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.990 -5.286 -5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.216 -5.618 -4.385 1.00 0.00 H new ATOM 493 N ASP A 37 0.021 -4.300 -6.074 1.00 0.00 N ATOM 494 CA ASP A 37 1.000 -4.420 -7.148 1.00 0.00 C ATOM 495 C ASP A 37 1.381 -5.879 -7.377 1.00 0.00 C ATOM 496 O ASP A 37 2.526 -6.275 -7.158 1.00 0.00 O ATOM 497 CB ASP A 37 2.249 -3.600 -6.821 1.00 0.00 C ATOM 498 CG ASP A 37 2.091 -2.136 -7.183 1.00 0.00 C ATOM 499 OD1 ASP A 37 1.051 -1.545 -6.825 1.00 0.00 O ATOM 500 OD2 ASP A 37 3.009 -1.581 -7.824 1.00 0.00 O ATOM 0 H ASP A 37 0.280 -4.779 -5.211 1.00 0.00 H new ATOM 0 HA ASP A 37 0.549 -4.034 -8.062 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.469 -3.687 -5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.103 -4.014 -7.358 1.00 0.00 H new ATOM 505 N LEU A 38 0.413 -6.676 -7.817 1.00 0.00 N ATOM 506 CA LEU A 38 0.645 -8.093 -8.075 1.00 0.00 C ATOM 507 C LEU A 38 0.406 -8.425 -9.544 1.00 0.00 C ATOM 508 O LEU A 38 -0.723 -8.694 -9.954 1.00 0.00 O ATOM 509 CB LEU A 38 -0.265 -8.948 -7.191 1.00 0.00 C ATOM 510 CG LEU A 38 -1.693 -8.436 -7.005 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.636 -9.587 -6.689 1.00 0.00 C ATOM 512 CD2 LEU A 38 -1.744 -7.385 -5.905 1.00 0.00 C ATOM 0 H LEU A 38 -0.540 -6.365 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 38 1.685 -8.315 -7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.312 -9.951 -7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.198 -9.039 -6.208 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.017 -7.973 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.648 -9.203 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.622 -10.305 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.315 -10.079 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.768 -7.032 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.400 -7.822 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.100 -6.547 -6.172 1.00 0.00 H new ATOM 524 N GLY A 39 1.477 -8.408 -10.332 1.00 0.00 N ATOM 525 CA GLY A 39 1.362 -8.712 -11.746 1.00 0.00 C ATOM 526 C GLY A 39 2.410 -8.001 -12.579 1.00 0.00 C ATOM 527 O GLY A 39 2.781 -6.864 -12.283 1.00 0.00 O ATOM 0 H GLY A 39 2.422 -8.189 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.455 -9.788 -11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.370 -8.428 -12.096 1.00 0.00 H new ATOM 531 N ASP A 40 2.890 -8.670 -13.621 1.00 0.00 N ATOM 532 CA ASP A 40 3.903 -8.095 -14.499 1.00 0.00 C ATOM 533 C ASP A 40 3.375 -6.842 -15.189 1.00 0.00 C ATOM 534 O ASP A 40 4.129 -5.907 -15.460 1.00 0.00 O ATOM 535 CB ASP A 40 4.344 -9.121 -15.544 1.00 0.00 C ATOM 536 CG ASP A 40 5.687 -8.780 -16.160 1.00 0.00 C ATOM 537 OD1 ASP A 40 6.685 -8.718 -15.411 1.00 0.00 O ATOM 538 OD2 ASP A 40 5.740 -8.575 -17.390 1.00 0.00 O ATOM 0 H ASP A 40 2.594 -9.611 -13.879 1.00 0.00 H new ATOM 0 HA ASP A 40 4.763 -7.817 -13.889 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.400 -10.106 -15.081 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.592 -9.181 -16.330 1.00 0.00 H new ATOM 543 N ASP A 41 2.077 -6.830 -15.472 1.00 0.00 N ATOM 544 CA ASP A 41 1.448 -5.692 -16.131 1.00 0.00 C ATOM 545 C ASP A 41 1.140 -4.585 -15.127 1.00 0.00 C ATOM 546 O ASP A 41 1.271 -3.400 -15.434 1.00 0.00 O ATOM 547 CB ASP A 41 0.164 -6.129 -16.837 1.00 0.00 C ATOM 548 CG ASP A 41 0.434 -7.048 -18.013 1.00 0.00 C ATOM 549 OD1 ASP A 41 1.185 -6.640 -18.923 1.00 0.00 O ATOM 550 OD2 ASP A 41 -0.106 -8.174 -18.022 1.00 0.00 O ATOM 0 H ASP A 41 1.440 -7.596 -15.255 1.00 0.00 H new ATOM 0 HA ASP A 41 2.146 -5.302 -16.872 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.484 -6.638 -16.124 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.374 -5.247 -17.185 1.00 0.00 H new ATOM 555 N LYS A 42 0.729 -4.979 -13.927 1.00 0.00 N ATOM 556 CA LYS A 42 0.402 -4.022 -12.877 1.00 0.00 C ATOM 557 C LYS A 42 1.649 -3.280 -12.409 1.00 0.00 C ATOM 558 O LYS A 42 1.688 -2.050 -12.411 1.00 0.00 O ATOM 559 CB LYS A 42 -0.253 -4.737 -11.693 1.00 0.00 C ATOM 560 CG LYS A 42 -1.120 -3.829 -10.838 1.00 0.00 C ATOM 561 CD LYS A 42 -2.441 -3.515 -11.520 1.00 0.00 C ATOM 562 CE LYS A 42 -3.256 -2.510 -10.721 1.00 0.00 C ATOM 563 NZ LYS A 42 -3.943 -3.148 -9.564 1.00 0.00 N ATOM 0 H LYS A 42 0.614 -5.956 -13.657 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.299 -3.295 -13.288 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.862 -5.559 -12.068 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.525 -5.176 -11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.310 -4.306 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.586 -2.901 -10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.251 -3.120 -12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.015 -4.433 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.602 -1.715 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.996 -2.044 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.960 -2.936 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.802 -4.178 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.547 -2.776 -8.677 1.00 0.00 H new ATOM 577 N ASN A 43 2.668 -4.035 -12.011 1.00 0.00 N ATOM 578 CA ASN A 43 3.918 -3.448 -11.542 1.00 0.00 C ATOM 579 C ASN A 43 4.513 -2.521 -12.598 1.00 0.00 C ATOM 580 O ASN A 43 4.877 -1.383 -12.305 1.00 0.00 O ATOM 581 CB ASN A 43 4.921 -4.548 -11.188 1.00 0.00 C ATOM 582 CG ASN A 43 6.358 -4.086 -11.331 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.850 -4.057 -12.564 1.00 0.00 O flip ATOM 584 ND2 ASN A 43 7.018 -3.760 -10.344 1.00 0.00 N flip ATOM 0 H ASN A 43 2.653 -5.055 -12.004 1.00 0.00 H new ATOM 0 HA ASN A 43 3.703 -2.861 -10.649 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.748 -4.878 -10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.753 -5.410 -11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.599 -3.798 -9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.984 -3.452 -10.455 1.00 0.00 H new ATOM 591 N ASN A 44 4.609 -3.018 -13.827 1.00 0.00 N ATOM 592 CA ASN A 44 5.160 -2.235 -14.927 1.00 0.00 C ATOM 593 C ASN A 44 4.403 -0.921 -15.092 1.00 0.00 C ATOM 594 O ASN A 44 5.003 0.153 -15.134 1.00 0.00 O ATOM 595 CB ASN A 44 5.105 -3.036 -16.229 1.00 0.00 C ATOM 596 CG ASN A 44 6.174 -4.109 -16.293 1.00 0.00 C ATOM 597 OD1 ASN A 44 7.234 -3.983 -15.681 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.899 -5.174 -17.039 1.00 0.00 N ATOM 0 H ASN A 44 4.312 -3.959 -14.086 1.00 0.00 H new ATOM 0 HA ASN A 44 6.200 -2.007 -14.693 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.123 -3.499 -16.326 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.223 -2.358 -17.075 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.580 -5.929 -17.121 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.007 -5.237 -17.529 1.00 0.00 H new ATOM 605 N PHE A 45 3.081 -1.014 -15.185 1.00 0.00 N ATOM 606 CA PHE A 45 2.240 0.167 -15.346 1.00 0.00 C ATOM 607 C PHE A 45 2.694 1.288 -14.416 1.00 0.00 C ATOM 608 O PHE A 45 2.936 2.413 -14.854 1.00 0.00 O ATOM 609 CB PHE A 45 0.776 -0.181 -15.068 1.00 0.00 C ATOM 610 CG PHE A 45 -0.083 1.019 -14.793 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.409 1.902 -15.809 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.565 1.265 -13.517 1.00 0.00 C ATOM 613 CE1 PHE A 45 -1.200 3.008 -15.560 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.357 2.369 -13.261 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.674 3.242 -14.283 1.00 0.00 C ATOM 0 H PHE A 45 2.568 -1.895 -15.152 1.00 0.00 H new ATOM 0 HA PHE A 45 2.334 0.512 -16.376 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.370 -0.720 -15.924 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.727 -0.856 -14.214 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.041 1.724 -16.809 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.319 0.587 -12.713 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.447 3.688 -16.362 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.727 2.548 -12.263 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.291 4.106 -14.085 1.00 0.00 H new ATOM 625 N TYR A 46 2.805 0.973 -13.130 1.00 0.00 N ATOM 626 CA TYR A 46 3.227 1.954 -12.137 1.00 0.00 C ATOM 627 C TYR A 46 4.688 2.343 -12.341 1.00 0.00 C ATOM 628 O TYR A 46 5.031 3.525 -12.351 1.00 0.00 O ATOM 629 CB TYR A 46 3.028 1.399 -10.726 1.00 0.00 C ATOM 630 CG TYR A 46 1.576 1.203 -10.351 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.665 2.247 -10.451 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.115 -0.028 -9.899 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.662 2.072 -10.109 1.00 0.00 C ATOM 634 CE2 TYR A 46 -0.211 -0.212 -9.556 1.00 0.00 C ATOM 635 CZ TYR A 46 -1.095 0.841 -9.663 1.00 0.00 C ATOM 636 OH TYR A 46 -2.417 0.663 -9.323 1.00 0.00 O ATOM 0 H TYR A 46 2.609 0.047 -12.751 1.00 0.00 H new ATOM 0 HA TYR A 46 2.612 2.846 -12.260 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.548 0.444 -10.644 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.491 2.077 -10.009 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.000 3.212 -10.802 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.805 -0.855 -9.814 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.357 2.895 -10.190 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.553 -1.175 -9.206 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.899 0.268 -10.079 1.00 0.00 H new ATOM 646 N SER A 47 5.543 1.339 -12.504 1.00 0.00 N ATOM 647 CA SER A 47 6.968 1.575 -12.705 1.00 0.00 C ATOM 648 C SER A 47 7.199 2.830 -13.541 1.00 0.00 C ATOM 649 O SER A 47 8.070 3.643 -13.232 1.00 0.00 O ATOM 650 CB SER A 47 7.615 0.368 -13.388 1.00 0.00 C ATOM 651 OG SER A 47 7.678 0.549 -14.792 1.00 0.00 O ATOM 0 H SER A 47 5.274 0.355 -12.501 1.00 0.00 H new ATOM 0 HA SER A 47 7.428 1.721 -11.728 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.619 0.218 -12.992 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.044 -0.532 -13.160 1.00 0.00 H new ATOM 0 HG SER A 47 6.782 0.448 -15.175 1.00 0.00 H new ATOM 657 N SER A 48 6.411 2.981 -14.601 1.00 0.00 N ATOM 658 CA SER A 48 6.531 4.134 -15.484 1.00 0.00 C ATOM 659 C SER A 48 6.301 5.433 -14.717 1.00 0.00 C ATOM 660 O SER A 48 7.220 6.232 -14.538 1.00 0.00 O ATOM 661 CB SER A 48 5.532 4.026 -16.637 1.00 0.00 C ATOM 662 OG SER A 48 6.013 3.160 -17.650 1.00 0.00 O ATOM 0 H SER A 48 5.683 2.319 -14.869 1.00 0.00 H new ATOM 0 HA SER A 48 7.543 4.146 -15.889 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.578 3.657 -16.262 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.348 5.015 -17.057 1.00 0.00 H new ATOM 0 HG SER A 48 5.355 3.107 -18.375 1.00 0.00 H new ATOM 668 N ILE A 49 5.068 5.635 -14.266 1.00 0.00 N ATOM 669 CA ILE A 49 4.716 6.835 -13.516 1.00 0.00 C ATOM 670 C ILE A 49 5.539 6.946 -12.237 1.00 0.00 C ATOM 671 O ILE A 49 5.625 8.014 -11.632 1.00 0.00 O ATOM 672 CB ILE A 49 3.220 6.854 -13.154 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.914 5.788 -12.100 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.370 6.636 -14.397 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.545 5.932 -11.473 1.00 0.00 C ATOM 0 H ILE A 49 4.296 4.984 -14.407 1.00 0.00 H new ATOM 0 HA ILE A 49 4.936 7.686 -14.161 1.00 0.00 H new ATOM 0 HB ILE A 49 2.976 7.831 -12.738 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.992 4.802 -12.559 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.670 5.836 -11.316 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.315 6.652 -14.124 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.570 7.428 -15.118 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.615 5.671 -14.841 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.398 5.143 -10.736 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.469 6.903 -10.985 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.781 5.854 -12.246 1.00 0.00 H new ATOM 687 N ALA A 50 6.145 5.834 -11.832 1.00 0.00 N ATOM 688 CA ALA A 50 6.965 5.807 -10.628 1.00 0.00 C ATOM 689 C ALA A 50 8.408 6.190 -10.937 1.00 0.00 C ATOM 690 O ALA A 50 9.325 5.848 -10.190 1.00 0.00 O ATOM 691 CB ALA A 50 6.909 4.430 -9.983 1.00 0.00 C ATOM 0 H ALA A 50 6.083 4.941 -12.320 1.00 0.00 H new ATOM 0 HA ALA A 50 6.564 6.541 -9.929 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.526 4.424 -9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.879 4.194 -9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.282 3.684 -10.685 1.00 0.00 H new ATOM 697 N ALA A 51 8.603 6.901 -12.043 1.00 0.00 N ATOM 698 CA ALA A 51 9.935 7.332 -12.449 1.00 0.00 C ATOM 699 C ALA A 51 10.641 8.074 -11.320 1.00 0.00 C ATOM 700 O ALA A 51 10.483 9.284 -11.165 1.00 0.00 O ATOM 701 CB ALA A 51 9.849 8.211 -13.688 1.00 0.00 C ATOM 0 H ALA A 51 7.855 7.191 -12.674 1.00 0.00 H new ATOM 0 HA ALA A 51 10.521 6.444 -12.686 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.851 8.526 -13.981 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.393 7.648 -14.503 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.242 9.089 -13.470 1.00 0.00 H new ATOM 707 N ASN A 52 11.420 7.339 -10.532 1.00 0.00 N ATOM 708 