USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 991 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 25 HIS : no HE2:sc= -7.57! C(o=-7.7!,f=-10!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= -0.17 USER MOD Set 2.1: A 87 ASN : amide:sc= -1.49! C(o=-4.7!,f=-13!) USER MOD Set 2.2: A 90 LYS NZ :NH3+ -157:sc= -3.25! (180deg=-2.72!) USER MOD Set 3.1: A 69 TYR OH : rot 165:sc= 0.0311 USER MOD Set 3.2: A 94 GLN : amide:sc= -1.16 K(o=-1.1,f=-2.1!) USER MOD Set 4.1: A 60 HIS : no HD1:sc= 0.241 K(o=0.46,f=-1.7) USER MOD Set 4.2: A 73 THR OG1 : rot 135:sc= 0.223 USER MOD Set 5.1: A 42 LYS NZ :NH3+ -157:sc= 0.511 (180deg=-0.257) USER MOD Set 5.2: A 52 TYR OH : rot 165:sc= 0.476 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 19:sc= 0.427 USER MOD Single : A 6 SER OG : rot 30:sc= 0.0849 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1) USER MOD Single : A 36 THR OG1 : rot 164:sc= 1.49 USER MOD Single : A 38 GLN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.0102 F(o=-0.75,f=-0.01) USER MOD Single : A 48 ASN : amide:sc= -2.41 K(o=-2.4,f=-11!) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0321) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.105 K(o=-0.11,f=-0.96) USER MOD Single : A 56 ASN : amide:sc=-0.00177 X(o=-0.0018,f=-0.0018) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -90:sc= -5.5! USER MOD Single : A 64 GLN : amide:sc= -0.0903 K(o=-0.09,f=-0.73) USER MOD Single : A 71 CYS SG : rot 14:sc= 0.415 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.5) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.157 F(o=-1.5,f=-0.16) USER MOD Single : A 103 THR OG1 : rot 50:sc= 0.644 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -167:sc= 0 (180deg=-0.015) USER MOD Single : A 110 ASN : amide:sc= -0.751 X(o=-0.75,f=-0.78) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.0904 K(o=-0.09,f=-0.91) USER MOD Single : A 122 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0302) USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.406 F(o=-0.94,f=-0.41) USER MOD Single : A 124 HIS : no HE2:sc= 0.0141 K(o=0.014,f=-0.92) USER MOD Single : A 125 SER OG : rot 180:sc= -2.72! USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.498 16.849 26.307 1.00 0.00 N ATOM 2 CA GLY A 1 -5.116 15.980 25.323 1.00 0.00 C ATOM 3 C GLY A 1 -4.401 16.016 23.987 1.00 0.00 C ATOM 4 O GLY A 1 -3.547 15.174 23.709 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.024 16.789 27.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.513 16.552 26.463 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.513 17.830 25.962 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.124 14.957 25.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.156 16.276 25.183 1.00 0.00 H new ATOM 8 N SER A 2 -4.751 16.993 23.157 1.00 0.00 N ATOM 9 CA SER A 2 -4.141 17.133 21.840 1.00 0.00 C ATOM 10 C SER A 2 -2.802 17.859 21.935 1.00 0.00 C ATOM 11 O SER A 2 -2.509 18.751 21.140 1.00 0.00 O ATOM 12 CB SER A 2 -5.078 17.891 20.898 1.00 0.00 C ATOM 13 OG SER A 2 -4.863 17.510 19.549 1.00 0.00 O ATOM 0 H SER A 2 -5.454 17.700 23.373 1.00 0.00 H new ATOM 0 HA SER A 2 -3.966 16.134 21.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.114 17.694 21.174 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.918 18.964 21.006 1.00 0.00 H new ATOM 0 HG SER A 2 -5.475 18.007 18.967 1.00 0.00 H new ATOM 19 N SER A 3 -1.994 17.469 22.916 1.00 0.00 N ATOM 20 CA SER A 3 -0.688 18.084 23.120 1.00 0.00 C ATOM 21 C SER A 3 0.405 17.283 22.420 1.00 0.00 C ATOM 22 O SER A 3 0.527 16.074 22.616 1.00 0.00 O ATOM 23 CB SER A 3 -0.379 18.192 24.614 1.00 0.00 C ATOM 24 OG SER A 3 0.932 18.686 24.830 1.00 0.00 O ATOM 0 H SER A 3 -2.221 16.730 23.582 1.00 0.00 H new ATOM 0 HA SER A 3 -0.714 19.085 22.688 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.103 18.852 25.091 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.484 17.213 25.082 1.00 0.00 H new ATOM 0 HG SER A 3 1.104 18.747 25.793 1.00 0.00 H new ATOM 30 N GLY A 4 1.199 17.966 21.601 1.00 0.00 N ATOM 31 CA GLY A 4 2.272 17.303 20.883 1.00 0.00 C ATOM 32 C GLY A 4 2.252 17.609 19.398 1.00 0.00 C ATOM 33 O GLY A 4 2.526 18.736 18.986 1.00 0.00 O ATOM 0 H GLY A 4 1.118 18.967 21.422 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.230 17.612 21.302 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.192 16.226 21.030 1.00 0.00 H new ATOM 37 N SER A 5 1.928 16.602 18.593 1.00 0.00 N ATOM 38 CA SER A 5 1.879 16.768 17.145 1.00 0.00 C ATOM 39 C SER A 5 0.915 15.767 16.516 1.00 0.00 C ATOM 40 O SER A 5 0.779 14.638 16.988 1.00 0.00 O ATOM 41 CB SER A 5 3.275 16.596 16.543 1.00 0.00 C ATOM 42 OG SER A 5 4.017 17.800 16.624 1.00 0.00 O ATOM 0 H SER A 5 1.696 15.664 18.919 1.00 0.00 H new ATOM 0 HA SER A 5 1.521 17.775 16.931 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.806 15.802 17.068 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.190 16.287 15.501 1.00 0.00 H new ATOM 0 HG SER A 5 3.614 18.388 17.296 1.00 0.00 H new ATOM 48 N SER A 6 0.246 16.189 15.447 1.00 0.00 N ATOM 49 CA SER A 6 -0.709 15.332 14.755 1.00 0.00 C ATOM 50 C SER A 6 -0.758 15.665 13.267 1.00 0.00 C ATOM 51 O SER A 6 -0.311 16.729 12.842 1.00 0.00 O ATOM 52 CB SER A 6 -2.102 15.484 15.369 1.00 0.00 C ATOM 53 OG SER A 6 -2.300 14.555 16.421 1.00 0.00 O ATOM 0 H SER A 6 0.348 17.119 15.042 1.00 0.00 H new ATOM 0 HA SER A 6 -0.381 14.299 14.868 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.227 16.499 15.747 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.860 15.334 14.600 1.00 0.00 H new ATOM 0 HG SER A 6 -1.442 14.364 16.854 1.00 0.00 H new ATOM 59 N GLY A 7 -1.306 14.745 12.479 1.00 0.00 N ATOM 60 CA GLY A 7 -1.404 14.958 11.047 1.00 0.00 C ATOM 61 C GLY A 7 -2.261 13.912 10.362 1.00 0.00 C ATOM 62 O GLY A 7 -2.982 13.163 11.021 1.00 0.00 O ATOM 0 H GLY A 7 -1.684 13.856 12.807 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.822 15.947 10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.405 14.946 10.612 1.00 0.00 H new ATOM 66 N MET A 8 -2.184 13.861 9.036 1.00 0.00 N ATOM 67 CA MET A 8 -2.960 12.898 8.262 1.00 0.00 C ATOM 68 C MET A 8 -2.245 11.553 8.194 1.00 0.00 C ATOM 69 O MET A 8 -1.047 11.489 7.920 1.00 0.00 O ATOM 70 CB MET A 8 -3.208 13.429 6.849 1.00 0.00 C ATOM 71 CG MET A 8 -4.027 14.709 6.816 1.00 0.00 C ATOM 72 SD MET A 8 -5.803 14.398 6.832 1.00 0.00 S ATOM 73 CE MET A 8 -6.323 15.473 8.167 1.00 0.00 C ATOM 0 H MET A 8 -1.593 14.475 8.475 1.00 0.00 H new ATOM 0 HA MET A 8 -3.918 12.755 8.762 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.249 13.609 6.364 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.721 12.664 6.267 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.763 15.327 7.674 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.770 15.277 5.922 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.402 15.392 8.300 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.821 15.178 9.088 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.063 16.504 7.926 1.00 0.00 H new ATOM 83 N ALA A 9 -2.988 10.480 8.446 1.00 0.00 N ATOM 84 CA ALA A 9 -2.425 9.136 8.412 1.00 0.00 C ATOM 85 C ALA A 9 -2.431 8.574 6.994 1.00 0.00 C ATOM 86 O ALA A 9 -2.829 9.255 6.049 1.00 0.00 O ATOM 87 CB ALA A 9 -3.194 8.217 9.349 1.00 0.00 C ATOM 0 H ALA A 9 -3.981 10.516 8.676 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.390 9.194 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.762 7.217 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.133 8.602 10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.238 8.173 9.039 1.00 0.00 H new ATOM 93 N ILE A 10 -1.989 7.329 6.854 1.00 0.00 N ATOM 94 CA ILE A 10 -1.945 6.677 5.551 1.00 0.00 C ATOM 95 C ILE A 10 -3.183 7.011 4.727 1.00 0.00 C ATOM 96 O ILE A 10 -4.313 6.850 5.190 1.00 0.00 O ATOM 97 CB ILE A 10 -1.832 5.147 5.691 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.553 4.774 6.443 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.860 4.486 4.321 1.00 0.00 C ATOM 100 CD1 ILE A 10 -0.607 3.406 7.086 1.00 0.00 C ATOM 0 H ILE A 10 -1.656 6.752 7.626 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.059 7.053 5.039 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.686 4.786 6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.289 4.808 5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.363 5.521 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.779 3.405 4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.797 4.728 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.024 4.850 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.333 3.209 7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.427 3.373 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.766 2.649 6.318 1.00 0.00 H new ATOM 112 N LEU A 11 -2.963 7.475 3.502 1.00 0.00 N ATOM 113 CA LEU A 11 -4.062 7.830 2.610 1.00 0.00 C ATOM 114 C LEU A 11 -4.134 6.872 1.425 1.00 0.00 C ATOM 115 O LEU A 11 -5.214 6.421 1.043 1.00 0.00 O ATOM 116 CB LEU A 11 -3.894 9.266 2.110 1.00 0.00 C ATOM 117 CG LEU A 11 -4.167 10.370 3.133 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.618 11.700 2.642 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.658 10.478 3.415 1.00 0.00 C ATOM 0 H LEU A 11 -2.034 7.614 3.104 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.993 7.753 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.875 9.384 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.560 9.414 1.260 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.659 10.112 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.822 12.473 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.542 11.616 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.097 11.965 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.834 11.268 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.187 10.713 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.023 9.530 3.811 1.00 0.00 H new ATOM 131 N PHE A 12 -2.976 6.564 0.850 1.00 0.00 N ATOM 132 CA PHE A 12 -2.908 5.658 -0.291 1.00 0.00 C ATOM 133 C PHE A 12 -2.244 4.340 0.100 1.00 0.00 C ATOM 134 O PHE A 12 -1.225 4.327 0.790 1.00 0.00 O ATOM 135 CB PHE A 12 -2.136 6.309 -1.441 1.00 0.00 C ATOM 136 CG PHE A 12 -2.198 5.528 -2.722 1.00 0.00 C ATOM 137 CD1 PHE A 12 -1.309 4.492 -2.961 1.00 0.00 C ATOM 138 CD2 PHE A 12 -3.144 5.830 -3.688 1.00 0.00 C ATOM 139 CE1 PHE A 12 -1.364 3.771 -4.139 1.00 0.00 C ATOM 140 CE2 PHE A 12 -3.204 5.112 -4.868 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.311 4.082 -5.094 1.00 0.00 C ATOM 0 H PHE A 12 -2.073 6.928 1.155 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.926 5.449 -0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.534 7.309 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.093 6.427 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.565 4.245 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.843 6.636 -3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.667 2.965 -4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.948 5.356 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.354 3.521 -6.016 1.00 0.00 H new ATOM 151 N ALA A 13 -2.830 3.234 -0.346 1.00 0.00 N ATOM 152 CA ALA A 13 -2.296 1.912 -0.044 1.00 0.00 C ATOM 153 C ALA A 13 -2.816 0.872 -1.031 1.00 0.00 C ATOM 154 O ALA A 13 -4.015 0.598 -1.085 1.00 0.00 O ATOM 155 CB ALA A 13 -2.648 1.513 1.381 1.00 0.00 C ATOM 0 H ALA A 13 -3.675 3.227 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.211 1.955 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.243 0.523 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.222 2.236 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.732 1.493 1.496 1.00 0.00 H new ATOM 161 N VAL A 14 -1.906 0.295 -1.810 1.00 0.00 N ATOM 162 CA VAL A 14 -2.273 -0.715 -2.795 1.00 0.00 C ATOM 163 C VAL A 14 -1.257 -1.852 -2.821 1.00 0.00 C ATOM 164 O VAL A 14 -0.128 -1.700 -2.354 1.00 0.00 O ATOM 165 CB VAL A 14 -2.386 -0.109 -4.206 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.202 1.174 -4.173 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.003 0.144 -4.788 1.00 0.00 C ATOM 0 H VAL A 14 -0.909 0.510 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.246 -1.108 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.902 -0.822 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.271 1.587 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.203 0.959 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.718 1.897 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.101 0.572 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.460 0.838 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.456 -0.797 -4.849 1.00 0.00 H new ATOM 177 N VAL A 15 -1.665 -2.991 -3.371 1.00 0.00 N ATOM 178 CA VAL A 15 -0.790 -4.153 -3.460 1.00 0.00 C ATOM 179 C VAL A 15 -0.534 -4.539 -4.913 1.00 0.00 C ATOM 180 O VAL A 15 -1.450 -4.944 -5.628 1.00 0.00 O ATOM 181 CB VAL A 15 -1.386 -5.363 -2.717 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.467 -6.569 -2.836 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.641 -5.019 -1.257 1.00 0.00 C ATOM 0 H VAL A 15 -2.596 -3.134 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 15 0.153 -3.875 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.340 -5.617 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.905 -7.414 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.340 -6.828 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.504 -6.331 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.062 -5.886 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.702 -4.738 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.342 -4.186 -1.196 1.00 0.00 H new ATOM 193 N ALA A 16 0.717 -4.409 -5.343 1.00 0.00 N ATOM 194 CA ALA A 16 1.094 -4.746 -6.710 1.00 0.00 C ATOM 195 C ALA A 16 2.376 -5.570 -6.738 1.00 0.00 C ATOM 196 O ALA A 16 3.396 -5.168 -6.178 1.00 0.00 O ATOM 197 CB ALA A 16 1.259 -3.481 -7.539 1.00 0.00 C ATOM 0 H ALA A 16 1.486 -4.073 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 16 0.296 -5.349 -7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.541 -3.748 -8.558 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.318 -2.931 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.037 -2.857 -7.099 1.00 0.00 H new ATOM 203 N ARG A 17 2.318 -6.725 -7.393 1.00 0.00 N ATOM 204 CA ARG A 17 3.475 -7.607 -7.493 1.00 0.00 C ATOM 205 C ARG A 17 4.407 -7.156 -8.613 1.00 0.00 C ATOM 206 O ARG A 17 4.200 -7.489 -9.779 1.00 0.00 O ATOM 207 CB ARG A 17 3.025 -9.048 -7.738 1.00 0.00 C ATOM 208 CG ARG A 17 1.955 -9.178 -8.810 1.00 0.00 C ATOM 209 CD ARG A 17 1.701 -10.633 -9.170 1.00 0.00 C ATOM 210 NE ARG A 17 1.249 -10.784 -10.551 1.00 0.00 N ATOM 211 CZ ARG A 17 2.071 -10.815 -11.594 1.00 0.00 C ATOM 212 NH1 ARG A 17 3.380 -10.705 -11.414 1.00 0.00 N ATOM 213 NH2 ARG A 17 1.583 -10.955 -12.820 1.00 0.00 N ATOM 0 H ARG A 17 1.482 -7.072 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 17 4.019 -7.559 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.890 -9.646 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.645 -9.465 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.029 -8.722 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.262 -8.630 -9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.615 -11.208 -9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.952 -11.048 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 17 0.247 -10.870 -10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.758 -10.596 -10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.009 -10.729 -12.217 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.576 -11.039 -12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.215 -10.979 -13.621 1.00 0.00 H new ATOM 227 N GLY A 18 5.435 -6.395 -8.250 1.00 0.00 N ATOM 228 CA GLY A 18 6.384 -5.910 -9.236 1.00 0.00 C ATOM 229 C GLY A 18 5.819 -4.783 -10.078 1.00 0.00 C ATOM 230 O GLY A 18 5.986 -3.608 -9.750 1.00 0.00 O ATOM 0 H GLY A 18 5.628 -6.106 -7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.285 -5.565 -8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.680 -6.733 -9.887 1.00 0.00 H new ATOM 234 N THR A 19 5.150 -5.141 -11.170 1.00 0.00 N ATOM 235 CA THR A 19 4.562 -4.151 -12.064 1.00 0.00 C ATOM 236 C THR A 19 3.112 -4.494 -12.385 1.00 0.00 C ATOM 237 O THR A 19 2.596 -4.130 -13.443 1.00 0.00 O ATOM 238 CB THR A 19 5.355 -4.040 -13.379 1.00 0.00 C ATOM 239 OG1 THR A 19 5.771 -5.340 -13.812 1.00 0.00 O ATOM 240 CG2 THR A 19 6.572 -3.145 -13.203 1.00 0.00 C ATOM 0 H THR A 19 5.002 -6.109 -11.456 1.00 0.00 H new ATOM 0 HA THR A 19 4.600 -3.194 -11.544 1.00 0.00 H new ATOM 0 HB THR A 19 4.704 -3.598 -14.133 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.273 -5.261 -14.650 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.116 -3.082 -14.145 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.250 -2.148 -12.902 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.223 -3.563 -12.435 1.00 0.00 H new ATOM 248 N THR A 20 2.456 -5.196 -11.466 1.00 0.00 N ATOM 249 CA THR A 20 1.065 -5.588 -11.653 1.00 0.00 C ATOM 250 C THR A 20 0.235 -5.279 -10.412 1.00 0.00 C ATOM 251 O THR A 20 0.587 -5.681 -9.302 1.00 0.00 O ATOM 252 CB THR A 20 0.943 -7.089 -11.976 1.00 0.00 C ATOM 253 OG1 THR A 20 1.753 -7.413 -13.112 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.504 -7.467 -12.254 1.00 0.00 C ATOM 0 H THR A 20 2.866 -5.505 -10.585 1.00 0.00 H new ATOM 0 HA THR A 20 0.685 -5.010 -12.495 1.00 0.00 H new ATOM 0 HB THR A 20 1.289 -7.654 -11.110 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.671 -8.369 -13.310 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.565 -8.532 -12.480 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.113 -7.246 -11.377 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.873 -6.894 -13.105 1.00 0.00 H new ATOM 262 N ILE A 21 -0.866 -4.562 -10.606 1.00 0.00 N ATOM 263 CA ILE A 21 -1.746 -4.200 -9.502 1.00 0.00 C ATOM 264 C ILE A 21 -2.909 -5.180 -9.382 1.00 0.00 C ATOM 265 O ILE A 21 -3.823 -5.181 -10.207 1.00 0.00 O ATOM 266 CB ILE A 21 -2.307 -2.776 -9.671 1.00 0.00 C ATOM 267 CG1 ILE A 21 -1.164 -1.771 -9.835 1.00 0.00 C ATOM 268 CG2 ILE A 21 -3.179 -2.405 -8.482 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.603 -0.446 -10.418 1.00 0.00 C ATOM 0 H ILE A 21 -1.170 -4.220 -11.518 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.144 -4.239 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.923 -2.748 -10.570 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.703 -1.596 -8.863 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.398 -2.206 -10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.568 -1.396 -8.617 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.010 -3.107 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.586 -2.446 -7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.742 0.216 -10.506 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.038 -0.609 -11.404 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.347 0.010 -9.765 1.00 0.00 H new ATOM 281 N LEU A 22 -2.868 -6.013 -8.347 1.00 0.00 N ATOM 282 CA LEU A 22 -3.919 -6.998 -8.117 1.00 0.00 C ATOM 283 C LEU A 22 -5.095 -6.375 -7.371 1.00 0.00 C ATOM 284 O LEU A 22 -6.250 -6.731 -7.606 1.00 0.00 O ATOM 285 CB LEU A 22 -3.368 -8.184 -7.324 1.00 0.00 C ATOM 286 CG LEU A 22 -2.118 -8.852 -7.896 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.360 -9.592 -6.804 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.490 -9.801 -9.027 1.00 0.00 C ATOM 0 H LEU A 22 -2.119 -6.026 -7.655 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.273 -7.349 -9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.144 -7.846 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.152 -8.936 -7.242 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.467 -8.076 -8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.473 -10.061 -7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.060 -8.888 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.003 -10.358 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.588 -10.268 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.161 -10.572 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.988 -9.244 -9.821 1.00 0.00 H new ATOM 300 N ALA A 23 -4.793 -5.443 -6.474 1.00 0.00 N ATOM 301 CA ALA A 23 -5.825 -4.767 -5.697 1.00 0.00 C ATOM 302 C ALA A 23 -5.374 -3.371 -5.282 1.00 0.00 C ATOM 303 O ALA A 23 -4.348 -3.209 -4.622 1.00 0.00 O ATOM 304 CB ALA A 23 -6.189 -5.593 -4.472 1.00 0.00 C ATOM 0 H ALA A 23 -3.842 -5.138 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.709 -4.662 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.961 -5.076 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.562 -6.567 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.305 -5.728 -3.848 1.00 0.00 H new ATOM 310 N LYS A 24 -6.147 -2.364 -5.673 1.00 0.00 N ATOM 311 CA LYS A 24 -5.828 -0.980 -5.341 1.00 0.00 C ATOM 312 C LYS A 24 -7.038 -0.272 -4.740 1.00 0.00 C ATOM 313 O LYS A 24 -8.153 -0.383 -5.251 1.00 0.00 O ATOM 314 CB LYS A 24 -5.354 -0.231 -6.589 1.00 0.00 C ATOM 315 CG LYS A 24 -6.315 -0.331 -7.761 1.00 0.00 C ATOM 316 CD LYS A 24 -6.084 0.783 -8.768 1.00 0.00 C ATOM 317 CE LYS A 24 -7.369 1.154 -9.493 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.116 2.229 -8.782 1.00 0.00 N ATOM 0 H LYS A 24 -7.000 -2.480 -6.221 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.027 -0.985 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.208 0.820 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.383 -0.624 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.193 -1.297 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.341 -0.286 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.687 1.660 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.333 0.469 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.133 1.484 -10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.002 0.271 -9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.985 2.453 -9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.364 1.905 -7.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.522 3.080 -8.717 1.00 0.00 H new ATOM 332 N HIS A 25 -6.811 0.457 -3.652 1.00 0.00 N ATOM 333 CA HIS A 25 -7.883 1.186 -2.983 1.00 0.00 C ATOM 334 C HIS A 25 -7.333 2.400 -2.240 1.00 0.00 C ATOM 335 O HIS A 25 -6.671 2.264 -1.212 1.00 0.00 O ATOM 336 CB HIS A 25 -8.620 0.268 -2.007 1.00 0.00 C ATOM 337 CG HIS A 25 -9.467 1.004 -1.015 1.00 0.00 C ATOM 338 ND1 HIS A 25 -8.941 1.702 0.052 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.810 1.150 -0.934 1.00 0.00 C ATOM 340 CE1 HIS A 25 -9.925 2.244 0.747 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.069 1.924 0.170 1.00 0.00 N ATOM 0 H HIS A 25 -5.895 0.559 -3.215 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.583 1.533 -3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.251 -0.418 -2.572 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.890 -0.338 -1.470 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.948 1.786 0.270 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.542 0.735 -1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.813 2.847 1.636 1.00 0.00 H new ATOM 350 N ALA A 26 -7.612 3.587 -2.769 1.00 0.00 N ATOM 351 CA ALA A 26 -7.147 4.825 -2.156 1.00 0.00 C ATOM 352 C ALA A 26 -8.312 5.760 -1.855 1.00 0.00 C ATOM 353 O ALA A 26 -9.424 5.560 -2.345 1.00 0.00 O ATOM 354 CB ALA A 26 -6.134 5.513 -3.060 1.00 0.00 C ATOM 0 H ALA A 26 -8.158 3.717 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.664 4.575 -1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.795 6.436 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.281 4.853 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.599 5.743 -4.019 1.00 0.00 H new ATOM 360 N TRP A 27 -8.052 6.781 -1.047 1.00 0.00 N ATOM 361 CA TRP A 27 -9.081 7.748 -0.680 1.00 0.00 C ATOM 362 C TRP A 27 -9.426 8.650 -1.860 1.00 0.00 C ATOM 363 O TRP A 27 -8.601 8.868 -2.748 1.00 0.00 O ATOM 364 CB TRP A 27 -8.615 8.594 0.506 1.00 0.00 C ATOM 365 CG TRP A 27 -8.923 7.975 1.835 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.283 6.916 2.414 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.948 8.375 2.751 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.849 6.634 3.634 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.872 7.515 3.864 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.922 9.377 2.740 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.733 7.628 4.952 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.776 9.488 3.820 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.677 8.618 4.914 1.00 0.00 C ATOM 0 H TRP A 27 -7.137 6.961 -0.633 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.977 7.197 -0.394 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.540 8.754 0.428 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.088 9.575 0.452 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.454 6.379 1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.555 5.889 4.266 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -11.006 10.053 1.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.659 6.958 5.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.533 10.258 3.821 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.359 8.731 5.744 1.00 0.00 H new ATOM 384 N CYS A 28 -10.648 9.171 -1.863 1.00 0.00 N ATOM 385 CA CYS A 28 -11.102 10.049 -2.935 1.00 0.00 C ATOM 386 C CYS A 28 -10.482 11.436 -2.801 1.00 0.00 C ATOM 387 O CYS A 28 -10.862 12.215 -1.927 1.00 0.00 O ATOM 388 CB CYS A 28 -12.628 10.155 -2.924 1.00 0.00 C ATOM 389 SG CYS A 28 -13.479 8.576 -3.148 1.00 0.00 S ATOM 0 H CYS A 28 -11.342 9.001 -1.135 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.782 9.619 -3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.944 10.595 -1.978 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.940 10.839 -3.714 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.764 8.768 -3.122 1.00 0.00 H new ATOM 395 N GLY A 29 -9.525 11.738 -3.673 1.00 0.00 N ATOM 396 CA GLY A 29 -8.866 13.031 -3.633 1.00 0.00 C ATOM 397 C GLY A 29 -7.436 12.968 -4.130 1.00 0.00 C ATOM 398 O GLY A 29 -6.516 12.687 -3.363 1.00 0.00 O ATOM 0 H GLY A 29 -9.194 11.111 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.428 13.741 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.876 13.409 -2.611 1.00 0.00 H new ATOM 402 N GLY A 30 -7.247 13.230 -5.420 1.00 0.00 N ATOM 403 CA GLY A 30 -5.916 13.195 -5.998 1.00 0.00 C ATOM 404 C GLY A 30 -5.612 11.873 -6.674 1.00 0.00 C ATOM 405 O GLY A 30 -6.237 10.857 -6.374 1.00 0.00 O ATOM 0 H GLY A 30 -7.992 13.466 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.817 14.002 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.179 13.378 -5.216 1.00 0.00 H new ATOM 409 N ASN A 31 -4.650 11.887 -7.591 1.00 0.00 N ATOM 410 CA ASN A 31 -4.266 10.680 -8.314 1.00 0.00 C ATOM 411 C ASN A 31 -2.900 10.181 -7.853 1.00 0.00 C ATOM 412 O ASN A 31 -1.876 10.812 -8.116 1.00 0.00 O ATOM 413 CB ASN A 31 -4.241 10.949 -9.820 1.00 0.00 C ATOM 414 CG ASN A 31 -5.634 11.076 -10.408 1.00 0.00 C ATOM 415 OD1 ASN A 31 -6.569 10.406 -9.968 1.00 0.00 O ATOM 416 ND2 ASN A 31 -5.778 11.938 -11.407 1.00 0.00 N ATOM 0 H ASN A 31 -4.122 12.720 -7.851 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.006 9.908 -8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.683 11.865 -10.013 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.710 10.140 -10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.692 12.066 -11.842 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.975 12.472 -11.739 1.00 0.00 H new ATOM 423 N PHE A 32 -2.893 9.045 -7.164 1.00 0.00 N ATOM 424 CA PHE A 32 -1.653 8.461 -6.666 1.00 0.00 C ATOM 425 C PHE A 32 -1.229 7.271 -7.523 1.00 0.00 C ATOM 426 O PHE A 32 -0.046 7.093 -7.816 1.00 0.00 O ATOM 427 CB PHE A 32 -1.821 8.020 -5.210 1.00 0.00 C ATOM 428 CG PHE A 32 -1.488 9.096 -4.216 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.261 9.739 -4.256 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.402 9.465 -3.242 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.048 10.729 -3.343 1.00 0.00 C ATOM 432 CE2 PHE A 32 -2.098 10.455 -2.326 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.872 11.088 -2.377 1.00 0.00 C ATOM 0 H PHE A 32 -3.732 8.510 -6.938 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.875 9.222 -6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.850 7.697 -5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.184 7.155 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.462 9.463 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.363 8.974 -3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.008 11.222 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.819 10.733 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.633 11.862 -1.663 1.00 0.00 H new ATOM 443 N LEU A 33 -2.202 6.460 -7.921 1.00 0.00 N ATOM 444 CA LEU A 33 -1.932 5.286 -8.744 1.00 0.00 C ATOM 445 C LEU A 33 -0.830 5.575 -9.758 1.00 0.00 C ATOM 446 O LEU A 33 -0.036 4.697 -10.094 1.00 0.00 O ATOM 447 CB LEU A 33 -3.204 4.842 -9.468 1.00 0.00 C ATOM 448 CG LEU A 33 -3.176 3.439 -10.074 1.00 0.00 C ATOM 449 CD1 LEU A 33 -3.024 2.390 -8.983 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.436 3.184 -10.889 1.00 0.00 C ATOM 0 H LEU A 33 -3.186 6.593 -7.687 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.596 4.482 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.036 4.896 -8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.413 5.556 -10.265 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.316 3.369 -10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.006 1.397 -9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.093 2.560 -8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.864 2.460 -8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.398 2.180 -11.313 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.310 3.273 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.503 3.916 -11.694 1.00 0.00 H new ATOM 462 N GLU A 34 -0.787 6.813 -10.242 1.00 0.00 N ATOM 463 CA GLU A 34 0.219 7.217 -11.217 1.00 0.00 C ATOM 464 C GLU A 34 1.625 7.049 -10.649 1.00 0.00 C ATOM 465 O GLU A 34 2.393 6.200 -11.102 1.00 0.00 O ATOM 466 CB GLU A 34 -0.003 8.672 -11.638 1.00 0.00 C ATOM 467 CG GLU A 34 0.648 9.027 -12.964 1.00 0.00 C ATOM 468 CD GLU A 34 0.101 10.311 -13.557 1.00 0.00 C ATOM 469 OE1 GLU A 34 -0.934 10.249 -14.253 1.00 0.00 O ATOM 470 OE2 GLU A 34 0.708 11.378 -13.326 1.00 0.00 O ATOM 0 H GLU A 34 -1.437 7.553 -9.975 1.00 0.00 H new ATOM 0 HA GLU A 34 0.120 6.574 -12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.074 8.863 -11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.389 9.330 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.724 9.127 -12.821 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.494 8.211 -13.670 1.00 0.00 H new ATOM 477 N VAL A 35 1.957 7.866 -9.654 1.00 0.00 N ATOM 478 CA VAL A 35 3.270 7.809 -9.023 1.00 0.00 C ATOM 479 C VAL A 35 3.555 6.416 -8.472 1.00 0.00 C ATOM 480 O VAL A 35 4.686 5.933 -8.527 1.00 0.00 O ATOM 481 CB VAL A 35 3.390 8.836 -7.882 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.720 