USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 839 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 51 THR OG1 : rot 136:sc= -1.09 USER MOD Set 1.2: A 97 MET CE :methyl -120:sc= -2.97! (180deg=-1.31) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 156:sc= 0 (180deg=0) USER MOD Set 2.2: A 49 GLN : amide:sc= -1.04 K(o=-1,f=-2.8!) USER MOD Single : A 3 HIS : no HD1:sc= -1.73! C(o=-1.7!,f=-3!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 19:sc= 0.964 USER MOD Single : A 19 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.012) USER MOD Single : A 23 SER OG : rot 43:sc= 0.275 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0676 USER MOD Single : A 31 SER OG : rot -11:sc= -0.154 USER MOD Single : A 32 THR OG1 : rot 112:sc= 0.0865 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc=-0.00826 USER MOD Single : A 44 THR OG1 : rot -26:sc= 0.0738 USER MOD Single : A 58 MET CE :methyl -163:sc= -2.81! (180deg=-3.36!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 48:sc= 0.203 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -0.0843 (180deg=-0.508) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0924 K(o=-0.092,f=-2.3!) USER MOD Single : A 78 ASN : amide:sc= -1.33 K(o=-1.3,f=0.21) USER MOD Single : A 83 LYS NZ :NH3+ -132:sc= 0 (180deg=-1.21) USER MOD Single : A 87 HIS : no HD1:sc= -8.45! C(o=-8.5!,f=-7.5!) USER MOD Single : A 88 MET CE :methyl -133:sc= -0.173 (180deg=-3.4!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 92 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.21) USER MOD Single : A 93 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.8!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.647 K(o=0.65,f=-0.0088) USER MOD Single : A 101 LYS NZ :NH3+ -122:sc= 0.0167 (180deg=0) USER MOD Single : A 102 MET CE :methyl -167:sc= -2.22! (180deg=-2.57) USER MOD Single : A 103 THR OG1 : rot 94:sc=0.000796 USER MOD Single : A 105 GLN : amide:sc= -5.1! K(o=-5.1!,f=-2.2) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 80:sc= 1.14 USER MOD Single : A 111 TYR OH : rot 108:sc= -2.95 USER MOD Single : A 112 LYS NZ :NH3+ -158:sc= -0.361 (180deg=-1.63) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.968 -13.462 -6.887 1.00 0.00 N ATOM 29 CA HIS A 3 -2.488 -12.269 -7.578 1.00 0.00 C ATOM 30 C HIS A 3 -3.636 -11.303 -7.860 1.00 0.00 C ATOM 31 O HIS A 3 -3.563 -10.496 -8.787 1.00 0.00 O ATOM 32 CB HIS A 3 -1.799 -12.659 -8.886 1.00 0.00 C ATOM 33 CG HIS A 3 -0.436 -13.243 -8.686 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.005 -14.388 -9.323 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.595 -12.836 -7.908 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.230 -14.661 -8.945 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.618 -13.735 -8.087 1.00 0.00 N ATOM 0 HA HIS A 3 -1.769 -11.767 -6.931 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.422 -13.380 -9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.719 -11.778 -9.523 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.610 -11.967 -7.267 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.823 -15.499 -9.280 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.530 -13.694 -7.631 1.00 0.00 H new ATOM 46 N SER A 4 -4.694 -11.386 -7.055 1.00 0.00 N ATOM 47 CA SER A 4 -5.848 -10.512 -7.226 1.00 0.00 C ATOM 48 C SER A 4 -6.661 -10.411 -5.941 1.00 0.00 C ATOM 49 O SER A 4 -6.613 -11.294 -5.085 1.00 0.00 O ATOM 50 CB SER A 4 -6.735 -11.002 -8.372 1.00 0.00 C ATOM 51 OG SER A 4 -6.803 -12.418 -8.395 1.00 0.00 O ATOM 0 H SER A 4 -4.774 -12.047 -6.282 1.00 0.00 H new ATOM 0 HA SER A 4 -5.474 -9.518 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.738 -10.588 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.342 -10.638 -9.321 1.00 0.00 H new ATOM 0 HG SER A 4 -7.377 -12.706 -9.135 1.00 0.00 H new ATOM 57 N GLY A 5 -7.402 -9.316 -5.819 1.00 0.00 N ATOM 58 CA GLY A 5 -8.219 -9.082 -4.646 1.00 0.00 C ATOM 59 C GLY A 5 -8.819 -7.696 -4.675 1.00 0.00 C ATOM 60 O GLY A 5 -8.157 -6.749 -5.083 1.00 0.00 O ATOM 0 H GLY A 5 -7.450 -8.578 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.014 -9.826 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.615 -9.202 -3.747 1.00 0.00 H new ATOM 64 N ALA A 6 -10.075 -7.573 -4.276 1.00 0.00 N ATOM 65 CA ALA A 6 -10.745 -6.280 -4.301 1.00 0.00 C ATOM 66 C ALA A 6 -10.451 -5.446 -3.057 1.00 0.00 C ATOM 67 O ALA A 6 -10.332 -5.972 -1.951 