CA ASN A 52 12.149 7.928 -9.415 1.00 0.00 C ATOM 709 C ASN A 52 11.190 8.398 -8.326 1.00 0.00 C ATOM 710 O ASN A 52 11.427 9.412 -7.668 1.00 0.00 O ATOM 711 CB ASN A 52 13.004 9.102 -9.899 1.00 0.00 C ATOM 712 CG ASN A 52 13.617 8.847 -11.262 1.00 0.00 C ATOM 713 OD1 ASN A 52 14.228 7.804 -11.495 1.00 0.00 O ATOM 714 ND2 ASN A 52 13.456 9.802 -12.171 1.00 0.00 N ATOM 0 H ASN A 52 11.562 6.335 -10.647 1.00 0.00 H new ATOM 0 HA ASN A 52 12.800 7.162 -8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.390 10.002 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.798 9.292 -9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.846 9.687 -13.106 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.942 10.650 -11.934 1.00 0.00 H new ATOM 721 N THR A 53 10.104 7.654 -8.139 1.00 0.00 N ATOM 722 CA THR A 53 9.108 7.994 -7.131 1.00 0.00 C ATOM 723 C THR A 53 8.805 6.800 -6.233 1.00 0.00 C ATOM 724 O THR A 53 8.529 5.703 -6.717 1.00 0.00 O ATOM 725 CB THR A 53 7.798 8.481 -7.778 1.00 0.00 C ATOM 726 OG1 THR A 53 8.069 9.555 -8.685 1.00 0.00 O ATOM 727 CG2 THR A 53 6.811 8.944 -6.717 1.00 0.00 C ATOM 0 H THR A 53 9.892 6.811 -8.673 1.00 0.00 H new ATOM 0 HA THR A 53 9.529 8.800 -6.530 1.00 0.00 H new ATOM 0 HB THR A 53 7.357 7.648 -8.324 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.231 9.858 -9.093 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.893 9.284 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.584 8.116 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.247 9.764 -6.147 1.00 0.00 H new ATOM 735 N GLN A 54 8.858 7.022 -4.924 1.00 0.00 N ATOM 736 CA GLN A 54 8.589 5.962 -3.959 1.00 0.00 C ATOM 737 C GLN A 54 7.244 6.180 -3.272 1.00 0.00 C ATOM 738 O GLN A 54 7.063 7.147 -2.532 1.00 0.00 O ATOM 739 CB GLN A 54 9.704 5.899 -2.914 1.00 0.00 C ATOM 740 CG GLN A 54 11.080 5.642 -3.507 1.00 0.00 C ATOM 741 CD GLN A 54 12.179 5.667 -2.464 1.00 0.00 C ATOM 742 OE1 GLN A 54 11.979 6.140 -1.345 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.350 5.154 -2.825 1.00 0.00 N ATOM 0 H GLN A 54 9.084 7.925 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 54 8.552 5.015 -4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.726 6.838 -2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.474 5.111 -2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.081 4.673 -4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.290 6.394 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.472 4.772 -3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.127 5.142 -2.164 1.00 0.00 H new ATOM 752 N PHE A 55 6.304 5.275 -3.522 1.00 0.00 N ATOM 753 CA PHE A 55 4.975 5.370 -2.929 1.00 0.00 C ATOM 754 C PHE A 55 4.598 4.067 -2.230 1.00 0.00 C ATOM 755 O PHE A 55 5.217 3.027 -2.456 1.00 0.00 O ATOM 756 CB PHE A 55 3.937 5.705 -4.002 1.00 0.00 C ATOM 757 CG PHE A 55 3.901 4.715 -5.131 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.956 4.624 -6.025 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.812 3.875 -5.298 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.924 3.714 -7.065 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.774 2.963 -6.336 1.00 0.00 C ATOM 762 CZ PHE A 55 3.833 2.882 -7.220 1.00 0.00 C ATOM 0 H PHE A 55 6.438 4.468 -4.131 1.00 0.00 H new ATOM 0 HA PHE A 55 4.991 6.169 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.951 5.753 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.149 6.696 -4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.813 5.271 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.983 3.933 -4.609 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.752 3.654 -7.756 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.918 2.315 -6.456 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.807 2.169 -8.031 1.00 0.00 H new ATOM 772 N TRP A 56 3.579 4.132 -1.381 1.00 0.00 N ATOM 773 CA TRP A 56 3.119 2.958 -0.648 1.00 0.00 C ATOM 774 C TRP A 56 2.243 2.074 -1.530 1.00 0.00 C ATOM 775 O TRP A 56 1.734 2.519 -2.558 1.00 0.00 O ATOM 776 CB TRP A 56 2.344 3.382 0.600 1.00 0.00 C ATOM 777 CG TRP A 56 3.185 4.113 1.602 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.102 5.436 1.933 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.238 3.564 2.402 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.040 5.741 2.889 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.749 4.610 3.195 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.798 2.289 2.526 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.792 4.419 4.097 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.833 2.101 3.422 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.321 3.161 4.198 1.00 0.00 C ATOM 0 H TRP A 56 3.056 4.985 -1.183 1.00 0.00 H new ATOM 0 HA TRP A 56 3.994 2.383 -0.346 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.511 4.018 0.303 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.917 2.497 1.072 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.402 6.139 1.506 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.185 6.661 3.304 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.428 1.466 1.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.170 5.234 4.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.273 1.120 3.526 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.131 2.981 4.890 1.00 0.00 H new ATOM 796 N ILE A 57 2.073 0.822 -1.120 1.00 0.00 N ATOM 797 CA ILE A 57 1.257 -0.123 -1.873 1.00 0.00 C ATOM 798 C ILE A 57 0.379 -0.954 -0.944 1.00 0.00 C ATOM 799 O ILE A 57 0.459 -0.831 0.278 1.00 0.00 O ATOM 800 CB ILE A 57 2.128 -1.069 -2.720 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.080 -1.862 -1.822 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.908 -0.280 -3.762 1.00 0.00 C ATOM 803 CD1 ILE A 57 4.096 -2.679 -2.590 1.00 0.00 C ATOM 0 H ILE A 57 2.489 0.438 -0.271 1.00 0.00 H new ATOM 0 HA ILE A 57 0.624 0.466 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 57 1.476 -1.773 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.605 -1.171 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.497 -2.528 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.519 -0.962 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.212 0.244 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.552 0.444 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.737 -3.214 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.579 -3.395 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.705 -2.017 -3.206 1.00 0.00 H new ATOM 815 N GLY A 58 -0.458 -1.803 -1.532 1.00 0.00 N ATOM 816 CA GLY A 58 -1.338 -2.644 -0.742 1.00 0.00 C ATOM 817 C GLY A 58 -0.577 -3.637 0.115 1.00 0.00 C ATOM 818 O GLY A 58 -1.060 -4.061 1.165 1.00 0.00 O ATOM 0 H GLY A 58 -0.542 -1.923 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.957 -2.016 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.012 -3.184 -1.407 1.00 0.00 H new ATOM 822 N LEU A 59 0.617 -4.009 -0.334 1.00 0.00 N ATOM 823 CA LEU A 59 1.447 -4.960 0.397 1.00 0.00 C ATOM 824 C LEU A 59 1.840 -4.402 1.761 1.00 0.00 C ATOM 825 O LEU A 59 2.503 -3.369 1.854 1.00 0.00 O ATOM 826 CB LEU A 59 2.702 -5.298 -0.409 1.00 0.00 C ATOM 827 CG LEU A 59 3.439 -6.574 0.000 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.543 -7.789 -0.180 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.721 -6.730 -0.806 1.00 0.00 C ATOM 0 H LEU A 59 1.032 -3.667 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 59 0.866 -5.869 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.423 -5.384 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.396 -4.461 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 59 3.703 -6.497 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.085 -8.687 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.654 -7.680 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.248 -7.871 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.233 -7.643 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.479 -6.786 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.370 -5.873 -0.626 1.00 0.00 H new ATOM 841 N PHE A 60 1.429 -5.094 2.819 1.00 0.00 N ATOM 842 CA PHE A 60 1.740 -4.669 4.179 1.00 0.00 C ATOM 843 C PHE A 60 1.874 -5.872 5.108 1.00 0.00 C ATOM 844 O PHE A 60 1.094 -6.821 5.031 1.00 0.00 O ATOM 845 CB PHE A 60 0.654 -3.726 4.701 1.00 0.00 C ATOM 846 CG PHE A 60 -0.627 -4.426 5.058 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.714 -5.197 6.205 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.743 -4.311 4.245 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.891 -5.843 6.535 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.923 -4.953 4.570 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.997 -5.719 5.717 1.00 0.00 C ATOM 0 H PHE A 60 0.880 -5.952 2.761 1.00 0.00 H new ATOM 0 HA PHE A 60 2.693 -4.140 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.030 -3.203 5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.447 -2.969 3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.147 -5.295 6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.690 -3.713 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.946 -6.444 7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.786 -4.856 3.928 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.918 -6.220 5.974 1.00 0.00 H new ATOM 861 N LYS A 61 2.871 -5.826 5.985 1.00 0.00 N ATOM 862 CA LYS A 61 3.110 -6.910 6.930 1.00 0.00 C ATOM 863 C LYS A 61 2.073 -6.895 8.049 1.00 0.00 C ATOM 864 O LYS A 61 1.748 -5.840 8.592 1.00 0.00 O ATOM 865 CB LYS A 61 4.517 -6.797 7.522 1.00 0.00 C ATOM 866 CG LYS A 61 4.828 -7.863 8.559 1.00 0.00 C ATOM 867 CD LYS A 61 6.302 -7.870 8.927 1.00 0.00 C ATOM 868 CE LYS A 61 7.117 -8.700 7.947 1.00 0.00 C ATOM 869 NZ LYS A 61 8.581 -8.533 8.162 1.00 0.00 N ATOM 0 H LYS A 61 3.527 -5.049 6.061 1.00 0.00 H new ATOM 0 HA LYS A 61 3.024 -7.854 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.248 -6.862 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.632 -5.814 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.230 -7.688 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.544 -8.842 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.679 -6.848 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.425 -8.269 9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.852 -9.752 8.054 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.864 -8.410 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.101 -9.115 7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.839 -7.533 8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.827 -8.834 9.127 1.00 0.00 H new ATOM 883 N ASN A 62 1.559 -8.072 8.389 1.00 0.00 N ATOM 884 CA ASN A 62 0.560 -8.194 9.444 1.00 0.00 C ATOM 885 C ASN A 62 1.222 -8.461 10.792 1.00 0.00 C ATOM 886 O ASN A 62 2.446 -8.541 10.889 1.00 0.00 O ATOM 887 CB ASN A 62 -0.425 -9.318 9.115 1.00 0.00 C ATOM 888 CG ASN A 62 -1.803 -9.067 9.696 1.00 0.00 C ATOM 889 OD1 ASN A 62 -2.034 -9.273 10.888 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.728 -8.620 8.854 1.00 0.00 N ATOM 0 H ASN A 62 1.818 -8.955 7.949 1.00 0.00 H new ATOM 0 HA ASN A 62 0.017 -7.251 9.507 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.504 -9.424 8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.038 -10.261 9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.674 -8.433 9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.493 -8.463 7.874 1.00 0.00 H new ATOM 897 N SER A 63 0.403 -8.598 11.831 1.00 0.00 N ATOM 898 CA SER A 63 0.909 -8.853 13.174 1.00 0.00 C ATOM 899 C SER A 63 1.756 -10.122 13.204 1.00 0.00 C ATOM 900 O SER A 63 2.900 -10.107 13.659 1.00 0.00 O ATOM 901 CB SER A 63 -0.251 -8.977 14.164 1.00 0.00 C ATOM 902 OG SER A 63 0.221 -9.029 15.499 1.00 0.00 O ATOM 0 H SER A 63 -0.613 -8.537 11.768 1.00 0.00 H new ATOM 0 HA SER A 63 1.537 -8.011 13.465 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.926 -8.129 14.046 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.827 -9.876 13.943 1.00 0.00 H new ATOM 0 HG SER A 63 -0.540 -9.106 16.112 1.00 0.00 H new ATOM 908 N ASP A 64 1.185 -11.218 12.717 1.00 0.00 N ATOM 909 CA ASP A 64 1.887 -12.496 12.687 1.00 0.00 C ATOM 910 C ASP A 64 3.280 -12.337 12.086 1.00 0.00 C ATOM 911 O ASP A 64 4.273 -12.764 12.674 1.00 0.00 O ATOM 912 CB ASP A 64 1.086 -13.522 11.883 1.00 0.00 C ATOM 913 CG ASP A 64 1.464 -13.531 10.415 1.00 0.00 C ATOM 914 OD1 ASP A 64 2.611 -13.910 10.100 1.00 0.00 O ATOM 915 OD2 ASP A 64 0.611 -13.160 9.582 1.00 0.00 O ATOM 0 H ASP A 64 0.239 -11.247 12.338 1.00 0.00 H new ATOM 0 HA ASP A 64 1.992 -12.850 13.713 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.248 -14.515 12.303 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.022 -13.305 11.980 1.00 0.00 H new ATOM 920 N GLY A 65 3.346 -11.720 10.910 1.00 0.00 N ATOM 921 CA GLY A 65 4.622 -11.517 10.249 1.00 0.00 C ATOM 922 C GLY A 65 4.542 -11.746 8.753 1.00 0.00 C ATOM 923 O GLY A 65 5.531 -11.576 8.040 1.00 0.00 O ATOM 0 H GLY A 65 2.539 -11.357 10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.969 -10.502 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.362 -12.193 10.678 1.00 0.00 H new ATOM 927 N GLN A 66 