USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 926 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 104 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 1.3: A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 72 CYS SG : rot 85:sc= 1.08 USER MOD Set 2.2: A 90 CYS SG : rot 34:sc= -0.691 USER MOD Set 3.1: A 62 CYS SG : rot 180:sc= 0.845 USER MOD Set 3.2: A 76 CYS SG : rot -57:sc= 0.763 USER MOD Set 4.1: A 48 SER OG : rot 180:sc= 0.368 USER MOD Set 4.2: A 57 ASN : amide:sc= 1.58 K(o=1.9,f=-3.3!) USER MOD Set 5.1: A 43 THR OG1 : rot -123:sc= 0.717 USER MOD Set 5.2: A 49 LYS NZ :NH3+ 170:sc= 0.814 (180deg=0) USER MOD Set 6.1: A 34 SER OG : rot 80:sc= 0.0911 USER MOD Set 6.2: A 42 ASN : amide:sc= 0.881 K(o=2.3,f=0.6) USER MOD Set 6.3: A 55 GLN : amide:sc= 1.36 K(o=2.3,f=-1) USER MOD Set 7.1: A 28 CYS SG : rot -28:sc= 0.609 USER MOD Set 7.2: A 32 HIS : no HD1:sc= 0.0285 X(o=0.7,f=0.31) USER MOD Set 7.3: A 110 CYS SG : rot -58:sc= 0.0593 USER MOD Single : A 1 GLY N :NH3+ 172:sc= 0.824 (180deg=0.779) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.05 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.19) USER MOD Single : A 16 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-2.2) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.115 (180deg=-3.62!) USER MOD Single : A 25 ASN : amide:sc= 0.179 K(o=0.18,f=-1.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 170:sc= 1.21 USER MOD Single : A 39 SER OG : rot 180:sc= -0.481 USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= 1.13 (180deg=0.703) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -147:sc= 0.297 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 1 (180deg=0.815) USER MOD Single : A 73 ASN : amide:sc= -0.0338 K(o=-0.034,f=-0.83) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.942) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.068 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 168:sc= 0.884 (180deg=0.778) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 1.14 (180deg=1.09) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.042) USER MOD Single : A 107 LYS NZ :NH3+ -162:sc= 0.917 (180deg=0.682) USER MOD Single : A 111 GLN : amide:sc= 1.53 K(o=1.5,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -54:sc= 1.24 USER MOD Single : A 119 SER OG : rot 84:sc= 0.388 USER MOD Single : A 120 CYS SG : rot -170:sc= -0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.323 -7.720 10.111 1.00 0.00 N ATOM 2 CA GLY A 1 -7.878 -7.579 8.714 1.00 0.00 C ATOM 3 C GLY A 1 -8.540 -8.595 7.804 1.00 0.00 C ATOM 4 O GLY A 1 -9.124 -9.581 8.263 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.751 -7.102 10.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.324 -7.449 10.185 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.208 -8.708 10.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.105 -6.573 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.796 -7.698 8.664 1.00 0.00 H new ATOM 10 N LYS A 2 -8.449 -8.360 6.493 1.00 0.00 N ATOM 11 CA LYS A 2 -9.143 -9.106 5.437 1.00 0.00 C ATOM 12 C LYS A 2 -8.432 -8.998 4.073 1.00 0.00 C ATOM 13 O LYS A 2 -7.629 -8.083 3.849 1.00 0.00 O ATOM 14 CB LYS A 2 -10.608 -8.619 5.353 1.00 0.00 C ATOM 15 CG LYS A 2 -10.740 -7.164 4.857 1.00 0.00 C ATOM 16 CD LYS A 2 -12.192 -6.668 4.810 1.00 0.00 C ATOM 17 CE LYS A 2 -13.015 -7.395 3.736 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.398 -6.858 3.650 1.00 0.00 N ATOM 0 H LYS A 2 -7.864 -7.612 6.121 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.127 -10.164 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.164 -9.276 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.069 -8.703 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.161 -6.511 5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.304 -7.086 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.657 -6.816 5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.203 -5.596 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.523 -7.292 2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.051 -8.460 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.925 -7.372 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.875 -6.979 4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.363 -5.847 3.408 1.00 0.00 H new ATOM 32 N THR A 3 -8.786 -9.897 3.143 1.00 0.00 N ATOM 33 CA THR A 3 -8.239 -9.949 1.778 1.00 0.00 C ATOM 34 C THR A 3 -9.281 -9.496 0.764 1.00 0.00 C ATOM 35 O THR A 3 -10.425 -9.953 0.792 1.00 0.00 O ATOM 36 CB THR A 3 -7.704 -11.346 1.438 1.00 0.00 C ATOM 37 OG1 THR A 3 -6.938 -11.833 2.520 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.786 -11.284 0.215 1.00 0.00 C ATOM 0 H THR A 3 -9.477 -10.626 3.323 1.00 0.00 H new ATOM 0 HA THR A 3 -7.396 -9.260 1.730 1.00 0.00 H new ATOM 0 HB THR A 3 -8.555 -11.996 1.236 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.597 -12.726 2.304 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.415 -12.283 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.344 -10.901 -0.639 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.944 -10.624 0.425 1.00 0.00 H new ATOM 46 N PHE A 4 -8.869 -8.601 -0.130 1.00 0.00 N ATOM 47 CA PHE A 4 -9.670 -8.027 -1.211 1.00 0.00 C ATOM 48 C PHE A 4 -9.427 -8.786 -2.525 1.00 0.00 C ATOM 49 O PHE A 4 -8.368 -9.382 -2.739 1.00 0.00 O ATOM 50 CB PHE A 4 -9.329 -6.526 -1.351 1.00 0.00 C ATOM 51 CG PHE A 4 -9.769 -5.668 -0.170 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.074 -5.728 1.056 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.896 -4.828 -0.282 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.534 -5.005 2.170 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.355 -4.107 0.835 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.684 -4.206 2.066 1.00 0.00 C ATOM 0 H PHE A 4 -7.916 -8.236 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.730 -8.124 -0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.252 -6.421 -1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.797 -6.142 -2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.183 -6.333 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.408 -4.738 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.002 -5.064 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.226 -3.475 0.746 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.051 -3.670 2.928 1.00 0.00 H new ATOM 66 N THR A 5 -10.410 -8.726 -3.429 1.00 0.00 N ATOM 67 CA THR A 5 -10.300 -9.173 -4.831 1.00 0.00 C ATOM 68 C THR A 5 -9.946 -7.971 -5.702 1.00 0.00 C ATOM 69 O THR A 5 -10.157 -6.840 -5.269 1.00 0.00 O ATOM 70 CB THR A 5 -11.575 -9.903 -5.273 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.347 -10.415 -6.566 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.824 -9.020 -5.307 1.00 0.00 C ATOM 0 H THR A 5 -11.333 -8.355 -3.204 1.00 0.00 H new ATOM 0 HA THR A 5 -9.499 -9.904 -4.940 1.00 0.00 H new ATOM 0 HB THR A 5 -11.774 -10.682 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.146 -10.890 -6.875 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.680 -9.613 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.014 -8.620 -4.311 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.669 -8.197 -6.005 1.00 0.00 H new ATOM 80 N ARG A 6 -9.400 -8.171 -6.908 1.00 0.00 N ATOM 81 CA ARG A 6 -8.888 -7.069 -7.740 1.00 0.00 C ATOM 82 C ARG A 6 -9.955 -6.001 -8.012 1.00 0.00 C ATOM 83 O ARG A 6 -9.715 -4.822 -7.756 1.00 0.00 O ATOM 84 CB ARG A 6 -8.276 -7.611 -9.042 1.00 0.00 C ATOM 85 CG ARG A 6 -7.514 -6.507 -9.800 1.00 0.00 C ATOM 86 CD ARG A 6 -6.795 -7.041 -11.043 1.00 0.00 C ATOM 87 NE ARG A 6 -5.687 -7.944 -10.680 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.292 -9.040 -11.312 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.919 -9.516 -12.369 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.228 -9.672 -10.877 1.00 0.00 N ATOM 0 H ARG A 6 -9.300 -9.092 -7.334 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.097 -6.573 -7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.598 -8.434 -8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.064 -8.015 -9.677 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.213 -5.725 -10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.786 -6.048 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.506 -7.572 -11.676 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.409 -6.206 -11.628 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.162 -7.695 -9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.743 -9.037 -12.732 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.580 -10.363 -12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.721 -9.318 -10.066 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.908 -10.517 -11.350 1.00 0.00 H new ATOM 104 N CYS A 7 -11.162 -6.388 -8.436 1.00 0.00 N ATOM 105 CA CYS A 7 -12.265 -5.437 -8.667 1.00 0.00 C ATOM 106 C CYS A 7 -12.732 -4.721 -7.387 1.00 0.00 C ATOM 107 O CYS A 7 -13.089 -3.545 -7.444 1.00 0.00 O ATOM 108 CB CYS A 7 -13.426 -6.141 -9.384 1.00 0.00 C ATOM 109 SG CYS A 7 -14.199 -7.509 -8.478 1.00 0.00 S ATOM 0 H CYS A 7 -11.406 -7.360 -8.629 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.880 -4.647 -9.312 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.193 -5.400 -9.609 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.062 -6.522 -10.338 1.00 0.00 H new ATOM 0 HG CYS A 7 -15.162 -8.012 -9.191 1.00 0.00 H new ATOM 114 N GLY A 8 -12.627 -5.375 -6.225 1.00 0.00 N ATOM 115 CA GLY A 8 -12.898 -4.777 -4.913 1.00 0.00 C ATOM 116 C GLY A 8 -11.827 -3.757 -4.534 1.00 0.00 C ATOM 117 O GLY A 8 -12.161 -2.646 -4.140 1.00 0.00 O ATOM 0 H GLY A 8 -12.346 -6.354 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.875 -4.293 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.941 -5.560 -4.156 1.00 0.00 H new ATOM 121 N LEU A 9 -10.547 -4.096 -4.719 1.00 0.00 N ATOM 122 CA LEU A 9 -9.403 -3.212 -4.514 1.00 0.00 C ATOM 123 C LEU A 9 -9.443 -2.001 -5.454 1.00 0.00 C ATOM 124 O LEU A 9 -9.362 -0.881 -4.963 1.00 0.00 O ATOM 125 CB LEU A 9 -8.123 -4.056 -4.666 1.00 0.00 C ATOM 126 CG LEU A 9 -6.839 -3.254 -4.406 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.817 -2.692 -2.980 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.613 -4.138 -4.651 1.00 0.00 C ATOM 0 H LEU A 9 -10.273 -5.029 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.428 -2.784 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.165 -4.897 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.087 -4.472 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.815 -2.411 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.897 -2.129 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.674 -2.034 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.865 -3.513 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.706 -3.562 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.643 -4.996 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.616 -4.486 -5.684 1.00 0.00 H new ATOM 140 N VAL A 10 -9.645 -2.202 -6.761 1.00 0.00 N ATOM 141 CA VAL A 10 -9.843 -1.114 -7.745 1.00 0.00 C ATOM 142 C VAL A 10 -10.903 -0.118 -7.242 1.00 0.00 C ATOM 143 O VAL A 10 -10.677 1.088 -7.247 1.00 0.00 O ATOM 144 CB VAL A 10 -10.253 -1.674 -9.134 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.782 -0.590 -10.086 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.081 -2.370 -9.842 1.00 0.00 C ATOM 0 H VAL A 10 -9.677 -3.133 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.892 -0.593 -7.858 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.048 -2.388 -8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.052 -1.044 -11.040 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.661 -0.118 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.009 0.161 -10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.412 -2.747 -10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.269 -1.657 -9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.728 -3.201 -9.231 1.00 0.00 H new ATOM 156 N HIS A 11 -12.036 -0.618 -6.743 1.00 0.00 N ATOM 157 CA HIS A 11 -13.126 0.207 -6.199 1.00 0.00 C ATOM 158 C HIS A 11 -12.757 0.907 -4.877 1.00 0.00 C ATOM 159 O HIS A 11 -13.047 2.092 -4.709 1.00 0.00 O ATOM 160 CB HIS A 11 -14.383 -0.656 -6.008 1.00 0.00 C ATOM 161 CG HIS A 11 -15.105 -1.069 -7.269 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.381 -1.642 -7.286 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.661 -0.948 -8.558 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.664 -1.863 -8.580 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.652 -1.459 -9.366 1.00 0.00 N ATOM 0 H HIS A 11 -12.228 -1.619 -6.703 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.318 0.998 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.101 -1.557 -5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.082 -0.108 -5.376 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.717 -0.533 -8.879 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.581 -2.306 -8.940 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.623 -1.520 -10.384 1.00 0.00 H new ATOM 173 N GLU A 12 -12.094 0.206 -3.956 1.00 0.00 N ATOM 174 CA GLU A 12 -11.678 0.738 -2.654 1.00 0.00 C ATOM 175 C GLU A 12 -10.675 1.890 -2.816 1.00 0.00 C ATOM 176 O GLU A 12 -10.794 2.923 -2.167 1.00 0.00 O ATOM 177 CB GLU A 12 -11.107 -0.412 -1.800 1.00 0.00 C ATOM 178 CG GLU A 12 -11.405 -0.292 -0.303 1.00 0.00 C ATOM 179 CD GLU A 12 -12.917 -0.285 -0.017 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.572 -1.345 -0.137 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.471 0.787 0.316 1.00 0.00 O ATOM 0 H GLU A 12 -11.825 -0.768 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.543 1.157 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.512 -1.356 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.027 -0.453 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.939 -1.122 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.958 0.624 0.084 1.00 0.00 H new ATOM 188 N LEU A 13 -9.739 1.769 -3.760 1.00 0.00 N ATOM 189 CA LEU A 13 -8.769 2.818 -4.084 1.00 0.00 C ATOM 190 C LEU A 13 -9.412 3.984 -4.843 1.00 0.00 C ATOM 191 O LEU A 13 -9.105 5.141 -4.558 1.00 0.00 O ATOM 192 CB LEU A 13 -7.633 2.187 -4.894 1.00 0.00 C ATOM 193 CG LEU A 13 -6.882 1.061 -4.170 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.908 0.414 -5.154 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.126 1.540 -2.930 1.00 0.00 C ATOM 0 H LEU A 13 -9.632 0.929 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.378 3.241 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.043 1.793 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.920 2.966 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.622 0.342 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.366 -0.389 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.462 0.007 -6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.200 