1.00 0.00 O ATOM 68 CB ALA A 6 -12.235 -6.475 -4.498 1.00 0.00 C ATOM 0 H ALA A 6 -10.648 -8.344 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.348 -5.715 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.730 -5.504 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.413 -6.990 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.635 -7.071 -3.678 1.00 0.00 H new ATOM 74 N ALA A 7 -10.325 -4.135 -3.264 1.00 0.00 N ATOM 75 CA ALA A 7 -10.031 -3.199 -2.182 1.00 0.00 C ATOM 76 C ALA A 7 -10.586 -1.808 -2.492 1.00 0.00 C ATOM 77 O ALA A 7 -11.055 -1.554 -3.600 1.00 0.00 O ATOM 78 CB ALA A 7 -8.531 -3.129 -1.949 1.00 0.00 C ATOM 0 H ALA A 7 -10.423 -3.696 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.516 -3.560 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.321 -2.429 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.158 -4.117 -1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.037 -2.791 -2.860 1.00 0.00 H new ATOM 84 N ILE A 8 -10.541 -0.915 -1.503 1.00 0.00 N ATOM 85 CA ILE A 8 -11.050 0.446 -1.678 1.00 0.00 C ATOM 86 C ILE A 8 -9.919 1.450 -1.881 1.00 0.00 C ATOM 87 O ILE A 8 -9.006 1.544 -1.062 1.00 0.00 O ATOM 88 CB ILE A 8 -11.880 0.913 -0.456 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.059 -0.032 -0.153 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.385 2.337 -0.669 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.290 -1.125 -1.178 1.00 0.00 C ATOM 0 H ILE A 8 -10.159 -1.108 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.683 0.412 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.217 0.891 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.891 -0.497 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.968 0.563 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.966 2.650 0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.536 3.008 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.014 2.371 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.141 -1.735 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.495 -0.675 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.401 -1.751 -1.249 1.00 0.00 H new ATOM 103 N PHE A 9 -10.002 2.223 -2.960 1.00 0.00 N ATOM 104 CA PHE A 9 -8.999 3.243 -3.241 1.00 0.00 C ATOM 105 C PHE A 9 -9.648 4.607 -3.461 1.00 0.00 C ATOM 106 O PHE A 9 -10.306 4.838 -4.475 1.00 0.00 O ATOM 107 CB PHE A 9 -8.159 2.874 -4.463 1.00 0.00 C ATOM 108 CG PHE A 9 -6.968 3.774 -4.651 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.136 5.109 -4.986 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.683 3.287 -4.489 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.042 5.939 -5.156 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.586 4.111 -4.658 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.766 5.438 -4.992 1.00 0.00 C ATOM 0 H PHE A 9 -10.750 2.163 -3.651 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.346 3.298 -2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.817 1.844 -4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.785 2.918 -5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.132 5.506 -5.116 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.535 2.250 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.186 6.977 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.589 3.717 -4.529 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.910 6.083 -5.125 1.00 0.00 H new ATOM 123 N GLU A 10 -9.441 5.505 -2.504 1.00 0.00 N ATOM 124 CA GLU A 10 -9.980 6.864 -2.572 1.00 0.00 C ATOM 125 C GLU A 10 -11.501 6.877 -2.461 1.00 0.00 C ATOM 126 O GLU A 10 -12.189 7.498 -3.272 1.00 0.00 O ATOM 127 CB GLU A 10 -9.542 7.552 -3.869 1.00 0.00 C ATOM 128 CG GLU A 10 -8.160 8.178 -3.789 1.00 0.00 C ATOM 129 CD GLU A 10 -8.200 9.625 -3.339 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.226 9.865 -2.113 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.207 10.518 -4.212 1.00 0.00 O ATOM 0 H GLU A 10 -8.898 5.316 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.579 7.415 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.555 6.823 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.267 8.325 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.544 7.603 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.681 8.119 -4.766 1.00 0.00 H new ATOM 138 N LYS A 11 -12.022 6.197 -1.444 1.00 0.00 N ATOM 139 CA LYS A 11 -13.463 6.136 -1.210 1.00 0.00 C ATOM 140 C