3.364 -12.133 8.277 1.00 0.00 N ATOM 928 CA GLN A 66 3.161 -12.387 6.855 1.00 0.00 C ATOM 929 C GLN A 66 2.788 -11.104 6.120 1.00 0.00 C ATOM 930 O GLN A 66 2.443 -10.099 6.741 1.00 0.00 O ATOM 931 CB GLN A 66 2.069 -13.439 6.655 1.00 0.00 C ATOM 932 CG GLN A 66 2.440 -14.812 7.193 1.00 0.00 C ATOM 933 CD GLN A 66 1.824 -15.940 6.389 1.00 0.00 C ATOM 934 OE1 GLN A 66 0.813 -16.521 6.787 1.00 0.00 O ATOM 935 NE2 GLN A 66 2.430 -16.256 5.251 1.00 0.00 N ATOM 0 H GLN A 66 2.536 -12.278 8.854 1.00 0.00 H new ATOM 0 HA GLN A 66 4.097 -12.761 6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.156 -13.101 7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.847 -13.523 5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.525 -14.919 7.189 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.116 -14.891 8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.265 -15.748 4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.060 -17.007 4.668 1.00 0.00 H new ATOM 944 N PHE A 67 2.860 -11.145 4.794 1.00 0.00 N ATOM 945 CA PHE A 67 2.532 -9.985 3.974 1.00 0.00 C ATOM 946 C PHE A 67 1.175 -10.163 3.299 1.00 0.00 C ATOM 947 O PHE A 67 0.986 -11.073 2.492 1.00 0.00 O ATOM 948 CB PHE A 67 3.615 -9.759 2.917 1.00 0.00 C ATOM 949 CG PHE A 67 4.888 -9.191 3.475 1.00 0.00 C ATOM 950 CD1 PHE A 67 5.004 -7.835 3.732 1.00 0.00 C ATOM 951 CD2 PHE A 67 5.970 -10.015 3.743 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.175 -7.310 4.245 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.144 -9.496 4.256 1.00 0.00 C ATOM 954 CZ PHE A 67 7.246 -8.142 4.508 1.00 0.00 C ATOM 0 H PHE A 67 3.143 -11.969 4.264 1.00 0.00 H new ATOM 0 HA PHE A 67 2.482 -9.112 4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.834 -10.707 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.230 -9.084 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.170 -7.180 3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.895 -11.075 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.253 -6.251 4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.980 -10.148 4.459 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.162 -7.734 4.910 1.00 0.00 H new ATOM 964 N TYR A 68 0.235 -9.288 3.636 1.00 0.00 N ATOM 965 CA TYR A 68 -1.106 -9.349 3.066 1.00 0.00 C ATOM 966 C TYR A 68 -1.305 -8.252 2.024 1.00 0.00 C ATOM 967 O TYR A 68 -0.398 -7.464 1.755 1.00 0.00 O ATOM 968 CB TYR A 68 -2.158 -9.218 4.168 1.00 0.00 C ATOM 969 CG TYR A 68 -2.106 -10.330 5.191 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.999 -10.490 6.016 1.00 0.00 C ATOM 971 CD2 TYR A 68 -3.163 -11.220 5.333 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.947 -11.506 6.951 1.00 0.00 C ATOM 973 CE2 TYR A 68 -3.120 -12.238 6.267 1.00 0.00 C ATOM 974 CZ TYR A 68 -2.009 -12.377 7.073 1.00 0.00 C ATOM 975 OH TYR A 68 -1.961 -13.388 8.004 1.00 0.00 O ATOM 0 H TYR A 68 0.376 -8.528 4.301 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.222 -10.316 2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.023 -8.263 4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.148 -9.201 3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.166 -9.809 5.925 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.034 -11.115 4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.079 -11.617 7.583 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.951 -12.921 6.365 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.137 -13.311 8.529 1.00 0.00 H new ATOM 985 N TRP A 69 -2.498 -8.208 1.443 1.00 0.00 N ATOM 986 CA TRP A 69 -2.818 -7.207 0.430 1.00 0.00 C ATOM 987 C TRP A 69 -4.008 -6.357 0.863 1.00 0.00 C ATOM 988 O TRP A 69 -5.135 -6.845 0.943 1.00 0.00 O ATOM 989 CB TRP A 69 -3.119 -7.884 -0.908 1.00 0.00 C ATOM 990 CG TRP A 69 -1.891 -8.366 -1.619 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.509 -9.664 -1.807 1.00 0.00 C ATOM 992 CD2 TRP A 69 -0.884 -7.556 -2.234 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.325 -9.709 -2.502 1.00 0.00 N ATOM 994 CE2 TRP A 69 0.079 -8.430 -2.777 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.702 -6.179 -2.382 1.00 0.00 C ATOM 996 CZ2 TRP A 69 1.205 -7.968 -3.454 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.416 -5.722 -3.054 1.00 0.00 C ATOM 998 CH2 TRP A 69 1.357 -6.614 -3.583 1.00 0.00 C ATOM 0 H TRP A 69 -3.260 -8.853 1.655 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.953 -6.555 0.312 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -3.787 -8.729 -0.738 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.650 -7.182 -1.551 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.057 -10.528 -1.460 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.173 -10.558 -2.770 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.423 -5.483 -1.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.932 -8.654 -3.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.566 -4.659 -3.173 1.00 0.00 H new ATOM 0 HH2 TRP A 69 2.220 -6.226 -4.103 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.750 -5.084 1.140 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.800 -4.165 1.562 1.00 0.00 C ATOM 1011 C ASP A 70 -5.918 -4.104 0.527 1.00 0.00 C ATOM 1012 O ASP A 70 -5.734 -3.575 -0.570 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.223 -2.767 1.791 1.00 0.00 C ATOM 1014 CG ASP A 70 -5.009 -1.977 2.819 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -5.615 -2.605 3.712 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -5.018 -0.731 2.730 1.00 0.00 O ATOM 0 H ASP A 70 -2.822 -4.665 1.080 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.217 -4.535 2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.187 -2.854 2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.214 -2.222 0.847 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.077 -4.651 0.881 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.224 -4.661 -0.019 1.00 0.00 C ATOM 1023 C ARG A 71 -9.296 -3.685 0.457 1.00 0.00 C ATOM 1024 O ARG A 71 -10.488 -3.903 0.241 1.00 0.00 O ATOM 1025 CB ARG A 71 -8.810 -6.071 -0.117 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.044 -6.984 -1.060 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.583 -6.897 -2.480 1.00 0.00 C ATOM 1028 NE ARG A 71 -7.844 -7.757 -3.400 1.00 0.00 N ATOM 1029 CZ ARG A 71 -7.878 -7.622 -4.721 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -8.611 -6.665 -5.273 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -7.178 -8.445 -5.491 1.00 0.00 N ATOM 0 H ARG A 71 -7.246 -5.093 1.785 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.883 -4.347 -1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.825 -6.519 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.845 -6.003 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.988 -6.713 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.111 -8.013 -0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.636 -7.180 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.528 -5.865 -2.826 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.270 -8.503 -3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.150 -6.031 -4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.636 -6.563 -6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.613 -9.182 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.205 -8.341 -6.505 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.864 -2.608 1.106 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.799 -1.616 1.602 1.00 0.00 C ATOM 1047 C GLY A 72 -9.890 -1.611 3.115 1.00 0.00 C ATOM 1048 O GLY A 72 -9.195 -2.372 3.787 1.00 0.00 O ATOM 0 H GLY A 72 -7.883 -2.405 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.494 -0.628 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.786 -1.810 1.182 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.749 -0.750 3.652 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.926 -0.648 5.096 1.00 0.00 C ATOM 1054 C GLN A 73 -11.912 -1.698 5.598 1.00 0.00 C ATOM 1055 O GLN A 73 -13.070 -1.726 5.183 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.416 0.751 5.473 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.457 0.997 6.973 1.00 0.00 C ATOM 1058 CD GLN A 73 -12.049 2.347 7.326 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -11.329 3.336 7.467 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -13.368 2.395 7.472 1.00 0.00 N ATOM 0 H GLN A 73 -11.333 -0.114 3.109 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.961 -0.827 5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.765 1.492 5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.414 0.901 5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.043 0.211 7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.446 0.931 7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.926 1.551 7.346 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.823 3.276 7.710 1.00 0.00 H new ATOM 1069 N GLY A 74 -11.444 -2.561 6.495 1.00 0.00 N ATOM 1070 CA GLY A 74 -12.297 -3.601 7.040 1.00 0.00 C ATOM 1071 C GLY A 74 -12.293 -4.857 6.191 1.00 0.00 C ATOM 1072 O GLY A 74 -12.316 -5.970 6.717 1.00 0.00 O ATOM 0 H GLY A 74 -10.489 -2.558 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.966 -3.847 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.317 -3.225 7.122 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.267 -4.679 4.874 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.261 -5.807 3.952 1.00 0.00 C ATOM 1078 C ILE A 75 -11.192 -6.825 4.334 1.00 0.00 C ATOM 1079 O ILE A 75 -10.086 -6.459 4.729 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.021 -5.348 2.502 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.031 -4.265 2.113 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.111 -6.530 1.549 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.470 -4.721 2.206 1.00 0.00 C ATOM 0 H ILE A 75 -12.250 -3.765 4.422 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.244 -6.273 4.019 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.018 -4.926 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.890 -3.399 2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.827 -3.938 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.939 -6.188 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.357 -7.271 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.102 -6.979 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.130 -3.903 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.627 -5.568 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.691 -5.020 3.230 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.531 -8.105 4.213 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.599 -9.176 4.545 1.00 0.00 C ATOM 1097 C ASN A 76 -9.347 -9.097 3.677 1.00 0.00 C ATOM 1098 O ASN A 76 -9.410 -9.132 2.448 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.271 -10.539 4.365 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.535 -10.673 5.193 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -13.656 -10.226 4.637 1.00 0.00 O flip ATOM 1102 ND2 ASN A 76 -12.505 -11.173 6.317 1.00 0.00 N flip ATOM 0 H ASN A 76 -12.443 -8.425 3.888 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.305 -9.057 5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.512 -10.686 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.571 -11.326 4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.621 -11.503 6.705 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.364 -11.257 6.861 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.180 -8.988 4.330 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.891 -8.902 3.638 1.00 0.00 C ATOM 1111 C PRO A 77 -6.504 -10.216 2.967 1.00 0.00 C ATOM 1112 O PRO A 77 -6.724 -11.294 3.519 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.907 -8.566 4.761 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.548 -9.095 5.997 1.00 0.00 C ATOM 1115 CD PRO A 77 -8.030 -8.940 5.794 1.00 0.00 C ATOM 0 HA PRO A 77 -6.909 -8.166 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.936 -9.030 4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.738 -7.491 4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.283 -10.140 6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.215 -8.543 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.588 -9.739 6.282 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.396 -7.999 6.205 1.00 0.00 H new ATOM 1123 N ASP A 78 -5.927 -10.118 1.774 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.509 -11.300 1.029 1.00 0.00 C ATOM 1125 C ASP A 78 -4.041 -11.618 1.295 1.00 0.00 C ATOM 1126 O ASP A 78 -3.168 -10.767 1.120 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.735 -11.090 -0.469 1.00 0.00 C ATOM 1128 CG ASP A 78 -7.201 -11.150 -0.848 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -7.942 -10.204 -0.508 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -7.609 -12.144 -1.485 1.00 0.00 O ATOM 0 H ASP A 78 -5.738 -9.233 1.303 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.112 -12.144 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.326 -10.123 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.187 -11.850 -1.026 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.776 -12.849 1.719 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.413 -13.280 2.011 1.00 0.00 C ATOM 1137 C LEU A 79 -1.593 -13.398 0.730 1.00 0.00 C ATOM 1138 O LEU A 79 -2.056 -13.955 -0.267 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.428 -14.622 2.746 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.180 -14.953 3.564 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.051 -15.411 2.654 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.748 -13.749 4.389 1.00 0.00 C ATOM 0 H LEU A 79 -4.486 -13.566 1.868 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.949 -12.528 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.290 -14.639 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.577 -15.414 2.012 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.422 -15.768 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.829 -15.642 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.362 -16.302 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.191 -14.618 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.142 -14.003 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.524 -12.914 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.552 -13.466 5.069 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.373 -12.873 0.764 1.00 0.00 N ATOM 1155 CA LEU A 80 0.513 -12.921 -0.393 1.00 0.00 C ATOM 1156 C LEU A 80 0.994 -14.346 -0.652 1.00 0.00 C ATOM 1157 O LEU A 80 1.972 -14.798 -0.059 1.00 0.00 O ATOM 1158 CB LEU A 80 1.713 -11.997 -0.181 1.00 0.00 C ATOM 1159 CG LEU A 80 2.843 -12.118 -1.203 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.583 -11.213 -2.397 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.182 -11.784 -0.560 1.00 0.00 C ATOM 0 H LEU A 80 0.025 -12.409 1.581 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.049 -12.582 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.357 -10.967 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.124 -12.190 0.810 1.00 0.00 H new ATOM 0 HG LEU A 80 2.879 -13.149 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.398 -11.313 -3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.645 -11.499 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.519 -10.178 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.975 -11.875 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.158 -10.763 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.373 -12.474 0.262 1.00 0.00 H new ATOM 1173 N ASN A 81 0.300 -15.046 -1.543 1.00 0.00 N ATOM 1174 CA ASN A 81 0.658 -16.419 -1.882 1.00 0.00 C ATOM 1175 C ASN A 81 0.864 -16.572 -3.386 1.00 0.00 C ATOM 1176 O ASN A 81 0.395 -17.535 -3.992 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.429 -17.384 -1.405 1.00 0.00 C ATOM 1178 CG ASN A 81 0.109 -18.777 -1.142 1.00 0.00 C ATOM 1179 OD1 ASN A 81 0.945 -18.976 -0.261 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -0.369 -19.750 -1.909 1.00 0.00 N ATOM 0 H ASN A 81 -0.513 -14.686 -2.043 1.00 0.00 H new ATOM 0 HA ASN A 81 1.594 -16.659 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.882 -16.994 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.218 -17.438 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.044 -20.708 -1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.062 -19.539 -2.628 1.00 0.00 H new ATOM 1187 N GLN A 82 1.569 -15.615 -3.982 1.00 0.00 N ATOM 1188 CA GLN A 82 1.838 -15.644 -5.414 1.00 0.00 C ATOM 1189 C GLN A 82 3.242 -16.167 -5.695 1.00 0.00 C ATOM 1190 O GLN A 82 4.184 -15.924 -4.940 1.00 0.00 O ATOM 1191 CB GLN A 82 1.672 -14.246 -6.014 1.00 0.00 C ATOM 1192 CG GLN A 82 2.581 -13.203 -5.384 1.00 0.00 C ATOM 1193 CD GLN A 82 2.190 -11.787 -5.758 1.00 0.00 C ATOM 1194 OE1 GLN A 82 1.048 -11.372 -5.557 1.00 0.00 O ATOM 1195 NE2 GLN A 82 3.138 -11.035 -6.305 1.00 0.00 N ATOM 0 H GLN A 82 1.964 -14.811 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 82 1.120 -16.319 -5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.873 -14.293 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.635 -13.930 -5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.553 -13.309 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.609 -13.386 -5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.071 -11.419 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.933 -10.073 -6.576 1.00 0.00 H new ATOM 1204 N PRO A 83 3.389 -16.905 -6.806 1.00 0.00 N ATOM 1205 CA PRO A 83 4.675 -17.478 -7.211 1.00 0.00 C ATOM 1206 C PRO A 83 5.666 -16.413 -7.670 1.00 0.00 C ATOM 1207 O PRO A 83 6.872 -16.542 -7.459 1.00 0.00 O ATOM 1208 CB PRO A 83 4.302 -18.399 -8.376 1.00 0.00 C ATOM 1209 CG PRO A 83 3.043 -17.823 -8.925 1.00 0.00 C ATOM 1210 CD PRO A 83 2.310 -17.236 -7.751 1.00 0.00 C ATOM 0 HA PRO A 83 5.170 -17.990 -6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.089 -18.422 -9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.154 -19.425 -8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.257 -17.060 -9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.444 -18.590 -9.415 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.739 -16.352 -8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.604 -17.947 -7.322 1.00 0.00 H new ATOM 1218 N ILE A 84 5.149 -15.362 -8.298 1.00 0.00 N ATOM 1219 CA ILE A 84 5.988 -14.275 -8.784 1.00 0.00 C ATOM 1220 C ILE A 84 6.034 -13.125 -7.783 1.00 0.00 C ATOM 1221 O ILE A 84 5.003 -12.699 -7.262 1.00 0.00 O ATOM 1222 CB ILE A 84 5.488 -13.741 -10.140 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.445 -14.868 -11.173 1.00 0.00 C ATOM 1224 CG2 ILE A 84 6.379 -12.606 -10.623 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.877 -14.443 -12.508 1.00 0.00 C ATOM 0 H ILE A 84 4.153 -15.241 -8.482 1.00 0.00 H new ATOM 0 HA ILE A 84 6.991 -14.683 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 84 4.477 -13.354 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.454 -15.252 -11.322 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.847 -15.689 -10.778 1.00 0.00 H new ATOM 0 HG21 ILE A 84 6.013 -12.239 -11.582 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.363 -11.795 -9.894 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.400 -12.969 -10.739 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.877 -15.293 -13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.856 -14.087 -12.372 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.488 -13.642 -12.925 1.00 0.00 H new ATOM 1237 N THR A 85 7.237 -12.625 -7.519 1.00 0.00 N ATOM 1238 CA THR A 85 7.418 -11.525 -6.581 1.00 0.00 C ATOM 1239 C THR A 85 8.425 -10.511 -7.111 1.00 0.00 C ATOM 1240 O THR A 85 9.167 -10.792 -8.053 1.00 0.00 O ATOM 1241 CB THR A 85 7.893 -12.031 -5.206 1.00 0.00 C ATOM 1242 OG1 THR A 85 9.034 -12.881 -5.364 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.782 -12.791 -4.496 1.00 0.00 C ATOM 0 H THR A 85 8.101 -12.965 -7.942 1.00 0.00 H new ATOM 0 HA THR A 85 6.446 -11.044 -6.467 1.00 0.00 H new ATOM 0 HB THR A 85 8.166 -11.167 -4.600 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.331 -13.197 -4.485 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.141 -13.139 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.926 -12.132 -4.351 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.483 -13.647 -5.101 1.00 0.00 H new ATOM 1251 N TYR A 86 8.447 -9.331 -6.501 1.00 0.00 N ATOM 1252 CA TYR A 86 9.362 -8.274 -6.914 1.00 0.00 C ATOM 1253 C TYR A 86 10.252 -7.840 -5.753 1.00 0.00 C ATOM 1254 O TYR A 86 10.830 -6.753 -5.772 1.00 0.00 O ATOM 1255 CB TYR A 86 8.580 -7.073 -7.448 1.00 0.00 C ATOM 1256 CG TYR A 86 7.548 -7.437 -8.491 1.00 0.00 C ATOM 1257 CD1 TYR A 86 7.931 -7.951 -9.724 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.192 -7.267 -8.245 1.00 0.00 C ATOM 1259 CE1 TYR A 86 6.992 -8.285 -10.681 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.246 -7.600 -9.195 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.651 -8.108 -10.412 1.00 0.00 C ATOM 1262 OH TYR A 86 4.712 -8.440 -11.361 1.00 0.00 O ATOM 0 H TYR A 86 7.841 -9.083 -5.719 1.00 0.00 H new ATOM 0 HA TYR A 86 9.997 -8.668 -7.708 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.083 -6.575 -6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.280 -6.356 -7.877 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.980 -8.092 -9.938 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.871 -6.867 -7.294 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.307 -8.683 -11.635 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.195 -7.463 -8.986 1.00 0.00 H new ATOM 0 HH TYR A 86 4.300 -7.624 -11.713 1.00 0.00 H new ATOM 1272 N TRP A 87 10.357 -8.698 -4.744 1.00 0.00 N ATOM 1273 CA TRP A 87 11.177 -8.404 -3.574 1.00 0.00 C ATOM 1274 C TRP A 87 12.575 -7.956 -3.987 1.00 0.00 C ATOM 1275 O TRP A 87 13.267 -8.655 -4.727 1.00 0.00 O ATOM 1276 CB TRP A 87 11.268 -9.634 -2.669 1.00 0.00 C ATOM 1277 CG TRP A 87 9.994 -9.929 -1.937 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.310 -11.111 -1.926 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.251 -9.026 -1.111 1.00 0.00 C ATOM 1280 NE1 TRP A 87 8.187 -10.997 -1.144 1.00 0.00 N ATOM 1281 CE2 TRP A 87 8.128 -9.728 -0.631 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.427 -7.693 -0.729 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 7.187 -9.140 0.209 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.491 -7.111 0.105 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.383 -7.834 0.567 1.00 0.00 C ATOM 0 H TRP A 87 9.885 -9.602 -4.713 1.00 0.00 H new ATOM 0 HA TRP A 87 10.704 -7.591 -3.024 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.541 -10.500 -3.272 1.00 0.00 H new ATOM 0 HB3 TRP A 87 12.069 -9.485 -1.945 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.608 -12.004 -2.455 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.507 -11.737 -0.973 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.279 -7.128 -1.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.332 -9.695 0.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.616 -6.081 0.406 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.670 -7.351 1.218 1.00 0.00 H new ATOM 1296 N ALA A 88 12.984 -6.788 -3.504 1.00 0.00 N ATOM 1297 CA ALA A 88 14.300 -6.249 -3.821 1.00 0.00 C ATOM 1298 C ALA A 88 15.407 -7.176 -3.329 1.00 0.00 C ATOM 1299 O ALA A 88 15.146 -8.144 -2.616 1.00 0.00 O ATOM 1300 CB ALA A 88 14.463 -4.863 -3.215 1.00 0.00 C ATOM 0 H ALA A 88 12.422 -6.197 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 88 14.381 -6.172 -4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.451 -4.473 -3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.700 -4.198 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.355 -4.924 -2.132 1.00 0.00 H new ATOM 1306 N ASN A 89 16.642 -6.874 -3.717 1.00 0.00 N ATOM 1307 CA ASN A 89 17.788 -7.682 -3.316 1.00 0.00 C ATOM 1308 C ASN A 89 17.885 -7.772 -1.796 1.00 0.00 C ATOM 1309 O ASN A 89 18.292 -6.820 -1.132 1.00 0.00 O ATOM 1310 CB ASN A 89 19.079 -7.092 -3.887 1.00 0.00 C ATOM 1311 CG ASN A 89 19.384 -7.608 -5.280 1.00 0.00 C ATOM 1312 OD1 ASN A 89 18.913 -8.675 -5.675 1.00 0.00 O ATOM 1313 ND2 ASN A 89 20.176 -6.851 -6.031 1.00 0.00 N ATOM 0 H ASN A 89 16.875 -6.076 -4.308 1.00 0.00 H new ATOM 0 HA ASN A 89 17.649 -8.687 -3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.997 -6.005 -3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.910 -7.332 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.417 -7.147 -6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.543 -5.974 -5.662 1.00 0.00 H new ATOM 1320 N GLY A 90 17.508 -8.925 -1.251 1.00 0.00 N ATOM 1321 CA GLY A 90 17.561 -9.118 0.186 1.00 0.00 C ATOM 1322 C GLY A 90 16.230 -8.843 0.857 1.00 0.00 C ATOM 1323 O GLY A 90 16.156 -8.736 2.081 1.00 0.00 O ATOM 0 H GLY A 90 17.167 -9.728 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.868 -10.141 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.321 -8.461 0.610 1.00 0.00 H new ATOM 1327 N GLU A 91 15.177 -8.727 0.054 1.00 0.00 N ATOM 1328 CA GLU A 91 13.843 -8.460 0.579 1.00 0.00 C ATOM 1329 C GLU A 91 12.984 -9.721 0.551 1.00 0.00 C ATOM 1330 O GLU A 91 13.200 -10.632 -0.249 1.00 0.00 O ATOM 1331 CB GLU A 91 13.165 -7.351 -0.228 1.00 0.00 C ATOM 1332 CG GLU A 91 13.502 -5.951 0.259 1.00 0.00 C ATOM 1333 CD GLU A 91 12.519 -5.443 1.296 1.00 0.00 C ATOM 1334 OE1 GLU A 91 11.306 -5.422 1.002 1.00 0.00 O ATOM 1335 OE2 GLU A 91 12.964 -5.065 2.400 1.00 0.00 O ATOM 0 H GLU A 91 15.222 -8.814 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 91 13.947 -8.135 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.458 -7.443 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.085 -7.491 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.506 -5.950 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.514 -5.268 -0.590 1.00 0.00 H new ATOM 1342 N PRO A 92 11.987 -9.777 1.446 1.00 0.00 N ATOM 1343 CA PRO A 92 11.721 -8.700 2.404 1.00 0.00 C ATOM 1344 C PRO A 92 12.804 -8.593 3.472 1.00 0.00 C ATOM 1345 O PRO A 92 13.448 -9.583 3.818 1.00 0.00 O ATOM 1346 CB PRO A 92 10.387 -9.107 3.034 1.00 0.00 C ATOM 1347 CG PRO A 92 10.331 -10.588 2.881 1.00 0.00 C ATOM 1348 CD PRO A 92 