1.162 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.617 0.695 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.392 2.292 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.830 1.975 -2.220 1.00 0.00 H new ATOM 207 N ARG A 14 -10.350 3.707 -5.757 1.00 0.00 N ATOM 208 CA ARG A 14 -11.157 4.752 -6.418 1.00 0.00 C ATOM 209 C ARG A 14 -11.937 5.606 -5.398 1.00 0.00 C ATOM 210 O ARG A 14 -11.981 6.830 -5.530 1.00 0.00 O ATOM 211 CB ARG A 14 -12.127 4.140 -7.442 1.00 0.00 C ATOM 212 CG ARG A 14 -11.464 3.776 -8.780 1.00 0.00 C ATOM 213 CD ARG A 14 -12.415 2.905 -9.607 1.00 0.00 C ATOM 214 NE ARG A 14 -11.883 2.601 -10.945 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.420 1.735 -11.805 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.565 1.136 -11.570 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.809 1.432 -12.927 1.00 0.00 N ATOM 0 H ARG A 14 -10.574 2.759 -6.061 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.459 5.405 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.576 3.244 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.937 4.845 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.213 4.682 -9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.530 3.243 -8.601 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.604 1.973 -9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.373 3.414 -9.708 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.038 3.091 -11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.073 1.328 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.946 0.479 -12.251 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.911 1.861 -13.151 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.232 0.768 -13.575 1.00 0.00 H new ATOM 231 N LYS A 15 -12.496 4.992 -4.347 1.00 0.00 N ATOM 232 CA LYS A 15 -13.128 5.700 -3.219 1.00 0.00 C ATOM 233 C LYS A 15 -12.109 6.498 -2.382 1.00 0.00 C ATOM 234 O LYS A 15 -12.400 7.612 -1.940 1.00 0.00 O ATOM 235 CB LYS A 15 -13.855 4.686 -2.319 1.00 0.00 C ATOM 236 CG LYS A 15 -15.111 4.064 -2.952 1.00 0.00 C ATOM 237 CD LYS A 15 -15.546 2.793 -2.205 1.00 0.00 C ATOM 238 CE LYS A 15 -15.917 3.070 -0.740 1.00 0.00 C ATOM 239 NZ LYS A 15 -16.048 1.813 0.038 1.00 0.00 N ATOM 0 H LYS A 15 -12.524 3.977 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.838 6.415 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.161 3.887 -2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.138 5.180 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.924 4.790 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.913 3.824 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.401 2.350 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.739 2.061 -2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.155 3.703 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.856 3.623 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.332 2.036 1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.769 1.206 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.135 1.315 0.049 1.00 0.00 H new ATOM 253 N HIS A 16 -10.901 5.957 -2.197 1.00 0.00 N ATOM 254 CA HIS A 16 -9.848 6.522 -1.340 1.00 0.00 C ATOM 255 C HIS A 16 -8.928 7.551 -2.046 1.00 0.00 C ATOM 256 O HIS A 16 -7.979 8.051 -1.435 1.00 0.00 O ATOM 257 CB HIS A 16 -9.072 5.360 -0.689 1.00 0.00 C ATOM 258 CG HIS A 16 -9.896 4.511 0.258 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.254 4.661 0.566 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.410 3.445 0.953 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.547 3.655 1.407 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.462 2.914 1.667 1.00 0.00 N ATOM 0 H HIS A 16 -10.618 5.089 -2.651 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.327 7.119 -0.564 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.671 4.721 -1.476 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.220 5.768 -0.145 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.392 3.084 0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.528 3.469 1.819 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.422 2.102 2.283 1.00 0.00 H new ATOM 270 N GLY A 17 -9.215 7.903 -3.308 1.00 0.00 N ATOM 271 CA GLY A 17 -8.570 9.011 -4.031 1.00 0.00 C ATOM 272 C GLY A 17 -7.345 8.607 -4.853 1.00 0.00 C ATOM 273 O GLY A 17 -6.385 9.376 -4.929 1.00 0.00 O ATOM 0 H GLY A 17 -9.916 7.416 -3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.302 9.469 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.273 9.773 -3.311 1.00 0.00 H new ATOM 277 N PHE A 18 -7.359 7.416 -5.456 1.00 0.00 N ATOM 278 CA PHE A 18 -6.324 6.930 -6.373 1.00 0.00 C ATOM 279 C PHE A 18 -6.779 7.139 -7.828 1.00 0.00 C ATOM 280 O PHE A 18 -7.946 6.916 -8.160 1.00 0.00 O ATOM 281 CB PHE A 18 -6.034 5.455 -6.076 1.00 0.00 C ATOM 282 CG PHE A 18 -5.321 5.186 -4.758 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.950 5.448 -3.526 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.015 4.662 -4.760 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.268 5.234 -2.321 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.339 4.420 -3.553 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.964 4.710 -2.330 1.00 0.00 C ATOM 0 H PHE A 18 -8.113 6.743 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.401 7.492 -6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.977 4.908 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.429 5.050 -6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.965 5.816 -3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.528 4.444 -5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.746 5.472 -1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.339 4.011 -3.566 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.445 4.531 -1.400 1.00 0.00 H new ATOM 297 N GLU A 19 -5.863 7.575 -8.696 1.00 0.00 N ATOM 298 CA GLU A 19 -6.168 7.939 -10.086 1.00 0.00 C ATOM 299 C GLU A 19 -6.453 6.702 -10.950 1.00 0.00 C ATOM 300 O GLU A 19 -5.690 5.736 -10.931 1.00 0.00 O ATOM 301 CB GLU A 19 -4.997 8.716 -10.707 1.00 0.00 C ATOM 302 CG GLU A 19 -4.665 10.047 -10.024 1.00 0.00 C ATOM 303 CD GLU A 19 -5.828 11.051 -10.108 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.097 11.575 -11.215 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.472 11.326 -9.069 1.00 0.00 O ATOM 0 H GLU A 19 -4.879 7.687 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.061 8.563 -10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.110 8.083 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.225 8.910 -11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.420 9.865 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.779 10.480 -10.488 1.00 0.00 H new ATOM 312 N GLU A 20 -7.510 6.752 -11.766 1.00 0.00 N ATOM 313 CA GLU A 20 -7.901 5.644 -12.650 1.00 0.00 C ATOM 314 C GLU A 20 -6.816 5.261 -13.677 1.00 0.00 C ATOM 315 O GLU A 20 -6.702 4.090 -14.037 1.00 0.00 O ATOM 316 CB GLU A 20 -9.250 5.944 -13.331 1.00 0.00 C ATOM 317 CG GLU A 20 -9.223 7.133 -14.303 1.00 0.00 C ATOM 318 CD GLU A 20 -10.619 7.394 -14.889 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.954 6.813 -15.949 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.388 8.188 -14.297 1.00 0.00 O ATOM 0 H GLU A 20 -8.123 7.565 -11.834 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.019 4.766 -12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.574 5.056 -13.873 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.996 6.138 -12.561 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.870 8.024 -13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.517 6.933 -15.109 1.00 0.00 H new ATOM 327 N ASN A 21 -5.968 6.212 -14.096 1.00 0.00 N ATOM 328 CA ASN A 21 -4.846 5.946 -15.009 1.00 0.00 C ATOM 329 C ASN A 21 -3.632 5.290 -14.312 1.00 0.00 C ATOM 330 O ASN A 21 -2.789 4.693 -14.985 1.00 0.00 O ATOM 331 CB ASN A 21 -4.465 7.229 -15.771 1.00 0.00 C ATOM 332 CG ASN A 21 -3.551 8.170 -14.988 1.00 0.00 C ATOM 333 OD1 ASN A 21 -2.336 8.030 -14.996 1.00 0.00 O ATOM 334 ND2 ASN A 21 -4.095 9.154 -14.296 1.00 0.00 N ATOM 0 H ASN A 21 -6.041 7.189 -13.811 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.185 5.205 -15.734 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.972 6.953 -16.703 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.376 7.764 -16.039 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.502 9.796 -13.769 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.108 9.273 -14.288 1.00 0.00 H new ATOM 341 N LEU A 22 -3.562 5.363 -12.973 1.00 0.00 N ATOM 342 CA LEU A 22 -2.529 4.728 -12.142 1.00 0.00 C ATOM 343 C LEU A 22 -3.019 3.435 -11.474 1.00 0.00 C ATOM 344 O LEU A 22 -2.210 2.686 -10.933 1.00 0.00 O ATOM 345 CB LEU A 22 -2.057 5.725 -11.065 1.00 0.00 C ATOM 346 CG LEU A 22 -1.496 7.068 -11.571 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.015 7.888 -10.364 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.348 6.905 -12.578 1.00 0.00 C ATOM 0 H LEU A 22 -4.245 5.883 -12.422 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.703 4.455 -12.798 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.897 5.934 -10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.289 5.239 -10.463 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.300 7.580 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.615 8.842 -10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.852 8.068 -9.689 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.236 7.337 -9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.001 7.888 -12.894 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.473 6.362 -12.109 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.702 6.349 -13.446 1.00 0.00 H new ATOM 360 N MET A 23 -4.326 3.155 -11.504 1.00 0.00 N ATOM 361 CA MET A 23 -4.967 2.038 -10.796 1.00 0.00 C ATOM 362 C MET A 23 -4.313 0.684 -11.110 1.00 0.00 C ATOM 363 O MET A 23 -4.016 -0.076 -10.186 1.00 0.00 O ATOM 364 CB MET A 23 -6.470 2.069 -11.123 1.00 0.00 C ATOM 365 CG MET A 23 -7.340 1.263 -10.151 1.00 0.00 C ATOM 366 SD MET A 23 -7.216 1.763 -8.420 1.00 0.00 S ATOM 367 CE MET A 23 -7.717 3.493 -8.585 1.00 0.00 C ATOM 0 H MET A 23 -4.989 3.716 -12.038 1.00 0.00 H new ATOM 0 HA MET A 23 -4.829 2.159 -9.722 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.809 3.105 -11.124 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.619 1.684 -12.132 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.381 1.347 -10.464 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.067 0.211 -10.230 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.253 3.804 -7.688 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.833 4.117 -8.713 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.367 3.602 -9.453 1.00 0.00 H new ATOM 377 N ARG A 24 -3.979 0.420 -12.384 1.00 0.00 N ATOM 378 CA ARG A 24 -3.241 -0.779 -12.814 1.00 0.00 C ATOM 379 C ARG A 24 -1.906 -0.933 -12.068 1.00 0.00 C ATOM 380 O ARG A 24 -1.622 -1.990 -11.503 1.00 0.00 O ATOM 381 CB ARG A 24 -2.963 -0.736 -14.330 1.00 0.00 C ATOM 382 CG ARG A 24 -4.219 -0.592 -15.197 1.00 0.00 C ATOM 383 CD ARG A 24 -3.914 -0.677 -16.698 1.00 0.00 C ATOM 384 NE ARG A 24 -3.522 -2.039 -17.098 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.060 -2.412 -18.286 1.00 0.00 C ATOM 386 NH1 ARG A 24 -2.897 -1.554 -19.272 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.749 -3.670 -18.501 1.00 0.00 N ATOM 0 H ARG A 24 -4.218 1.043 -13.156 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.873 -1.635 -12.577 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.292 0.097 -14.541 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.439 -1.648 -14.618 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.931 -1.373 -14.930 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.697 0.363 -14.981 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.792 -0.370 -17.266 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.114 0.020 -16.947 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.615 -2.769 -16.392 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.128 -0.570 -19.135 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.540 -1.874 -20.172 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.863 -4.358 -17.756 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.394 -3.959 -19.413 1.00 0.00 H new ATOM 401 N ASN A 25 -1.109 0.136 -12.024 1.00 0.00 N ATOM 402 CA ASN A 25 0.183 0.193 -11.332 1.00 0.00 C ATOM 403 C ASN A 25 0.004 -0.035 -9.822 1.00 0.00 C ATOM 404 O ASN A 25 0.729 -0.834 -9.230 1.00 0.00 O ATOM 405 CB ASN A 25 0.875 1.546 -11.596 1.00 0.00 C ATOM 406 CG ASN A 25 0.917 1.948 -13.071 1.00 0.00 C ATOM 407 OD1 ASN A 25 -0.093 2.298 -13.669 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.080 1.923 -13.699 1.00 0.00 N ATOM 0 H ASN A 25 -1.351 1.014 -12.483 1.00 0.00 H new ATOM 0 HA ASN A 25 0.816 -0.603 -11.723 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.357 2.323 -11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.895 1.501 -11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.136 2.195 -14.680 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.922 1.632 -13.202 1.00 0.00 H new ATOM 415 N TRP A 26 -1.009 0.598 -9.215 1.00 0.00 N ATOM 416 CA TRP A 26 -1.311 0.486 -7.790 1.00 0.00 C ATOM 417 C TRP A 26 -1.785 -0.915 -7.389 1.00 0.00 C ATOM 418 O TRP A 26 -1.209 -1.491 -6.465 1.00 0.00 O ATOM 419 CB TRP A 26 -2.333 1.559 -7.394 1.00 0.00 C ATOM 420 CG TRP A 26 -1.761 2.923 -7.166 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.047 4.038 -7.875 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.848 3.351 -6.106 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.404 5.126 -7.313 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.688 4.766 -6.189 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.165 2.686 -5.063 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.054 5.492 -5.245 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.606 3.401 -4.127 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.702 4.802 -4.205 1.00 0.00 C ATOM 0 H TRP A 26 -1.651 1.213 -9.715 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.384 0.652 -7.241 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.090 1.625 -8.176 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.841 1.238 -6.485 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.682 4.074 -8.748 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.453 6.075 -7.683 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.236 1.611 -4.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.127 6.567 -5.