8.313 -6.620 1.00 0.00 C ATOM 483 CG2 VAL A 35 4.850 9.172 -7.619 1.00 0.00 C ATOM 0 H VAL A 35 1.334 8.575 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 35 4.002 8.048 -9.794 1.00 0.00 H new ATOM 0 HB VAL A 35 2.879 9.750 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.815 9.052 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.664 8.127 -6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.200 7.384 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.916 9.899 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.387 8.266 -7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.295 9.592 -8.521 1.00 0.00 H new ATOM 493 N THR A 36 2.519 5.774 -7.940 1.00 0.00 N ATOM 494 CA THR A 36 2.657 4.436 -7.377 1.00 0.00 C ATOM 495 C THR A 36 3.111 3.439 -8.436 1.00 0.00 C ATOM 496 O THR A 36 3.830 2.486 -8.135 1.00 0.00 O ATOM 497 CB THR A 36 1.333 3.947 -6.761 1.00 0.00 C ATOM 498 OG1 THR A 36 0.953 4.799 -5.675 1.00 0.00 O ATOM 499 CG2 THR A 36 1.462 2.514 -6.268 1.00 0.00 C ATOM 0 H THR A 36 1.576 6.159 -7.887 1.00 0.00 H new ATOM 0 HA THR A 36 3.412 4.498 -6.593 1.00 0.00 H new ATOM 0 HB THR A 36 0.565 3.980 -7.533 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.011 4.645 -5.452 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.514 2.191 -5.837 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.721 1.864 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.243 2.459 -5.510 1.00 0.00 H new ATOM 507 N GLU A 37 2.688 3.664 -9.676 1.00 0.00 N ATOM 508 CA GLU A 37 3.053 2.783 -10.779 1.00 0.00 C ATOM 509 C GLU A 37 4.505 3.003 -11.194 1.00 0.00 C ATOM 510 O GLU A 37 5.312 2.074 -11.180 1.00 0.00 O ATOM 511 CB GLU A 37 2.128 3.017 -11.975 1.00 0.00 C ATOM 512 CG GLU A 37 0.805 2.277 -11.876 1.00 0.00 C ATOM 513 CD GLU A 37 0.242 1.903 -13.233 1.00 0.00 C ATOM 514 OE1 GLU A 37 0.338 2.730 -14.164 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.295 0.783 -13.364 1.00 0.00 O ATOM 0 H GLU A 37 2.093 4.448 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 37 2.943 1.753 -10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.931 4.085 -12.068 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.640 2.707 -12.886 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.942 1.373 -11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.084 2.900 -11.347 1.00 0.00 H new ATOM 522 N GLN A 38 4.828 4.238 -11.563 1.00 0.00 N ATOM 523 CA GLN A 38 6.182 4.580 -11.983 1.00 0.00 C ATOM 524 C GLN A 38 7.211 4.040 -10.995 1.00 0.00 C ATOM 525 O GLN A 38 8.296 3.610 -11.387 1.00 0.00 O ATOM 526 CB GLN A 38 6.330 6.097 -12.115 1.00 0.00 C ATOM 527 CG GLN A 38 6.586 6.800 -10.791 1.00 0.00 C ATOM 528 CD GLN A 38 7.118 8.208 -10.972 1.00 0.00 C ATOM 529 OE1 GLN A 38 8.089 8.605 -10.328 1.00 0.00 O ATOM 530 NE2 GLN A 38 6.482 8.973 -11.852 1.00 0.00 N ATOM 0 H GLN A 38 4.171 5.018 -11.580 1.00 0.00 H new ATOM 0 HA GLN A 38 6.362 4.119 -12.954 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.151 6.316 -12.798 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.424 6.505 -12.564 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.659 6.837 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.299 6.218 -10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.681 8.603 -12.364 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.794 9.930 -12.016 1.00 0.00 H new ATOM 539 N ILE A 39 6.864 4.067 -9.713 1.00 0.00 N ATOM 540 CA ILE A 39 7.757 3.580 -8.669 1.00 0.00 C ATOM 541 C ILE A 39 7.833 2.057 -8.677 1.00 0.00 C ATOM 542 O ILE A 39 8.917 1.478 -8.608 1.00 0.00 O ATOM 543 CB ILE A 39 7.306 4.053 -7.275 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.396 5.578 -7.176 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.150 3.396 -6.193 1.00 0.00 C ATOM 546 CD1 ILE A 39 8.801 6.112 -7.343 1.00 0.00 C ATOM 0 H ILE A 39 5.970 4.421 -9.372 1.00 0.00 H new ATOM 0 HA ILE A 39 8.744 3.992 -8.881 1.00 0.00 H new ATOM 0 HB ILE A 39 6.267 3.758 -7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.754 6.022 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.008 5.895 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.819 3.741 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.040 2.313 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.197 3.663 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.789 7.199 -7.261 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.443 5.697 -6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.185 5.826 -8.322 1.00 0.00 H new ATOM 558 N LEU A 40 6.674 1.413 -8.763 1.00 0.00 N ATOM 559 CA LEU A 40 6.607 -0.044 -8.782 1.00 0.00 C ATOM 560 C LEU A 40 7.579 -0.620 -9.807 1.00 0.00 C ATOM 561 O LEU A 40 8.340 -1.539 -9.507 1.00 0.00 O ATOM 562 CB LEU A 40 5.183 -0.505 -9.097 1.00 0.00 C ATOM 563 CG LEU A 40 4.201 -0.501 -7.925 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.775 -0.677 -8.423 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.559 -1.592 -6.926 1.00 0.00 C ATOM 0 H LEU A 40 5.768 1.877 -8.821 1.00 0.00 H new ATOM 0 HA LEU A 40 6.890 -0.409 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.781 0.134 -9.884 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.231 -1.516 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 40 4.271 0.463 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.090 -0.672 -7.575 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.522 0.140 -9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.689 -1.626 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.850 -1.575 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.518 -2.564 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.566 -1.420 -6.545 1.00 0.00 H new ATOM 577 N ALA A 41 7.549 -0.071 -11.017 1.00 0.00 N ATOM 578 CA ALA A 41 8.430 -0.527 -12.085 1.00 0.00 C ATOM 579 C ALA A 41 9.893 -0.434 -11.667 1.00 0.00 C ATOM 580 O ALA A 41 10.758 -1.094 -12.244 1.00 0.00 O ATOM 581 CB ALA A 41 8.188 0.282 -13.351 1.00 0.00 C ATOM 0 H ALA A 41 6.924 0.690 -11.282 1.00 0.00 H new ATOM 0 HA ALA A 41 8.203 -1.574 -12.287 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.853 -0.069 -14.140 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.152 0.160 -13.668 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.385 1.336 -13.153 1.00 0.00 H new ATOM 587 N LYS A 42 10.165 0.390 -10.660 1.00 0.00 N ATOM 588 CA LYS A 42 11.524 0.570 -10.163 1.00 0.00 C ATOM 589 C LYS A 42 11.770 -0.292 -8.929 1.00 0.00 C ATOM 590 O LYS A 42 12.890 -0.746 -8.691 1.00 0.00 O ATOM 591 CB LYS A 42 11.776 2.042 -9.830 1.00 0.00 C ATOM 592 CG LYS A 42 11.965 2.919 -11.055 1.00 0.00 C ATOM 593 CD LYS A 42 11.503 4.344 -10.797 1.00 0.00 C ATOM 594 CE LYS A 42 12.496 5.104 -9.932 1.00 0.00 C ATOM 595 NZ LYS A 42 12.191 4.959 -8.481 1.00 0.00 N ATOM 0 H LYS A 42 9.461 0.944 -10.172 1.00 0.00 H new ATOM 0 HA LYS A 42 12.216 0.258 -10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.937 2.423 -9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.662 2.117 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.016 2.923 -11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.407 2.501 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.374 4.863 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.529 4.329 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.504 4.739 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.480 6.160 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.605 5.757 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.160 4.951 -8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.595 4.068 -8.129 1.00 0.00 H new ATOM 609 N ILE A 43 10.718 -0.513 -8.148 1.00 0.00 N ATOM 610 CA ILE A 43 10.822 -1.323 -6.940 1.00 0.00 C ATOM 611 C ILE A 43 11.122 -2.779 -7.278 1.00 0.00 C ATOM 612 O ILE A 43 10.441 -3.408 -8.088 1.00 0.00 O ATOM 613 CB ILE A 43 9.528 -1.257 -6.107 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.286 0.170 -5.611 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.603 -2.225 -4.936 1.00 0.00 C ATOM 616 CD1 ILE A 43 7.924 0.369 -4.983 1.00 0.00 C ATOM 0 H ILE A 43 9.785 -0.143 -8.330 1.00 0.00 H new ATOM 0 HA ILE A 43 11.644 -0.913 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 43 8.690 -1.547 -6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.054 0.428 -4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.396 0.860 -6.447 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.682 -2.167 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.733 -3.240 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.448 -1.962 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.822 1.403 -4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.149 0.143 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.818 -0.296 -4.126 1.00 0.00 H new ATOM 628 N PRO A 44 12.167 -3.330 -6.642 1.00 0.00 N ATOM 629 CA PRO A 44 12.581 -4.720 -6.857 1.00 0.00 C ATOM 630 C PRO A 44 11.580 -5.718 -6.285 1.00 0.00 C ATOM 631 O PRO A 44 10.617 -5.334 -5.622 1.00 0.00 O ATOM 632 CB PRO A 44 13.914 -4.812 -6.111 1.00 0.00 C ATOM 633 CG PRO A 44 13.838 -3.753 -5.066 1.00 0.00 C ATOM 634 CD PRO A 44 13.024 -2.639 -5.664 1.00 0.00 C ATOM 0 HA PRO A 44 12.652 -4.965 -7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.051 -5.798 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.756 -4.645 -6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.371 -4.134 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.833 -3.405 -4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.434 -2.122 -4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.656 -1.891 -6.142 1.00 0.00 H new ATOM 642 N SER A 45 11.816 -7.000 -6.545 1.00 0.00 N ATOM 643 CA SER A 45 10.932 -8.053 -6.058 1.00 0.00 C ATOM 644 C SER A 45 11.673 -8.984 -5.102 1.00 0.00 C ATOM 645 O SER A 45 11.264 -10.126 -4.891 1.00 0.00 O ATOM 646 CB SER A 45 10.364 -8.854 -7.231 1.00 0.00 C ATOM 647 OG SER A 45 11.366 -9.655 -7.834 1.00 0.00 O ATOM 0 H SER A 45 12.611 -7.334 -7.090 1.00 0.00 H new ATOM 0 HA SER A 45 10.110 -7.583 -5.517 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.549 -9.488 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.944 -8.173 -7.971 1.00 0.00 H new ATOM 0 HG SER A 45 10.978 -10.158 -8.580 1.00 0.00 H new ATOM 653 N GLU A 46 12.764 -8.487 -4.528 1.00 0.00 N ATOM 654 CA GLU A 46 13.562 -9.275 -3.596 1.00 0.00 C ATOM 655 C GLU A 46 13.048 -9.114 -2.169 1.00 0.00 C ATOM 656 O GLU A 46 12.546 -8.055 -1.794 1.00 0.00 O ATOM 657 CB GLU A 46 15.032 -8.858 -3.670 1.00 0.00 C ATOM 658 CG GLU A 46 15.709 -9.243 -4.975 1.00 0.00 C ATOM 659 CD GLU A 46 17.189 -8.913 -4.984 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.872 -9.223 -3.985 1.00 0.00 O ATOM 661 OE2 GLU A 46 17.665 -8.344 -5.989 1.00 0.00 O ATOM 0 H GLU A 46 13.115 -7.543 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 46 13.474 -10.324 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.102 -7.778 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.573 -9.315 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.578 -10.311 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.220 -8.725 -5.800 1.00 0.00 H new ATOM 668 N ASN A 47 13.176 -10.173 -1.376 1.00 0.00 N ATOM 669 CA ASN A 47 12.724 -10.150 0.010 1.00 0.00 C ATOM 670 C ASN A 47 13.515 -9.130 0.824 1.00 0.00 C ATOM 671 O ASN A 47 14.464 -9.481 1.522 1.00 0.00 O ATOM 672 CB ASN A 47 12.864 -11.539 0.637 1.00 0.00 C ATOM 673 CG ASN A 47 14.161 -12.222 0.246 1.00 0.00 C ATOM 674 OD1 ASN A 47 14.077 -13.505 -0.085 1.00 0.00 O flip ATOM 675 ND2 ASN A 47 15.225 -11.602 0.241 1.00 0.00 N flip ATOM 0 H ASN A 47 13.589 -11.058 -1.670 1.00 0.00 H new ATOM 0 HA ASN A 47 11.674 -9.859 0.019 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.816 -11.451 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.023 -12.160 0.330 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.242 -10.616 0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.089 -12.074 -0.025 1.00 0.00 H new ATOM 682 N ASN A 48 13.114 -7.866 0.728 1.00 0.00 N ATOM 683 CA ASN A 48 13.785 -6.795 1.455 1.00 0.00 C ATOM 684 C ASN A 48 13.054 -5.469 1.266 1.00 0.00 C ATOM 685 O ASN A 48 12.834 -5.023 0.140 1.00 0.00 O ATOM 686 CB ASN A 48 15.235 -6.662 0.985 1.00 0.00 C ATOM 687 CG ASN A 48 15.346 -6.543 -0.523 1.00 0.00 C ATOM 688 OD1 ASN A 48 15.219 -7.531 -1.246 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.584 -5.328 -1.005 1.00 0.00 N ATOM 0 H ASN A 48 12.328 -7.559 0.154 1.00 0.00 H new ATOM 0 HA ASN A 48 13.775 -7.047 2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.686 -5.785 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.804 -7.529 1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.668 -5.186 -2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.682 -4.537 -0.368 1.00 0.00 H new ATOM 696 N LYS A 49 12.680 -4.843 2.377 1.00 0.00 N ATOM 697 CA LYS A 49 11.976 -3.567 2.337 1.00 0.00 C ATOM 698 C LYS A 49 12.956 -2.401 2.413 1.00 0.00 C ATOM 699 O LYS A 49 14.051 -2.532 2.962 1.00 0.00 O ATOM 700 CB LYS A 49 10.972 -3.479 3.489 1.00 0.00 C ATOM 701 CG LYS A 49 11.620 -3.495 4.862 1.00 0.00 C ATOM 702 CD LYS A 49 11.725 -4.908 5.412 1.00 0.00 C ATOM 703 CE LYS A 49 11.617 -4.925 6.929 1.00 0.00 C ATOM 704 NZ LYS A 49 10.216 -4.713 7.388 1.00 0.00 N ATOM 0 H LYS A 49 12.853 -5.199 3.317 1.00 0.00 H new ATOM 0 HA LYS A 49 11.440 -3.506 1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.388 -2.565 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.274 -4.313 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.614 -3.052 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.038 -2.879 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.936 -5.526 4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.675 -5.348 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.983 -5.879 7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.258 -4.149 7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.154 -4.898 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.933 -3.731 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.582 -5.362 6.879 1.00 0.00 H new ATOM 718 N LEU A 50 12.557 -1.261 1.860 1.00 0.00 N ATOM 719 CA LEU A 50 13.400 -0.071 1.866 1.00 0.00 C ATOM 720 C LEU A 50 12.559 1.192 2.017 1.00 0.00 C ATOM 721 O LEU A 50 11.415 1.247 1.563 1.00 0.00 O ATOM 722 CB LEU A 50 14.224 0.001 0.579 1.00 0.00 C ATOM 723 CG LEU A 50 14.953 1.321 0.323 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.237 1.078 -0.456 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.051 2.293 -0.423 1.00 0.00 C ATOM 0 H LEU A 50 11.654 -1.136 1.402 1.00 0.00 H new ATOM 0 HA LEU A 50 14.075 -0.139 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 50 14.962 -0.801 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.562 -0.195 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 50 15.213 1.763 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.743 2.028 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.890 0.418 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.000 0.614 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.586 3.226 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.760 1.859 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.159 2.491 0.172 1.00 0.00 H new ATOM 737 N THR A 51 13.132 2.207 2.656 1.00 0.00 N ATOM 738 CA THR A 51 12.436 3.470 2.865 1.00 0.00 C ATOM 739 C THR A 51 12.663 4.423 1.697 1.00 0.00 C ATOM 740 O THR A 51 13.737 5.009 1.561 1.00 0.00 O ATOM 741 CB THR A 51 12.892 4.154 4.167 1.00 0.00 C ATOM 742 OG1 THR A 51 12.831 3.226 5.256 1.00 0.00 O ATOM 743 CG2 THR A 51 12.024 