LYS A 11 -14.190 5.321 -2.283 1.00 0.00 C ATOM 141 O LYS A 11 -15.400 5.114 -2.193 1.00 0.00 O ATOM 142 CB LYS A 11 -14.053 7.549 -1.139 1.00 0.00 C ATOM 143 CG LYS A 11 -14.456 7.968 0.265 1.00 0.00 C ATOM 144 CD LYS A 11 -15.056 9.364 0.279 1.00 0.00 C ATOM 145 CE LYS A 11 -14.696 10.113 1.553 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.811 10.983 2.019 1.00 0.00 N ATOM 0 H LYS A 11 -11.465 5.678 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.611 5.631 -0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.322 8.259 -1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.925 7.603 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.178 7.256 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.584 7.939 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.699 9.923 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.140 9.296 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.442 9.398 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.809 10.722 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.526 11.476 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.037 11.682 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.650 10.399 2.211 1.00 0.00 H new ATOM 160 N VAL A 12 -13.459 4.851 -3.292 1.00 0.00 N ATOM 161 CA VAL A 12 -14.059 4.061 -4.352 1.00 0.00 C ATOM 162 C VAL A 12 -13.778 2.589 -4.142 1.00 0.00 C ATOM 163 O VAL A 12 -12.738 2.211 -3.604 1.00 0.00 O ATOM 164 CB VAL A 12 -13.550 4.493 -5.742 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.817 3.419 -6.794 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.211 5.793 -6.135 1.00 0.00 C ATOM 0 H VAL A 12 -12.456 5.005 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.135 4.233 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.471 4.634 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.445 3.757 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.307 2.498 -6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.889 3.234 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.853 6.101 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.292 5.656 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.966 6.562 -5.402 1.00 0.00 H new ATOM 176 N SER A 13 -14.711 1.765 -4.574 1.00 0.00 N ATOM 177 CA SER A 13 -14.562 0.328 -4.433 1.00 0.00 C ATOM 178 C SER A 13 -14.365 -0.335 -5.786 1.00 0.00 C ATOM 179 O SER A 13 -15.258 -0.330 -6.633 1.00 0.00 O ATOM 180 CB SER A 13 -15.771 -0.276 -3.726 1.00 0.00 C ATOM 181 OG SER A 13 -16.918 -0.249 -4.557 1.00 0.00 O ATOM 0 H SER A 13 -15.577 2.062 -5.024 1.00 0.00 H new ATOM 0 HA SER A 13 -13.675 0.145 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.551 -1.304 -3.439 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.971 0.276 -2.807 1.00 0.00 H new ATOM 0 HG SER A 13 -16.643 -0.140 -5.491 1.00 0.00 H new ATOM 187 N GLY A 14 -13.186 -0.908 -5.976 1.00 0.00 N ATOM 188 CA GLY A 14 -12.879 -1.576 -7.221 1.00 0.00 C ATOM 189 C GLY A 14 -12.229 -2.921 -6.995 1.00 0.00 C ATOM 190 O GLY A 14 -12.683 -3.705 -6.161 1.00 0.00 O ATOM 0 H GLY A 14 -12.434 -0.921 -5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.795 -1.708 -7.797 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.216 -0.948 -7.816 1.00 0.00 H new ATOM 194 N ILE A 15 -11.161 -3.187 -7.732 1.00 0.00 N ATOM 195 CA ILE A 15 -10.443 -4.442 -7.608 1.00 0.00 C ATOM 196 C ILE A 15 -8.944 -4.221 -7.598 1.00 0.00 C ATOM 197 O ILE A 15 -8.413 -3.492 -8.430 1.00 0.00 O ATOM 198 CB ILE A 15 -10.753 -5.407 -8.769 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.259 -5.465 -9.050 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.196 -6.796 -8.463 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.098 -5.816 -7.843 1.00 0.00 C ATOM 0 H ILE A 15 -10.773 -2.546 -8.424 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.775 -4.877 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.266 -5.032 -9.669 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.583 -4.499 -9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.444 -6.200 -9.834 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.421 -7.469 -9.290 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.116 -6.734 -8.330 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.653 -7.178 -7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.151 -5.836 -8.125 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.804 -6.796 