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.127 2.870 -3.344 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.272 5.347 -3.467 1.00 0.00 H new ATOM 439 N VAL A 27 -2.768 -1.505 -8.084 1.00 0.00 N ATOM 440 CA VAL A 27 -3.242 -2.857 -7.718 1.00 0.00 C ATOM 441 C VAL A 27 -2.160 -3.914 -7.938 1.00 0.00 C ATOM 442 O VAL A 27 -2.047 -4.833 -7.135 1.00 0.00 O ATOM 443 CB VAL A 27 -4.561 -3.305 -8.388 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.669 -2.277 -8.148 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.426 -3.627 -9.882 1.00 0.00 C ATOM 0 H VAL A 27 -3.243 -1.085 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.468 -2.771 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.833 -4.245 -7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.588 -2.613 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.839 -2.168 -7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.371 -1.316 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.395 -3.933 -10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.080 -2.742 -10.415 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.707 -4.435 -10.016 1.00 0.00 H new ATOM 455 N CYS A 28 -1.311 -3.755 -8.960 1.00 0.00 N ATOM 456 CA CYS A 28 -0.204 -4.680 -9.211 1.00 0.00 C ATOM 457 C CYS A 28 0.886 -4.559 -8.135 1.00 0.00 C ATOM 458 O CYS A 28 1.296 -5.567 -7.564 1.00 0.00 O ATOM 459 CB CYS A 28 0.316 -4.440 -10.629 1.00 0.00 C ATOM 460 SG CYS A 28 1.225 -5.840 -11.337 1.00 0.00 S ATOM 0 H CYS A 28 -1.372 -2.988 -9.630 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.553 -5.711 -9.145 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.528 -4.204 -11.278 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.967 -3.566 -10.622 1.00 0.00 H new ATOM 0 HG CYS A 28 1.776 -6.528 -10.381 1.00 0.00 H new ATOM 465 N LEU A 29 1.253 -3.327 -7.749 1.00 0.00 N ATOM 466 CA LEU A 29 2.129 -3.039 -6.604 1.00 0.00 C ATOM 467 C LEU A 29 1.572 -3.673 -5.326 1.00 0.00 C ATOM 468 O LEU A 29 2.275 -4.437 -4.672 1.00 0.00 O ATOM 469 CB LEU A 29 2.315 -1.509 -6.516 1.00 0.00 C ATOM 470 CG LEU A 29 3.231 -0.968 -5.395 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.600 0.483 -5.737 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.579 -0.965 -4.004 1.00 0.00 C ATOM 0 H LEU A 29 0.942 -2.486 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 29 3.114 -3.487 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.710 -1.162 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.331 -1.056 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 29 4.095 -1.631 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.247 0.887 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.122 0.510 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.693 1.084 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.285 -0.572 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.687 -0.338 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.302 -1.983 -3.730 1.00 0.00 H new ATOM 484 N VAL A 30 0.304 -3.419 -4.998 1.00 0.00 N ATOM 485 CA VAL A 30 -0.358 -3.974 -3.803 1.00 0.00 C ATOM 486 C VAL A 30 -0.386 -5.510 -3.823 1.00 0.00 C ATOM 487 O VAL A 30 -0.129 -6.132 -2.792 1.00 0.00 O ATOM 488 CB VAL A 30 -1.783 -3.398 -3.651 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.652 -4.199 -2.672 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.716 -1.936 -3.179 1.00 0.00 C ATOM 0 H VAL A 30 -0.303 -2.818 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 30 0.230 -3.674 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.248 -3.463 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.641 -3.745 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.746 -5.226 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.187 -4.196 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.726 -1.540 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.207 -1.887 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.167 -1.342 -3.910 1.00 0.00 H new ATOM 500 N GLU A 31 -0.650 -6.127 -4.979 1.00 0.00 N ATOM 501 CA GLU A 31 -0.614 -7.585 -5.134 1.00 0.00 C ATOM 502 C GLU A 31 0.787 -8.170 -4.898 1.00 0.00 C ATOM 503 O GLU A 31 0.917 -9.200 -4.240 1.00 0.00 O ATOM 504 CB GLU A 31 -1.139 -7.997 -6.520 1.00 0.00 C ATOM 505 CG GLU A 31 -2.670 -7.928 -6.591 1.00 0.00 C ATOM 506 CD GLU A 31 -3.246 -8.091 -8.002 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.551 -8.550 -8.935 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.459 -7.831 -8.165 1.00 0.00 O ATOM 0 H GLU A 31 -0.895 -5.629 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.268 -7.999 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.710 -7.344 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.810 -9.011 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.087 -8.705 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.998 -6.970 -6.186 1.00 0.00 H new ATOM 515 N HIS A 32 1.843 -7.501 -5.359 1.00 0.00 N ATOM 516 CA HIS A 32 3.227 -7.945 -5.173 1.00 0.00 C ATOM 517 C HIS A 32 3.850 -7.555 -3.811 1.00 0.00 C ATOM 518 O HIS A 32 4.849 -8.158 -3.410 1.00 0.00 O ATOM 519 CB HIS A 32 4.043 -7.434 -6.365 1.00 0.00 C ATOM 520 CG HIS A 32 3.777 -8.197 -7.639 1.00 0.00 C ATOM 521 ND1 HIS A 32 3.280 -7.657 -8.827 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.995 -9.532 -7.822 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.192 -8.685 -9.687 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.618 -9.823 -9.114 1.00 0.00 N ATOM 0 H HIS A 32 1.763 -6.626 -5.878 1.00 0.00 H new ATOM 0 HA HIS A 32 3.239 -9.035 -5.143 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.817 -6.380 -6.527 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.104 -7.499 -6.125 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.388 -10.226 -7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.828 -8.607 -10.701 1.00 0.00 H new ATOM 0 HE2 HIS A 32 3.656 -10.741 -9.558 1.00 0.00 H new ATOM 532 N GLU A 33 3.260 -6.600 -3.081 1.00 0.00 N ATOM 533 CA GLU A 33 3.675 -6.214 -1.725 1.00 0.00 C ATOM 534 C GLU A 33 2.931 -7.017 -0.644 1.00 0.00 C ATOM 535 O GLU A 33 3.569 -7.684 0.169 1.00 0.00 O ATOM 536 CB GLU A 33 3.472 -4.704 -1.500 1.00 0.00 C ATOM 537 CG GLU A 33 4.488 -3.822 -2.240 1.00 0.00 C ATOM 538 CD GLU A 33 5.938 -4.057 -1.787 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.224 -3.989 -0.571 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.803 -4.289 -2.659 1.00 0.00 O ATOM 0 H GLU A 33 2.464 -6.062 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 33 4.737 -6.446 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.467 -4.431 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.534 -4.494 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.413 -4.013 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.231 -2.774 -2.084 1.00 0.00 H new ATOM 547 N SER A 34 1.593 -6.987 -0.627 1.00 0.00 N ATOM 548 CA SER A 34 0.778 -7.531 0.478 1.00 0.00 C ATOM 549 C SER A 34 -0.292 -8.534 0.019 1.00 0.00 C ATOM 550 O SER A 34 -1.119 -8.960 0.820 1.00 0.00 O ATOM 551 CB SER A 34 0.089 -6.392 1.247 1.00 0.00 C ATOM 552 OG SER A 34 0.966 -5.321 1.536 1.00 0.00 O ATOM 0 H SER A 34 1.038 -6.583 -1.381 1.00 0.00 H new ATOM 0 HA SER A 34 1.475 -8.068 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.752 -6.020 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.320 -6.783 2.179 1.00 0.00 H new ATOM 0 HG SER A 34 1.065 -4.756 0.742 1.00 0.00 H new ATOM 558 N SER A 35 -0.339 -8.877 -1.270 1.00 0.00 N ATOM 559 CA SER A 35 -1.292 -9.828 -1.870 1.00 0.00 C ATOM 560 C SER A 35 -2.768 -9.412 -1.707 1.00 0.00 C ATOM 561 O SER A 35 -3.664 -10.261 -1.688 1.00 0.00 O ATOM 562 CB SER A 35 -1.072 -11.261 -1.359 1.00 0.00 C ATOM 563 OG SER A 35 0.284 -11.683 -1.474 1.00 0.00 O ATOM 0 H SER A 35 0.308 -8.488 -1.955 1.00 0.00 H new ATOM 0 HA SER A 35 -1.080 -9.806 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.380 -11.322 -0.315 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.710 -11.944 -1.920 1.00 0.00 H new ATOM 0 HG SER A 35 0.372 -12.598 -1.135 1.00 0.00 H new ATOM 569 N ARG A 36 -3.021 -8.103 -1.555 1.00 0.00 N ATOM 570 CA ARG A 36 -4.342 -7.496 -1.317 1.00 0.00 C ATOM 571 C ARG A 36 -4.923 -7.826 0.075 1.00 0.00 C ATOM 572 O ARG A 36 -6.138 -7.791 0.256 1.00 0.00 O ATOM 573 CB ARG A 36 -5.360 -7.836 -2.431 1.00 0.00 C ATOM 574 CG ARG A 36 -4.789 -7.805 -3.857 1.00 0.00 C ATOM 575 CD ARG A 36 -5.896 -7.822 -4.921 1.00 0.00 C ATOM 576 NE ARG A 36 -6.580 -9.126 -4.936 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.562 -10.056 -5.882 1.00 0.00 C ATOM 578 NH1 ARG A 36 -5.985 -9.885 -7.053 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.149 -11.210 -5.647 1.00 0.00 N ATOM 0 H ARG A 36 -2.277 -7.406 -1.596 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.167 -6.420 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.769 -8.828 -2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.190 -7.133 -2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.178 -6.911 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.132 -8.663 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.616 -7.030 -4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.468 -7.618 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.141 -9.342 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.521 -9.002 -7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.001 -10.635 -7.744 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.607 -11.376 -4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.146 -11.938 -6.361 1.00 0.00 H new ATOM 593 N ASP A 37 -4.081 -8.136 1.060 1.00 0.00 N ATOM 594 CA ASP A 37 -4.454 -8.557 2.420 1.00 0.00 C ATOM 595 C ASP A 37 -3.958 -7.544 3.460 1.00 0.00 C ATOM 596 O ASP A 37 -2.752 -7.294 3.561 1.00 0.00 O ATOM 597 CB ASP A 37 -3.867 -9.952 2.696 1.00 0.00 C ATOM 598 CG ASP A 37 -4.075 -10.467 4.132 1.00 0.00 C ATOM 599 OD1 ASP A 37 -4.971 -9.965 4.851 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.307 -11.376 4.527 1.00 0.00 O ATOM 0 H ASP A 37 -3.070 -8.100 0.930 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.540 -8.602 2.496 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.315 -10.663 2.002 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.798 -9.929 2.484 1.00 0.00 H new ATOM 605 N THR A 38 -4.887 -6.957 4.229 1.00 0.00 N ATOM 606 CA THR A 38 -4.534 -5.966 5.264 1.00 0.00 C ATOM 607 C THR A 38 -3.795 -6.596 6.436 1.00 0.00 C ATOM 608 O THR A 38 -2.992 -5.920 7.066 1.00 0.00 O ATOM 609 CB THR A 38 -5.721 -5.161 5.805 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.710 -5.991 6.348 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.391 -4.292 4.750 1.00 0.00 C ATOM 0 H THR A 38 -5.886 -7.149 4.156 1.00 0.00 H new ATOM 0 HA THR A 38 -3.878 -5.270 4.740 1.00 0.00 H new ATOM 0 HB THR A 38 -5.287 -4.522 6.574 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.374 -5.444 6.818 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.223 -3.750 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.667 -3.581 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.763 -4.922 3.942 1.00 0.00 H new ATOM 619 N SER A 39 -3.992 -7.884 6.714 1.00 0.00 N ATOM 620 CA SER A 39 -3.339 -8.583 7.828 1.00 0.00 C ATOM 621 C SER A 39 -1.860 -8.929 7.560 1.00 0.00 C ATOM 622 O SER A 39 -1.182 -9.468 8.438 1.00 0.00 O ATOM 623 CB SER A 39 -4.115 -9.867 8.158 1.00 0.00 C ATOM 624 OG SER A 39 -5.441 -9.601 8.600 1.00 0.00 O ATOM 0 H SER A 39 -4.615 -8.480 6.169 1.00 0.00 H new ATOM 0 HA SER A 39 -3.350 -7.895 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.150 -10.504 7.274 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.582 -10.422 8.930 1.00 0.00 H new ATOM 0 HG SER A 39 -5.896 -10.446 8.796 1.00 0.00 H new ATOM 630 N LYS A 40 -1.336 -8.650 6.358 1.00 0.00 N ATOM 631 CA LYS A 40 0.000 -9.083 5.941 1.00 0.00 C ATOM 632 C LYS A 40 1.136 -8.272 6.595 1.00 0.00 C ATOM 633 O LYS A 40 1.074 -7.039 6.687 1.00 0.00 O ATOM 634 CB LYS A 40 0.083 -9.044 4.403 1.00 0.00 C ATOM 635 CG LYS A 40 1.158 -9.989 3.832 1.00 0.00 C ATOM 636 CD LYS A 40 0.692 -11.454 3.802 1.00 0.00 C ATOM 637 CE LYS A 40 -0.332 -11.674 2.677 1.00 0.00 C ATOM 638 NZ LYS A 40 -1.319 -12.732 3.013 1.00 0.00 N ATOM 0 H LYS A 40 -1.832 -8.114 5.646 1.00 0.00 H new ATOM 0 HA LYS A 40 0.146 -10.105 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.887 -9.313 3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.296 -8.024 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.418 -9.672 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.064 -9.911 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.549 -12.111 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.249 -11.720 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.857 -10.740 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.191 -11.946 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.700 -13.143 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.854 -13.476 3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.096 -12.319 3.567 1.00 0.00 H new ATOM 652 N THR A 41 2.212 -8.974 6.964 1.00 0.00 N ATOM 653 CA THR A 41 3.437 -8.433 7.582 1.00 0.00 C ATOM 654 C THR A 41 4.684 -9.152 7.092 1.00 0.00 C ATOM 655 O THR A 41 4.630 -10.312 6.684 1.00 0.00 O ATOM 656 CB THR A 41 3.412 -8.507 9.118 1.00 0.00 C ATOM 657 OG1 THR A 41 3.064 -9.815 9.523 1.00 0.00 O ATOM 658 CG2 THR A 41 2.468 -7.522 9.795 1.00 0.00 C ATOM 0 H THR A 41 2.259 -9.985 6.836 1.00 0.00 H new ATOM 0 HA THR A 41 3.469 -7.387 7.279 1.00 0.00 H new ATOM 0 HB THR A 41 4.418 -8.233 9.435 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.050 -9.862 10.502 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.521 -7.651 10.876 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.758 -6.504 9.537 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.448 -7.705 9.458 1.00 0.00 H new ATOM 666 N ASN A 42 5.818 -8.453 7.178 1.00 0.00 N ATOM 667 CA ASN A 42 7.144 -8.944 6.793 1.00 0.00 C ATOM 668 C ASN A 42 8.252 -8.279 7.631 1.00 0.00 C ATOM 669 O ASN A 42 8.279 -7.053 7.757 1.00 0.00 O ATOM 670 CB ASN A 42 7.380 -8.661 5.297 1.00 0.00 C ATOM 671 CG ASN A 42 6.620 -9.601 4.366 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.038 -10.726 4.116 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.509 -9.160 3.804 1.00 0.00 N ATOM 0 H ASN A 42 5.839 -7.496 7.530 1.00 0.00 H new ATOM 0 HA ASN A 42 7.180 -10.017 6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.086 -7.634 5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.446 -8.739 5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.993 -9.757 3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.167 -8.223 4.017 1.00 0.00 H new ATOM 680 N THR A 43 9.169 -9.071 8.204 1.00 0.00 N ATOM 681 CA THR A 43 10.329 -8.582 8.980 1.00 0.00 C ATOM 682 C THR A 43 11.494 -8.278 8.039 1.00 0.00 C ATOM 683 O THR A 43 11.722 -9.007 7.072 1.00 0.00 O ATOM 684 CB THR A 43 10.765 -9.617 10.026 1.00 0.00 C ATOM 685 OG1 THR A 43 9.633 -10.091 10.724 1.00 0.00 O ATOM 686 CG2 THR A 43 11.718 -9.023 11.066 1.00 0.00 C ATOM 0 H THR A 43 9.129 -10.088 8.143 1.00 0.00 H new ATOM 0 HA THR A 43 10.033 -7.670 9.499 1.00 0.00 H new ATOM 0 HB THR A 43 11.274 -10.415 9.485 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.753 -9.937 11.684 