5.364 4.476 1.00 0.00 C ATOM 0 H THR A 51 14.077 2.179 3.038 1.00 0.00 H new ATOM 0 HA THR A 51 11.374 3.237 2.939 1.00 0.00 H new ATOM 0 HB THR A 51 13.920 4.489 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.124 3.669 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.366 5.830 5.400 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.096 6.082 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.987 5.048 4.591 1.00 0.00 H new ATOM 751 N TYR A 52 11.645 4.575 0.857 1.00 0.00 N ATOM 752 CA TYR A 52 11.735 5.456 -0.301 1.00 0.00 C ATOM 753 C TYR A 52 10.963 6.751 -0.061 1.00 0.00 C ATOM 754 O TYR A 52 9.761 6.730 0.203 1.00 0.00 O ATOM 755 CB TYR A 52 11.196 4.752 -1.547 1.00 0.00 C ATOM 756 CG TYR A 52 11.741 5.312 -2.842 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.414 6.597 -3.258 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.581 4.555 -3.650 1.00 0.00 C ATOM 759 CE1 TYR A 52 11.909 7.112 -4.440 1.00 0.00 C ATOM 760 CE2 TYR A 52 13.081 5.063 -4.833 1.00 0.00 C ATOM 761 CZ TYR A 52 12.742 6.342 -5.224 1.00 0.00 C ATOM 762 OH TYR A 52 13.238 6.851 -6.403 1.00 0.00 O ATOM 0 H TYR A 52 10.748 4.099 0.957 1.00 0.00 H new ATOM 0 HA TYR A 52 12.785 5.703 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.439 3.691 -1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.109 4.830 -1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.762 7.203 -2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.847 3.553 -3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 52 11.645 8.113 -4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.734 4.462 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 52 13.983 6.294 -6.712 1.00 0.00 H new ATOM 772 N SER A 53 11.664 7.876 -0.157 1.00 0.00 N ATOM 773 CA SER A 53 11.047 9.181 0.053 1.00 0.00 C ATOM 774 C SER A 53 10.735 9.854 -1.280 1.00 0.00 C ATOM 775 O SER A 53 11.559 9.857 -2.196 1.00 0.00 O ATOM 776 CB SER A 53 11.967 10.075 0.886 1.00 0.00 C ATOM 777 OG SER A 53 13.264 10.141 0.320 1.00 0.00 O ATOM 0 H SER A 53 12.659 7.910 -0.379 1.00 0.00 H new ATOM 0 HA SER A 53 10.112 9.032 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.544 11.077 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.030 9.689 1.904 1.00 0.00 H new ATOM 0 HG SER A 53 13.832 10.720 0.870 1.00 0.00 H new ATOM 783 N HIS A 54 9.538 10.424 -1.383 1.00 0.00 N ATOM 784 CA HIS A 54 9.116 11.101 -2.603 1.00 0.00 C ATOM 785 C HIS A 54 8.777 12.563 -2.324 1.00 0.00 C ATOM 786 O HIS A 54 7.665 12.883 -1.905 1.00 0.00 O ATOM 787 CB HIS A 54 7.907 10.392 -3.213 1.00 0.00 C ATOM 788 CG HIS A 54 7.172 11.221 -4.222 1.00 0.00 C ATOM 789 ND1 HIS A 54 5.921 11.753 -3.992 1.00 0.00 N ATOM 790 CD2 HIS A 54 7.521 11.609 -5.471 1.00 0.00 C ATOM 791 CE1 HIS A 54 5.531 12.431 -5.056 1.00 0.00 C ATOM 792 NE2 HIS A 54 6.484 12.360 -5.968 1.00 0.00 N ATOM 0 H HIS A 54 8.844 10.430 -0.636 1.00 0.00 H new ATOM 0 HA HIS A 54 9.943 11.067 -3.312 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.239 9.468 -3.687 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.220 10.112 -2.415 1.00 0.00 H new ATOM 0 HD2 HIS A 54 8.443 11.372 -5.981 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.592 12.955 -5.162 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.455 12.793 -6.891 1.00 0.00 H new ATOM 801 N GLY A 55 9.744 13.445 -2.558 1.00 0.00 N ATOM 802 CA GLY A 55 9.528 14.861 -2.325 1.00 0.00 C ATOM 803 C GLY A 55 9.008 15.147 -0.930 1.00 0.00 C ATOM 804 O GLY A 55 9.690 14.884 0.059 1.00 0.00 O ATOM 0 H GLY A 55 10.673 13.204 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.464 15.398 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.818 15.243 -3.059 1.00 0.00 H new ATOM 808 N ASN A 56 7.797 15.688 -0.851 1.00 0.00 N ATOM 809 CA ASN A 56 7.187 16.011 0.434 1.00 0.00 C ATOM 810 C ASN A 56 6.519 14.783 1.044 1.00 0.00 C ATOM 811 O ASN A 56 6.383 14.679 2.264 1.00 0.00 O ATOM 812 CB ASN A 56 6.160 17.133 0.267 1.00 0.00 C ATOM 813 CG ASN A 56 6.677 18.265 -0.600 1.00 0.00 C ATOM 814 OD1 ASN A 56 7.476 19.088 -0.154 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.221 18.311 -1.847 1.00 0.00 N ATOM 0 H ASN A 56 7.219 15.912 -1.661 1.00 0.00 H new ATOM 0 HA ASN A 56 7.976 16.346 1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.250 16.727 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.890 17.524 1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.533 19.050 -2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.559 17.607 -2.174 1.00 0.00 H new ATOM 822 N TYR A 57 6.106 13.855 0.189 1.00 0.00 N ATOM 823 CA TYR A 57 5.451 12.634 0.643 1.00 0.00 C ATOM 824 C TYR A 57 6.454 11.490 0.764 1.00 0.00 C ATOM 825 O TYR A 57 7.468 11.461 0.066 1.00 0.00 O ATOM 826 CB TYR A 57 4.329 12.243 -0.321 1.00 0.00 C ATOM 827 CG TYR A 57 2.988 12.846 0.035 1.00 0.00 C ATOM 828 CD1 TYR A 57 2.141 12.219 0.939 1.00 0.00 C ATOM 829 CD2 TYR A 57 2.570 14.043 -0.534 1.00 0.00 C ATOM 830 CE1 TYR A 57 0.915 12.766 1.266 1.00 0.00 C ATOM 831 CE2 TYR A 57 1.347 14.598 -0.212 1.00 0.00 C ATOM 832 CZ TYR A 57 0.523 13.955 0.688 1.00 0.00 C ATOM 833 OH TYR A 57 -0.697 14.504 1.012 1.00 0.00 O ATOM 0 H TYR A 57 6.213 13.925 -0.823 1.00 0.00 H new ATOM 0 HA TYR A 57 5.025 12.826 1.628 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.602 12.555 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.237 11.157 -0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.446 11.288 1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.213 14.548 -1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 57 0.267 12.265 1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.038 15.530 -0.662 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.820 15.342 0.519 1.00 0.00 H new ATOM 843 N LEU A 58 6.162 10.548 1.654 1.00 0.00 N ATOM 844 CA LEU A 58 7.037 9.400 1.868 1.00 0.00 C ATOM 845 C LEU A 58 6.440 8.139 1.252 1.00 0.00 C ATOM 846 O LEU A 58 5.221 8.004 1.147 1.00 0.00 O ATOM 847 CB LEU A 58 7.275 9.187 3.364 1.00 0.00 C ATOM 848 CG LEU A 58 7.807 10.394 4.137 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.403 10.311 5.601 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.320 10.487 4.004 1.00 0.00 C ATOM 0 H LEU A 58 5.326 10.556 2.239 1.00 0.00 H new ATOM 0 HA LEU A 58 7.990 9.605 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.336 8.874 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.979 8.364 3.486 1.00 0.00 H new ATOM 0 HG LEU A 58 7.368 11.296 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.791 11.179 6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.316 10.293 5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.813 9.402 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.682 11.352 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.777 9.582 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.587 10.594 2.953 1.00 0.00 H new ATOM 862 N PHE A 59 7.307 7.217 0.847 1.00 0.00 N ATOM 863 CA PHE A 59 6.866 5.966 0.242 1.00 0.00 C ATOM 864 C PHE A 59 7.473 4.768 0.968 1.00 0.00 C ATOM 865 O PHE A 59 8.693 4.646 1.076 1.00 0.00 O ATOM 866 CB PHE A 59 7.249 5.927 -1.238 1.00 0.00 C ATOM 867 CG PHE A 59 6.332 6.729 -2.116 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.128 8.079 -1.877 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.674 6.134 -3.180 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.283 8.819 -2.683 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.828 6.870 -3.990 1.00 0.00 C ATOM 872 CZ PHE A 59 4.633 8.214 -3.741 1.00 0.00 C ATOM 0 H PHE A 59 8.319 7.313 0.927 1.00 0.00 H new ATOM 0 HA PHE A 59 5.781 5.911 0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.267 6.301 -1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.250 4.891 -1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.635 8.558 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.823 5.083 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.131 9.870 -2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.321 6.394 -4.816 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.974 8.791 -4.372 1.00 0.00 H new ATOM 882 N HIS A 60 6.611 3.885 1.463 1.00 0.00 N ATOM 883 CA HIS A 60 7.061 2.696 2.178 1.00 0.00 C ATOM 884 C HIS A 60 6.584 1.428 1.477 1.00 0.00 C ATOM 885 O HIS A 60 5.383 1.178 1.373 1.00 0.00 O ATOM 886 CB HIS A 60 6.551 2.719 3.620 1.00 0.00 C ATOM 887 CG HIS A 60 6.604 4.075 4.252 1.00 0.00 C ATOM 888 ND1 HIS A 60 7.738 4.582 4.851 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.655 5.032 4.376 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.483 5.792 5.318 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.226 6.089 5.042 1.00 0.00 N ATOM 0 H HIS A 60 5.598 3.970 1.382 1.00 0.00 H new ATOM 0 HA HIS A 60 8.151 2.697 2.186 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.523 2.358 3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.143 2.025 4.217 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.638 4.975 4.018 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.183 6.429 5.837 1.00 0.00 H new ATOM 0 HE2 HIS A 60 5.756 6.961 5.284 1.00 0.00 H new ATOM 900 N TYR A 61 7.532 0.630 0.998 1.00 0.00 N ATOM 901 CA TYR A 61 7.209 -0.611 0.304 1.00 0.00 C ATOM 902 C TYR A 61 7.889 -1.802 0.973 1.00 0.00 C ATOM 903 O TYR A 61 9.075 -1.749 1.301 1.00 0.00 O ATOM 904 CB TYR A 61 7.632 -0.524 -1.163 1.00 0.00 C ATOM 905 CG TYR A 61 9.060 -0.959 -1.408 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.413 -2.302 -1.374 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.055 -0.027 -1.674 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.716 -2.704 -1.596 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.360 -0.419 -1.900 1.00 0.00 C ATOM 910 CZ TYR A 61 11.686 -1.759 -1.859 1.00 0.00 C ATOM 911 OH TYR A 61 12.984 -2.155 -2.082 1.00 0.00 O ATOM 0 H TYR A 61 8.531 0.821 1.078 1.00 0.00 H new ATOM 0 HA TYR A 61 6.130 -0.757 0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.964 -1.143 -1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.510 0.503 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.656 -3.045 -1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.804 1.023 -1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.974 -3.752 -1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.121 0.319 -2.108 1.00 0.00 H new ATOM 0 HH TYR A 61 13.541 -1.367 -2.253 1.00 0.00 H new ATOM 921 N ILE A 62 7.130 -2.874 1.170 1.00 0.00 N ATOM 922 CA ILE A 62 7.659 -4.079 1.797 1.00 0.00 C ATOM 923 C ILE A 62 7.540 -5.281 0.865 1.00 0.00 C ATOM 924 O ILE A 62 6.455 -5.836 0.688 1.00 0.00 O ATOM 925 CB ILE A 62 6.930 -4.393 3.117 1.00 0.00 C ATOM 926 CG1 ILE A 62 7.095 -3.234 4.103 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.458 -5.687 3.718 1.00 0.00 C ATOM 928 CD1 ILE A 62 6.226 -3.361 5.335 1.00 0.00 C ATOM 0 H ILE A 62 6.147 -2.933 0.905 1.00 0.00 H new ATOM 0 HA ILE A 62 8.711 -3.889 2.009 1.00 0.00 H new ATOM 0 HB ILE A 62 5.868 -4.519 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.139 -3.174 4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.858 -2.299 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.933 -5.896 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.294 -6.507 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.525 -5.587 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.395 -2.505 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.177 -3.390 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.479 -4.279 5.866 1.00 0.00 H new ATOM 940 N CYS A 63 8.661 -5.678 0.275 1.00 0.00 N ATOM 941 CA CYS A 63 8.684 -6.815 -0.638 1.00 0.00 C ATOM 942 C CYS A 63 8.543 -8.128 0.126 1.00 0.00 C ATOM 943 O CYS A 63 9.317 -8.411 1.040 1.00 0.00 O ATOM 944 CB CYS A 63 9.980 -6.820 -1.449 1.00 0.00 C ATOM 945 SG CYS A 63 9.937 -7.891 -2.905 1.00 0.00 S ATOM 0 H CYS A 63 9.567 -5.229 0.412 1.00 0.00 H new ATOM 0 HA CYS A 63 7.839 -6.719 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.200 -5.801 -1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.799 -7.136 -0.803 1.00 0.00 H new ATOM 0 HG CYS A 63 10.347 -9.081 -2.580 1.00 0.00 H new ATOM 951 N GLN A 64 7.549 -8.924 -0.255 1.00 0.00 N ATOM 952 CA GLN A 64 7.306 -10.206 0.396 1.00 0.00 C ATOM 953 C GLN A 64 6.436 -11.104 -0.477 1.00 0.00 C ATOM 954 O GLN A 64 5.399 -10.676 -0.984 1.00 0.00 O ATOM 955 CB GLN A 64 6.636 -9.993 1.755 1.00 0.00 C ATOM 956 CG GLN A 64 6.954 -11.082 2.767 1.00 0.00 C ATOM 957 CD GLN A 64 8.203 -10.784 3.572 1.00 0.00 C ATOM 958 OE1 GLN A 64 8.426 -9.650 3.997 1.00 0.00 O ATOM 959 NE2 GLN A 64 9.026 -11.804 3.787 1.00 0.00 N ATOM 0 H GLN A 64 6.900 -8.704 -1.010 1.00 0.00 H new ATOM 0 HA GLN A 64 8.268 -10.697 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.950 -9.030 2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.556 -9.943 1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.109 -11.200 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.080 -12.031 2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.802 -12.727 3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.882 -11.664 4.323 1.00 0.00 H new ATOM 968 N ASP A 65 6.865 -12.349 -0.649 1.00 0.00 N ATOM 969 CA ASP A 65 6.124 -13.308 -1.460 1.00 0.00 C ATOM 970 C ASP A 65 5.871 -12.754 -2.859 1.00 0.00 C ATOM 971 O ASP A 65 4.813 -12.985 -3.446 1.00 0.00 O ATOM 972 CB ASP A 65 4.796 -13.660 -0.789 1.00 0.00 C ATOM 973 CG ASP A 65 4.337 -15.067 -1.114 1.00 0.00 C ATOM 974 OD1 ASP A 65 5.012 -16.025 -0.682 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.304 -15.211 -1.801 1.00 0.00 O ATOM 0 H ASP A 65 7.722 -12.718 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 65 6.726 -14.212 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.899 -13.555 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.033 -12.950 -1.107 1.00 0.00 H new ATOM 980 N ARG A 66 6.847 -12.023 -3.386 1.00 0.00 N ATOM 981 CA ARG A 66 6.728 -11.434 -4.715 1.00 0.00 C ATOM 982 C ARG A 66 5.608 -10.398 -4.752 1.00 0.00 C ATOM 983 O ARG A 66 4.970 -10.197 -5.786 1.00 0.00 O ATOM 984 CB ARG A 66 6.465 -12.523 -5.757 1.00 0.00 C ATOM 985 CG ARG A 66 7.593 -13.534 -5.878 1.00 0.00 C ATOM 986 CD ARG A 66 8.772 -12.964 -6.652 1.00 0.00 C ATOM 987 NE ARG A 66 9.963 -13.801 -6.529 1.00 0.00 N ATOM 988 CZ ARG A 66 10.961 -13.791 -7.406 1.00 0.00 C ATOM 989 NH1 ARG A 66 10.911 -12.993 -8.463 1.00 0.00 N ATOM 990 NH2 ARG A 66 12.011 -14.581 -7.226 1.00 0.00 N ATOM 0 H ARG A 66 7.729 -11.824 -2.914 1.00 0.00 H new ATOM 0 HA ARG A 66 7.668 -10.936 -4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.545 -13.047 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.303 -12.054 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.921 -13.835 -4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.227 -14.431 -6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.503 -12.868 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.994 -11.961 -6.287 1.00 0.00 H new ATOM 0 HE ARG A 66 10.032 -14.427 -5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.105 -12.384 -8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.679 -12.987 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.053 -15.197 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.777 -14.573 -7.900 1.00 0.00 H new ATOM 1004 N ILE A 67 5.374 -9.746 -3.619 1.00 0.00 N ATOM 1005 CA ILE A 67 4.332 -8.731 -3.523 1.00 0.00 C ATOM 1006 C ILE A 67 4.883 -7.430 -2.950 1.00 0.00 C ATOM 1007 O ILE A 67 5.578 -7.431 -1.934 1.00 0.00 O ATOM 1008 CB ILE A 67 3.160 -9.209 -2.646 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.820 -10.667 -2.962 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.944 -8.319 -2.855 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.515 -10.914 -4.423 1.00 0.00 C ATOM 0 H ILE A 67 5.892 -9.902 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 67 3.969 -8.554 -4.536 1.00 0.00 H new ATOM 0 HB ILE A 67 3.458 -9.143 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.655 -11.300 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.960 -10.969 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.124 -8.670 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.193 -7.293 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.642 -8.356 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.283 -11.968 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.660 -10.308 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.382 -10.644 -5.026 1.00 0.00 H new ATOM 1023 N VAL A 68 4.566 -6.319 -3.608 1.00 0.00 N ATOM 1024 CA VAL A 68 5.026 -5.009 -3.162 1.00 0.00 C ATOM 1025 C VAL A 68 3.868 -4.168 -2.638 1.00 0.00 C ATOM 1026 O VAL A 68 2.950 -3.824 -3.383 1.00 0.00 O ATOM 1027 CB VAL A 68 5.727 -4.244 -4.301 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.186 -2.875 -3.821 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.900 -5.049 -4.841 1.00 0.00 C ATOM 0 H VAL A 68 3.993 -6.300 -4.451 1.00 0.00 H new ATOM 0 HA VAL A 68 5.739 -5.181 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 68 5.012 -4.098 -5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.679 -2.349 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.323 -2.299 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.885 -2.995 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.383 -4.493 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.618 -5.228 -4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.540 -6.003 -5.225 1.00 0.00 H new ATOM 1039 N TYR A 69 3.917 -3.840 -1.352 1.00 0.00 N ATOM 1040 CA TYR A 69 2.871 -3.041 -0.726 1.00 0.00 C ATOM 1041 C TYR A 69 3.329 -1.599 -0.532 1.00 0.00 C ATOM 1042 O TYR A 69 4.008 -1.277 0.444 1.00 0.00 O ATOM 1043 CB TYR A 69 2.473 -3.647 0.621 1.00 0.00 C ATOM 1044 CG TYR A 69 2.237 -5.140 0.567 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.296 -6.024 0.399 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.956 -5.666 0.682 1.00 0.00 C ATOM 1047 CE1 TYR A 69 3.085 -7.389 0.349 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.737 -7.029 0.634 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.804 -7.886 0.467 1.00 0.00 C ATOM 1050 OH TYR A 69 1.589 -9.244 0.417 1.00 0.00 O ATOM 0 H TYR A 69 4.671 -4.115 -0.722 1.00 0.00 H new ATOM 0 HA TYR A 69 2.004 -3.042 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.256 -3.437 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.567 -3.157 0.977 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.300 -5.638 0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.117 -4.998 0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.919 -8.063 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.265 -7.421 0.727 1.00 0.00 H new ATOM 0 HH TYR A 69 0.689 -9.445 0.749 1.00 0.00 H new ATOM 1060 N LEU A 70 2.953 -0.734 -1.467 1.00 0.00 N ATOM 1061 CA LEU A 70 3.324 0.675 -1.401 1.00 0.00 C ATOM 1062 C LEU A 70 2.200 1.505 -0.789 1.00 0.00 C ATOM 1063 O LEU A 70 1.020 1.230 -1.010 1.00 0.00 O ATOM 1064 CB LEU A 70 3.660 1.201 -2.797 1.00 0.00 C ATOM 1065 CG LEU A 70 4.366 2.556 -2.852 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.279 2.634 -4.066 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.348 3.687 -2.874 1.00 0.00 C ATOM 0 H LEU A 70 2.391 -0.984 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 70 4.205 0.764 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.289 0.466 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.735 1.272 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 70 4.978 2.662 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.773 3.606 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.030 1.846 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.689 2.506 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.868 4.644 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.710 3.585 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.736 3.643 -1.973 1.00 0.00 H new ATOM 1079 N CYS A 71 2.574 2.523 -0.022 1.00 0.00 N ATOM 1080 CA CYS A 71 1.598 3.396 0.621 1.00 0.00 C ATOM 1081 C CYS A 71 2.179 4.787 0.849 1.00 0.00 C ATOM 1082 O CYS A 71 3.295 4.930 1.349 1.00 0.00 O ATOM 1083 CB CYS A 71 1.144 2.794 1.952 1.00 0.00 C ATOM 1084 SG CYS A 71 2.315 3.035 3.308 1.00 0.00 S ATOM 0 H CYS A 71 3.546 2.764 0.170 1.00 0.00 H new ATOM 0 HA CYS A 71 0.737 3.487 -0.041 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.187 3.235 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.976 1.726 1.817 1.00 0.00 H new ATOM 0 HG CYS A 71 3.196 3.928 2.967 1.00 0.00 H new ATOM 1090 N ILE A 72 1.415 5.809 0.478 1.00 0.00 N ATOM 1091 CA ILE A 72 1.855 7.189 0.642 1.00 0.00 C ATOM 1092 C ILE A 72 1.370 7.767 1.967 1.00 0.00 C ATOM 1093 O ILE A 72 0.191 7.662 2.309 1.00 0.00 O ATOM 1094 CB ILE A 72 1.353 8.081 -0.509 1.00 0.00 C ATOM 1095 CG1 ILE A 72 2.041 7.695 -1.820 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.597 9.548 -0.188 1.00 0.00 C ATOM 1097 CD1 ILE A 72 1.301 6.632 -2.601 1.00 0.00 C ATOM 0 H ILE A 72 0.489 5.708 0.062 1.00 0.00 H new ATOM 0 HA ILE A 72 2.945 7.176 0.631 1.00 0.00 H new ATOM 0 HB ILE A 72 0.280 7.929 -0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.145 8.584 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.048 7.339 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.237 10.165 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.065 9.814 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.665 9.717 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.846 6.408 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.219 5.728 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.303 6.993 -2.851 1.00 0.00 H new ATOM 1109 N THR A 73 2.285 8.381 2.710 1.00 0.00 N ATOM 1110 CA THR A 73 1.951 8.977 3.997 1.00 0.00 C ATOM 1111 C THR A 73 2.551 10.372 4.130 1.00 0.00 C ATOM 1112 O THR A 73 3.575 10.678 3.519 1.00 0.00 O ATOM 1113 CB THR A 73 2.447 8.105 5.166 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.867 7.940 5.086 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.772 6.742 5.149 1.00 0.00 C ATOM 0 H THR A 73 3.264 8.479 2.442 1.00 0.00 H new ATOM 0 HA THR A 73 0.864 9.046 4.040 1.00 0.00 H new ATOM 0 HB THR A 73 2.192 8.608 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.262 8.073 5.973 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.138 6.144 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.693 6.869 5.239 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.000 6.235 4.212 1.00 0.00 H new ATOM 1123 N ASP A 74 1.907 11.214 4.930 1.00 0.00 N ATOM 1124 CA ASP A 74 2.378 12.578 5.144 1.00 0.00 C ATOM 1125 C ASP A 74 3.755 12.580 5.800 1.00 0.00 C ATOM 1126 O ASP A 74 4.046 11.746 6.657 1.00 0.00 O ATOM 1127 CB ASP A 74 1.384 13.354 6.010 1.00 0.00 C ATOM 1128 CG ASP A 74 1.573 14.854 5.904 1.00 0.00 C ATOM 1129 OD1 ASP A 74 1.114 15.441 4.901 1.00 0.00 O ATOM 1130 OD2 ASP A 74 2.177 15.442 6.825 1.00 0.00 O ATOM 0 H ASP A 74 1.057 10.976 5.441 1.00 0.00 H new ATOM 0 HA ASP A 74 2.458 13.066 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.368 13.097 5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.497 13.049 7.050 1.00 0.00 H new ATOM 1135 N ASP A 75 4.597 13.523 5.392 1.00 0.00 N ATOM 1136 CA ASP A 75 5.944 13.634 5.941 1.00 0.00 C ATOM 1137 C ASP A 75 5.925 13.495 7.460 1.00 0.00 C ATOM 1138 O ASP A 75 6.646 12.674 8.027 1.00 0.00 O ATOM 1139 CB ASP A 75 6.569 14.973 5.546 1.00 0.00 C ATOM 1140 CG ASP A 75 5.923 16.146 6.257 1.00 0.00 C ATOM 1141 OD1 ASP A 75 4.841 16.585 5.813 1.00 0.00 O ATOM 1142 OD2 ASP A 75 6.498 16.625 7.256 1.00 0.00 O ATOM 0 H ASP A 75 4.371 14.221 4.684 1.00 0.00 H new ATOM 0 HA ASP A 75 6.546 12.825 5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.634 14.955 5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.477 15.110 4.469 1.00 0.00 H new ATOM 1147 N ASP A 76 5.097 14.304 8.112 1.00 0.00 N ATOM 1148 CA ASP A 76 4.984 14.271 9.566 1.00 0.00 C ATOM 1149 C ASP A 76 4.736 12.850 10.060 1.00 0.00 C ATOM 1150 O ASP A 76 5.284 12.431 11.080 1.00 0.00 O ATOM 1151 CB ASP A 76 3.854 15.191 10.032 1.00 0.00 C ATOM 1152 CG ASP A 76 4.327 16.610 10.278 1.00 0.00 C ATOM 1153 OD1 ASP A 76 5.266 16.791 11.081 1.00 0.00 O ATOM 1154 OD2 ASP A 76 3.758 17.540 9.669 1.00 0.00 O ATOM 0 H ASP A 76 4.495 14.990 7.657 1.00 0.00 H new ATOM 0 HA ASP A 76 5.926 14.623 9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.064 15.200 9.282 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.419 14.792 10.948 1.00 0.00 H new ATOM 1159 N PHE A 77 3.906 12.111 9.331 1.00 0.00 N ATOM 1160 CA PHE A 77 3.583 10.737 9.696 1.00 0.00 C ATOM 1161 C PHE A 77 4.833 9.986 10.144 1.00 0.00 C ATOM 1162 O PHE A 77 5.946 10.307 9.727 1.00 0.00 O ATOM 1163 CB PHE A 77 2.934 10.012 8.516 1.00 0.00 C ATOM 1164 CG PHE A 77 2.165 8.785 8.915 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.994 8.894 9.647 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.614 7.524 8.559 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.283 7.767 10.015 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.907 6.393 8.924 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.741 6.515 9.654 1.00 0.00 C ATOM 0 H PHE A 77 3.445 12.441 8.483 1.00 0.00 H new ATOM 0 HA PHE A 77 2.879 10.764 10.528 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.263 10.700 8.002 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.709 9.730 7.803 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.632 9.871 9.933 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.526 7.423 7.990 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.630 7.865 10.584 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.266 5.415 8.639 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.188 5.633 9.942 1.00 0.00 H new ATOM 1179 N GLU A 78 4.641 8.984 10.997 1.00 0.00 N ATOM 1180 CA GLU A 78 5.753 8.188 11.503 1.00 0.00 C ATOM 1181 C GLU A 78 5.926 6.912 10.683 1.00 0.00 C ATOM 1182 O GLU A 78 4.948 6.275 10.292 1.00 0.00 O ATOM 1183 CB GLU A 78 5.529 7.835 12.974 1.00 0.00 C ATOM 1184 CG GLU A 78 6.816 7.609 13.749 1.00 0.00 C ATOM 1185 CD GLU A 78 7.564 8.899 14.026 1.00 0.00 C ATOM 1186 OE1 GLU A 78 6.911 9.892 14.409 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.802 8.915 13.859 1.00 0.00 O ATOM 0 H GLU A 78 3.726 8.705 11.352 1.00 0.00 H new ATOM 0 HA GLU A 78 6.662 8.783 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.965 8.637 13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.916 6.936 13.034 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.585 7.117 14.694 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.460 6.933 13.187 1.00 0.00 H new ATOM 1194 N ARG A 79 7.178 6.546 10.426 1.00 0.00 N ATOM 1195 CA ARG A 79 7.480 5.349 9.652 1.00 0.00 C ATOM 1196 C ARG A 79 6.844 4.116 10.287 1.00 0.00 C ATOM 1197 O ARG A 79 6.082 3.396 9.641 1.00 0.00 O ATOM 1198 CB ARG A 79 8.993 5.155 9.541 1.00 0.00 C ATOM 1199 CG ARG A 79 9.685 6.222 8.708 1.00 0.00 C ATOM 1200 CD ARG A 79 11.196 6.155 8.860 1.00 0.00 C ATOM 1201 NE ARG A 79 11.859 7.301 8.244 1.00 0.00 N ATOM 1202 CZ ARG A 79 13.090 7.692 8.554 1.00 0.00 C ATOM 1203 NH1 ARG A 79 13.788 7.033 9.469 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.626 8.745 7.949 1.00 0.00 N ATOM 0 H ARG A 79 7.999 7.062 10.743 1.00 0.00 H new ATOM 0 HA ARG A 79 7.063 5.479 8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.425 5.151 10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.194 4.177 9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.418 6.096 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.331 7.208 9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.452 6.114 9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.566 5.235 8.406 1.00 0.00 H new ATOM 0 HE ARG A 79 11.349 7.830 7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.380 6.224 9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.733 7.335 9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.092 9.255 7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.571 9.044 8.188 1.00 0.00 H new ATOM 1218 N SER A 80 7.162 3.879 11.555 1.00 0.00 N ATOM 1219 CA SER A 80 6.625 2.731 12.277 1.00 0.00 C ATOM 1220 C SER A 80 5.146 2.534 11.961 1.00 0.00 C ATOM 1221 O SER A 80 4.735 1.471 11.496 1.00 0.00 O ATOM 1222 CB SER A 80 6.817 2.913 13.783 1.00 0.00 C ATOM 1223 OG SER A 80 6.062 1.961 14.513 1.00 0.00 O ATOM 0 H SER A 80 7.789 4.467 12.104 1.00 0.00 H new ATOM 0 HA SER A 80 7.169 1.843 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.873 2.813 14.033 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.515 3.920 14.072 1.00 0.00 H new ATOM 0 HG SER A 80 6.203 2.098 15.473 1.00 0.00 H new ATOM 1229 N ARG A 81 4.350 3.567 12.217 1.00 0.00 N ATOM 1230 CA ARG A 81 2.916 3.509 11.962 1.00 0.00 C ATOM 1231 C ARG A 81 2.634 2.972 10.561 1.00 0.00 C ATOM 1232 O ARG A 81 1.831 2.057 10.387 1.00 0.00 O ATOM 1233 CB ARG A 81 2.291 4.896 12.123 1.00 0.00 C ATOM 1234 CG ARG A 81 2.381 5.444 13.538 1.00 0.00 C ATOM 1235 CD ARG A 81 1.304 6.484 13.802 1.00 0.00 C ATOM 1236 NE ARG A 81 -0.037 5.907 13.757 1.00 0.00 N ATOM 1237 CZ ARG A 81 -1.089 6.446 14.363 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -0.957 7.569 15.056 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -2.277 5.862 14.276 1.00 0.00 N ATOM 0 H ARG A 81 4.674 4.455 12.601 1.00 0.00 H new ATOM 0 HA ARG A 81 2.470 2.830 12.689 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.785 5.589 11.442 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.243 4.850 11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.282 4.627 14.253 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.364 5.888 13.695 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.471 6.938 14.779 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.381 7.281 13.062 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.173 5.043 13.232 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.046 8.022 15.125 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.767 7.980 15.520 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.383 4.999 13.744 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.084 6.276 14.742 1.00 0.00 H new ATOM 1253 N ALA A 82 3.301 3.549 9.567 1.00 0.00 N ATOM 1254 CA ALA A 82 3.124 3.127 8.183 1.00 0.00 C ATOM 1255 C ALA A 82 3.365 1.629 8.030 1.00 0.00 C ATOM 1256 O ALA A 82 2.513 0.902 7.519 1.00 0.00 O ATOM 1257 CB ALA A 82 4.056 3.910 7.270 1.00 0.00 C ATOM 0 H ALA A 82 3.969 4.310 9.694 1.00 0.00 H new ATOM 0 HA ALA A 82 2.093 3.333 7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.914 3.585 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.833 4.974 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.090 3.733 7.567 1.00 0.00 H new ATOM 1263 N PHE A 83 4.532 1.174 8.474 1.00 0.00 N ATOM 1264 CA PHE A 83 4.886 -0.238 8.385 1.00 0.00 C ATOM 1265 C PHE A 83 3.852 -1.104 9.099 1.00 0.00 C ATOM 1266 O PHE A 83 3.479 -2.171 8.613 1.00 0.00 O ATOM 1267 CB PHE A 83 6.272 -0.477 8.988 1.00 0.00 C ATOM 1268 CG PHE A 83 7.397 -0.038 8.095 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.495 -0.512 6.797 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.358 0.848 8.555 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.530 -0.110 5.974 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.395 