11.042 -10.898 1.593 1.00 0.00 C ATOM 0 HA PRO A 92 11.700 -7.722 1.922 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.340 -8.815 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.549 -8.625 2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.813 -11.086 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.299 -10.939 2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.559 -11.856 1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.348 -10.951 0.754 1.00 0.00 H new ATOM 1356 N SER A 93 13.000 -7.385 3.991 1.00 0.00 N ATOM 1357 CA SER A 93 14.008 -7.148 5.017 1.00 0.00 C ATOM 1358 C SER A 93 13.631 -7.847 6.320 1.00 0.00 C ATOM 1359 O SER A 93 12.453 -8.046 6.612 1.00 0.00 O ATOM 1360 CB SER A 93 14.176 -5.647 5.261 1.00 0.00 C ATOM 1361 OG SER A 93 15.492 -5.344 5.688 1.00 0.00 O ATOM 0 H SER A 93 12.474 -6.555 3.717 1.00 0.00 H new ATOM 0 HA SER A 93 14.954 -7.559 4.664 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.952 -5.099 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.461 -5.315 6.014 1.00 0.00 H new ATOM 0 HG SER A 93 15.574 -4.379 5.835 1.00 0.00 H new ATOM 1367 N ASN A 94 14.642 -8.217 7.100 1.00 0.00 N ATOM 1368 CA ASN A 94 14.418 -8.894 8.372 1.00 0.00 C ATOM 1369 C ASN A 94 14.528 -7.915 9.536 1.00 0.00 C ATOM 1370 O ASN A 94 15.056 -8.251 10.596 1.00 0.00 O ATOM 1371 CB ASN A 94 15.425 -10.032 8.551 1.00 0.00 C ATOM 1372 CG ASN A 94 14.965 -11.055 9.573 1.00 0.00 C ATOM 1373 OD1 ASN A 94 15.618 -11.262 10.596 1.00 0.00 O ATOM 1374 ND2 ASN A 94 13.837 -11.699 9.299 1.00 0.00 N ATOM 0 H ASN A 94 15.624 -8.059 6.873 1.00 0.00 H new ATOM 0 HA ASN A 94 13.410 -9.308 8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.585 -10.526 7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.385 -9.619 8.861 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.478 -12.398 9.949 1.00 0.00 H new ATOM 0 HD22 ASN A 94 13.329 -11.494 8.438 1.00 0.00 H new ATOM 1381 N ASP A 95 14.025 -6.702 9.332 1.00 0.00 N ATOM 1382 CA ASP A 95 14.064 -5.674 10.365 1.00 0.00 C ATOM 1383 C ASP A 95 12.687 -5.481 10.993 1.00 0.00 C ATOM 1384 O ASP A 95 11.670 -5.395 10.304 1.00 0.00 O ATOM 1385 CB ASP A 95 14.561 -4.351 9.779 1.00 0.00 C ATOM 1386 CG ASP A 95 16.073 -4.243 9.793 1.00 0.00 C ATOM 1387 OD1 ASP A 95 16.670 -4.422 10.875 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.659 -3.979 8.722 1.00 0.00 O ATOM 0 H ASP A 95 13.585 -6.407 8.460 1.00 0.00 H new ATOM 0 HA ASP A 95 14.755 -6.001 11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.202 -4.253 8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.135 -3.523 10.346 1.00 0.00 H new ATOM 1393 N PRO A 96 12.651 -5.414 12.332 1.00 0.00 N ATOM 1394 CA PRO A 96 11.405 -5.231 13.082 1.00 0.00 C ATOM 1395 C PRO A 96 10.817 -3.837 12.898 1.00 0.00 C ATOM 1396 O PRO A 96 9.613 -3.633 13.059 1.00 0.00 O ATOM 1397 CB PRO A 96 11.833 -5.444 14.537 1.00 0.00 C ATOM 1398 CG PRO A 96 13.283 -5.102 14.559 1.00 0.00 C ATOM 1399 CD PRO A 96 13.825 -5.509 13.216 1.00 0.00 C ATOM 0 HA PRO A 96 10.624 -5.914 12.748 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.265 -4.806 15.214 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.664 -6.474 14.853 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.430 -4.036 14.732 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.796 -5.629 15.363 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.628 -4.848 12.890 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.232 -6.520 13.236 1.00 0.00 H new ATOM 1407 N THR A 97 11.673 -2.878 12.559 1.00 0.00 N ATOM 1408 CA THR A 97 11.237 -1.502 12.353 1.00 0.00 C ATOM 1409 C THR A 97 10.471 -1.358 11.044 1.00 0.00 C ATOM 1410 O THR A 97 9.586 -0.511 10.922 1.00 0.00 O ATOM 1411 CB THR A 97 12.432 -0.530 12.346 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.187 -0.692 11.139 1.00 0.00 O ATOM 1413 CG2 THR A 97 13.332 -0.769 13.549 1.00 0.00 C ATOM 0 H THR A 97 12.672 -3.029 12.421 1.00 0.00 H new ATOM 0 HA THR A 97 10.579 -1.251 13.185 1.00 0.00 H new ATOM 0 HB THR A 97 12.045 0.488 12.399 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.944 -0.070 11.141 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.169 -0.071 13.522 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.762 -0.617 14.466 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.711 -1.791 13.523 1.00 0.00 H new ATOM 1421 N ARG A 98 10.816 -2.190 10.067 1.00 0.00 N ATOM 1422 CA ARG A 98 10.159 -2.154 8.765 1.00 0.00 C ATOM 1423 C ARG A 98 9.150 -3.292 8.634 1.00 0.00 C ATOM 1424 O ARG A 98 9.512 -4.466 8.705 1.00 0.00 O ATOM 1425 CB ARG A 98 11.197 -2.246 7.645 1.00 0.00 C ATOM 1426 CG ARG A 98 12.463 -1.451 7.920 1.00 0.00 C ATOM 1427 CD ARG A 98 13.573 -1.818 6.948 1.00 0.00 C ATOM 1428 NE ARG A 98 13.532 -1.001 5.737 1.00 0.00 N ATOM 1429 CZ ARG A 98 13.822 0.295 5.715 1.00 0.00 C ATOM 1430 NH1 ARG A 98 14.173 0.919 6.831 1.00 0.00 N ATOM 1431 NH2 ARG A 98 13.762 0.970 4.574 1.00 0.00 N ATOM 0 H ARG A 98 11.546 -2.897 10.152 1.00 0.00 H new ATOM 0 HA ARG A 98 9.625 -1.207 8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.461 -3.292 7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.750 -1.891 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.248 -0.385 7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.796 -1.637 8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.539 -1.693 7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.486 -2.871 6.678 1.00 0.00 H new ATOM 0 HE ARG A 98 13.266 -1.451 4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.221 0.404 7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.395 1.914 6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.493 0.494 3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.985 1.965 4.558 1.00 0.00 H new ATOM 1445 N GLN A 99 7.885 -2.934 8.441 1.00 0.00 N ATOM 1446 CA GLN A 99 6.824 -3.924 8.301 1.00 0.00 C ATOM 1447 C GLN A 99 6.016 -3.681 7.031 1.00 0.00 C ATOM 1448 O GLN A 99 5.538 -4.621 6.397 1.00 0.00 O ATOM 1449 CB GLN A 99 5.902 -3.891 9.521 1.00 0.00 C ATOM 1450 CG GLN A 99 6.638 -3.692 10.836 1.00 0.00 C ATOM 1451 CD GLN A 99 5.890 -4.275 12.018 1.00 0.00 C ATOM 1452 OE1 GLN A 99 5.045 -3.612 12.620 1.00 0.00 O ATOM 1453 NE2 GLN A 99 6.196 -5.522 12.357 1.00 0.00 N ATOM 0 H GLN A 99 7.570 -1.966 8.378 1.00 0.00 H new ATOM 0 HA GLN A 99 7.287 -4.908 8.232 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.176 -3.088 9.396 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.340 -4.824 9.566 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.623 -4.155 10.770 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.797 -2.626 11.001 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.903 -6.035 11.830 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.724 -5.967 13.144 1.00 0.00 H new ATOM 1462 N CYS A 100 5.868 -2.412 6.664 1.00 0.00 N ATOM 1463 CA CYS A 100 5.117 -2.043 5.470 1.00 0.00 C ATOM 1464 C CYS A 100 6.027 -2.005 4.246 1.00 0.00 C ATOM 1465 O CYS A 100 7.237 -1.807 4.363 1.00 0.00 O ATOM 1466 CB CYS A 100 4.447 -0.682 5.663 1.00 0.00 C ATOM 1467 SG CYS A 100 3.273 -0.622 7.055 1.00 0.00 S ATOM 0 H CYS A 100 6.259 -1.622 7.177 1.00 0.00 H new ATOM 0 HA CYS A 100 4.348 -2.798 5.307 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.219 0.072 5.820 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.921 -0.415 4.746 1.00 0.00 H new ATOM 1472 N VAL A 101 5.437 -2.196 3.070 1.00 0.00 N ATOM 1473 CA VAL A 101 6.193 -2.182 1.823 1.00 0.00 C ATOM 1474 C VAL A 101 5.810 -0.984 0.962 1.00 0.00 C ATOM 1475 O VAL A 101 4.649 -0.576 0.928 1.00 0.00 O ATOM 1476 CB VAL A 101 5.968 -3.474 1.016 1.00 0.00 C ATOM 1477 CG1 VAL A 101 6.894 -3.518 -0.190 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.171 -4.696 1.899 1.00 0.00 C ATOM 0 H VAL A 101 4.437 -2.362 2.955 1.00 0.00 H new ATOM 0 HA VAL A 101 7.247 -2.110 2.092 1.00 0.00 H new ATOM 0 HB VAL A 101 4.940 -3.482 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.721 -4.438 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.695 -2.661 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.931 -3.487 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.008 -5.600 1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.188 -4.697 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.463 -4.668 2.727 1.00 0.00 H new ATOM 1488 N TYR A 102 6.793 -0.424 0.266 1.00 0.00 N ATOM 1489 CA TYR A 102 6.560 0.729 -0.596 1.00 0.00 C ATOM 1490 C TYR A 102 7.205 0.527 -1.963 1.00 0.00 C ATOM 1491 O TYR A 102 8.359 0.109 -2.063 1.00 0.00 O ATOM 1492 CB TYR A 102 7.109 1.999 0.057 1.00 0.00 C ATOM 1493 CG TYR A 102 8.605 2.160 -0.096 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.159 2.573 -1.301 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.464 1.897 0.964 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.525 2.721 -1.446 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.831 2.044 0.829 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.357 2.455 -0.378 1.00 0.00 C ATOM 1499 OH TYR A 102 12.718 2.601 -0.516 1.00 0.00 O ATOM 0 H TYR A 102 7.759 -0.750 0.282 1.00 0.00 H new ATOM 0 HA TYR A 102 5.484 0.835 -0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.612 2.866 -0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.860 1.989 1.118 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.511 2.782 -2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.056 1.572 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.939 3.043 -2.390 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.484 1.838 1.664 1.00 0.00 H new ATOM 0 HH TYR A 102 13.003 2.217 -1.371 1.00 0.00 H new ATOM 1509 N PHE A 103 6.451 0.826 -3.016 1.00 0.00 N ATOM 1510 CA PHE A 103 6.947 0.678 -4.379 1.00 0.00 C ATOM 1511 C PHE A 103 8.164 1.568 -4.615 1.00 0.00 C ATOM 1512 O PHE A 103 8.044 2.790 -4.704 1.00 0.00 O ATOM 1513 CB PHE A 103 5.847 1.021 -5.385 1.00 0.00 C ATOM 1514 CG PHE A 103 6.160 0.584 -6.788 1.00 0.00 C ATOM 1515 CD1 PHE A 103 7.054 1.300 -7.567 1.00 0.00 C ATOM 1516 CD2 PHE A 103 5.558 -0.542 -7.327 1.00 0.00 C ATOM 1517 CE1 PHE A 103 7.344 0.900 -8.858 1.00 0.00 C ATOM 1518 CE2 PHE A 103 5.845 -0.946 -8.617 1.00 0.00 C ATOM 1519 CZ PHE A 103 6.738 -0.224 -9.384 1.00 0.00 C ATOM 0 H PHE A 103 5.494 1.172 -2.951 1.00 0.00 H new ATOM 0 HA PHE A 103 7.246 -0.361 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 103 4.916 0.553 -5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.681 2.098 -5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.530 2.181 -7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.857 -1.110 -6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.044 1.466 -9.455 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.371 -1.826 -9.025 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.962 -0.538 -10.393 1.00 0.00 H new ATOM 1529 N ASP A 104 9.334 0.946 -4.714 1.00 0.00 N ATOM 1530 CA ASP A 104 10.573 1.681 -4.940 1.00 0.00 C ATOM 1531 C ASP A 104 10.732 2.038 -6.415 1.00 0.00 C ATOM 1532 O ASP A 104 11.186 1.223 -7.216 1.00 0.00 O ATOM 1533 CB ASP A 104 11.773 0.856 -4.471 1.00 0.00 C ATOM 1534 CG ASP A 104 13.008 1.706 -4.249 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.150 2.739 -4.936 1.00 0.00 O ATOM 1536 OD2 ASP A 104 13.833 1.339 -3.387 1.00 0.00 O ATOM 0 H ASP A 104 9.450 -0.065 -4.641 1.00 0.00 H new ATOM 0 HA ASP A 104 10.529 2.605 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.517 0.343 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.993 0.087 -5.211 1.00 0.00 H new ATOM 1541 N GLY A 105 10.353 3.264 -6.765 1.00 0.00 N ATOM 1542 CA GLY A 105 10.460 3.708 -8.143 1.00 0.00 C ATOM 1543 C GLY A 105 11.892 3.988 -8.552 1.00 0.00 C ATOM 1544 O GLY A 105 12.293 3.692 -9.678 1.00 0.00 O ATOM 0 H GLY A 105 9.974 3.957 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.040 2.947 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.864 4.610 -8.278 1.00 0.00 H new ATOM 1548 N ARG A 106 12.666 4.563 -7.637 1.00 0.00 N ATOM 1549 CA ARG A 106 14.061 4.886 -7.910 1.00 0.00 C ATOM 1550 C ARG A 106 14.840 3.637 -8.311 1.00 0.00 C ATOM 1551 O ARG A 106 15.735 3.696 -9.155 1.00 0.00 O ATOM 1552 CB ARG A 106 14.707 5.531 -6.682 1.00 0.00 C ATOM 1553 CG ARG A 106 14.245 6.957 -6.429 1.00 0.00 C ATOM 1554 CD ARG A 106 14.987 7.583 -5.259 1.00 0.00 C ATOM 1555 NE ARG A 106 14.786 9.028 -5.193 1.00 0.00 N ATOM 1556 CZ ARG A 106 14.920 9.739 -4.079 1.00 0.00 C ATOM 1557 NH1 ARG A 106 15.255 9.142 -2.944 1.00 0.00 N ATOM 1558 NH2 ARG A 106 14.720 11.051 -4.100 1.00 0.00 N ATOM 0 H ARG A 106 12.350 4.815 -6.700 1.00 0.00 H new ATOM 0 HA ARG A 106 14.089 5.592 -8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 106 14.484 4.925 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 106 15.790 5.526 -6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 106 14.404 7.557 -7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 106 13.174 6.963 -6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.648 7.127 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.052 7.369 -5.349 1.00 0.00 H new ATOM 0 HE ARG A 106 14.529 9.518 -6.050 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.411 8.134 