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.998 -9.793 11.784 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.612 -8.648 10.568 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.223 -8.204 11.587 1.00 0.00 H new ATOM 694 N ASN A 44 12.246 -7.220 8.335 1.00 0.00 N ATOM 695 CA ASN A 44 13.419 -6.775 7.576 1.00 0.00 C ATOM 696 C ASN A 44 14.732 -7.180 8.268 1.00 0.00 C ATOM 697 O ASN A 44 14.792 -7.329 9.492 1.00 0.00 O ATOM 698 CB ASN A 44 13.370 -5.247 7.399 1.00 0.00 C ATOM 699 CG ASN A 44 12.139 -4.784 6.626 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.170 -4.625 5.411 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.038 -4.555 7.314 1.00 0.00 N ATOM 0 H ASN A 44 12.050 -6.625 9.140 1.00 0.00 H new ATOM 0 HA ASN A 44 13.394 -7.262 6.601 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.379 -4.771 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.268 -4.917 6.876 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.194 -4.240 6.836 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.030 -4.693 8.325 1.00 0.00 H new ATOM 708 N ARG A 45 15.819 -7.266 7.490 1.00 0.00 N ATOM 709 CA ARG A 45 17.178 -7.569 7.991 1.00 0.00 C ATOM 710 C ARG A 45 17.720 -6.496 8.955 1.00 0.00 C ATOM 711 O ARG A 45 18.576 -6.782 9.793 1.00 0.00 O ATOM 712 CB ARG A 45 18.155 -7.754 6.815 1.00 0.00 C ATOM 713 CG ARG A 45 17.702 -8.862 5.850 1.00 0.00 C ATOM 714 CD ARG A 45 18.730 -9.142 4.744 1.00 0.00 C ATOM 715 NE ARG A 45 19.953 -9.776 5.272 1.00 0.00 N ATOM 716 CZ ARG A 45 21.067 -10.023 4.591 1.00 0.00 C ATOM 717 NH1 ARG A 45 21.193 -9.710 3.317 1.00 0.00 N ATOM 718 NH2 ARG A 45 22.084 -10.601 5.193 1.00 0.00 N ATOM 0 H ARG A 45 15.785 -7.126 6.480 1.00 0.00 H new ATOM 0 HA ARG A 45 17.098 -8.497 8.557 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.246 -6.815 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.145 -7.995 7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.522 -9.778 6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.754 -8.576 5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.283 -9.789 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.992 -8.208 4.248 1.00 0.00 H new ATOM 0 HE ARG A 45 19.942 -10.051 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.421 -9.263 2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.063 -9.914 2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.015 -10.857 6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.941 -10.793 4.675 1.00 0.00 H new ATOM 732 N ASN A 46 17.179 -5.277 8.866 1.00 0.00 N ATOM 733 CA ASN A 46 17.491 -4.132 9.735 1.00 0.00 C ATOM 734 C ASN A 46 16.673 -4.110 11.057 1.00 0.00 C ATOM 735 O ASN A 46 16.783 -3.168 11.846 1.00 0.00 O ATOM 736 CB ASN A 46 17.308 -2.852 8.891 1.00 0.00 C ATOM 737 CG ASN A 46 18.041 -1.620 9.426 1.00 0.00 C ATOM 738 OD1 ASN A 46 18.935 -1.693 10.260 1.00 0.00 O ATOM 739 ND2 ASN A 46 17.685 -0.441 8.946 1.00 0.00 N ATOM 0 H ASN A 46 16.482 -5.049 8.157 1.00 0.00 H new ATOM 0 HA ASN A 46 18.522 -4.210 10.080 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.653 -3.050 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.244 -2.625 8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.154 0.405 9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.941 -0.377 8.251 1.00 0.00 H new ATOM 746 N GLY A 47 15.831 -5.126 11.309 1.00 0.00 N ATOM 747 CA GLY A 47 15.104 -5.345 12.573 1.00 0.00 C ATOM 748 C GLY A 47 13.739 -4.654 12.686 1.00 0.00 C ATOM 749 O GLY A 47 13.046 -4.838 13.684 1.00 0.00 O ATOM 0 H GLY A 47 15.630 -5.844 10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.960 -6.417 12.706 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.732 -5.003 13.396 1.00 0.00 H new ATOM 753 N SER A 48 13.337 -3.874 11.686 1.00 0.00 N ATOM 754 CA SER A 48 11.992 -3.294 11.562 1.00 0.00 C ATOM 755 C SER A 48 11.016 -4.264 10.865 1.00 0.00 C ATOM 756 O SER A 48 11.427 -5.221 10.203 1.00 0.00 O ATOM 757 CB SER A 48 12.096 -1.968 10.797 1.00 0.00 C ATOM 758 OG SER A 48 12.773 -2.136 9.555 1.00 0.00 O ATOM 0 H SER A 48 13.952 -3.617 10.914 1.00 0.00 H new ATOM 0 HA SER A 48 11.589 -3.111 12.558 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.097 -1.570 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.626 -1.236 11.406 1.00 0.00 H new ATOM 0 HG SER A 48 12.822 -1.275 9.090 1.00 0.00 H new ATOM 764 N LYS A 49 9.709 -4.017 10.977 1.00 0.00 N ATOM 765 CA LYS A 49 8.655 -4.811 10.330 1.00 0.00 C ATOM 766 C LYS A 49 7.734 -3.925 9.475 1.00 0.00 C ATOM 767 O LYS A 49 7.529 -2.738 9.746 1.00 0.00 O ATOM 768 CB LYS A 49 7.862 -5.605 11.389 1.00 0.00 C ATOM 769 CG LYS A 49 7.283 -6.942 10.903 1.00 0.00 C ATOM 770 CD LYS A 49 6.351 -7.533 11.973 1.00 0.00 C ATOM 771 CE LYS A 49 5.990 -9.004 11.714 1.00 0.00 C ATOM 772 NZ LYS A 49 7.090 -9.930 12.086 1.00 0.00 N ATOM 0 H LYS A 49 9.343 -3.243 11.532 1.00 0.00 H new ATOM 0 HA LYS A 49 9.124 -5.525 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.515 -5.798 12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.043 -4.982 11.750 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.734 -6.793 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.091 -7.641 10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.829 -7.449 12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.436 -6.943 12.015 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.095 -9.261 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.748 -9.136 10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.744 -10.910 12.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.878 -9.820 11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.419 -9.709 13.048 1.00 0.00 H new ATOM 786 N ASP A 50 7.183 -4.538 8.438 1.00 0.00 N ATOM 787 CA ASP A 50 6.250 -3.955 7.480 1.00 0.00 C ATOM 788 C ASP A 50 4.817 -4.404 7.801 1.00 0.00 C ATOM 789 O ASP A 50 4.621 -5.536 8.240 1.00 0.00 O ATOM 790 CB ASP A 50 6.620 -4.434 6.071 1.00 0.00 C ATOM 791 CG ASP A 50 8.034 -4.063 5.582 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.715 -3.211 6.201 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.469 -4.659 4.570 1.00 0.00 O ATOM 0 H ASP A 50 7.387 -5.515 8.229 1.00 0.00 H new ATOM 0 HA ASP A 50 6.307 -2.868 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.519 -5.519 6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.895 -4.025 5.367 1.00 0.00 H new ATOM 798 N TYR A 51 3.825 -3.537 7.573 1.00 0.00 N ATOM 799 CA TYR A 51 2.424 -3.725 7.981 1.00 0.00 C ATOM 800 C TYR A 51 1.416 -3.167 6.959 1.00 0.00 C ATOM 801 O TYR A 51 1.664 -2.149 6.308 1.00 0.00 O ATOM 802 CB TYR A 51 2.185 -3.006 9.319 1.00 0.00 C ATOM 803 CG TYR A 51 3.024 -3.466 10.492 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.299 -2.908 10.702 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.499 -4.377 11.428 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.047 -3.262 11.836 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.241 -4.735 12.569 1.00 0.00 C ATOM 808 CZ TYR A 51 4.521 -4.173 12.780 1.00 0.00 C ATOM 809 OH TYR A 51 5.248 -4.504 13.884 1.00 0.00 O ATOM 0 H TYR A 51 3.978 -2.655 7.083 1.00 0.00 H new ATOM 0 HA TYR A 51 2.264 -4.800 8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.362 -1.941 9.170 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.134 -3.121 9.585 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.703 -2.205 9.988 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.520 -4.804 11.269 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.028 -2.837 11.988 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.834 -5.437 13.281 1.00 0.00 H new ATOM 0 HH TYR A 51 4.741 -5.141 14.431 1.00 0.00 H new ATOM 819 N GLY A 52 0.243 -3.798 6.852 1.00 0.00 N ATOM 820 CA GLY A 52 -0.875 -3.297 6.044 1.00 0.00 C ATOM 821 C GLY A 52 -0.691 -3.503 4.544 1.00 0.00 C ATOM 822 O GLY A 52 0.316 -4.041 4.092 1.00 0.00 O ATOM 0 H GLY A 52 0.040 -4.678 7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.791 -3.795 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.006 -2.233 6.242 1.00 0.00 H new ATOM 826 N LEU A 53 -1.659 -3.028 3.758 1.00 0.00 N ATOM 827 CA LEU A 53 -1.784 -3.331 2.323 1.00 0.00 C ATOM 828 C LEU A 53 -0.680 -2.800 1.398 1.00 0.00 C ATOM 829 O LEU A 53 -0.560 -3.250 0.258 1.00 0.00 O ATOM 830 CB LEU A 53 -3.140 -2.777 1.842 1.00 0.00 C ATOM 831 CG LEU A 53 -3.827 -3.746 0.873 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.714 -4.697 1.661 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.708 -3.008 -0.122 1.00 0.00 C ATOM 0 H LEU A 53 -2.394 -2.410 4.103 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.694 -4.415 2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.787 -2.599 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.989 -1.815 1.351 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.048 -4.283 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.205 -5.388 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.106 -5.259 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.468 -4.126 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.179 -3.726 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.478 -2.454 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.099 -2.314 -0.702 1.00 0.00 H new ATOM 845 N PHE A 54 0.136 -1.878 1.895 1.00 0.00 N ATOM 846 CA PHE A 54 1.283 -1.307 1.187 1.00 0.00 C ATOM 847 C PHE A 54 2.612 -1.679 1.874 1.00 0.00 C ATOM 848 O PHE A 54 3.626 -1.041 1.602 1.00 0.00 O ATOM 849 CB PHE A 54 1.066 0.211 1.045 1.00 0.00 C ATOM 850 CG PHE A 54 -0.193 0.605 0.288 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.431 0.659 0.957 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.135 0.919 -1.084 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.603 1.005 0.266 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.305 1.288 -1.770 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.540 1.330 -1.099 1.00 0.00 C ATOM 0 H PHE A 54 0.016 -1.493 2.832 1.00 0.00 H new ATOM 0 HA PHE A 54 1.358 -1.731 0.186 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.029 0.654 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.929 0.642 0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.479 0.432 2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.808 0.876 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.551 1.021 0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.255 1.541 -2.819 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.437 1.611 -1.631 1.00 0.00 H new ATOM 865 N GLN A 55 2.605 -2.675 2.775 1.00 0.00 N ATOM 866 CA GLN A 55 3.758 -3.139 3.564 1.00 0.00 C ATOM 867 C GLN A 55 4.558 -1.955 4.162 1.00 0.00 C ATOM 868 O GLN A 55 5.746 -1.759 3.897 1.00 0.00 O ATOM 869 CB GLN A 55 4.633 -4.112 2.736 1.00 0.00 C ATOM 870 CG GLN A 55 4.098 -5.540 2.564 1.00 0.00 C ATOM 871 CD GLN A 55 3.545 -6.169 3.843 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.271 -6.705 4.668 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.252 -6.115 4.073 1.00 0.00 N ATOM 0 H GLN A 55 1.757 -3.203 2.983 1.00 0.00 H new ATOM 0 HA GLN A 55 3.385 -3.703 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.778 -3.681 1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.615 -4.170 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.312 -5.531 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.900 -6.171 2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.632 -5.672 3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.869 -6.516 4.929 1.00 0.00 H new ATOM 882 N ILE A 56 3.877 -1.119 4.947 1.00 0.00 N ATOM 883 CA ILE A 56 4.401 0.147 5.480 1.00 0.00 C ATOM 884 C ILE A 56 5.232 -0.121 6.740 1.00 0.00 C ATOM 885 O ILE A 56 4.801 -0.862 7.622 1.00 0.00 O ATOM 886 CB ILE A 56 3.249 1.144 5.750 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.291 1.225 4.536 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.839 2.524 6.040 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.189 2.284 4.620 1.00 0.00 C ATOM 0 H ILE A 56 2.918 -1.306 5.240 1.00 0.00 H new ATOM 0 HA ILE A 56 5.055 0.605 4.738 1.00 0.00 H new ATOM 0 HB ILE A 56 2.676 0.796 6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.885 1.417 3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.821 0.250 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.032 3.232 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.486 2.466 6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.420 2.859 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.581 2.249 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.560 2.087 5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.640 3.272 4.715 1.00 0.00 H new ATOM 901 N ASN A 57 6.417 0.483 6.835 1.00 0.00 N ATOM 902 CA ASN A 57 7.407 0.149 7.860 1.00 0.00 C ATOM 903 C ASN A 57 7.355 1.067 9.096 1.00 0.00 C ATOM 904 O ASN A 57 7.265 2.295 8.982 1.00 0.00 O ATOM 905 CB ASN A 57 8.786 0.191 7.206 1.00 0.00 C ATOM 906 CG ASN A 57 9.876 -0.340 8.122 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.408 0.378 8.956 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.236 -1.598 7.984 1.00 0.00 N ATOM 0 H ASN A 57 6.719 1.222 6.200 1.00 0.00 H new ATOM 0 HA ASN A 57 7.181 -0.847 8.242 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.768 -0.396 6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.020 1.217 6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.969 -1.987 8.578 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.782 -2.184 7.283 1.00 0.00 H new ATOM 915 N ASP A 58 7.473 0.455 10.277 1.00 0.00 N ATOM 916 CA ASP A 58 7.365 1.106 11.594 1.00 0.00 C ATOM 917 C ASP A 58 8.453 2.143 11.946 1.00 0.00 C ATOM 918 O ASP A 58 8.309 2.889 12.919 1.00 0.00 O ATOM 919 CB ASP A 58 7.319 0.043 12.697 1.00 0.00 C ATOM 920 CG ASP A 58 8.691 -0.586 13.015 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.410 -0.063 13.900 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.040 -1.613 12.394 1.00 0.00 O ATOM 0 H ASP A 58 7.653 -0.546 10.350 1.00 0.00 H new ATOM 0 HA ASP A 58 6.440 1.679 11.528 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.917 0.493 13.605 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.629 -0.746 12.399 1.00 0.00 H new ATOM 927 N ARG A 59 9.548 2.184 11.181 1.00 0.00 N ATOM 928 CA ARG A 59 10.690 3.068 11.431 1.00 0.00 C ATOM 929 C ARG A 59 10.547 4.436 10.751 1.00 0.00 C ATOM 930 O ARG A 59 11.255 5.379 11.109 1.00 0.00 O ATOM 931 CB ARG A 59 11.958 2.325 10.989 1.00 0.00 C ATOM 932 CG ARG A 59 13.263 2.990 11.453 1.00 0.00 C ATOM 933 CD ARG A 59 14.438 2.003 11.418 1.00 0.00 C ATOM 934 NE ARG A 59 14.324 0.983 12.480 1.00 0.00 N ATOM 935 CZ ARG A 59 15.048 -0.125 12.587 1.00 0.00 C ATOM 936 NH1 ARG A 59 16.005 -0.417 11.736 1.00 0.00 N ATOM 937 NH2 ARG A 59 14.820 -0.975 13.562 1.00 0.00 N ATOM 0 H ARG A 59 9.668 1.594 10.357 1.00 0.00 H new ATOM 0 HA ARG A 59 10.744 3.299 12.495 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.924 1.306 11.375 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.965 