1.254 7.737 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.481 0.775 6.444 1.00 0.00 C ATOM 0 H PHE A 83 5.249 1.762 8.899 1.00 0.00 H new ATOM 0 HA PHE A 83 4.903 -0.517 7.331 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.343 0.054 9.937 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.386 -1.539 9.208 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.754 -1.204 6.424 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.296 1.226 9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.595 -0.487 4.964 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.137 1.945 8.108 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.290 1.092 5.802 1.00 0.00 H new ATOM 1283 N ASN A 84 3.394 -0.636 10.255 1.00 0.00 N ATOM 1284 CA ASN A 84 2.404 -1.367 11.037 1.00 0.00 C ATOM 1285 C ASN A 84 1.197 -1.736 10.180 1.00 0.00 C ATOM 1286 O ASN A 84 0.903 -2.914 9.977 1.00 0.00 O ATOM 1287 CB ASN A 84 1.954 -0.533 12.238 1.00 0.00 C ATOM 1288 CG ASN A 84 0.783 -1.158 12.971 1.00 0.00 C ATOM 1289 OD1 ASN A 84 -0.364 -1.053 12.535 1.00 0.00 O ATOM 1290 ND2 ASN A 84 1.067 -1.813 14.090 1.00 0.00 N ATOM 0 H ASN A 84 3.693 0.246 10.671 1.00 0.00 H new ATOM 0 HA ASN A 84 2.868 -2.286 11.395 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.789 -0.415 12.928 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.676 0.465 11.900 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.320 -2.255 14.626 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.032 -1.875 14.414 1.00 0.00 H new ATOM 1297 N PHE A 85 0.502 -0.721 9.678 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.673 -0.937 8.842 1.00 0.00 C ATOM 1299 C PHE A 85 -0.351 -1.878 7.684 1.00 0.00 C ATOM 1300 O PHE A 85 -1.039 -2.877 7.471 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.193 0.396 8.301 1.00 0.00 C ATOM 1302 CG PHE A 85 -2.088 0.249 7.104 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.434 -0.040 7.259 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.583 0.400 5.822 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -4.259 -0.176 6.159 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.403 0.265 4.718 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.744 -0.023 4.887 1.00 0.00 C ATOM 0 H PHE A 85 0.732 0.260 9.836 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.446 -1.397 9.457 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.738 0.912 9.091 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.345 1.027 8.035 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.843 -0.160 8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.536 0.626 5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.306 -0.402 6.294 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.997 0.384 3.725 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.388 -0.128 4.026 1.00 0.00 H new ATOM 1317 N LEU A 86 0.699 -1.551 6.939 1.00 0.00 N ATOM 1318 CA LEU A 86 1.114 -2.366 5.802 1.00 0.00 C ATOM 1319 C LEU A 86 1.218 -3.836 6.194 1.00 0.00 C ATOM 1320 O LEU A 86 0.620 -4.702 5.558 1.00 0.00 O ATOM 1321 CB LEU A 86 2.458 -1.874 5.261 1.00 0.00 C ATOM 1322 CG LEU A 86 2.405 -0.653 4.342 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.808 -0.235 3.929 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.551 -0.945 3.116 1.00 0.00 C ATOM 0 H LEU A 86 1.279 -0.728 7.101 1.00 0.00 H new ATOM 0 HA LEU A 86 0.358 -2.270 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.104 -1.639 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.930 -2.693 4.718 1.00 0.00 H new ATOM 0 HG LEU A 86 1.949 0.171 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.751 0.635 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.389 0.015 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.291 -1.056 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.524 -0.065 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.979 -1.783 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.538 -1.196 3.430 1.00 0.00 H new ATOM 1336 N ASN A 87 1.979 -4.110 7.249 1.00 0.00 N ATOM 1337 CA ASN A 87 2.160 -5.475 7.727 1.00 0.00 C ATOM 1338 C ASN A 87 0.814 -6.163 7.932 1.00 0.00 C ATOM 1339 O ASN A 87 0.620 -7.305 7.518 1.00 0.00 O ATOM 1340 CB ASN A 87 2.951 -5.478 9.037 1.00 0.00 C ATOM 1341 CG ASN A 87 3.493 -6.852 9.382 1.00 0.00 C ATOM 1342 OD1 ASN A 87 3.046 -7.862 8.838 1.00 0.00 O ATOM 1343 ND2 ASN A 87 4.460 -6.896 10.291 1.00 0.00 N ATOM 0 H ASN A 87 2.480 -3.404 7.789 1.00 0.00 H new ATOM 0 HA ASN A 87 2.719 -6.027 6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 87 3.779 -4.773 8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.309 -5.130 9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.863 -7.792 10.564 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.800 -6.033 10.716 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.113 -5.458 8.573 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.441 -6.000 8.833 1.00 0.00 C ATOM 1352 C GLU A 88 -2.080 -6.514 7.546 1.00 0.00 C ATOM 1353 O GLU A 88 -2.317 -7.713 7.394 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.336 -4.935 9.470 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.804 -4.402 10.789 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.908 -3.955 11.727 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -3.653 -4.826 12.223 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -3.028 -2.735 11.964 1.00 0.00 O ATOM 0 H GLU A 88 0.032 -4.510 8.922 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.335 -6.836 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.451 -4.105 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.328 -5.356 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.210 -5.176 11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.136 -3.563 10.594 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.357 -5.598 6.624 1.00 0.00 N ATOM 1366 CA ILE A 89 -2.968 -5.958 5.350 1.00 0.00 C ATOM 1367 C ILE A 89 -2.063 -6.888 4.550 1.00 0.00 C ATOM 1368 O ILE A 89 -2.533 -7.669 3.722 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.280 -4.710 4.503 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.042 -3.818 4.394 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.444 -3.938 5.106 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.240 -2.617 3.496 1.00 0.00 C ATOM 0 H ILE A 89 -2.168 -4.602 6.735 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.901 -6.473 5.581 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.563 -5.031 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.763 -3.475 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.209 -4.411 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.652 -3.059 4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.327 -4.576 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.188 -3.625 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.322 -2.030 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.489 -2.953 2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.051 -2.002 3.885 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.762 -6.801 4.803 1.00 0.00 N ATOM 1385 CA LYS A 90 0.211 -7.637 4.110 1.00 0.00 C ATOM 1386 C LYS A 90 -0.092 -9.117 4.324 1.00 0.00 C ATOM 1387 O LYS A 90 -0.454 -9.829 3.387 1.00 0.00 O ATOM 1388 CB LYS A 90 1.626 -7.320 4.597 1.00 0.00 C ATOM 1389 CG LYS A 90 2.715 -8.024 3.805 1.00 0.00 C ATOM 1390 CD LYS A 90 4.095 -7.506 4.172 1.00 0.00 C ATOM 1391 CE LYS A 90 4.682 -8.269 5.350 1.00 0.00 C ATOM 1392 NZ LYS A 90 4.309 -7.651 6.652 1.00 0.00 N ATOM 0 H LYS A 90 -0.356 -6.159 5.484 1.00 0.00 H new ATOM 0 HA LYS A 90 0.144 -7.421 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.787 -6.243 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.712 -7.602 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.666 -9.097 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.542 -7.878 2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.759 -7.595 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.033 -6.446 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.333 -9.301 5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.768 -8.298 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.002 -7.925 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.301 -6.616 6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.364 -7.980 6.934 1.00 0.00 H new ATOM 1406 N LYS A 91 0.057 -9.573 5.563 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.204 -10.967 5.901 1.00 0.00 C ATOM 1408 C LYS A 91 -1.643 -11.348 5.569 1.00 0.00 C ATOM 1409 O LYS A 91 -1.906 -12.444 5.073 1.00 0.00 O ATOM 1410 CB LYS A 91 0.070 -11.213 7.387 1.00 0.00 C ATOM 1411 CG LYS A 91 -0.619 -10.218 8.304 1.00 0.00 C ATOM 1412 CD LYS A 91 -1.974 -10.729 8.765 1.00 0.00 C ATOM 1413 CE LYS A 91 -1.836 -11.710 9.919 1.00 0.00 C ATOM 1414 NZ LYS A 91 -3.157 -12.057 10.513 1.00 0.00 N ATOM 0 H LYS A 91 0.357 -8.997 6.350 1.00 0.00 H new ATOM 0 HA LYS A 91 0.464 -11.590 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.256 -12.220 7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.145 -11.171 7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.012 -10.024 9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.745 -9.269 7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.596 -9.888 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.484 -11.214 7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.346 -12.618 9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.194 -11.279 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.020 -12.728 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.614 -11.194 10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.761 -12.492 9.786 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.570 -10.437 5.843 1.00 0.00 N ATOM 1429 CA ARG A 92 -3.982 -10.678 5.573 1.00 0.00 C ATOM 1430 C ARG A 92 -4.195 -11.088 4.119 1.00 0.00 C ATOM 1431 O ARG A 92 -4.986 -11.985 3.825 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.804 -9.427 5.886 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.264 -9.347 7.333 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.566 -8.571 7.461 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.175 -8.738 8.778 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.471 -8.567 9.016 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -9.290 -8.227 8.030 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -8.950 -8.737 10.241 1.00 0.00 N ATOM 0 H ARG A 92 -2.369 -9.525 6.252 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.315 -11.493 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.209 -8.544 5.653 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.677 -9.404 5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.398 -10.353 7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.492 -8.867 7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.377 -7.513 7.281 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.264 -8.905 6.694 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.572 -9.000 9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.925 -8.096 7.086 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.284 -8.096 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.323 -8.999 11.002 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.945 -8.605 10.422 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.484 -10.426 3.212 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.596 -10.720 1.788 1.00 0.00 C ATOM 1454 C PHE A 93 -2.890 -12.029 1.447 1.00 0.00 C ATOM 1455 O PHE A 93 -3.371 -12.809 0.625 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.004 -9.577 0.962 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.001 -9.845 -0.516 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.185 -10.092 -1.192 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -1.813 -9.851 -1.230 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.185 -10.339 -2.552 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -1.807 -10.097 -2.590 1.00 0.00 C ATOM 1462 CZ PHE A 93 -2.995 -10.342 -3.252 1.00 0.00 C ATOM 0 H PHE A 93 -2.824 -9.682 3.438 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.653 -10.824 1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.571 -8.667 1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.982 -9.392 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.119 -10.092 -0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.881 -9.661 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.115 -10.529 -3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.875 -10.098 -3.135 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.993 -10.535 -4.315 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.746 -12.261 2.083 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.973 -13.474 1.845 1.00 0.00 C ATOM 1474 C GLN A 94 -1.683 -14.694 2.423 1.00 0.00 C ATOM 1475 O GLN A 94 -1.515 -15.813 1.936 1.00 0.00 O ATOM 1476 CB GLN A 94 0.422 -13.343 2.458 1.00 0.00 C ATOM 1477 CG GLN A 94 1.253 -12.226 1.847 1.00 0.00 C ATOM 1478 CD GLN A 94 2.743 -12.439 2.031 1.00 0.00 C ATOM 1479 OE1 GLN A 94 3.193 -13.551 2.307 1.00 0.00 O ATOM 1480 NE2 GLN A 94 3.517 -11.371 1.879 1.00 0.00 N ATOM 0 H GLN A 94 -1.334 -11.625 2.766 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.878 -13.609 0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.324 -13.167 3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.953 -14.287 2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.029 -12.152 0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.967 -11.276 2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.101 -10.468 1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.527 -11.453 1.991 1.00 0.00 H new ATOM 1489 N THR A 95 -2.477 -14.472 3.466 1.00 0.00 N ATOM 1490 CA THR A 95 -3.212 -15.552 4.111 1.00 0.00 C ATOM 1491 C THR A 95 -4.615 -15.686 3.532 1.00 0.00 C ATOM 1492 O THR A 95 -5.192 -16.774 3.519 1.00 0.00 O ATOM 1493 CB THR A 95 -3.315 -15.331 5.632 1.00 0.00 C ATOM 1494 OG1 THR A 95 -3.364 -16.592 6.308 1.00 0.00 O ATOM 1495 CG2 THR A 95 -4.553 -14.516 5.977 1.00 0.00 C ATOM 0 H THR A 95 -2.627 -13.553 3.882 1.00 0.00 H new ATOM 0 HA THR A 95 -2.655 -16.470 3.921 1.00 0.00 H new ATOM 0 HB THR A 95 -2.433 -14.779 5.958 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.428 -16.443 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.605 -14.372 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.499 -13.545 5.484 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.443 -15.046 5.638 1.00 0.00 H new ATOM 1503 N THR A 96 -5.161 -14.573 3.052 1.00 0.00 N ATOM 1504 CA THR A 96 -6.498 -14.566 2.471 1.00 0.00 C ATOM 1505 C THR A 96 -6.451 -14.874 0.979 1.00 0.00 C ATOM 1506 O THR A 96 -6.957 -15.903 0.532 1.00 0.00 O ATOM 1507 CB THR A 96 -7.195 -13.208 2.682 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.321 -12.935 4.082 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.570 -13.200 2.032 1.00 0.00 C ATOM 0 H THR A 96 -4.698 -13.664 3.054 1.00 0.00 H new ATOM 0 HA THR A 96 -7.068 -15.342 2.981 1.00 0.00 H new ATOM 0 HB THR A 96 -6.586 -12.434 2.215 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.508 -12.492 4.403 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.043 -12.232 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.468 -13.380 0.962 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.186 -13.983 2.474 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.840 -13.977 0.214 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.728 -14.152 -1.229 1.00 0.00 C ATOM 1519 C TYR A 97 -4.266 -14.207 -1.660 1.00 0.00 C ATOM 1520 O TYR A 97 -3.905 -13.733 -2.736 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.444 -13.014 -1.960 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.765 -12.629 -1.333 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.843 -13.506 -1.342 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.936 -11.388 -0.732 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -10.051 -13.158 -0.771 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.141 -11.032 -0.158 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.196 -11.920 -0.180 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.398 -11.570 0.390 1.00 0.00 O ATOM 0 H TYR A 97 -5.414 -13.121 0.569 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.201 -15.098 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.793 -12.140 -1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.615 -13.309 -2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.734 -14.476 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.112 -10.690 -0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.879 -13.852 -0.787 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.256 -10.063 0.306 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.332 -10.666 0.763 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.427 -14.792 -0.810 1.00 0.00 N ATOM 1539 CA GLY A 98 -2.013 -14.900 -1.119 1.00 0.00 C ATOM 1540 C GLY A 98 -1.744 -15.830 -2.286 1.00 0.00 C ATOM 1541 O GLY A 98 -1.272 -15.397 -3.337 1.00 0.00 O ATOM 0 H GLY A 98 -3.701 -15.193 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.618 -13.910 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.479 -15.261 -0.240 1.00 0.00 H new ATOM 1545 N SER A 99 -2.044 -17.111 -2.101 1.00 0.00 N ATOM 1546 CA SER A 99 -1.826 -18.106 -3.145 1.00 0.00 C ATOM 1547 C SER A 99 -2.298 -17.585 -4.498 1.00 0.00 C ATOM 1548 O SER A 99 -1.541 -17.571 -5.469 1.00 0.00 O ATOM 1549 CB SER A 99 -2.559 -19.405 -2.802 1.00 0.00 C ATOM 1550 OG SER A 99 -2.495 -20.325 -3.877 1.00 0.00 O ATOM 0 H SER A 99 -2.439 -17.485 -1.238 1.00 0.00 H new ATOM 0 HA SER A 99 -0.756 -18.306 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.118 -19.851 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.601 -19.187 -2.567 1.00 0.00 H new ATOM 0 HG SER A 99 -2.969 -21.147 -3.633 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.555 -17.156 -4.555 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.130 -16.635 -5.790 1.00 0.00 C ATOM 1558 C ARG A 100 -3.289 -15.485 -6.337 1.00 0.00 C ATOM 1559 O ARG A 100 -3.087 -15.372 -7.546 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.565 -16.163 -5.550 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.591 -17.282 -5.604 1.00 0.00 C ATOM 1562 CD ARG A 100 -7.962 -16.803 -5.154 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.940 -17.888 -5.129 1.00 0.00 N ATOM 1564 CZ ARG A 100 -10.064 -17.848 -4.421 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -10.350 -16.784 -3.684 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -10.904 -18.875 -4.450 1.00 0.00 N ATOM 0 H ARG A 100 -4.195 -17.159 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.138 -17.439 -6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.621 -15.677 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.821 -15.411 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.655 -17.669 -6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.266 -18.106 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.884 -16.362 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.310 -16.017 -5.825 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.750 -18.722 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.707 -15.993 -3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -11.213 -16.756 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.687 -19.695 -5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.767 -18.844 -3.906 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.803 -14.634 -5.439 1.00 0.00 N ATOM 1581 CA ALA A 101 -1.984 -13.495 -5.832 1.00 0.00 C ATOM 1582 C ALA A 101 -0.927 -13.903 -6.852 1.00 0.00 C ATOM 1583 O ALA A 101 -0.501 -13.094 -7.675 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.326 -12.871 -4.609 1.00 0.00 C ATOM 0 H ALA A 101 -2.963 -14.712 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.635 -12.756 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.717 -12.021 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.095 -12.533 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.694 -13.611 -4.118 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.509 -15.164 -6.792 1.00 0.00 N ATOM 1591 CA GLN A 102 0.499 -15.678 -7.711 1.00 0.00 C ATOM 1592 C GLN A 102 -0.150 -16.247 -8.968 1.00 0.00 C ATOM 1593 O GLN A 102 0.465 -16.287 -10.034 1.00 0.00 O ATOM 1594 CB GLN A 102 1.342 -16.755 -7.026 1.00 0.00 C ATOM 1595 CG GLN A 102 2.194 -16.226 -5.883 1.00 0.00 C ATOM 1596 CD GLN A 102 3.210 -15.199 -6.340 1.00 0.00 C ATOM 1597 OE1 GLN A 102 3.094 -13.981 -5.824 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 4.090 -15.496 -7.149 1.00 0.00 N flip ATOM 0 H GLN A 102 -0.853 -15.847 -6.117 1.00 0.00 H new ATOM 0 HA GLN A 102 1.146 -14.850 -8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.681 -17.534 -6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.992 -17.222 -7.766 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.546 -15.780 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.713 -17.058 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.142 -16.445 -7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.766 -14.793 -7.448 1.00 0.00 H new ATOM 1607 N THR A 103 -1.398 -16.688 -8.837 1.00 0.00 N ATOM 1608 CA THR A 103 -2.130 -17.256 -9.961 1.00 0.00 C ATOM 1609 C THR A 103 -3.490 -16.587 -10.126 1.00 0.00 C ATOM 1610 O THR A 103 -4.525 -17.182 -9.829 1.00 0.00 O ATOM 1611 CB THR A 103 -2.334 -18.773 -9.789 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.076 -19.035 -8.593 1.00 0.00 O ATOM 1613 CG2 THR A 103 -0.997 -19.497 -9.732 1.00 0.00 C ATOM 0 H THR A 103 -1.922 -16.662 -7.962 1.00 0.00 H new ATOM 0 HA THR A 103 -1.529 -17.076 -10.853 1.00 0.00 H new ATOM 0 HB THR A 103 -2.892 -19.142 -10.650 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.878 -18.472 -8.575 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.167 -20.567 -9.610 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.448 -19.320 -10.657 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.417 -19.124 -8.888 1.00 0.00 H new ATOM 1621 N ALA A 104 -3.480 -15.347 -10.603 1.00 0.00 N ATOM 1622 CA ALA A 104 -4.713 -14.598 -10.810 1.00 0.00 C ATOM 1623 C ALA A 104 -4.439 -13.271 -11.510 1.00 0.00 C ATOM 1624 O ALA A 104 -3.328 -12.741 -11.474 1.00 0.00 O ATOM 1625 CB ALA A 104 -5.416 -14.361 -9.482 1.00 0.00 C ATOM 0 H ALA A 104 -2.631 -14.840 -10.853 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.364 -15.190 -11.453 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.335 -13.800 -9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.655 -15.319 -9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.762 -13.793 -8.820 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.473 -12.721 -12.163 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.367 -11.449 -12.884 1.00 0.00 C ATOM 1633 C PRO A 105 -5.204 -10.261 -11.942 1.00 0.00 C ATOM 1634 O PRO A 105 -5.352 -10.377 -10.726 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.697 -11.356 -13.636 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.644 -12.182 -12.836 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.825 -13.298 -12.249 1.00 0.00 C ATOM 0 HA PRO A 105 -4.492 -11.420 -13.533 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.038 -10.323 -13.711 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.604 -11.735 -14.654 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.114 -11.588 -12.052 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.446 -12.574 -13.462 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.197 -13.597 -11.269 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.844 -14.186 -12.881 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.891 -9.089 -12.515 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.701 -7.857 -11.744 1.00 0.00 C ATOM 1647 C PRO A 106 -6.008 -7.333 -11.158 1.00 0.00 C ATOM 1648 O PRO A 106 -6.005 -6.586 -10.180 1.00 0.00 O ATOM 1649 CB PRO A 106 -4.147 -6.873 -12.778 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.645 -7.380 -14.088 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.698 -8.877 -13.960 1.00 0.00 C ATOM 0 HA PRO A 106 -4.046 -8.010 -10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.498 -5.859 -12.587 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.058 -6.844 -12.753 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.630 -6.973 -14.315 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.982 -7.081 -14.900 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.517 -9.301 -14.541 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.779 -9.344 -14.315 1.00 0.00 H new ATOM 1659 N TYR A 107 -7.123 -7.729 -11.762 1.00 0.00 N ATOM 1660 CA TYR A 107 -8.437 -7.298 -11.301 1.00 0.00 C ATOM 1661 C TYR A 107 -9.295 -8.495 -10.904 1.00 0.00 C ATOM 1662 O TYR A 107 -10.445 -8.616 -11.325 1.00 0.00 O ATOM 1663 CB TYR A 107 -9.143 -6.489 -12.390 1.00 0.00 C ATOM 1664 CG TYR A 107 -8.877 -5.003 -12.309 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.619 -4.520 -11.969 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -9.883 -4.082 -12.572 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -7.371 -3.163 -11.893 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -9.644 -2.723 -12.500 1.00 0.00 C ATOM 1669 CZ TYR A 107 -8.387 -2.269 -12.160 1.00 0.00 C ATOM 1670 OH TYR A 107 -8.145 -0.916 -12.086 1.00 0.00 O ATOM 0 H TYR A 107 -7.143 -8.348 -12.572 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.297 -6.668 -10.423 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.824 -6.854 -13.366 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.217 -6.662 -12.320 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.821 -5.218 -11.761 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -10.869 -4.434 -12.837 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.388 -2.804 -11.626 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.437 -2.020 -12.709 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.964 -0.425 -12.304 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.726 -9.379 -10.090 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.439 -10.565 -9.633 1.00 0.00 C ATOM 1682 C ALA A 108 -9.967 -10.377 -8.215 1.00 0.00 C ATOM 1683 O ALA A 108 -11.106 -10.732 -7.915 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.531 -11.785 -9.702 1.00 0.00 C ATOM 0 H ALA A 108 -7.774 -9.296 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.293 -10.722 -10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.076 -12.664 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.206 -11.939 -10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.660 -11.626 -9.067 1.00 0.00 H new ATOM 1690 N MET A 109 -9.131 -9.816 -7.347 1.00 0.00 N ATOM 1691 CA MET A 109 -9.515 -9.580 -5.960 1.00 0.00 C ATOM 1692 C MET A 109 -9.382 -8.103 -5.602 1.00 0.00 C ATOM 1693 O MET A 109 -8.892 -7.757 -4.529 1.00 0.00 O ATOM 1694 CB MET A 109 -8.654 -10.425 -5.019 1.00 0.00 C ATOM 1695 CG MET A 109 -7.160 -10.238 -5.231 1.00 0.00 C ATOM 1696 SD MET A 109 -6.549 -11.122 -6.679 1.00 0.00 S ATOM 1697 CE MET A 109 -5.755 -12.529 -5.905 1.00 0.00 C ATOM 0 H MET A 109 -8.184 -9.517 -7.579 1.00 0.00 H new ATOM 0 HA MET A 109 -10.559 -9.870 -5.844 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.901 -10.172 -3.988 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.904 -11.477 -5.158 1.00 0.00 H new ATOM 0 HG2 MET A 109 -6.942 -9.176 -5.340 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.625 -10.584 -4.346 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.135 -13.045 -6.638 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.131 -12.186 -5.079 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.515 -13.213 -5.526 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.821 -7.237 -6.510 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.749 -5.797 -6.290 1.00 0.00 C ATOM 1709 C ASN A 110 -10.940 -5.313 -5.468 1.00 0.00 C ATOM 1710 O ASN A 110 -10.788 -4.500 -4.556 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.704 -5.057 -7.628 1.00 0.00 C ATOM 1712 CG ASN A 110 -11.087 -4.704 -8.140 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -11.757 -5.523 -8.768 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -11.521 -3.477 -7.873 1.00 0.00 N ATOM 0 H ASN A 110 -10.230 -7.507 -7.404 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.836 -5.584 -5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.117 -4.145 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.194 -5.676 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.444 -3.182 -8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.932 -2.830 -7.349 1.00 0.00 H new ATOM 1721 N SER A 111 -12.124 -5.818 -5.797 1.00 0.00 N ATOM 1722 CA SER A 111 -13.341 -5.435 -5.092 1.00 0.00 C ATOM 1723 C SER A 111 -13.277 -5.858 -3.627 1.00 0.00 C ATOM 1724 O SER A 111 -13.281 -5.019 -2.728 1.00 0.00 O ATOM 1725 CB SER A 111 -14.564 -6.063 -5.763 1.00 0.00 C ATOM 1726 OG SER A 111 -14.880 -5.398 -6.974 1.00 0.00 O ATOM 0 H SER A 111 -12.266 -6.494 -6.548 1.00 0.00 H new ATOM 0 HA SER A 111 -13.429 -4.349 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.372 -7.117 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.417 -6.018 -5.086 1.00 0.00 H new ATOM 0 HG SER A 111 -15.664 -5.820 -7.384 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.218 -7.166 -3.398 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.153 -7.701 -2.043 1.00 0.00 C ATOM 1734 C GLU A 112 -12.090 -6.977 -1.222 1.00 0.00 C ATOM 1735 O GLU A 112 -12.373 -6.451 -0.146 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.853 -9.201 -2.077 1.00 0.00 C ATOM 1737 CG GLU A 112 -14.074 -10.060 -2.362 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.740 -9.708 -3.678 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -15.362 -8.628 -3.759 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -14.639 -10.514 -4.627 1.00 0.00 O ATOM 0 H GLU A 112 -13.214 -7.874 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.122 -7.542 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.097 -9.395 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.425 -9.499 -1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.780 -11.109 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.794 -9.942 -1.552 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.866 -6.955 -1.738 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.759 -6.298 -1.053 1.00 0.00 C ATOM 1749 C PHE A 113 -10.050 -4.814 -0.850 1.00 0.00 C ATOM 1750 O PHE A 113 -9.904 -4.287 0.253 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.464 -6.471 -1.849 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.231 -6.494 -0.991 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.042 -7.498 -0.054 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.262 -5.512 -1.120 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -5.909 -7.522 0.737 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.127 -5.532 -0.332 1.00 0.00 C ATOM 1757 CZ PHE A 113 -4.951 -6.537 0.598 1.00 0.00 C ATOM 0 H PHE A 113 -10.615 -7.385 -2.628 