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.357 9.690 -2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.463 11.514 -4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.823 11.596 -3.244 1.00 0.00 H new ATOM 1572 N SER A 107 14.494 2.509 -7.700 1.00 0.00 N ATOM 1573 CA SER A 107 15.164 1.246 -7.990 1.00 0.00 C ATOM 1574 C SER A 107 15.305 1.039 -9.495 1.00 0.00 C ATOM 1575 O SER A 107 14.348 0.674 -10.175 1.00 0.00 O ATOM 1576 CB SER A 107 14.389 0.080 -7.374 1.00 0.00 C ATOM 1577 OG SER A 107 14.970 -1.163 -7.729 1.00 0.00 O ATOM 0 H SER A 107 13.754 2.443 -7.001 1.00 0.00 H new ATOM 0 HA SER A 107 16.161 1.283 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.375 0.182 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 107 13.353 0.110 -7.711 1.00 0.00 H new ATOM 0 HG SER A 107 14.519 -1.520 -8.523 1.00 0.00 H new ATOM 1583 N GLY A 108 16.509 1.277 -10.009 1.00 0.00 N ATOM 1584 CA GLY A 108 16.755 1.112 -11.429 1.00 0.00 C ATOM 1585 C GLY A 108 16.093 -0.130 -11.992 1.00 0.00 C ATOM 1586 O GLY A 108 15.809 -0.203 -13.188 1.00 0.00 O ATOM 0 H GLY A 108 17.318 1.581 -9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.388 1.989 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.829 1.059 -11.605 1.00 0.00 H new ATOM 1590 N ASP A 109 15.848 -1.110 -11.129 1.00 0.00 N ATOM 1591 CA ASP A 109 15.216 -2.357 -11.547 1.00 0.00 C ATOM 1592 C ASP A 109 13.756 -2.400 -11.105 1.00 0.00 C ATOM 1593 O ASP A 109 13.395 -1.856 -10.061 1.00 0.00 O ATOM 1594 CB ASP A 109 15.972 -3.555 -10.971 1.00 0.00 C ATOM 1595 CG ASP A 109 15.877 -4.780 -11.858 1.00 0.00 C ATOM 1596 OD1 ASP A 109 15.750 -4.613 -13.090 1.00 0.00 O ATOM 1597 OD2 ASP A 109 15.930 -5.906 -11.322 1.00 0.00 O ATOM 0 H ASP A 109 16.077 -1.065 -10.136 1.00 0.00 H new ATOM 0 HA ASP A 109 15.249 -2.406 -12.635 1.00 0.00 H new ATOM 0 HB2 ASP A 109 17.020 -3.288 -10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 109 15.573 -3.792 -9.985 1.00 0.00 H new ATOM 1602 N LYS A 110 12.920 -3.050 -11.908 1.00 0.00 N ATOM 1603 CA LYS A 110 11.499 -3.165 -11.601 1.00 0.00 C ATOM 1604 C LYS A 110 11.217 -4.432 -10.800 1.00 0.00 C ATOM 1605 O LYS A 110 10.234 -4.505 -10.062 1.00 0.00 O ATOM 1606 CB LYS A 110 10.677 -3.172 -12.892 1.00 0.00 C ATOM 1607 CG LYS A 110 11.135 -4.211 -13.900 1.00 0.00 C ATOM 1608 CD LYS A 110 9.999 -4.639 -14.814 1.00 0.00 C ATOM 1609 CE LYS A 110 9.134 -5.709 -14.165 1.00 0.00 C ATOM 1610 NZ LYS A 110 9.732 -7.066 -14.305 1.00 0.00 N ATOM 0 H LYS A 110 13.202 -3.505 -12.776 1.00 0.00 H new ATOM 0 HA LYS A 110 11.211 -2.303 -10.999 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.631 -3.354 -12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.729 -2.185 -13.351 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.951 -3.805 -14.498 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.528 -5.081 -13.374 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.384 -3.774 -15.062 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.407 -5.019 -15.751 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.002 -5.478 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.143 -5.700 -14.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.113 -7.767 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.835 -7.298 -15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.667 -7.082 -13.849 1.00 0.00 H new ATOM 1624 N SER A 111 12.085 -5.428 -10.949 1.00 0.00 N ATOM 1625 CA SER A 111 11.927 -6.692 -10.241 1.00 0.00 C ATOM 1626 C SER A 111 12.368 -6.559 -8.787 1.00 0.00 C ATOM 1627 O SER A 111 12.107 -7.437 -7.963 1.00 0.00 O ATOM 1628 CB SER A 111 12.735 -7.792 -10.932 1.00 0.00 C ATOM 1629 OG SER A 111 14.127 -7.593 -10.752 1.00 0.00 O ATOM 0 H SER A 111 12.905 -5.383 -11.554 1.00 0.00 H new ATOM 0 HA SER A 111 10.871 -6.961 -10.259 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.449 -8.764 -10.531 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.501 -7.805 -11.997 1.00 0.00 H new ATOM 0 HG SER A 111 14.371 -6.694 -11.057 1.00 0.00 H new ATOM 1635 N LYS A 112 13.038 -5.455 -8.477 1.00 0.00 N ATOM 1636 CA LYS A 112 13.516 -5.203 -7.122 1.00 0.00 C ATOM 1637 C LYS A 112 12.958 -3.890 -6.584 1.00 0.00 C ATOM 1638 O LYS A 112 13.657 -3.138 -5.905 1.00 0.00 O ATOM 1639 CB LYS A 112 15.045 -5.168 -7.097 1.00 0.00 C ATOM 1640 CG LYS A 112 15.690 -6.501 -7.438 1.00 0.00 C ATOM 1641 CD LYS A 112 17.121 -6.322 -7.915 1.00 0.00 C ATOM 1642 CE LYS A 112 17.529 -7.425 -8.880 1.00 0.00 C ATOM 1643 NZ LYS A 112 17.813 -8.704 -8.171 1.00 0.00 N ATOM 0 H LYS A 112 13.263 -4.719 -9.146 1.00 0.00 H new ATOM 0 HA LYS A 112 13.167 -6.014 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.394 -4.414 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.377 -4.856 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.676 -7.148 -6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.107 -7.001 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.224 -5.353 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.794 -6.320 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.734 -7.582 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.414 -7.113 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.653 -9.153 -8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.988 -8.511 -7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.997 -9.342 -8.265 1.00 0.00 H new ATOM 1657 N VAL A 113 11.693 -3.620 -6.890 1.00 0.00 N ATOM 1658 CA VAL A 113 11.040 -2.398 -6.435 1.00 0.00 C ATOM 1659 C VAL A 113 10.407 -2.592 -5.062 1.00 0.00 C ATOM 1660 O VAL A 113 10.236 -1.637 -4.305 1.00 0.00 O ATOM 1661 CB VAL A 113 9.955 -1.938 -7.427 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.578 -1.568 -8.765 1.00 0.00 C ATOM 1663 CG2 VAL A 113 8.899 -3.019 -7.601 1.00 0.00 C ATOM 0 H VAL A 113 11.100 -4.231 -7.451 1.00 0.00 H new ATOM 0 HA VAL A 113 11.812 -1.632 -6.371 1.00 0.00 H new ATOM 0 HB VAL A 113 9.469 -1.050 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.797 -1.245 -9.453 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.293 -0.758 -8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.091 -2.436 -9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.141 -2.677 -8.305 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.367 -3.926 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.432 -3.230 -6.639 1.00 0.00 H new ATOM 1673 N TRP A 114 10.061 -3.835 -4.747 1.00 0.00 N ATOM 1674 CA TRP A 114 9.447 -4.156 -3.463 1.00 0.00 C ATOM 1675 C TRP A 114 10.437 -3.955 -2.321 1.00 0.00 C ATOM 1676 O TRP A 114 11.295 -4.804 -2.073 1.00 0.00 O ATOM 1677 CB TRP A 114 8.936 -5.597 -3.464 1.00 0.00 C ATOM 1678 CG TRP A 114 7.587 -5.748 -4.100 1.00 0.00 C ATOM 1679 CD1 TRP A 114 6.931 -4.823 -4.861 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.730 -6.893 -4.029 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.717 -5.323 -5.266 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.570 -6.591 -4.770 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.829 -8.143 -3.414 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.520 -7.495 -4.910 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.786 -9.039 -3.553 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.644 -8.712 -4.296 1.00 0.00 C ATOM 0 H TRP A 114 10.195 -4.637 -5.363 1.00 0.00 H new ATOM 0 HA TRP A 114 8.605 -3.480 -3.312 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.651 -6.228 -3.991 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.888 -5.959 -2.437 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.311 -3.843 -5.108 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.036 -4.830 -5.843 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.705 -8.405 -2.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.639 -7.245 -5.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.852 -10.008 -3.081 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.846 -9.434 -4.386 1.00 0.00 H new ATOM 1697 N THR A 115 10.314 -2.828 -1.627 1.00 0.00 N ATOM 1698 CA THR A 115 11.198 -2.517 -0.511 1.00 0.00 C ATOM 1699 C THR A 115 10.403 -2.217 0.754 1.00 0.00 C ATOM 1700 O THR A 115 9.432 -1.460 0.726 1.00 0.00 O ATOM 1701 CB THR A 115 12.104 -1.313 -0.832 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.800 -1.538 -2.063 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.107 -1.077 0.287 1.00 0.00 C ATOM 0 H THR A 115 9.610 -2.115 -1.819 1.00 0.00 H new ATOM 0 HA THR A 115 11.819 -3.397 -0.345 1.00 0.00 H new ATOM 0 HB THR A 115 11.475 -0.428 -0.927 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.093 -0.680 -2.435 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.736 -0.222 0.038 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.574 -0.877 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.731 -1.962 0.409 1.00 0.00 H new ATOM 1711 N THR A 116 10.821 -2.815 1.866 1.00 0.00 N ATOM 1712 CA THR A 116 10.147 -2.612 3.142 1.00 0.00 C ATOM 1713 C THR A 116 10.643 -1.346 3.831 1.00 0.00 C ATOM 1714 O THR A 116 11.736 -0.857 3.541 1.00 0.00 O ATOM 1715 CB THR A 116 10.357 -3.811 4.085 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.753 -3.994 4.343 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.777 -5.082 3.482 1.00 0.00 C ATOM 0 H THR A 116 11.623 -3.444 1.908 1.00 0.00 H new ATOM 0 HA THR A 116 9.084 -2.511 2.925 1.00 0.00 H new ATOM 0 HB THR A 116 9.840 -3.603 5.021 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.174 -4.426 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.937 -5.915 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.708 -4.950 3.315 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.270 -5.292 2.533 1.00 0.00 H new ATOM 1725 N ASP A 117 9.835 -0.819 4.744 1.00 0.00 N ATOM 1726 CA ASP A 117 10.194 0.390 5.476 1.00 0.00 C ATOM 1727 C ASP A 117 9.191 0.668 6.592 1.00 0.00 C ATOM 1728 O ASP A 117 8.066 0.167 6.569 1.00 0.00 O ATOM 1729 CB ASP A 117 10.262 1.586 4.526 1.00 0.00 C ATOM 1730 CG ASP A 117 11.230 2.651 5.003 1.00 0.00 C ATOM 1731 OD1 ASP A 117 10.999 3.217 6.092 1.00 0.00 O ATOM 1732 OD2 ASP A 117 12.218 2.919 4.287 1.00 0.00 O ATOM 0 H ASP A 117 8.927 -1.210 4.995 1.00 0.00 H new ATOM 0 HA ASP A 117 11.176 0.235 5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.563 1.243 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.268 2.022 4.424 1.00 0.00 H new ATOM 1737 N THR A 118 9.606 1.468 7.569 1.00 0.00 N ATOM 1738 CA THR A 118 8.746 1.811 8.694 1.00 0.00 C ATOM 1739 C THR A 118 7.414 2.377 8.216 1.00 0.00 C ATOM 1740 O THR A 118 7.352 3.071 7.200 1.00 0.00 O ATOM 1741 CB THR A 118 9.421 2.834 9.626 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.553 3.146 10.722 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.770 4.107 8.870 1.00 0.00 C ATOM 0 H THR A 118 10.534 1.891 7.603 1.00 0.00 H new ATOM 0 HA THR A 118 8.568 0.889 9.247 1.00 0.00 H new ATOM 0 HB THR A 118 10.342 2.393 10.007 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.990 3.796 11.311 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.246 4.815 9.549 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.454 3.870 8.055 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.861 4.550 8.463 1.00 0.00 H new ATOM 1751 N CYS A 119 6.350 2.079 8.954 1.00 0.00 N ATOM 1752 CA CYS A 119 5.018 2.558 8.605 1.00 0.00 C ATOM 1753 C CYS A 119 4.762 3.937 9.208 1.00 0.00 C ATOM 1754 O CYS A 119 3.621 4.295 9.501 1.00 0.00 O ATOM 1755 CB CYS A 119 3.955 1.571 9.090 1.00 0.00 C ATOM 1756 SG CYS A 119 4.331 -0.171 8.714 1.00 0.00 S ATOM 0 H CYS A 119 6.384 1.508 9.798 1.00 0.00 H new ATOM 0 HA CYS A 119 4.960 2.639 7.520 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.837 1.682 10.168 1.00 0.00 H new ATOM 0 HB3 CYS A 119 2.999 1.831 8.636 1.00 0.00 H new ATOM 1761 N ALA A 120 5.830 4.705 9.391 1.00 0.00 N ATOM 1762 CA ALA A 120 5.721 6.044 9.957 1.00 0.00 C ATOM 1763 C ALA A 120 6.327 7.085 9.022 1.00 0.00 C ATOM 1764 O ALA A 120 6.129 8.287 9.203 1.00 0.00 O ATOM 1765 CB ALA A 120 6.396 6.098 11.319 1.00 0.00 C ATOM 0 H ALA A 120 6.782 4.423 9.155 1.00 0.00 H new ATOM 0 HA ALA A 120 4.663 6.275 10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.307 7.104 11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 120 5.916 5.387 11.992 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.450 5.842 11.213 1.00 0.00 H new ATOM 1771 N THR A 121 7.067 6.618 8.022 1.00 0.00 N ATOM 1772 CA THR A 121 7.704 7.509 7.060 1.00 0.00 C ATOM 1773 C THR A 121 6.680 8.104 6.101 1.00 0.00 C ATOM 1774 O THR A 121 5.924 7.391 5.440 1.00 0.00 O ATOM 1775 CB THR A 121 8.787 6.775 6.246 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.834 6.329 7.115 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.365 7.685 5.172 1.00 0.00 C ATOM 0 H THR A 121 7.240 5.627 7.857 1.00 0.00 H new ATOM 0 HA THR A 121 8.171 8.311 7.632 1.00 0.00 H new ATOM 0 HB THR A 121 8.326 5.914 5.761 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.518 5.862 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.128 7.146 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.570 8.000 4.496 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.812 8.562 5.640 1.00 0.00 H new