2.254 9.901 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.485 3.845 10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.138 3.373 12.466 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.473 1.513 10.445 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.375 2.548 11.535 1.00 0.00 H new ATOM 0 HE ARG A 59 13.621 1.145 13.201 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.211 0.216 10.963 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.542 -1.277 11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.084 -0.786 14.242 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.379 -1.824 13.639 1.00 0.00 H new ATOM 951 N TYR A 60 9.598 4.585 9.822 1.00 0.00 N ATOM 952 CA TYR A 60 9.509 5.748 8.928 1.00 0.00 C ATOM 953 C TYR A 60 8.116 6.390 8.857 1.00 0.00 C ATOM 954 O TYR A 60 7.954 7.550 9.242 1.00 0.00 O ATOM 955 CB TYR A 60 9.993 5.304 7.534 1.00 0.00 C ATOM 956 CG TYR A 60 11.400 4.718 7.529 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.497 5.493 7.953 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.600 3.370 7.172 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.786 4.927 8.024 1.00 0.00 C ATOM 960 CE2 TYR A 60 12.883 2.795 7.242 1.00 0.00 C ATOM 961 CZ TYR A 60 13.982 3.571 7.674 1.00 0.00 C ATOM 962 OH TYR A 60 15.218 3.006 7.765 1.00 0.00 O ATOM 0 H TYR A 60 8.862 3.896 9.666 1.00 0.00 H new ATOM 0 HA TYR A 60 10.143 6.535 9.336 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.299 4.562 7.138 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.964 6.160 6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.350 6.528 8.225 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.763 2.773 6.842 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.623 5.529 8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.027 1.761 6.966 1.00 0.00 H new ATOM 0 HH TYR A 60 15.170 2.068 7.486 1.00 0.00 H new ATOM 972 N TRP A 61 7.111 5.641 8.396 1.00 0.00 N ATOM 973 CA TRP A 61 5.798 6.180 8.026 1.00 0.00 C ATOM 974 C TRP A 61 4.730 5.934 9.105 1.00 0.00 C ATOM 975 O TRP A 61 4.086 6.882 9.556 1.00 0.00 O ATOM 976 CB TRP A 61 5.416 5.552 6.679 1.00 0.00 C ATOM 977 CG TRP A 61 6.473 5.543 5.613 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.103 4.438 5.158 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.030 6.660 4.847 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.022 4.786 4.190 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.003 6.141 3.940 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.797 8.052 4.807 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.700 6.956 3.034 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.491 8.880 3.902 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.438 8.337 3.016 1.00 0.00 C ATOM 0 H TRP A 61 7.186 4.632 8.267 1.00 0.00 H new ATOM 0 HA TRP A 61 5.854 7.265 7.938 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.107 4.523 6.860 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.547 6.083 6.291 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.915 3.431 5.501 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.638 4.124 3.719 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.075 8.489 5.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.427 6.528 2.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.293 9.942 3.889 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.963 8.979 2.324 1.00 0.00 H new ATOM 996 N CYS A 62 4.577 4.681 9.550 1.00 0.00 N ATOM 997 CA CYS A 62 3.729 4.278 10.683 1.00 0.00 C ATOM 998 C CYS A 62 4.536 4.025 11.971 1.00 0.00 C ATOM 999 O CYS A 62 5.759 3.968 11.939 1.00 0.00 O ATOM 1000 CB CYS A 62 2.907 3.043 10.290 1.00 0.00 C ATOM 1001 SG CYS A 62 3.849 1.702 9.521 1.00 0.00 S ATOM 0 H CYS A 62 5.056 3.891 9.118 1.00 0.00 H new ATOM 0 HA CYS A 62 3.057 5.106 10.909 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.415 2.655 11.182 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.121 3.354 9.602 1.00 0.00 H new ATOM 0 HG CYS A 62 3.049 0.717 9.237 1.00 0.00 H new ATOM 1006 N SER A 63 3.850 3.874 13.107 1.00 0.00 N ATOM 1007 CA SER A 63 4.427 3.658 14.447 1.00 0.00 C ATOM 1008 C SER A 63 4.021 2.301 15.039 1.00 0.00 C ATOM 1009 O SER A 63 2.838 1.955 15.043 1.00 0.00 O ATOM 1010 CB SER A 63 3.918 4.751 15.396 1.00 0.00 C ATOM 1011 OG SER A 63 4.504 4.627 16.682 1.00 0.00 O ATOM 0 H SER A 63 2.830 3.899 13.124 1.00 0.00 H new ATOM 0 HA SER A 63 5.512 3.686 14.342 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.148 5.732 14.982 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.833 4.687 15.480 1.00 0.00 H new ATOM 0 HG SER A 63 3.862 4.917 17.363 1.00 0.00 H new ATOM 1017 N LYS A 64 4.979 1.536 15.575 1.00 0.00 N ATOM 1018 CA LYS A 64 4.727 0.237 16.231 1.00 0.00 C ATOM 1019 C LYS A 64 4.307 0.327 17.712 1.00 0.00 C ATOM 1020 O LYS A 64 3.937 -0.689 18.308 1.00 0.00 O ATOM 1021 CB LYS A 64 5.970 -0.663 16.109 1.00 0.00 C ATOM 1022 CG LYS A 64 7.237 0.003 16.672 1.00 0.00 C ATOM 1023 CD LYS A 64 8.305 -1.040 16.998 1.00 0.00 C ATOM 1024 CE LYS A 64 9.610 -0.324 17.352 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.692 -1.284 17.697 1.00 0.00 N ATOM 0 H LYS A 64 5.964 1.800 15.568 1.00 0.00 H new ATOM 0 HA LYS A 64 3.874 -0.190 15.703 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.790 -1.599 16.638 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.131 -0.915 15.061 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.630 0.717 15.948 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.987 0.566 17.571 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.980 -1.664 17.831 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.458 -1.701 16.145 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.926 0.292 16.510 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.439 0.348 18.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.559 -0.760 17.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.401 -1.855 18.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.873 -1.909 16.886 1.00 0.00 H new ATOM 1039 N GLY A 65 4.423 1.512 18.326 1.00 0.00 N ATOM 1040 CA GLY A 65 4.268 1.713 19.772 1.00 0.00 C ATOM 1041 C GLY A 65 2.806 1.760 20.223 1.00 0.00 C ATOM 1042 O GLY A 65 1.911 1.288 19.523 1.00 0.00 O ATOM 0 H GLY A 65 4.631 2.374 17.822 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.778 0.908 20.301 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.759 2.643 20.057 1.00 0.00 H new ATOM 1046 N ALA A 66 2.558 2.335 21.403 1.00 0.00 N ATOM 1047 CA ALA A 66 1.213 2.461 21.982 1.00 0.00 C ATOM 1048 C ALA A 66 0.347 3.561 21.327 1.00 0.00 C ATOM 1049 O ALA A 66 -0.852 3.643 21.595 1.00 0.00 O ATOM 1050 CB ALA A 66 1.370 2.685 23.492 1.00 0.00 C ATOM 0 H ALA A 66 3.291 2.731 21.991 1.00 0.00 H new ATOM 0 HA ALA A 66 0.667 1.539 21.783 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.386 2.782 23.950 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.893 1.837 23.933 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.943 3.595 23.667 1.00 0.00 H new ATOM 1056 N SER A 67 0.929 4.378 20.446 1.00 0.00 N ATOM 1057 CA SER A 67 0.315 5.583 19.864 1.00 0.00 C ATOM 1058 C SER A 67 0.867 5.876 18.451 1.00 0.00 C ATOM 1059 O SER A 67 2.028 5.542 18.175 1.00 0.00 O ATOM 1060 CB SER A 67 0.599 6.807 20.757 1.00 0.00 C ATOM 1061 OG SER A 67 -0.032 6.709 22.029 1.00 0.00 O ATOM 0 H SER A 67 1.876 4.216 20.103 1.00 0.00 H new ATOM 0 HA SER A 67 -0.757 5.398 19.797 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.675 6.910 20.895 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.254 7.709 20.252 1.00 0.00 H new ATOM 0 HG SER A 67 0.177 7.505 22.560 1.00 0.00 H new ATOM 1067 N PRO A 68 0.076 6.515 17.561 1.00 0.00 N ATOM 1068 CA PRO A 68 0.565 7.039 16.287 1.00 0.00 C ATOM 1069 C PRO A 68 1.527 8.211 16.542 1.00 0.00 C ATOM 1070 O PRO A 68 1.366 8.951 17.516 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.688 7.482 15.526 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.657 7.878 16.635 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.326 6.881 17.745 1.00 0.00 C ATOM 0 HA PRO A 68 1.126 6.302 15.712 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.478 8.318 14.859 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.090 6.677 14.911 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.504 8.908 16.957 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.695 7.796 16.314 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.486 7.325 18.727 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.969 6.003 17.683 1.00 0.00 H new ATOM 1081 N GLY A 69 2.540 8.378 15.682 1.00 0.00 N ATOM 1082 CA GLY A 69 3.617 9.352 15.943 1.00 0.00 C ATOM 1083 C GLY A 69 4.831 9.316 15.012 1.00 0.00 C ATOM 1084 O GLY A 69 5.931 9.672 15.433 1.00 0.00 O ATOM 0 H GLY A 69 2.640 7.860 14.809 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.186 10.352 15.899 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.969 9.202 16.964 1.00 0.00 H new ATOM 1088 N LYS A 70 4.641 8.903 13.756 1.00 0.00 N ATOM 1089 CA LYS A 70 5.667 8.900 12.696 1.00 0.00 C ATOM 1090 C LYS A 70 5.240 9.804 11.520 1.00 0.00 C ATOM 1091 O LYS A 70 4.281 10.568 11.657 1.00 0.00 O ATOM 1092 CB LYS A 70 5.970 7.434 12.324 1.00 0.00 C ATOM 1093 CG LYS A 70 6.831 6.738 13.397 1.00 0.00 C ATOM 1094 CD LYS A 70 8.306 6.542 13.015 1.00 0.00 C ATOM 1095 CE LYS A 70 9.050 7.866 12.782 1.00 0.00 C ATOM 1096 NZ LYS A 70 10.523 7.667 12.703 1.00 0.00 N ATOM 0 H LYS A 70 3.741 8.549 13.433 1.00 0.00 H new ATOM 0 HA LYS A 70 6.604 9.338 13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.034 6.890 12.199 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.488 7.402 11.365 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.783 7.323 14.316 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.395 5.763 13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.809 5.984 13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.363 5.936 12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.695 8.324 11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.820 8.559 13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.965 8.510 12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.905 7.515 13.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.730 6.837 12.112 1.00 0.00 H new ATOM 1110 N ASP A 71 5.928 9.756 10.374 1.00 0.00 N ATOM 1111 CA ASP A 71 5.759 10.745 9.291 1.00 0.00 C ATOM 1112 C ASP A 71 4.326 10.850 8.730 1.00 0.00 C ATOM 1113 O ASP A 71 3.905 11.934 8.325 1.00 0.00 O ATOM 1114 CB ASP A 71 6.764 10.464 8.165 1.00 0.00 C ATOM 1115 CG ASP A 71 6.817 11.622 7.154 1.00 0.00 C ATOM 1116 OD1 ASP A 71 7.459 12.653 7.466 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.221 11.500 6.058 1.00 0.00 O ATOM 0 H ASP A 71 6.618 9.034 10.166 1.00 0.00 H new ATOM 0 HA ASP A 71 5.957 11.718 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.755 10.306 8.591 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.488 9.543 7.651 1.00 0.00 H new ATOM 1122 N CYS A 72 3.551 9.761 8.769 1.00 0.00 N ATOM 1123 CA CYS A 72 2.155 9.719 8.309 1.00 0.00 C ATOM 1124 C CYS A 72 1.122 9.705 9.451 1.00 0.00 C ATOM 1125 O CYS A 72 -0.069 9.535 9.194 1.00 0.00 O ATOM 1126 CB CYS A 72 2.001 8.545 7.340 1.00 0.00 C ATOM 1127 SG CYS A 72 3.075 8.691 5.882 1.00 0.00 S ATOM 0 H CYS A 72 3.881 8.865 9.128 1.00 0.00 H new ATOM 0 HA CYS A 72 1.934 10.649 7.785 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.229 7.616 7.862 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.962 8.481 7.016 1.00 0.00 H new ATOM 0 HG CYS A 72 4.254 8.221 6.163 1.00 0.00 H new ATOM 1132 N ASN A 73 1.559 9.889 10.706 1.00 0.00 N ATOM 1133 CA ASN A 73 0.714 10.079 11.894 1.00 0.00 C ATOM 1134 C ASN A 73 -0.326 8.949 12.075 1.00 0.00 C ATOM 1135 O ASN A 73 -1.524 9.185 12.236 1.00 0.00 O ATOM 1136 CB ASN A 73 0.112 11.499 11.877 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.555 11.881 13.200 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.201 11.399 14.270 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.537 12.766 13.167 1.00 0.00 N ATOM 0 H ASN A 73 2.554 9.910 10.930 1.00 0.00 H new ATOM 0 HA ASN A 73 1.335 10.002 12.787 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.899 12.219 11.652 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.621 11.567 11.074 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.999 13.047 14.032 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.832 13.167 12.277 1.00 0.00 H new ATOM 1146 N VAL A 74 0.152 7.701 12.003 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.664 6.479 11.967 1.00 0.00 C ATOM 1148 C VAL A 74 0.093 5.317 12.616 1.00 0.00 C ATOM 1149 O VAL A 74 1.315 5.227 12.525 1.00 0.00 O ATOM 1150 CB VAL A 74 -1.111 6.174 10.513 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.058 5.818 9.577 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.164 5.059 10.470 1.00 0.00 C ATOM 0 H VAL A 74 1.153 7.506 11.967 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.573 6.627 12.550 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.551 7.101 10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.325 5.616 8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.758 6.652 9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.570 4.933 9.955 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.454 4.872 9.436 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.747 4.148 10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.040 5.363 11.043 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.629 4.446 13.314 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.088 3.291 14.037 1.00 0.00 C ATOM 1164 C LYS A 75 -0.146 2.020 13.166 1.00 0.00 C ATOM 1165 O LYS A 75 -1.172 1.740 12.549 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.889 3.172 15.347 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.126 2.483 16.485 1.00 0.00 C ATOM 1168 CD LYS A 75 -0.879 2.537 17.827 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.043 1.543 17.971 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.366 2.124 17.619 1.00 0.00 N ATOM 0 H LYS A 75 -1.643 4.524 13.397 1.00 0.00 H new ATOM 0 HA LYS A 75 0.968 3.421 14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.183 4.170 15.673 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.807 2.617 15.151 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.055 1.442 16.217 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.849 2.956 16.601 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.166 2.355 18.632 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.266 3.546 17.967 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.853 0.679 17.334 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.076 1.181 18.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.122 1.540 18.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.432 3.091 17.