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.641 -6.765 -0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.518 -7.399 -2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.379 -5.659 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.789 -8.270 0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.395 -4.722 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.773 -8.310 1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.378 -4.762 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.065 -6.553 1.216 1.00 0.00 H new ATOM 1767 N SER A 114 -10.462 -4.145 -1.923 1.00 0.00 N ATOM 1768 CA SER A 114 -10.769 -2.721 -1.865 1.00 0.00 C ATOM 1769 C SER A 114 -11.529 -2.381 -0.586 1.00 0.00 C ATOM 1770 O SER A 114 -11.179 -1.440 0.126 1.00 0.00 O ATOM 1771 CB SER A 114 -11.590 -2.305 -3.086 1.00 0.00 C ATOM 1772 OG SER A 114 -12.130 -1.005 -2.919 1.00 0.00 O ATOM 0 H SER A 114 -10.591 -4.567 -2.843 1.00 0.00 H new ATOM 0 HA SER A 114 -9.828 -2.171 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.961 -2.329 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.397 -3.020 -3.246 1.00 0.00 H new ATOM 0 HG SER A 114 -12.649 -0.762 -3.714 1.00 0.00 H new ATOM 1778 N SER A 115 -12.572 -3.155 -0.302 1.00 0.00 N ATOM 1779 CA SER A 115 -13.385 -2.935 0.888 1.00 0.00 C ATOM 1780 C SER A 115 -12.579 -3.205 2.155 1.00 0.00 C ATOM 1781 O SER A 115 -12.564 -2.394 3.080 1.00 0.00 O ATOM 1782 CB SER A 115 -14.625 -3.831 0.858 1.00 0.00 C ATOM 1783 OG SER A 115 -15.699 -3.193 0.189 1.00 0.00 O ATOM 0 H SER A 115 -12.874 -3.940 -0.880 1.00 0.00 H new ATOM 0 HA SER A 115 -13.700 -1.891 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.387 -4.770 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.923 -4.079 1.877 1.00 0.00 H new ATOM 0 HG SER A 115 -16.479 -3.787 0.182 1.00 0.00 H new ATOM 1789 N VAL A 116 -11.909 -4.353 2.189 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.099 -4.732 3.340 1.00 0.00 C ATOM 1791 C VAL A 116 -10.128 -3.619 3.719 1.00 0.00 C ATOM 1792 O VAL A 116 -10.075 -3.193 4.874 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.303 -6.022 3.067 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.390 -6.345 4.240 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.248 -7.179 2.780 1.00 0.00 C ATOM 0 H VAL A 116 -11.912 -5.037 1.432 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.787 -4.907 4.167 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.680 -5.865 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.836 -7.260 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.690 -5.524 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.989 -6.484 5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.669 -8.083 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.898 -7.339 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -11.854 -6.945 1.905 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.362 -3.152 2.740 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.392 -2.087 2.970 1.00 0.00 C ATOM 1807 C LEU A 117 -9.068 -0.851 3.556 1.00 0.00 C ATOM 1808 O LEU A 117 -8.618 -0.304 4.562 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.684 -1.724 1.663 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.524 -2.632 1.253 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.089 -2.331 -0.172 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.356 -2.472 2.215 1.00 0.00 C ATOM 0 H LEU A 117 -9.393 -3.494 1.779 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.655 -2.449 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.422 -1.726 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.308 -0.704 1.748 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.864 -3.667 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.263 -2.987 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.925 -2.498 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.767 -1.292 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.540 -3.126 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.015 -1.437 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.675 -2.739 3.222 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.152 -0.419 2.920 1.00 0.00 N ATOM 1825 CA ALA A 118 -10.893 0.749 3.381 1.00 0.00 C ATOM 1826 C ALA A 118 -11.123 0.694 4.887 1.00 0.00 C ATOM 1827 O ALA A 118 -10.872 1.666 5.599 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.220 0.855 2.645 1.00 0.00 C ATOM 0 H ALA A 118 -10.536 -0.860 2.084 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.298 1.636 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.763 1.731 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.036 0.950 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.813 -0.040 2.833 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.603 -0.449 5.367 1.00 0.00 N ATOM 1835 CA ALA A 119 -11.866 -0.630 6.789 1.00 0.00 C ATOM 1836 C ALA A 119 -10.583 -0.506 7.604 1.00 0.00 C ATOM 1837 O ALA A 119 -10.577 0.090 8.680 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.522 -1.980 7.036 1.00 0.00 C ATOM 0 H ALA A 119 -11.818 -1.263 4.791 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.548 0.157 7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.713 -2.102 8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.464 -2.032 6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.860 -2.775 6.693 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.499 -1.074 7.084 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.211 -1.028 7.766 1.00 0.00 C ATOM 1846 C GLN A 120 -7.712 0.408 7.890 1.00 0.00 C ATOM 1847 O GLN A 120 -7.259 0.830 8.954 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.183 -1.875 7.016 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.504 -3.361 7.012 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.459 -3.971 8.399 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.780 -3.462 9.292 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.183 -5.068 8.588 1.00 0.00 N ATOM 0 H GLN A 120 -9.487 -1.571 6.193 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.344 -1.435 8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.117 -1.523 5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.202 -1.725 7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.495 -3.514 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.795 -3.880 6.368 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -8.731 -5.456 7.820 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.191 -5.523 9.501 1.00 0.00 H new ATOM 1861 N LEU A 121 -7.798 1.155 6.794 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.355 2.545 6.779 1.00 0.00 C ATOM 1863 C LEU A 121 -8.193 3.394 7.729 1.00 0.00 C ATOM 1864 O LEU A 121 -7.674 3.978 8.681 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.438 3.112 5.361 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.190 2.939 4.495 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -6.570 2.832 3.026 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.224 4.095 4.714 1.00 0.00 C ATOM 0 H LEU A 121 -8.170 0.821 5.905 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.318 2.574 7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.278 2.640 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.664 4.176 5.429 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.693 2.015 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.669 2.709 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.223 1.971 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.091 3.739 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.342 3.955 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.712 5.032 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.926 4.126 5.762 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.494 3.458 7.465 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.407 4.232 8.298 1.00 0.00 C ATOM 1882 C LYS A 122 -10.116 4.009 9.778 1.00 0.00 C ATOM 1883 O LYS A 122 -10.064 4.958 10.561 1.00 0.00 O ATOM 1884 CB LYS A 122 -11.857 3.853 7.989 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.362 4.405 6.667 1.00 0.00 C ATOM 1886 CD LYS A 122 -13.880 4.439 6.620 1.00 0.00 C ATOM 1887 CE LYS A 122 -14.449 3.140 6.071 1.00 0.00 C ATOM 1888 NZ LYS A 122 -14.517 3.148 4.584 1.00 0.00 N ATOM 0 H LYS A 122 -9.940 2.983 6.680 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.258 5.288 8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -11.945 2.767 7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.498 4.216 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.970 5.411 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -11.985 3.792 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.272 4.615 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.207 5.272 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.831 2.305 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.447 2.980 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -14.830 2.216 4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.192 3.874 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.576 3.360 4.195 1.00 0.00 H new ATOM 1902 N HIS A 123 -9.924 2.749 10.155 1.00 0.00 N ATOM 1903 CA HIS A 123 -9.636 2.401 11.542 1.00 0.00 C ATOM 1904 C HIS A 123 -8.338 3.055 12.008 1.00 0.00 C ATOM 1905 O HIS A 123 -8.312 3.757 13.019 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.541 0.883 11.701 1.00 0.00 C ATOM 1907 CG HIS A 123 -10.873 0.210 11.828 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -11.376 -0.882 11.206 1.00 0.00 N flip ATOM 1909 CD2 HIS A 123 -11.864 0.657 12.676 1.00 0.00 C flip ATOM 1910 CE1 HIS A 123 -12.648 -1.074 11.686 1.00 0.00 C flip ATOM 1911 NE2 HIS A 123 -12.919 -0.133 12.572 1.00 0.00 N flip ATOM 0 H HIS A 123 -9.963 1.952 9.520 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.453 2.773 12.161 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -9.014 0.468 10.842 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -8.942 0.655 12.583 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -11.790 1.518 13.324 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -13.318 -1.866 11.387 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -13.793 -0.033 13.088 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.262 2.819 11.263 1.00 0.00 N ATOM 1921 CA HIS A 124 -5.961 3.385 11.600 1.00 0.00 C ATOM 1922 C HIS A 124 -6.007 4.909 11.571 1.00 0.00 C ATOM 1923 O HIS A 124 -5.798 5.566 12.591 1.00 0.00 O ATOM 1924 CB HIS A 124 -4.894 2.877 10.630 1.00 0.00 C ATOM 1925 CG HIS A 124 -3.495 3.207 11.052 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -2.784 2.449 11.958 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -2.675 4.219 10.684 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -1.587 2.982 12.131 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -1.496 4.057 11.369 1.00 0.00 N ATOM 0 H HIS A 124 -7.266 2.240 10.423 1.00 0.00 H new ATOM 0 HA HIS A 124 -5.705 3.066 12.610 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.990 1.796 10.531 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.078 3.304 9.644 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -3.128 1.608 12.422 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.905 5.007 9.982 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -0.815 2.603 12.784 1.00 0.00 H new ATOM 1938 N SER A 125 -6.282 5.466 10.396 1.00 0.00 N ATOM 1939 CA SER A 125 -6.351 6.914 10.233 1.00 0.00 C ATOM 1940 C SER A 125 -7.434 7.509 11.127 1.00 0.00 C ATOM 1941 O SER A 125 -8.435 6.859 11.427 1.00 0.00 O ATOM 1942 CB SER A 125 -6.627 7.271 8.771 1.00 0.00 C ATOM 1943 OG SER A 125 -6.082 8.538 8.444 1.00 0.00 O ATOM 0 H SER A 125 -6.461 4.937 9.543 1.00 0.00 H new ATOM 0 HA SER A 125 -5.389 7.335 10.527 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.199 6.509 8.120 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.702 7.277 8.591 1.00 0.00 H new ATOM 0 HG SER A 125 -6.270 8.742 7.504 1.00 0.00 H new ATOM 1949 N SER A 126 -7.225 8.752 11.551 1.00 0.00 N ATOM 1950 CA SER A 126 -8.181 9.436 12.414 1.00 0.00 C ATOM 1951 C SER A 126 -8.954 10.497 11.636 1.00 0.00 C ATOM 1952 O SER A 126 -8.457 11.598 11.404 1.00 0.00 O ATOM 1953 CB SER A 126 -7.459 10.081 13.599 1.00 0.00 C ATOM 1954 OG SER A 126 -6.764 9.111 14.362 1.00 0.00 O ATOM 0 H SER A 126 -6.402 9.305 11.311 1.00 0.00 H new ATOM 0 HA SER A 126 -8.890 8.697 12.787 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.758 10.833 13.236 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.181 10.597 14.232 1.00 0.00 H new ATOM 0 HG SER A 126 -6.310 9.549 15.112 1.00 0.00 H new ATOM 1960 N GLY A 127 -10.175 10.155 11.235 1.00 0.00 N ATOM 1961 CA GLY A 127 -10.998 11.087 10.487 1.00 0.00 C ATOM 1962 C GLY A 127 -12.408 10.574 10.273 1.00 0.00 C ATOM 1963 O GLY A 127 -13.384 11.165 10.735 1.00 0.00 O ATOM 0 H GLY A 127 -10.608 9.249 11.415 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.038 12.038 11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -10.535 11.281 9.520 1.00 0.00 H new ATOM 1967 N PRO A 128 -12.529 9.447 9.556 1.00 0.00 N ATOM 1968 CA PRO A 128 -13.826 8.829 9.265 1.00 0.00 C ATOM 1969 C PRO A 128 -14.472 8.225 10.506 1.00 0.00 C ATOM 1970 O PRO A 128 -15.695 8.241 10.652 1.00 0.00 O ATOM 1971 CB PRO A 128 -13.478 7.733 8.255 1.00 0.00 C ATOM 1972 CG PRO A 128 -12.052 7.404 8.530 1.00 0.00 C ATOM 1973 CD PRO A 128 -11.409 8.688 8.975 1.00 0.00 C ATOM 0 HA PRO A 128 -14.549 9.555 8.894 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -14.118 6.860 8.382 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -13.614 8.081 7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -11.970 6.639 9.302 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -11.563 7.011 7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -10.621 8.510 9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -10.954 9.220 8.140 1.00 0.00 H new ATOM 1981 N SER A 129 -13.644 7.692 11.399 1.00 0.00 N ATOM 1982 CA SER A 129 -14.136 7.079 12.627 1.00 0.00 C ATOM 1983 C SER A 129 -15.367 7.814 13.147 1.00 0.00 C ATOM 1984 O SER A 129 -15.320 9.015 13.414 1.00 0.00 O ATOM 1985 CB SER A 129 -13.040 7.077 13.696 1.00 0.00 C ATOM 1986 OG SER A 129 -13.350 6.174 14.743 1.00 0.00 O ATOM 0 H SER A 129 -12.630 7.672 11.295 1.00 0.00 H new ATOM 0 HA SER A 129 -14.417 6.050 12.402 1.00 0.00 H new ATOM 0 HB2 SER A 129 -12.087 6.801 13.244 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.921 8.082 14.101 1.00 0.00 H new ATOM 0 HG SER A 129 -12.634 6.190 15.412 1.00 0.00 H new ATOM 1992 N SER A 130 -16.469 7.084 13.288 1.00 0.00 N ATOM 1993 CA SER A 130 -17.715 7.667 13.771 1.00 0.00 C ATOM 1994 C SER A 130 -17.484 8.451 15.059 1.00 0.00 C ATOM 1995 O SER A 130 -16.665 8.070 15.893 1.00 0.00 O ATOM 1996 CB SER A 130 -18.757 6.572 14.008 1.00 0.00 C ATOM 1997 OG SER A 130 -19.223 6.037 12.781 1.00 0.00 O ATOM 0 H SER A 130 -16.524 6.088 13.075 1.00 0.00 H new ATOM 0 HA SER A 130 -18.086 8.353 13.009 1.00 0.00 H new ATOM 0 HB2 SER A 130 -18.322 5.777 14.613 1.00 0.00 H new ATOM 0 HB3 SER A 130 -19.596 6.980 14.572 1.00 0.00 H new ATOM 0 HG SER A 130 -19.886 5.338 12.960 1.00 0.00 H new ATOM 2003 N GLY A 131 -18.215 9.552 15.213 1.00 0.00 N ATOM 2004 CA GLY A 131 -18.076 10.374 16.401 1.00 0.00 C ATOM 2005 C GLY A 131 -18.284 11.848 16.114 1.00 0.00 C ATOM 2006 O GLY A 131 -19.056 12.211 15.226 1.00 0.00 O ATOM 0 H GLY A 131 -18.900 9.889 14.537 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -18.797 10.048 17.151 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -17.084 10.226 16.827 1.00 0.00 H new TER 2010 GLY A 131