ATOM 1785 N PRO A 122 6.652 9.443 6.020 1.00 0.00 N ATOM 1786 CA PRO A 122 5.725 10.164 5.143 1.00 0.00 C ATOM 1787 C PRO A 122 6.065 9.984 3.667 1.00 0.00 C ATOM 1788 O PRO A 122 7.046 10.540 3.175 1.00 0.00 O ATOM 1789 CB PRO A 122 5.906 11.625 5.559 1.00 0.00 C ATOM 1790 CG PRO A 122 7.282 11.689 6.127 1.00 0.00 C ATOM 1791 CD PRO A 122 7.523 10.355 6.779 1.00 0.00 C ATOM 0 HA PRO A 122 4.702 9.801 5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.798 12.296 4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.159 11.922 6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 122 8.018 11.880 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.368 12.499 6.852 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.570 10.059 6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.262 10.372 7.837 1.00 0.00 H new ATOM 1799 N ARG A 123 5.247 9.204 2.967 1.00 0.00 N ATOM 1800 CA ARG A 123 5.462 8.951 1.548 1.00 0.00 C ATOM 1801 C ARG A 123 4.137 8.938 0.791 1.00 0.00 C ATOM 1802 O ARG A 123 3.068 8.731 1.365 1.00 0.00 O ATOM 1803 CB ARG A 123 6.188 7.619 1.350 1.00 0.00 C ATOM 1804 CG ARG A 123 7.703 7.741 1.372 1.00 0.00 C ATOM 1805 CD ARG A 123 8.370 6.509 0.781 1.00 0.00 C ATOM 1806 NE ARG A 123 9.702 6.288 1.338 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.736 7.089 1.108 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.593 8.158 0.336 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.918 6.821 1.650 1.00 0.00 N ATOM 0 H ARG A 123 4.430 8.737 3.360 1.00 0.00 H new ATOM 0 HA ARG A 123 6.080 9.756 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.877 6.926 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.881 7.186 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 123 8.006 8.625 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.043 7.883 2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.748 5.634 0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.443 6.620 -0.301 1.00 0.00 H new ATOM 0 HE ARG A 123 9.846 5.474 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.687 8.367 -0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.389 8.771 0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.032 5.999 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.712 7.437 1.473 1.00 0.00 H new ATOM 1823 N PRO A 124 4.207 9.165 -0.529 1.00 0.00 N ATOM 1824 CA PRO A 124 3.023 9.184 -1.393 1.00 0.00 C ATOM 1825 C PRO A 124 2.408 7.800 -1.565 1.00 0.00 C ATOM 1826 O PRO A 124 3.042 6.786 -1.271 1.00 0.00 O ATOM 1827 CB PRO A 124 3.567 9.697 -2.729 1.00 0.00 C ATOM 1828 CG PRO A 124 5.011 9.329 -2.716 1.00 0.00 C ATOM 1829 CD PRO A 124 5.448 9.419 -1.281 1.00 0.00 C ATOM 0 HA PRO A 124 2.225 9.799 -0.977 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.049 9.237 -3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.434 10.775 -2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.161 8.323 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.592 10.005 -3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.217 8.682 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.865 10.399 -1.049 1.00 0.00 H new ATOM 1837 N PHE A 125 1.168 7.763 -2.041 1.00 0.00 N ATOM 1838 CA PHE A 125 0.466 6.502 -2.251 1.00 0.00 C ATOM 1839 C PHE A 125 -0.477 6.597 -3.447 1.00 0.00 C ATOM 1840 O PHE A 125 -0.554 7.633 -4.109 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.320 6.117 -0.997 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.086 7.260 -0.395 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.425 8.283 0.266 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.468 7.312 -0.490 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.128 9.335 0.822 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.176 8.363 0.063 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.505 9.376 0.719 1.00 0.00 C ATOM 0 H PHE A 125 0.628 8.592 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 125 1.209 5.731 -2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.015 5.315 -1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.371 5.721 -0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.652 8.258 0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.998 6.522 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.601 10.125 1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.253 8.392 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.056 10.199 1.151 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.191 5.510 -3.718 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.129 5.470 -4.833 1.00 0.00 C ATOM 1859 C ILE A 126 -3.444 4.816 -4.422 1.00 0.00 C ATOM 1860 O ILE A 126 -3.471 3.653 -4.017 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.542 4.708 -6.035 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.253 5.379 -6.513 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.559 4.637 -7.165 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.290 4.798 -7.799 1.00 0.00 C ATOM 0 H ILE A 126 -1.138 4.645 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.316 6.503 -5.125 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.305 3.692 -5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.438 6.444 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.504 5.288 -5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.129 4.095 -8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.453 4.118 -6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.824 5.646 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.204 5.322 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.508 3.739 -7.657 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.450 4.913 -8.591 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.533 5.569 -4.532 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.852 5.062 -4.174 1.00 0.00 C ATOM 1878 C CYS A 127 -6.542 4.437 -5.383 1.00 0.00 C ATOM 1879 O CYS A 127 -6.404 4.921 -6.506 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.717 6.190 -3.606 1.00 0.00 C ATOM 1881 SG CYS A 127 -5.874 7.220 -2.363 1.00 0.00 S ATOM 0 H CYS A 127 -4.528 6.533 -4.866 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.724 4.292 -3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.048 6.827 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.611 5.757 -3.157 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.284 3.361 -5.143 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.994 2.670 -6.213 1.00 0.00 C ATOM 1888 C GLN A 128 -9.446 2.413 -5.824 1.00 0.00 C ATOM 1889 O GLN A 128 -9.732 1.952 -4.719 1.00 0.00 O ATOM 1890 CB GLN A 128 -7.300 1.348 -6.543 1.00 0.00 C ATOM 1891 CG GLN A 128 -8.171 0.385 -7.335 1.00 0.00 C ATOM 1892 CD GLN A 128 -7.457 -0.912 -7.663 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -8.189 -2.019 -7.614 1.00 0.00 O flip ATOM 1894 NE2 GLN A 128 -6.262 -0.919 -7.956 1.00 0.00 N flip ATOM 0 H GLN A 128 -7.409 2.949 -4.218 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.981 3.309 -7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.393 1.555 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.992 0.867 -5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -9.074 0.164 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.488 0.865 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -5.738 -0.044 -7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -5.795 -1.800 -8.173 1.00 0.00 H new ATOM 1903 N LYS A 129 -10.361 2.713 -6.740 1.00 0.00 N ATOM 1904 CA LYS A 129 -11.784 2.514 -6.495 1.00 0.00 C ATOM 1905 C LYS A 129 -12.237 1.147 -6.998 1.00 0.00 C ATOM 1906 O LYS A 129 -13.368 0.726 -6.751 1.00 0.00 O ATOM 1907 CB LYS A 129 -12.599 3.615 -7.176 1.00 0.00 C ATOM 1908 CG LYS A 129 -12.537 3.568 -8.693 1.00 0.00 C ATOM 1909 CD LYS A 129 -13.171 4.801 -9.316 1.00 0.00 C ATOM 1910 CE LYS A 129 -14.655 4.593 -9.577 1.00 0.00 C ATOM 1911 NZ LYS A 129 -15.393 5.885 -9.640 1.00 0.00 N ATOM 0 H LYS A 129 -10.142 3.095 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.951 2.560 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -13.639 3.533 -6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -12.238 4.586 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -11.498 3.491 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.048 2.674 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.033 5.656 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -12.665 5.038 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -14.787 4.053 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -15.079 3.971 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -16.401 5.701 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -15.289 6.389 -8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.006 6.469 -10.409 1.00 0.00 H new ATOM 1925 N HIS A 130 -11.347 0.457 -7.704 1.00 0.00 N ATOM 1926 CA HIS A 130 -11.655 -0.865 -8.240 1.00 0.00 C ATOM 1927 C HIS A 130 -12.801 -0.790 -9.244 1.00 0.00 C ATOM 1928 O HIS A 130 -13.697 -1.634 -9.242 1.00 0.00 O ATOM 1929 CB HIS A 130 -12.016 -1.826 -7.108 1.00 0.00 C ATOM 1930 CG HIS A 130 -11.899 -3.270 -7.488 1.00 0.00 C ATOM 1931 ND1 HIS A 130 -12.642 -4.268 -6.894 1.00 0.00 N ATOM 1932 CD2 HIS A 130 -11.119 -3.883 -8.410 1.00 0.00 C ATOM 1933 CE1 HIS A 130 -12.325 -5.431 -7.433 1.00 0.00 C ATOM 1934 NE2 HIS A 130 -11.403 -5.225 -8.356 1.00 0.00 N ATOM 0 H HIS A 130 -10.407 0.791 -7.918 1.00 0.00 H new ATOM 0 HA HIS A 130 -10.769 -1.237 -8.754 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -11.367 -1.630 -6.255 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -13.037 -1.626 -6.784 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -10.406 -3.405 -9.066 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -12.748 -6.388 -7.165 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -10.972 -5.946 -8.935 1.00 0.00 H new ATOM 1943 N ARG A 131 -12.767 0.226 -10.100 1.00 0.00 N ATOM 1944 CA ARG A 131 -13.804 0.412 -11.108 1.00 0.00 C ATOM 1945 C ARG A 131 -15.183 0.103 -10.532 1.00 0.00 C ATOM 1946 O ARG A 131 -16.008 -0.539 -11.182 1.00 0.00 O ATOM 1947 CB ARG A 131 -13.533 -0.481 -12.320 1.00 0.00 C ATOM 1948 CG ARG A 131 -12.514 0.097 -13.287 1.00 0.00 C ATOM 1949 CD ARG A 131 -13.107 1.231 -14.109 1.00 0.00 C ATOM 1950 NE ARG A 131 -13.782 0.742 -15.308 1.00 0.00 N ATOM 1951 CZ ARG A 131 -14.651 1.464 -16.008 1.00 0.00 C ATOM 1952 NH1 ARG A 131 -14.947 2.700 -15.631 1.00 0.00 N ATOM 1953 NH2 ARG A 131 -15.224 0.950 -17.089 1.00 0.00 N ATOM 0 H ARG A 131 -12.032 0.933 -10.116 1.00 0.00 H new ATOM 0 HA ARG A 131 -13.787 1.455 -11.424 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -13.182 -1.453 -11.973 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -14.469 -0.652 -12.851 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -11.650 0.462 -12.732 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -12.156 -0.688 -13.953 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -13.815 1.791 -13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -12.316 1.924 -14.395 1.00 0.00 H new ATOM 0 HE ARG A 131 -13.575 -0.205 -15.626 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -14.507 3.099 -14.802 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -15.614 3.252 -16.170 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -14.998 -0.000 -17.383 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -15.891 1.505 -17.625 1.00 0.00 H new ATOM 1967 N TYR A 132 -15.425 0.564 -9.310 1.00 0.00 N ATOM 1968 CA TYR A 132 -16.702 0.335 -8.646 1.00 0.00 C ATOM 1969 C TYR A 132 -17.245 1.628 -8.047 1.00 0.00 C ATOM 1970 O TYR A 132 -16.550 2.320 -7.302 1.00 0.00 O ATOM 1971 CB TYR A 132 -16.549 -0.723 -7.551 1.00 0.00 C ATOM 1972 CG TYR A 132 -17.863 -1.162 -6.945 1.00 0.00 C ATOM 1973 CD1 TYR A 132 -18.602 -2.192 -7.513 1.00 0.00 C ATOM 1974 CD2 TYR A 132 -18.364 -0.547 -5.805 1.00 0.00 C ATOM 1975 CE1 TYR A 132 -19.803 -2.596 -6.963 1.00 0.00 C ATOM 1976 CE2 TYR A 132 -19.564 -0.945 -5.247 1.00 0.00 C ATOM 1977 CZ TYR A 132 -20.280 -1.970 -5.830 1.00 0.00 C ATOM 1978 OH TYR A 132 -21.475 -2.371 -5.279 1.00 0.00 O ATOM 0 H TYR A 132 -14.753 1.099 -8.759 1.00 0.00 H new ATOM 0 HA TYR A 132 -17.411 -0.024 -9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -16.042 -1.593 -7.967 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -15.909 -0.328 -6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -18.231 -2.685 -8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -17.806 0.256 -5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -20.366 -3.398 -7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -19.939 -0.457 -4.360 1.00 0.00 H new ATOM 0 HH TYR A 132 -21.667 -1.830 -4.485 1.00 0.00 H new ATOM 1988 N ASP A 133 -18.491 1.948 -8.377 1.00 0.00 N ATOM 1989 CA ASP A 133 -19.130 3.158 -7.870 1.00 0.00 C ATOM 1990 C ASP A 133 -19.518 2.995 -6.404 1.00 0.00 C ATOM 1991 O ASP A 133 -20.223 2.054 -6.039 1.00 0.00 O ATOM 1992 CB ASP A 133 -20.368 3.493 -8.704 1.00 0.00 C ATOM 1993 CG ASP A 133 -21.456 2.446 -8.571 1.00 0.00 C ATOM 1994 OD1 ASP A 133 -21.216 1.286 -8.967 1.00 0.00 O ATOM 1995 OD2 ASP A 133 -22.548 2.787 -8.070 1.00 0.00 O ATOM 0 H ASP A 133 -19.079 1.387 -8.993 