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.471 2.148 16.585 1.00 0.00 H new ATOM 1184 N CYS A 76 0.934 1.232 13.121 1.00 0.00 N ATOM 1185 CA CYS A 76 1.059 -0.030 12.363 1.00 0.00 C ATOM 1186 C CYS A 76 -0.125 -0.995 12.559 1.00 0.00 C ATOM 1187 O CYS A 76 -0.557 -1.642 11.612 1.00 0.00 O ATOM 1188 CB CYS A 76 2.353 -0.730 12.800 1.00 0.00 C ATOM 1189 SG CYS A 76 3.874 0.195 12.508 1.00 0.00 S ATOM 0 H CYS A 76 1.786 1.462 13.633 1.00 0.00 H new ATOM 0 HA CYS A 76 1.071 0.231 11.305 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.283 -0.953 13.865 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.423 -1.684 12.278 1.00 0.00 H new ATOM 0 HG CYS A 76 3.966 0.492 11.246 1.00 0.00 H new ATOM 1194 N SER A 77 -0.689 -1.064 13.768 1.00 0.00 N ATOM 1195 CA SER A 77 -1.842 -1.928 14.078 1.00 0.00 C ATOM 1196 C SER A 77 -3.157 -1.461 13.415 1.00 0.00 C ATOM 1197 O SER A 77 -3.965 -2.290 12.994 1.00 0.00 O ATOM 1198 CB SER A 77 -2.002 -2.029 15.603 1.00 0.00 C ATOM 1199 OG SER A 77 -2.884 -3.081 15.967 1.00 0.00 O ATOM 0 H SER A 77 -0.360 -0.521 14.566 1.00 0.00 H new ATOM 0 HA SER A 77 -1.635 -2.912 13.656 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.027 -2.195 16.062 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.381 -1.084 15.993 1.00 0.00 H new ATOM 0 HG SER A 77 -2.963 -3.119 16.943 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.357 -0.149 13.212 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.500 0.391 12.465 1.00 0.00 C ATOM 1207 C ASP A 78 -4.373 0.151 10.952 1.00 0.00 C ATOM 1208 O ASP A 78 -5.350 0.312 10.227 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.680 1.888 12.767 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.182 2.128 14.196 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.399 1.965 14.443 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.355 2.489 15.066 1.00 0.00 O ATOM 0 H ASP A 78 -2.725 0.570 13.565 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.388 -0.146 12.798 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.730 2.404 12.625 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.386 2.319 12.057 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.208 -0.296 10.466 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.037 -0.745 9.081 1.00 0.00 C ATOM 1219 C LEU A 79 -3.522 -2.192 8.872 1.00 0.00 C ATOM 1220 O LEU A 79 -3.728 -2.602 7.730 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.572 -0.589 8.638 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.879 0.744 8.981 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.509 0.742 8.334 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.662 1.963 8.487 1.00 0.00 C ATOM 0 H LEU A 79 -2.357 -0.356 11.024 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.662 -0.107 8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.994 -1.397 9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.528 -0.726 7.558 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.817 0.822 10.066 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.019 1.678 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.091 -0.093 8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.407 0.640 7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.126 2.873 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.769 1.912 7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.649 1.973 8.949 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.737 -2.947 9.961 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.180 -4.351 9.954 1.00 0.00 C ATOM 1238 C LEU A 80 -5.709 -4.500 10.105 1.00 0.00 C ATOM 1239 O LEU A 80 -6.209 -5.614 10.295 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.435 -5.145 11.048 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.898 -5.031 11.045 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.339 -5.871 12.203 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.258 -5.474 9.722 1.00 0.00 C ATOM 0 H LEU A 80 -3.602 -2.584 10.905 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.931 -4.764 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.801 -4.815 12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.701 -6.197 10.948 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.647 -3.977 11.168 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.251 -5.799 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.736 -5.498 13.147 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.633 -6.912 12.072 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.175 -5.368 9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.510 -6.517 9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.634 -4.852 8.910 1.00 0.00 H new ATOM 1255 N THR A 81 -6.454 -3.386 10.060 1.00 0.00 N ATOM 1256 CA THR A 81 -7.916 -3.327 10.226 1.00 0.00 C ATOM 1257 C THR A 81 -8.655 -3.703 8.936 1.00 0.00 C ATOM 1258 O THR A 81 -8.045 -4.085 7.938 1.00 0.00 O ATOM 1259 CB THR A 81 -8.298 -1.963 10.821 1.00 0.00 C ATOM 1260 OG1 THR A 81 -9.611 -2.036 11.332 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.207 -0.805 9.828 1.00 0.00 C ATOM 0 H THR A 81 -6.041 -2.467 9.901 1.00 0.00 H new ATOM 0 HA THR A 81 -8.245 -4.084 10.938 1.00 0.00 H new ATOM 0 HB THR A 81 -7.573 -1.751 11.607 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.862 -1.170 11.715 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.492 0.123 10.324 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.184 -0.720 9.460 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.880 -0.990 8.990 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.983 -3.648 8.966 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.883 -4.156 7.915 1.00 0.00 C ATOM 1271 C ASP A 82 -11.273 -3.097 6.860 1.00 0.00 C ATOM 1272 O ASP A 82 -12.147 -3.327 6.023 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.112 -4.805 8.575 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.747 -5.914 9.578 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -10.898 -6.778 9.255 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.325 -5.925 10.692 1.00 0.00 O ATOM 0 H ASP A 82 -10.489 -3.234 9.749 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.337 -4.909 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.689 -4.036 9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.755 -5.222 7.800 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.599 -1.947 6.881 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.635 -0.906 5.850 1.00 0.00 C ATOM 1283 C ASP A 83 -9.196 -0.448 5.582 1.00 0.00 C ATOM 1284 O ASP A 83 -8.449 -0.091 6.496 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.543 0.268 6.263 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.820 1.269 5.119 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.962 1.444 4.218 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.907 1.894 5.143 1.00 0.00 O ATOM 0 H ASP A 83 -9.982 -1.703 7.656 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.065 -1.309 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.492 -0.128 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.080 0.799 7.095 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.807 -0.473 4.310 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.446 -0.186 3.845 1.00 0.00 C ATOM 1295 C ILE A 84 -7.049 1.291 4.018 1.00 0.00 C ATOM 1296 O ILE A 84 -5.867 1.606 3.890 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.282 -0.667 2.378 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.974 0.296 1.393 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.843 -2.091 2.194 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.725 -0.003 -0.084 1.00 0.00 C ATOM 0 H ILE A 84 -9.447 -0.700 3.549 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.754 -0.743 4.477 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.214 -0.680 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.048 0.271 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.638 1.311 1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.715 -2.402 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.308 -2.780 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.903 -2.100 2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.253 0.728 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.656 0.053 -0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.088 -1.004 -0.319 1.00 0.00 H new ATOM 1312 N THR A 85 -8.012 2.191 4.280 1.00 0.00 N ATOM 1313 CA THR A 85 -7.861 3.661 4.273 1.00 0.00 C ATOM 1314 C THR A 85 -6.709 4.181 5.124 1.00 0.00 C ATOM 1315 O THR A 85 -5.989 5.081 4.698 1.00 0.00 O ATOM 1316 CB THR A 85 -9.196 4.319 4.631 1.00 0.00 C ATOM 1317 OG1 THR A 85 -9.111 5.712 4.449 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.660 4.049 6.062 1.00 0.00 C ATOM 0 H THR A 85 -8.962 1.903 4.514 1.00 0.00 H new ATOM 0 HA THR A 85 -7.583 3.946 3.258 1.00 0.00 H new ATOM 0 HB THR A 85 -9.931 3.871 3.962 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.970 6.125 4.679 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.612 4.550 6.236 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.782 2.976 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.917 4.429 6.763 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.453 3.566 6.281 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.339 3.940 7.164 1.00 0.00 C ATOM 1328 C LYS A 86 -3.965 3.716 6.502 1.00 0.00 C ATOM 1329 O LYS A 86 -3.029 4.483 6.734 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.455 3.154 8.483 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.797 3.302 9.227 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.116 4.750 9.630 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.400 4.778 10.470 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.749 6.156 10.905 1.00 0.00 N ATOM 0 H LYS A 86 -7.013 2.791 6.636 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.407 5.009 7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.291 2.097 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.653 3.474 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.599 2.924 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.778 2.680 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.287 5.171 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.238 5.368 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.223 4.362 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.274 4.142 11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.622 6.131 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.975 6.545 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.894 6.758 10.069 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.857 2.703 5.635 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.670 2.412 4.832 1.00 0.00 C ATOM 1350 C ALA A 87 -2.683 3.197 3.513 1.00 0.00 C ATOM 1351 O ALA A 87 -1.662 3.762 3.129 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.609 0.893 4.607 1.00 0.00 C ATOM 0 H ALA A 87 -4.618 2.044 5.470 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.771 2.732 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.731 0.649 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.546 0.385 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.507 0.567 4.083 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.841 3.294 2.857 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.010 3.958 1.569 1.00 0.00 C ATOM 1360 C ALA A 88 -3.707 5.463 1.622 1.00 0.00 C ATOM 1361 O ALA A 88 -2.988 5.976 0.770 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.434 3.669 1.081 1.00 0.00 C ATOM 0 H ALA A 88 -4.710 2.901 3.220 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.282 3.561 0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.594 4.153 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.571 2.593 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.152 4.056 1.804 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.177 6.176 2.649 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.888 7.609 2.826 1.00 0.00 C ATOM 1370 C LYS A 89 -2.417 7.878 3.192 1.00 0.00 C ATOM 1371 O LYS A 89 -1.833 8.867 2.748 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.837 8.174 3.888 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.282 8.253 3.369 1.00 0.00 C ATOM 1374 CD LYS A 89 -7.232 8.764 4.458 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.641 8.924 3.873 1.00 0.00 C ATOM 1376 NZ LYS A 89 -9.619 9.361 4.903 1.00 0.00 N ATOM 0 H LYS A 89 -4.767 5.781 3.381 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.052 8.114 1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.803 7.546 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.501 9.167 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.325 8.915 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.605 7.268 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.251 8.066 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.877 9.719 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.617 9.652 3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.966 7.977 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.559 9.458 4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.660 8.654 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.323 10.277 5.296 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.790 6.964 3.940 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.348 6.980 4.217 1.00 0.00 C ATOM 1392 C CYS A 90 0.469 6.709 2.938 1.00 0.00 C ATOM 1393 O CYS A 90 1.455 7.399 2.674 1.00 0.00 O ATOM 1394 CB CYS A 90 -0.080 5.974 5.346 1.00 0.00 C ATOM 1395 SG CYS A 90 1.653 5.640 5.729 1.00 0.00 S ATOM 0 H CYS A 90 -2.276 6.181 4.377 1.00 0.00 H new ATOM 0 HA CYS A 90 -0.023 7.966 4.549 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.566 6.339 6.251 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.560 5.031 5.084 1.00 0.00 H new ATOM 0 HG CYS A 90 2.355 6.718 5.541 1.00 0.00 H new ATOM 1400 N ALA A 91 -0.003 5.804 2.076 1.00 0.00 N ATOM 1401 CA ALA A 91 0.578 5.531 0.764 1.00 0.00 C ATOM 1402 C ALA A 91 0.547 6.750 -0.175 1.00 0.00 C ATOM 1403 O ALA A 91 1.529 6.970 -0.881 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.127 4.311 0.165 1.00 0.00 C ATOM 0 H ALA A 91 -0.820 5.228 2.279 1.00 0.00 H new ATOM 0 HA ALA A 91 1.638 5.311 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.295 4.092 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.014 3.451 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.192 4.520 0.064 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.485 7.611 -0.137 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.468 8.879 -0.889 1.00 0.00 C ATOM 1412 C LYS A 92 0.670 9.816 -0.445 1.00 0.00 C ATOM 1413 O LYS A 92 1.336 10.422 -1.284 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.807 9.629 -0.777 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.086 8.835 -1.069 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.124 8.030 -2.377 