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.946 -5.069 -7.064 1.00 0.00 H new ATOM 213 N ILE A 16 -8.262 -4.914 -6.703 1.00 0.00 N ATOM 214 CA ILE A 16 -6.817 -4.847 -6.646 1.00 0.00 C ATOM 215 C ILE A 16 -6.309 -6.092 -7.330 1.00 0.00 C ATOM 216 O ILE A 16 -6.905 -7.162 -7.196 1.00 0.00 O ATOM 217 CB ILE A 16 -6.262 -4.780 -5.196 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.798 -3.362 -4.860 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.108 -5.760 -5.005 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.150 -3.248 -3.496 1.00 0.00 C ATOM 0 H ILE A 16 -8.687 -5.528 -6.008 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.481 -3.931 -7.133 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.070 -5.058 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.090 -3.030 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.653 -2.688 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.739 -5.692 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.456 -6.775 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.303 -5.514 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.845 -2.216 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.863 -3.549 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.275 -3.897 -3.453 1.00 0.00 H new ATOM 232 N ALA A 17 -5.239 -5.970 -8.079 1.00 0.00 N ATOM 233 CA ALA A 17 -4.726 -7.123 -8.782 1.00 0.00 C ATOM 234 C ALA A 17 -3.227 -7.025 -8.993 1.00 0.00 C ATOM 235 O ALA A 17 -2.725 -6.103 -9.635 1.00 0.00 O ATOM 236 CB ALA A 17 -5.487 -7.306 -10.084 1.00 0.00 C ATOM 0 H ALA A 17 -4.716 -5.105 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.884 -8.012 -8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.099 -8.176 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.545 -7.454 -9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.364 -6.419 -10.705 1.00 0.00 H new ATOM 242 N ILE A 18 -2.526 -7.987 -8.413 1.00 0.00 N ATOM 243 CA ILE A 18 -1.078 -8.044 -8.481 1.00 0.00 C ATOM 244 C ILE A 18 -0.598 -8.742 -9.748 1.00 0.00 C ATOM 245 O ILE A 18 -1.197 -9.716 -10.202 1.00 0.00 O ATOM 246 CB ILE A 18 -0.508 -8.768 -7.246 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.925 -8.034 -5.967 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.005 -8.875 -7.336 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.445 -8.954 -4.887 1.00 0.00 C ATOM 0 H ILE A 18 -2.947 -8.749 -7.882 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.716 -7.016 -8.501 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.915 -9.779 -7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.070 -7.480 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.695 -7.302 -6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.386 -9.389 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.278 -9.436 -8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.438 -7.876 -7.389 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.721 -8.367 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.320 -9.490 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.669 -9.670 -4.614 1.00 0.00 H new ATOM 261 N ASN A 19 0.495 -8.236 -10.305 1.00 0.00 N ATOM 262 CA ASN A 19 1.076 -8.802 -11.513 1.00 0.00 C ATOM 263 C ASN A 19 2.517 -9.230 -11.260 1.00 0.00 C ATOM 264 O ASN A 19 3.441 -8.432 -11.381 1.00 0.00 O ATOM 265 CB ASN A 19 1.025 -7.786 -12.656 1.00 0.00 C ATOM 266 CG ASN A 19 0.746 -8.438 -13.997 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.363 -8.348 -14.524 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.752 -9.100 -14.554 1.00 0.00 N ATOM 0 H ASN A 19 0.999 -7.430 -9.936 1.00 0.00 H new ATOM 0 HA ASN A 19 0.494 -9.679 -11.796 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.252 -7.046 -12.447 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.973 -7.251 -12.705 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.623 -9.560 -15.455 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.654 -9.149 -14.081 1.00 0.00 H new ATOM 275 N GLU A 20 2.696 -10.494 -10.899 1.00 0.00 N ATOM 276 CA GLU A 20 4.024 -11.031 -10.622 1.00 0.00 C ATOM 277 C GLU A 20 4.756 -11.410 -11.910 1.00 0.00 C ATOM 278 O GLU A 20 5.884 -11.897 -11.869 1.00 0.00 O ATOM 279 CB GLU A 20 3.918 -12.250 -9.705 1.00 0.00 C ATOM 280 CG GLU A 20 4.921 -12.241 -8.564 1.00 0.00 C ATOM 281 CD GLU A 20 6.352 -12.388 -9.045 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.936 -11.379 -9.489 