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.415 3.977 -7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -20.760 4.462 -8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -20.083 3.585 -9.752 1.00 0.00 H new ATOM 2000 N SER A 134 -19.051 3.916 -5.568 1.00 0.00 N ATOM 2001 CA SER A 134 -19.344 3.872 -4.140 1.00 0.00 C ATOM 2002 C SER A 134 -20.202 5.063 -3.725 1.00 0.00 C ATOM 2003 O SER A 134 -21.203 4.907 -3.024 1.00 0.00 O ATOM 2004 CB SER A 134 -18.046 3.858 -3.331 1.00 0.00 C ATOM 2005 OG SER A 134 -17.196 4.926 -3.712 1.00 0.00 O ATOM 0 H SER A 134 -18.468 4.702 -5.855 1.00 0.00 H new ATOM 0 HA SER A 134 -19.900 2.957 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 134 -18.275 3.933 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 134 -17.531 2.909 -3.480 1.00 0.00 H new ATOM 0 HG SER A 134 -16.374 4.896 -3.179 1.00 0.00 H new ATOM 2011 N ASP A 135 -19.803 6.252 -4.162 1.00 0.00 N ATOM 2012 CA ASP A 135 -20.535 7.471 -3.837 1.00 0.00 C ATOM 2013 C ASP A 135 -21.847 7.540 -4.612 1.00 0.00 C ATOM 2014 O ASP A 135 -21.912 8.127 -5.693 1.00 0.00 O ATOM 2015 CB ASP A 135 -19.681 8.702 -4.146 1.00 0.00 C ATOM 2016 CG ASP A 135 -18.976 8.597 -5.484 1.00 0.00 C ATOM 2017 OD1 ASP A 135 -19.645 8.254 -6.481 1.00 0.00 O ATOM 2018 OD2 ASP A 135 -17.755 8.856 -5.534 1.00 0.00 O ATOM 0 H ASP A 135 -18.977 6.398 -4.742 1.00 0.00 H new ATOM 0 HA ASP A 135 -20.763 7.455 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -20.313 9.590 -4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -18.940 8.834 -3.358 1.00 0.00 H new ATOM 2023 N HIS A 136 -22.891 6.935 -4.053 1.00 0.00 N ATOM 2024 CA HIS A 136 -24.202 6.927 -4.692 1.00 0.00 C ATOM 2025 C HIS A 136 -24.508 8.283 -5.322 1.00 0.00 C ATOM 2026 O HIS A 136 -24.934 8.363 -6.474 1.00 0.00 O ATOM 2027 CB HIS A 136 -25.286 6.568 -3.676 1.00 0.00 C ATOM 2028 CG HIS A 136 -26.645 7.077 -4.044 1.00 0.00 C ATOM 2029 ND1 HIS A 136 -27.211 7.296 -5.254 1.00 0.00 N flip ATOM 2030 CD2 HIS A 136 -27.596 7.428 -3.109 1.00 0.00 C flip ATOM 2031 CE1 HIS A 136 -28.480 7.769 -5.031 1.00 0.00 C flip ATOM 2032 NE2 HIS A 136 -28.688 7.839 -3.728 1.00 0.00 N flip ATOM 0 H HIS A 136 -22.854 6.444 -3.159 1.00 0.00 H new ATOM 0 HA HIS A 136 -24.190 6.174 -5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -25.329 5.484 -3.571 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -25.008 6.971 -2.702 1.00 0.00 H new ATOM 0 HD1 HIS A 136 -26.775 7.139 -6.163 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -27.468 7.375 -2.038 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -29.193 8.040 -5.796 1.00 0.00 H new ATOM 2041 N LYS A 137 -24.288 9.348 -4.557 1.00 0.00 N ATOM 2042 CA LYS A 137 -24.540 10.701 -5.039 1.00 0.00 C ATOM 2043 C LYS A 137 -23.272 11.547 -4.970 1.00 0.00 C ATOM 2044 O LYS A 137 -22.401 11.335 -4.127 1.00 0.00 O ATOM 2045 CB LYS A 137 -25.650 11.359 -4.216 1.00 0.00 C ATOM 2046 CG LYS A 137 -27.029 10.782 -4.485 1.00 0.00 C ATOM 2047 CD LYS A 137 -27.635 11.356 -5.755 1.00 0.00 C ATOM 2048 CE LYS A 137 -29.155 11.352 -5.698 1.00 0.00 C ATOM 2049 NZ LYS A 137 -29.675 12.313 -4.685 1.00 0.00 N ATOM 0 H LYS A 137 -23.936 9.300 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 137 -24.857 10.637 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -25.419 11.249 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -25.664 12.428 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -26.960 9.698 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -27.684 10.994 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -27.278 12.375 -5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -27.300 10.775 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -29.556 11.606 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -29.507 10.348 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -30.652 12.576 -4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -29.657 11.870 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -29.079 13.165 -4.677 1.00 0.00 H new ATOM 2063 N PRO A 138 -23.166 12.530 -5.877 1.00 0.00 N ATOM 2064 CA PRO A 138 -22.010 13.429 -5.938 1.00 0.00 C ATOM 2065 C PRO A 138 -21.955 14.384 -4.751 1.00 0.00 C ATOM 2066 O PRO A 138 -22.777 15.292 -4.635 1.00 0.00 O ATOM 2067 CB PRO A 138 -22.232 14.204 -7.239 1.00 0.00 C ATOM 2068 CG PRO A 138 -23.704 14.162 -7.459 1.00 0.00 C ATOM 2069 CD PRO A 138 -24.167 12.839 -6.912 1.00 0.00 C ATOM 0 HA PRO A 138 -21.067 12.883 -5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -21.874 15.230 -7.155 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -21.695 13.746 -8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -24.198 14.989 -6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -23.943 14.251 -8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -25.171 12.906 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -24.195 12.072 -7.686 1.00 0.00 H new ATOM 2077 N ASN A 139 -20.980 14.174 -3.872 1.00 0.00 N ATOM 2078 CA ASN A 139 -20.819 15.017 -2.694 1.00 0.00 C ATOM 2079 C ASN A 139 -20.733 16.489 -3.086 1.00 0.00 C ATOM 2080 O ASN A 139 -21.495 17.321 -2.591 1.00 0.00 O ATOM 2081 CB ASN A 139 -19.564 14.611 -1.918 1.00 0.00 C ATOM 2082 CG ASN A 139 -19.546 13.133 -1.581 1.00 0.00 C ATOM 2083 OD1 ASN A 139 -20.291 12.673 -0.715 1.00 0.00 O ATOM 2084 ND2 ASN A 139 -18.692 12.380 -2.265 1.00 0.00 N ATOM 0 H ASN A 139 -20.290 13.427 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 139 -21.693 14.879 -2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -18.680 14.857 -2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -19.506 15.192 -0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -18.635 11.378 -2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -18.093 12.803 -2.974 1.00 0.00 H new ATOM 2091 N THR A 140 -19.801 16.805 -3.979 1.00 0.00 N ATOM 2092 CA THR A 140 -19.615 18.176 -4.438 1.00 0.00 C ATOM 2093 C THR A 140 -19.272 18.217 -5.922 1.00 0.00 C ATOM 2094 O THR A 140 -18.952 17.191 -6.524 1.00 0.00 O ATOM 2095 CB THR A 140 -18.501 18.887 -3.646 1.00 0.00 C ATOM 2096 OG1 THR A 140 -17.297 18.113 -3.691 1.00 0.00 O ATOM 2097 CG2 THR A 140 -18.918 19.101 -2.199 1.00 0.00 C ATOM 0 H THR A 140 -19.163 16.130 -4.399 1.00 0.00 H new ATOM 0 HA THR A 140 -20.558 18.696 -4.271 1.00 0.00 H new ATOM 0 HB THR A 140 -18.324 19.860 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 140 -16.594 18.573 -3.187 1.00 0.00 H new ATOM 0 HG21 THR A 140 -18.116 19.604 -1.660 1.00 0.00 H new ATOM 0 HG22 THR A 140 -19.818 19.715 -2.167 1.00 0.00 H new ATOM 0 HG23 THR A 140 -19.120 18.137 -1.732 1.00 0.00 H new ATOM 2105 N ILE A 141 -19.341 19.408 -6.508 1.00 0.00 N ATOM 2106 CA ILE A 141 -19.037 19.582 -7.923 1.00 0.00 C ATOM 2107 C ILE A 141 -17.546 19.820 -8.139 1.00 0.00 C ATOM 2108 O ILE A 141 -16.889 20.481 -7.335 1.00 0.00 O ATOM 2109 CB ILE A 141 -19.826 20.758 -8.528 1.00 0.00 C ATOM 2110 CG1 ILE A 141 -19.608 20.821 -10.041 1.00 0.00 C ATOM 2111 CG2 ILE A 141 -19.413 22.067 -7.872 1.00 0.00 C ATOM 2112 CD1 ILE A 141 -20.496 19.877 -10.820 1.00 0.00 C ATOM 0 H ILE A 141 -19.605 20.267 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 141 -19.332 18.661 -8.425 1.00 0.00 H new ATOM 0 HB ILE A 141 -20.888 20.600 -8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -19.787 21.840 -10.383 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -18.566 20.589 -10.259 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -19.980 22.888 -8.311 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -19.615 22.017 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -18.348 22.234 -8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -20.287 19.976 -11.885 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -20.301 18.852 -10.506 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -21.541 20.122 -10.632 1.00 0.00 H new ATOM 2124 N GLY A 142 -17.018 19.279 -9.232 1.00 0.00 N ATOM 2125 CA GLY A 142 -15.608 19.445 -9.536 1.00 0.00 C ATOM 2126 C GLY A 142 -15.282 19.109 -10.977 1.00 0.00 C ATOM 2127 O GLY A 142 -14.980 17.961 -11.301 1.00 0.00 O ATOM 0 H GLY A 142 -17.541 18.728 -9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -15.314 20.474 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -15.020 18.808 -8.876 1.00 0.00 H new ATOM 2131 N ASP A 143 -15.345 20.113 -11.846 1.00 0.00 N ATOM 2132 CA ASP A 143 -15.055 19.918 -13.261 1.00 0.00 C ATOM 2133 C ASP A 143 -13.562 19.700 -13.485 1.00 0.00 C ATOM 2134 O ASP A 143 -12.823 20.641 -13.773 1.00 0.00 O ATOM 2135 CB ASP A 143 -15.534 21.123 -14.072 1.00 0.00 C ATOM 2136 CG ASP A 143 -16.914 21.590 -13.655 1.00 0.00 C ATOM 2137 OD1 ASP A 143 -17.696 20.756 -13.153 1.00 0.00 O ATOM 2138 OD2 ASP A 143 -17.214 22.790 -13.831 1.00 0.00 O ATOM 0 H ASP A 143 -15.594 21.070 -11.594 1.00 0.00 H new ATOM 0 HA ASP A 143 -15.588 19.028 -13.597 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -14.825 21.942 -13.953 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -15.546 20.863 -15.131 1.00 0.00 H new ATOM 2143 N ALA A 144 -13.124 18.452 -13.349 1.00 0.00 N ATOM 2144 CA ALA A 144 -11.720 18.111 -13.536 1.00 0.00 C ATOM 2145 C ALA A 144 -11.569 16.711 -14.124 1.00 0.00 C ATOM 2146 O ALA A 144 -12.042 15.732 -13.547 1.00 0.00 O ATOM 2147 CB ALA A 144 -10.970 18.215 -12.217 1.00 0.00 C ATOM 0 H ALA A 144 -13.722 17.661 -13.110 1.00 0.00 H new ATOM 0 HA ALA A 144 -11.290 18.822 -14.242 1.00 0.00 H new ATOM 0 HB1 ALA A 144 -9.922 17.957 -12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 144 -11.040 19.235 -11.838 1.00 0.00 H new ATOM 0 HB3 ALA A 144 -11.409 17.528 -11.494 1.00 0.00 H new ATOM 2153 N SER A 145 -10.909 16.625 -15.274 1.00 0.00 N ATOM 2154 CA SER A 145 -10.700 15.346 -15.942 1.00 0.00 C ATOM 2155 C SER A 145 -9.303 15.272 -16.550 1.00 0.00 C ATOM 2156 O SER A 145 -8.550 16.244 -16.523 1.00 0.00 O ATOM 2157 CB SER A 145 -11.755 15.136 -17.030 1.00 0.00 C ATOM 2158 OG SER A 145 -11.509 15.974 -18.146 1.00 0.00 O ATOM 0 H SER A 145 -10.510 17.426 -15.763 1.00 0.00 H new ATOM 0 HA SER A 145 -10.795 14.556 -15.197 1.00 0.00 H new ATOM 0 HB2 SER A 145 -11.753 14.093 -17.347 1.00 0.00 H new ATOM 0 HB3 SER A 145 -12.746 15.344 -16.626 1.00 0.00 H new ATOM 0 HG SER A 145 -12.195 15.820 -18.828 1.00 0.00 H new ATOM 2164 N GLY A 146 -8.965 14.110 -17.101 1.00 0.00 N ATOM 2165 CA GLY A 146 -7.659 13.929 -17.709 1.00 0.00 C ATOM 2166 C GLY A 146 -7.645 12.807 -18.728 1.00 0.00 C ATOM 2167 O GLY A 146 -8.535 11.957 -18.760 1.00 0.00 O ATOM 0 H GLY A 146 -9.572 13.291 -17.137 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.354 14.858 -18.191 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -6.925 13.718 -16.931 1.00 0.00 H new ATOM 2171 N PRO A 147 -6.614 12.796 -19.587 1.00 0.00 N ATOM 2172 CA PRO A 147 -6.463 11.776 -20.629 1.00 0.00 C ATOM 2173 C PRO A 147 -6.125 10.405 -20.053 1.00 0.00 C ATOM 2174 O PRO A 147 -4.970 10.123 -19.735 1.00 0.00 O ATOM 2175 CB PRO A 147 -5.301 12.303 -21.474 1.00 0.00 C ATOM 2176 CG PRO A 147 -4.517 13.164 -20.546 1.00 0.00 C ATOM 2177 CD PRO A 147 -5.518 13.779 -19.606 1.00 0.00 C ATOM 0 HA PRO A 147 -7.385 11.628 -21.192 1.00 0.00 H new ATOM 0 HB2 PRO A 147 -4.694 11.487 -21.865 1.00 0.00 H new ATOM 0 HB3 PRO A 147 -5.661 12.871 -22.332 1.00 0.00 H new ATOM 0 HG2 PRO A 147 -3.778 12.578 -20.000 1.00 0.00 H new ATOM 0 HG3 PRO A 147 -3.972 13.933 -21.094 1.00 0.00 H new ATOM 0 HD2 PRO A 147 -5.096 13.930 -18.612 1.00 0.00 H new ATOM 0 HD3 PRO A 147 -5.857 14.753 -19.960 1.00 0.00 H new ATOM 2185 N SER A 148 -7.140 9.557 -19.922 1.00 0.00 N ATOM 2186 CA SER A 148 -6.950 8.216 -19.381 1.00 0.00 C ATOM 2187 C SER A 148 -8.072 7.285 -19.832 1.00 0.00 C ATOM 2188 O SER A 148 -9.155 7.735 -20.204 1.00 0.00 O ATOM 2189 CB SER A 148 -6.894 8.263 -17.853 1.00 0.00 C ATOM 2190 OG SER A 148 -8.175 8.518 -17.303 1.00 0.00 O ATOM 0 H SER A 148 -8.102 9.774 -20.183 1.00 0.00 H new ATOM 0 HA SER A 148 -6.005 7.828 -19.760 1.00 0.00 H new ATOM 0 HB2 SER A 148 -6.513 7.316 -17.471 1.00 0.00 H new ATOM 0 HB3 SER A 148 -6.197 9.039 -17.535 1.00 0.00 H new ATOM 0 HG SER A 148 -8.112 8.541 -16.325 1.00 0.00 H new ATOM 2196 N SER A 149 -7.803 5.984 -19.795 1.00 0.00 N ATOM 2197 CA SER A 149 -8.787 4.988 -20.203 1.00 0.00 C ATOM 2198 C SER A 149 -8.892 3.872 -19.168 1.00 0.00 C ATOM 2199 O SER A 149 -7.886 3.293 -18.759 1.00 0.00 O ATOM 2200 CB SER A 149 -8.415 4.401 -21.566 1.00 0.00 C ATOM 2201 OG SER A 149 -7.084 3.915 -21.566 1.00 0.00 O ATOM 0 H SER A 149 -6.912 5.595 -19.487 1.00 0.00 H new ATOM 0 HA SER A 149 -9.756 5.481 -20.280 1.00 0.00 H new ATOM 0 HB2 SER A 149 -9.101 3.592 -21.816 1.00 0.00 H new ATOM 0 HB3 SER A 149 -8.527 5.164 -22.337 1.00 0.00 H new ATOM 0 HG SER A 149 -6.826 3.668 -20.653 1.00 0.00 H new ATOM 2207 N GLY A 150 -10.118 3.576 -18.748 1.00 0.00 N ATOM 2208 CA GLY A 150 -10.334 2.531 -17.764 1.00 0.00 C ATOM 2209 C GLY A 150 -9.731 2.872 -16.416 1.00 0.00 C ATOM 2210 O GLY A 150 -10.003 2.201 -15.420 1.00 0.00 O ATOM 0 H GLY A 150 -10.966 4.041 -19.072 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -11.404 2.361 -17.648 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -9.901 1.599 -18.127 1.00 0.00 H new TER 2214 GLY A 150