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.767 8.823 -3.647 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.731 9.921 -3.933 1.00 0.00 N ATOM 0 H LYS A 92 -1.336 7.454 0.403 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.298 8.598 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.884 10.032 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.775 10.479 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.253 8.145 -0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.924 9.533 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.436 7.190 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.123 7.612 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.767 9.243 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.736 8.142 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.340 10.543 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.630 9.516 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.897 10.472 -3.067 1.00 0.00 H new ATOM 1432 N LYS A 93 0.940 9.909 0.865 1.00 0.00 N ATOM 1433 CA LYS A 93 2.048 10.720 1.403 1.00 0.00 C ATOM 1434 C LYS A 93 3.439 10.137 1.067 1.00 0.00 C ATOM 1435 O LYS A 93 4.423 10.875 1.018 1.00 0.00 O ATOM 1436 CB LYS A 93 1.830 10.965 2.908 1.00 0.00 C ATOM 1437 CG LYS A 93 2.798 12.037 3.441 1.00 0.00 C ATOM 1438 CD LYS A 93 2.479 12.489 4.870 1.00 0.00 C ATOM 1439 CE LYS A 93 3.456 13.608 5.255 1.00 0.00 C ATOM 1440 NZ LYS A 93 3.220 14.110 6.631 1.00 0.00 N ATOM 0 H LYS A 93 0.399 9.426 1.582 1.00 0.00 H new ATOM 0 HA LYS A 93 2.039 11.689 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.801 11.280 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.976 10.034 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.815 11.645 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.770 12.903 2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.451 12.845 4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.570 11.652 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.478 13.239 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.359 14.432 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.821 14.941 6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.220 14.377 6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.453 13.364 7.317 1.00 0.00 H new ATOM 1454 N ILE A 94 3.526 8.842 0.747 1.00 0.00 N ATOM 1455 CA ILE A 94 4.737 8.230 0.172 1.00 0.00 C ATOM 1456 C ILE A 94 4.832 8.574 -1.324 1.00 0.00 C ATOM 1457 O ILE A 94 5.859 9.080 -1.773 1.00 0.00 O ATOM 1458 CB ILE A 94 4.769 6.708 0.442 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.795 6.416 1.962 1.00 0.00 C ATOM 1460 CG2 ILE A 94 6.006 6.099 -0.241 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.601 4.939 2.332 1.00 0.00 C ATOM 0 H ILE A 94 2.758 8.183 0.878 1.00 0.00 H new ATOM 0 HA ILE A 94 5.620 8.643 0.659 1.00 0.00 H new ATOM 0 HB ILE A 94 3.866 6.256 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.748 6.757 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.014 7.004 2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.034 5.026 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.954 6.279 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.908 6.561 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.633 4.828 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.636 4.595 1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.396 4.344 1.882 1.00 0.00 H new ATOM 1473 N TYR A 95 3.749 8.394 -2.087 1.00 0.00 N ATOM 1474 CA TYR A 95 3.669 8.705 -3.525 1.00 0.00 C ATOM 1475 C TYR A 95 4.001 10.172 -3.870 1.00 0.00 C ATOM 1476 O TYR A 95 4.565 10.449 -4.928 1.00 0.00 O ATOM 1477 CB TYR A 95 2.299 8.246 -4.064 1.00 0.00 C ATOM 1478 CG TYR A 95 1.670 9.063 -5.185 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.011 10.274 -4.890 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.694 8.592 -6.512 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.409 11.026 -5.917 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.099 9.340 -7.545 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.454 10.561 -7.251 1.00 0.00 C ATOM 1484 OH TYR A 95 -0.128 11.279 -8.253 1.00 0.00 O ATOM 0 H TYR A 95 2.877 8.018 -1.714 1.00 0.00 H new ATOM 0 HA TYR A 95 4.453 8.145 -4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.403 7.219 -4.415 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.599 8.228 -3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.968 10.627 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.172 7.650 -6.738 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.087 11.957 -5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.136 8.980 -8.563 1.00 0.00 H new ATOM 0 HH TYR A 95 -0.001 10.813 -9.106 1.00 0.00 H new ATOM 1494 N LYS A 96 3.751 11.105 -2.947 1.00 0.00 N ATOM 1495 CA LYS A 96 4.129 12.507 -2.997 1.00 0.00 C ATOM 1496 C LYS A 96 5.652 12.749 -3.127 1.00 0.00 C ATOM 1497 O LYS A 96 6.061 13.804 -3.617 1.00 0.00 O ATOM 1498 CB LYS A 96 3.548 13.036 -1.678 1.00 0.00 C ATOM 1499 CG LYS A 96 3.827 14.493 -1.343 1.00 0.00 C ATOM 1500 CD LYS A 96 3.293 15.511 -2.362 1.00 0.00 C ATOM 1501 CE LYS A 96 1.759 15.493 -2.445 1.00 0.00 C ATOM 1502 NZ LYS A 96 1.245 16.535 -3.374 1.00 0.00 N ATOM 0 H LYS A 96 3.245 10.878 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 96 3.750 13.015 -3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.468 12.893 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.934 12.420 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.392 14.715 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.905 14.628 -1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.629 16.510 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.712 15.294 -3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.424 14.511 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.339 15.652 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.206 16.492 -3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.543 17.474 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.626 16.368 -4.327 1.00 0.00 H new ATOM 1516 N ARG A 97 6.481 11.784 -2.705 1.00 0.00 N ATOM 1517 CA ARG A 97 7.953 11.812 -2.788 1.00 0.00 C ATOM 1518 C ARG A 97 8.513 10.715 -3.708 1.00 0.00 C ATOM 1519 O ARG A 97 9.497 10.939 -4.411 1.00 0.00 O ATOM 1520 CB ARG A 97 8.549 11.671 -1.373 1.00 0.00 C ATOM 1521 CG ARG A 97 8.061 12.717 -0.354 1.00 0.00 C ATOM 1522 CD ARG A 97 8.332 14.166 -0.784 1.00 0.00 C ATOM 1523 NE ARG A 97 7.798 15.119 0.206 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.267 16.313 -0.040 1.00 0.00 C ATOM 1525 NH1 ARG A 97 7.148 16.793 -1.261 1.00 0.00 N ATOM 1526 NH2 ARG A 97 6.841 17.053 0.960 1.00 0.00 N ATOM 0 H ARG A 97 6.132 10.926 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 97 8.240 12.769 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.312 10.677 -0.993 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.635 11.734 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.990 12.587 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.548 12.534 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.405 14.320 -0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.876 14.352 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 97 7.840 14.832 1.184 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.469 16.244 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.735 17.714 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.919 16.710 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.433 17.970 0.778 1.00 0.00 H new ATOM 1540 N HIS A 98 7.859 9.553 -3.737 1.00 0.00 N ATOM 1541 CA HIS A 98 8.246 8.343 -4.470 1.00 0.00 C ATOM 1542 C HIS A 98 6.991 7.611 -4.989 1.00 0.00 C ATOM 1543 O HIS A 98 6.495 6.684 -4.343 1.00 0.00 O ATOM 1544 CB HIS A 98 9.083 7.446 -3.537 1.00 0.00 C ATOM 1545 CG HIS A 98 10.405 8.032 -3.124 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.545 8.107 -3.928 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.686 8.563 -1.899 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.484 8.692 -3.164 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.998 8.978 -1.942 1.00 0.00 N ATOM 0 H HIS A 98 6.991 9.422 -3.218 1.00 0.00 H new ATOM 0 HA HIS A 98 8.850 8.605 -5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.500 7.232 -2.641 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.263 6.494 -4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.011 8.642 -1.060 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.492 8.904 -3.487 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.511 9.424 -1.182 1.00 0.00 H new ATOM 1557 N ARG A 99 6.463 8.056 -6.143 1.00 0.00 N ATOM 1558 CA ARG A 99 5.178 7.629 -6.738 1.00 0.00 C ATOM 1559 C ARG A 99 4.910 6.114 -6.649 1.00 0.00 C ATOM 1560 O ARG A 99 3.820 5.706 -6.251 1.00 0.00 O ATOM 1561 CB ARG A 99 4.966 8.154 -8.170 1.00 0.00 C ATOM 1562 CG ARG A 99 5.983 7.695 -9.222 1.00 0.00 C ATOM 1563 CD ARG A 99 7.235 8.572 -9.213 1.00 0.00 C ATOM 1564 NE ARG A 99 8.378 7.881 -9.820 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.767 7.822 -11.082 1.00 0.00 C ATOM 1566 NH1 ARG A 99 8.157 8.474 -12.049 1.00 0.00 N ATOM 1567 NH2 ARG A 99 9.807 7.069 -11.359 1.00 0.00 N ATOM 0 H ARG A 99 6.939 8.754 -6.714 1.00 0.00 H new ATOM 0 HA ARG A 99 4.428 8.105 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.972 7.852 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.974 9.244 -8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.262 6.659 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.524 7.725 -10.210 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.037 9.497 -9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.479 8.850 -8.188 1.00 0.00 H new ATOM 0 HE ARG A 99 8.965 7.365 -9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.346 9.057 -11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.495 8.397 -13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.280 6.559 -10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.141 6.994 -12.320 1.00 0.00 H new ATOM 1581 N PHE A 100 5.932 5.306 -6.942 1.00 0.00 N ATOM 1582 CA PHE A 100 5.943 3.843 -6.829 1.00 0.00 C ATOM 1583 C PHE A 100 7.317 3.287 -6.384 1.00 0.00 C ATOM 1584 O PHE A 100 7.470 2.088 -6.160 1.00 0.00 O ATOM 1585 CB PHE A 100 5.584 3.241 -8.191 1.00 0.00 C ATOM 1586 CG PHE A 100 4.282 3.701 -8.807 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.064 3.350 -8.201 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.280 4.470 -9.988 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.851 3.775 -8.759 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.063 4.896 -10.547 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.848 4.550 -9.930 1.00 0.00 C ATOM 0 H PHE A 100 6.821 5.672 -7.282 1.00 0.00 H new ATOM 0 HA PHE A 100 5.216 3.568 -6.065 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.391 3.468 -8.888 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.548 2.157 -8.087 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.063 2.751 -7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.214 4.732 -10.463 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.917 3.506 -8.288 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.061 5.489 -11.450 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.912 4.880 -10.357 1.00 0.00 H new ATOM 1601 N ASP A 101 8.324 4.156 -6.249 1.00 0.00 N ATOM 1602 CA ASP A 101 9.745 3.831 -6.098 1.00 0.00 C ATOM 1603 C ASP A 101 10.136 3.383 -4.678 1.00 0.00 C ATOM 1604 O ASP A 101 11.226 2.843 -4.479 1.00 0.00 O ATOM 1605 CB ASP A 101 10.597 5.051 -6.521 1.00 0.00 C ATOM 1606 CG ASP A 101 9.979 5.912 -7.639 1.00 0.00 C ATOM 1607 OD1 ASP A 101 8.971 6.603 -7.356 1.00 0.00 O ATOM 1608 OD2 ASP A 101 10.481 5.906 -8.788 1.00 0.00 O ATOM 0 H ASP A 101 8.159 5.163 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 101 9.941 2.977 -6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.764 5.680 -5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.574 4.698 -6.851 1.00 0.00 H new ATOM 1613 N ALA A 102 9.248 3.584 -3.698 1.00 0.00 N ATOM 1614 CA ALA A 102 9.424 3.162 -2.306 1.00 0.00 C ATOM 1615 C ALA A 102 9.130 1.663 -2.072 1.00 0.00 C ATOM 1616 O ALA A 102 9.360 1.158 -0.970 1.00 0.00 O ATOM 1617 CB ALA A 102 8.532 4.054 -1.433 1.00 0.00 C ATOM 0 H ALA A 102 8.360 4.060 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 102 10.473 3.280 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.640 3.765 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.829 5.096 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.492 3.936 -1.736 1.00 0.00 H new ATOM 1623 N TRP A 103 8.643 0.952 -3.096 1.00 0.00 N ATOM 1624 CA TRP A 103 8.194 -0.441 -3.026 1.00 0.00 C ATOM 1625 C TRP A 103 8.961 -1.347 -3.992 1.00 0.00 C ATOM 1626 O TRP A 103 9.223 -0.989 -5.143 1.00 0.00 O ATOM 1627 CB TRP A 103 6.687 -0.478 -3.302 1.00 0.00 C ATOM 1628 CG TRP A 103 5.836 0.228 -2.289 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.437 -0.301 -1.114 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.254 1.572 -2.332 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.626 0.594 -0.452 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.444 1.754 -1.171 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.312 2.649 -3.239 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.682 2.914 -0.955 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.563 3.823 -3.032 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.733 3.949 -1.904 1.00 0.00 C ATOM 0 H TRP A 103 8.548 1.348 -4.031 1.00 0.00 H new ATOM 0 HA TRP A 103 8.398 -0.830 -2.028 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.502 -0.035 -4.281 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.369 -1.519 -3.358 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.712 -1.279 -0.748 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.210 0.418 0.462 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.944 2.572 -4.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.066 3.009 -0.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.626 4.632 -3.744 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.136 4.839 -1.767 1.00 0.00 H new ATOM 1647 N TYR A 104 9.334 -2.534 -3.509 1.00 0.00 N ATOM 1648 CA TYR A 104 10.241 -3.440 -4.210 1.00 0.00 C ATOM 1649 C TYR A 104 9.546 -4.328 -5.253 1.00 0.00 C ATOM 1650 O TYR A 104 10.089 -4.536 -6.337 1.00 0.00 O ATOM 1651 CB TYR A 104 10.999 -4.289 -3.184 1.00 0.00 C ATOM 1652 CG TYR A 104 12.155 -5.023 -3.826 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.313 -4.301 -4.167 1.00 0.00 C ATOM 1654 CD2 TYR A 104 12.043 -6.384 -4.164 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.365 -4.936 -4.853 1.00 0.00 C ATOM 1656 CE2 TYR A 104 13.092 -7.027 -4.848 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.255 -6.303 -5.200 1.00 0.00 C ATOM 1658 OH TYR A 104 15.257 -6.924 -5.884 1.00 0.00 O ATOM 0 H TYR A 104 9.011 -2.895 -2.611 1.00 0.00 H new ATOM 0 HA TYR A 104 10.938 -2.823 -4.777 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.371 -3.650 -2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.317 -5.007 -2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.395 -3.257 -3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.153 -6.935 -3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.254 -4.381 -5.114 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.009 -8.073 -5.104 1.00 0.00 H new ATOM 0 HH TYR A 104 15.016 -7.861 -6.038 1.00 0.00 H new ATOM 1668 N GLY A 105 8.323 -4.794 -4.978 1.00 0.00 N ATOM 1669 CA GLY A 105 7.540 -5.624 -5.900 1.00 0.00 C ATOM 1670 C GLY A 105 7.153 -4.874 -7.172 1.00 0.00 C ATOM 1671 O GLY A 105 7.073 -5.474 -8.243 1.00 0.00 O ATOM 0 H GLY A 105 7.843 -4.603 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.116 -6.510 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.637 -5.970 -5.396 1.00 0.00 H new ATOM 1675 N TRP A 106 7.003 -3.548 -7.088 1.00 0.00 N ATOM 1676 CA TRP A 106 6.762 -2.702 -8.253 1.00 0.00 C ATOM 1677 C TRP A 106 7.958 -2.662 -9.223 1.00 0.00 C ATOM 1678 O TRP A 106 7.782 -2.827 -10.432 1.00 0.00 O ATOM 1679 CB TRP A 106 6.336 -1.308 -7.797 1.00 0.00 C ATOM 1680 CG TRP A 106 6.195 -0.341 -8.924 1.00 0.00 C ATOM 1681 CD1 TRP A 106 5.103 -0.165 -9.700 1.00 0.00 C ATOM 1682 CD2 TRP A 106 7.217 0.548 -9.461 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.381 0.771 -10.679 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.678 1.235 -10.587 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.551 0.830 -9.105 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 7.433 2.155 -11.329 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 9.326 1.731 -9.852 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.769 2.399 -10.960 1.00 0.00 C ATOM 0 H TRP A 106 7.046 -3.034 -6.208 1.00 0.00 H new ATOM 0 HA TRP A 106 5.947 -3.144 -8.827 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.386 -1.380 -7.267 1.00 0.00 H new ATOM 0 HB3 TRP A 106 7.069 -0.925 -7.087 1.00 0.00 H new ATOM 0 HD1 TRP A 106 4.160 -0.676 -9.575 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.710 1.081 -11.383 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.984 0.345 -8.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.995 2.669 -12.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 10.354 1.913 -9.576 1.00 0.00 H new ATOM 0 HH2 TRP A 106 9.367 3.098 -11.526 1.00 0.00 H new ATOM 1699 N LYS A 107 9.183 -2.499 -8.715 1.00 0.00 N ATOM 1700 CA LYS A 107 10.406 -2.481 -9.539 1.00 0.00 C ATOM 1701 C LYS A 107 10.928 -3.888 -9.908 1.00 0.00 C ATOM 1702 O LYS A 107 11.704 -4.017 -10.855 1.00 0.00 O ATOM 1703 CB LYS A 107 11.475 -1.578 -8.892 1.00 0.00 C ATOM 1704 CG LYS A 107 11.872 -2.007 -7.472 1.00 0.00 C ATOM 1705 CD LYS A 107 12.900 -1.077 -6.814 1.00 0.00 C ATOM 1706 CE LYS A 107 12.257 0.254 -6.399 1.00 0.00 C ATOM 1707 NZ LYS A 107 13.203 1.116 -5.643 1.00 0.00 N ATOM 0 H LYS A 107 9.360 -2.375 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 107 10.143 -2.042 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.364 -1.575 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.102 -0.554 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.978 -2.045 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.279 -3.018 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.329 -1.565 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.720 -0.888 -7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.914 0.784 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.377 0.057 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.671 1.845 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.739 0.534 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.862 1.573 -6.306 1.00 0.00 H new ATOM 1721 N ASN A 108 10.467 -4.941 -9.221 1.00 0.00 N ATOM 1722 CA ASN A 108 10.859 -6.335 -9.473 1.00 0.00 C ATOM 1723 C ASN A 108 9.885 -7.101 -10.401 1.00 0.00 C ATOM 1724 O ASN A 108 10.328 -7.975 -11.147 1.00 0.00 O ATOM 1725 CB ASN A 108 11.039 -7.040 -8.119 1.00 0.00 C ATOM 1726 CG ASN A 108 11.762 -8.377 -8.250 1.00 0.00 C ATOM 1727 OD1 ASN A 108 11.154 -9.431 -8.391 1.00 0.00 O ATOM 1728 ND2 ASN A 108 13.083 -8.378 -8.199 1.00 0.00 N ATOM 0 H ASN A 108 9.797 -4.846 -8.458 1.00 0.00 H new ATOM 0 HA ASN A 108 11.801 -6.329 -10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.600 -6.391 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.062 -7.202 -7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 108 13.596 -9.256 -8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.590 -7.500 -8.082 1.00 0.00 H new ATOM 1735 N HIS A 109 8.587 -6.750 -10.416 1.00 0.00 N ATOM 1736 CA HIS A 109 7.547 -7.450 -11.200 1.00 0.00 C ATOM 1737 C HIS A 109 6.710 -6.532 -12.116 1.00 0.00 C ATOM 1738 O HIS A 109 6.524 -6.843 -13.295 1.00 0.00 O ATOM 1739 CB HIS A 109 6.613 -8.208 -10.245 1.00 0.00 C ATOM 1740 CG HIS A 109 7.288 -9.230 -9.372 1.00 0.00 C ATOM 1741 ND1 HIS A 109 7.741 -10.482 -9.794 1.00 0.00 N ATOM 1742 CD2 HIS A 109 7.509 -9.102 -8.033 1.00 0.00 C ATOM 1743 CE1 HIS A 109 8.235 -11.073 -8.693 1.00 0.00 C ATOM 1744 NE2 HIS A 109 8.109 -10.271 -7.621 1.00 0.00 N ATOM 0 H HIS A 109 8.224 -5.963 -9.878 1.00 0.00 H new ATOM 0 HA HIS A 109 8.078 -8.133 -11.863 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.107 -7.484 -9.606 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.843 -8.707 -10.834 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.262 -8.251 -7.416 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.674 -12.059 -8.672 1.00 0.00 H new ATOM 0 HE2 HIS A 109 8.406 -10.490 -6.670 1.00 0.00 H new ATOM 1752 N CYS A 110 6.233 -5.381 -11.618 1.00 0.00 N ATOM 1753 CA CYS A 110 5.295 -4.505 -12.355 1.00 0.00 C ATOM 1754 C CYS A 110 5.908 -3.781 -13.571 1.00 0.00 C ATOM 1755 O CYS A 110 5.182 -3.159 -14.347 1.00 0.00 O ATOM 1756 CB CYS A 110 4.656 -3.493 -11.394 1.00 0.00 C ATOM 1757 SG CYS A 110 3.866 -4.214 -9.933 1.00 0.00 S ATOM 0 H CYS A 110 6.483 -5.027 -10.695 1.00 0.00 H new ATOM 0 HA CYS A 110 4.536 -5.168 -12.769 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.424 -2.793 -11.064 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.912 -2.915 -11.942 1.00 0.00 H new ATOM 0 HG CYS A 110 2.945 -5.052 -10.307 1.00 0.00 H new ATOM 1762 N GLN A 111 7.228 -3.880 -13.767 1.00 0.00 N ATOM 1763 CA GLN A 111 7.927 -3.359 -14.949 1.00 0.00 C ATOM 1764 C GLN A 111 7.686 -4.215 -16.207 1.00 0.00 C ATOM 1765 O GLN A 111 7.824 -3.707 -17.323 1.00 0.00 O ATOM 1766 CB GLN A 111 9.444 -3.281 -14.675 1.00 0.00 C ATOM 1767 CG GLN A 111 9.842 -2.521 -13.400 1.00 0.00 C ATOM 1768 CD GLN A 111 9.308 -1.088 -13.351 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.661 -0.233 -14.152 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.441 -0.772 -12.414 1.00 0.00 N ATOM 0 H GLN A 111 7.851 -4.332 -13.098 1.00 0.00 H new ATOM 0 HA GLN A 111 7.522 -2.365 -15.141 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.838 -4.295 -14.612 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.927 -2.804 -15.528 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.474 -3.067 -12.531 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.929 -2.498 -13.325 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.139 -1.476 -11.740 1.00 0.00 H new ATOM 0 HE22 GLN A 111 8.071 0.177 -12.361 1.00 0.00 H new ATOM 1779 N GLY A 112 7.328 -5.500 -16.050 1.00 0.00 N ATOM 1780 CA GLY A 112 7.149 -6.445 -17.163 1.00 0.00 C ATOM 1781 C GLY A 112 5.745 -6.418 -17.769 1.00 0.00 C ATOM 1782 O GLY A 112 5.600 -6.494 -18.988 1.00 0.00 O ATOM 0 H GLY A 112 7.153 -5.916 -15.135 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.876 -6.218 -17.942 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.364 -7.454 -16.810 1.00 0.00 H new ATOM 1786 N SER A 113 4.712 -6.296 -16.933 1.00 0.00 N ATOM 1787 CA SER A 113 3.291 -6.292 -17.324 1.00 0.00 C ATOM 1788 C SER A 113 2.385 -5.884 -16.147 1.00 0.00 C ATOM 1789 O SER A 113 2.737 -6.098 -14.981 1.00 0.00 O ATOM 1790 CB SER A 113 2.875 -7.679 -17.847 1.00 0.00 C ATOM 1791 OG SER A 113 1.591 -7.632 -18.454 1.00 0.00 O ATOM 0 H SER A 113 4.841 -6.193 -15.926 1.00 0.00 H new ATOM 0 HA SER A 113 3.169 -5.556 -18.119 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.610 -8.034 -18.570 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.866 -8.394 -17.024 1.00 0.00 H new ATOM 0 HG SER A 113 1.350 -8.524 -18.780 1.00 0.00 H new ATOM 1797 N LEU A 114 1.216 -5.299 -16.445 1.00 0.00 N ATOM 1798 CA LEU A 114 0.182 -4.900 -15.484 1.00 0.00 C ATOM 1799 C LEU A 114 -1.164 -5.605 -15.777 1.00 0.00 C ATOM 1800 O LEU A 114 -1.470 -5.852 -16.950 1.00 0.00 O ATOM 1801 CB LEU A 114 0.015 -3.374 -15.578 1.00 0.00 C ATOM 1802 CG LEU A 114 1.253 -2.549 -15.172 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.989 -1.080 -15.516 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.571 -2.688 -13.677 1.00 0.00 C ATOM 0 H LEU A 114 0.955 -5.082 -17.407 1.00 0.00 H new ATOM 0 HA LEU A 114 0.486 -5.194 -14.479 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.252 -3.117 -16.603 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.822 -3.077 -14.946 1.00 0.00 H new ATOM 0 HG LEU A 114 2.118 -2.924 -15.719 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.854 -0.479 -15.236 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.812 -0.983 -16.587 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.113 -0.730 -14.970 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.450 -2.091 -13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.722 -2.338 -13.090 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.768 -3.734 -13.443 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.999 -5.882 -14.755 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.293 -6.542 -14.913 1.00 0.00 C ATOM 1818 C PRO A 115 -4.346 -5.613 -15.533 1.00 0.00 C ATOM 1819 O PRO A 115 -4.169 -4.395 -15.586 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.696 -6.964 -13.498 1.00 0.00 C ATOM 1821 CG PRO A 115 -3.077 -5.877 -12.623 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.767 -5.585 -13.350 1.00 0.00 C ATOM 0 HA PRO A 115 -3.224 -7.389 -15.595 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.779 -7.006 -13.383 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.310 -7.952 -13.247 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.713 -4.994 -12.560 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.908 -6.222 -11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.473 -4.544 -13.217 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.958 -6.198 -12.952 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.463 -6.196 -15.975 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.634 -5.464 -16.467 1.00 0.00 C ATOM 1832 C ASP A 116 -7.480 -4.867 -15.326 1.00 0.00 C ATOM 1833 O ASP A 116 -7.671 -5.476 -14.270 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.504 -6.386 -17.342 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.801 -5.691 -17.797 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.711 -4.574 -18.362 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.906 -6.224 -17.539 1.00 0.00 O ATOM 0 H ASP A 116 -5.582 -7.209 -16.002 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.264 -4.630 -17.063 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.934 -6.700 -18.217 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.753 -7.288 -16.783 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.042 -3.685 -15.594 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.037 -2.992 -14.756 1.00 0.00 C ATOM 1844 C ILE A 117 -10.296 -2.564 -15.530 1.00 0.00 C ATOM 1845 O ILE A 117 -11.231 -2.041 -14.931 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.406 -1.763 -14.069 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.946 -0.737 -15.133 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.276 -2.187 -13.109 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.538 0.606 -14.542 1.00 0.00 C ATOM 0 H ILE A 117 -7.809 -3.158 -16.436 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.355 -3.716 -14.006 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.157 -1.269 -13.452 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.104 -1.152 -15.687 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.753 -0.580 -15.849 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.848 -1.302 -12.638 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.679 -2.848 -12.342 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.501 -2.711 -13.668 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.227 1.277 -15.343 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.384 1.042 -14.012 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.710 0.462 -13.848 1.00 0.00 H new ATOM 1861 N SER A 118 -10.348 -2.748 -16.849 1.00 0.00 N ATOM 1862 CA SER A 118 -11.496 -2.330 -17.676 1.00 0.00 C ATOM 1863 C SER A 118 -12.768 -3.164 -17.418 1.00 0.00 C ATOM 1864 O SER A 118 -13.878 -2.735 -17.735 1.00 0.00 O ATOM 1865 CB SER A 118 -11.122 -2.324 -19.169 1.00 0.00 C ATOM 1866 OG SER A 118 -10.856 -3.620 -19.691 1.00 0.00 O ATOM 0 H SER A 118 -9.599 -3.191 -17.381 1.00 0.00 H new ATOM 0 HA SER A 118 -11.740 -1.311 -17.375 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.935 -1.871 -19.737 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.243 -1.695 -19.313 1.00 0.00 H new ATOM 0 HG SER A 118 -10.175 -4.061 -19.141 1.00 0.00 H new ATOM 1872 N SER A 119 -12.625 -4.325 -16.773 1.00 0.00 N ATOM 1873 CA SER A 119 -13.728 -5.153 -16.269 1.00 0.00 C ATOM 1874 C SER A 119 -14.237 -4.726 -14.871 1.00 0.00 C ATOM 1875 O SER A 119 -15.198 -5.318 -14.369 1.00 0.00 O ATOM 1876 CB SER A 119 -13.276 -6.623 -16.227 1.00 0.00 C ATOM 1877 OG SER A 119 -12.813 -7.094 -17.490 1.00 0.00 O ATOM 0 H SER A 119 -11.709 -4.729 -16.580 1.00 0.00 H new ATOM 0 HA SER A 119 -14.564 -5.018 -16.955 1.00 0.00 H new ATOM 0 HB2 SER A 119 -12.481 -6.733 -15.489 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.107 -7.245 -15.895 1.00 0.00 H new ATOM 0 HG SER A 119 -11.873 -6.842 -17.609 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.610 -3.725 -14.229 1.00 0.00 N ATOM 1884 CA CYS A 120 -13.878 -3.291 -12.851 1.00 0.00 C ATOM 1885 C CYS A 120 -14.656 -1.957 -12.794 1.00 0.00 C ATOM 1886 O CYS A 120 -14.172 -0.932 -13.329 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.542 -3.197 -12.099 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.503 -4.685 -12.150 1.00 0.00 S ATOM 1889 OXT CYS A 120 -15.736 -1.927 -12.164 1.00 0.00 O ATOM 0 H CYS A 120 -12.875 -3.176 -14.675 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.521 -4.028 -12.369 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -11.972 -2.364 -12.511 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.749 -2.957 -11.056 1.00 0.00 H new ATOM 0 HG CYS A 120 -10.515 -4.553 -11.315 1.00 0.00 H new TER 1894 CYS A 120