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.886 -13.516 -8.976 1.00 0.00 O ATOM 0 H GLU A 20 1.938 -11.168 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 20 4.601 -10.251 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.910 -12.297 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.062 -13.154 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.823 -11.310 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.688 -13.052 -7.874 1.00 0.00 H new ATOM 290 N ASP A 21 4.112 -11.183 -13.052 1.00 0.00 N ATOM 291 CA ASP A 21 4.711 -11.501 -14.342 1.00 0.00 C ATOM 292 C ASP A 21 5.664 -10.394 -14.795 1.00 0.00 C ATOM 293 O ASP A 21 6.260 -10.481 -15.869 1.00 0.00 O ATOM 294 CB ASP A 21 3.622 -11.706 -15.394 1.00 0.00 C ATOM 295 CG ASP A 21 4.105 -12.522 -16.576 1.00 0.00 C ATOM 296 OD1 ASP A 21 4.337 -13.738 -16.404 1.00 0.00 O ATOM 297 OD2 ASP A 21 4.253 -11.946 -17.675 1.00 0.00 O ATOM 0 H ASP A 21 3.177 -10.780 -13.109 1.00 0.00 H new ATOM 0 HA ASP A 21 5.282 -12.423 -14.228 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.768 -12.205 -14.936 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.273 -10.735 -15.745 1.00 0.00 H new ATOM 302 N VAL A 22 5.805 -9.356 -13.974 1.00 0.00 N ATOM 303 CA VAL A 22 6.687 -8.242 -14.301 1.00 0.00 C ATOM 304 C VAL A 22 8.002 -8.347 -13.533 1.00 0.00 C ATOM 305 O VAL A 22 8.351 -9.412 -13.023 1.00 0.00 O ATOM 306 CB VAL A 22 6.040 -6.865 -14.018 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.895 -6.062 -15.302 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.704 -7.029 -13.346 1.00 0.00 C ATOM 0 H VAL A 22 5.321 -9.264 -13.081 1.00 0.00 H new ATOM 0 HA VAL A 22 6.877 -8.309 -15.372 1.00 0.00 H new ATOM 0 HB VAL A 22 6.698 -6.317 -13.343 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.438 -5.098 -15.079 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.878 -5.904 -15.745 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.265 -6.608 -16.004 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.269 -6.048 -13.157 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.040 -7.602 -13.992 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.834 -7.556 -12.401 1.00 0.00 H new ATOM 318 N SER A 23 8.721 -7.237 -13.452 1.00 0.00 N ATOM 319 CA SER A 23 9.992 -7.193 -12.744 1.00 0.00 C ATOM 320 C SER A 23 10.537 -5.767 -12.714 1.00 0.00 C ATOM 321 O SER A 23 11.100 -5.293 -13.702 1.00 0.00 O ATOM 322 CB SER A 23 11.003 -8.128 -13.407 1.00 0.00 C ATOM 323 OG SER A 23 11.050 -7.920 -14.808 1.00 0.00 O ATOM 0 H SER A 23 8.443 -6.349 -13.871 1.00 0.00 H new ATOM 0 HA SER A 23 9.827 -7.525 -11.719 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.991 -7.962 -12.979 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.735 -9.164 -13.199 1.00 0.00 H new ATOM 0 HG SER A 23 11.035 -6.958 -14.997 1.00 0.00 H new ATOM 329 N PRO A 24 10.376 -5.055 -11.582 1.00 0.00 N ATOM 330 CA PRO A 24 9.713 -5.579 -10.381 1.00 0.00 C ATOM 331 C PRO A 24 8.211 -5.757 -10.574 1.00 0.00 C ATOM 332 O PRO A 24 7.631 -5.241 -11.530 1.00 0.00 O ATOM 333 CB PRO A 24 9.982 -4.513 -9.310 1.00 0.00 C ATOM 334 CG PRO A 24 10.990 -3.581 -9.900 1.00 0.00 C ATOM 335 CD PRO A 24 10.839 -3.678 -11.389 1.00 0.00 C ATOM 0 HA PRO A 24 10.092 -6.567 -10.120 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.066 -3.983 -9.049 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.360 -4.967 -8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.821 -2.560 -9.559 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.999 -3.856 -9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.120 -2.953 -11.770 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.782 -3.493 -11.904 1.00 0.00 H new ATOM 343 N ALA A 25 7.585 -6.487 -9.653 1.00 0.00 N ATOM 344 CA ALA A 25 6.148 -6.729 -9.717 1.00 0.00 C ATOM 345 C ALA A 25 5.368 -5.427 -9.669 1.00 0.00 C ATOM 346 O ALA A 25 5.943 -4.349 -9.514 1.00 0.00 O ATOM 347 CB ALA A 25 5.699 -7.623 -8.574 1.00 0.00 C ATOM 0 H ALA A 25 8.051 -6.920 -8.855 1.00 0.00 H new ATOM 0 HA ALA A 25 5.946 -7.227 -10.665 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.624 -7.789 -8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.219 -8.579 -8.634 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.932 -7.143 -7.624 1.00 0.00 H new ATOM 353 N GLU A 26 4.052 -5.538 -9.784 1.00 0.00 N ATOM 354 CA GLU A 26 3.190 -4.370 -9.736 1.00 0.00 C ATOM 355 C GLU A 26 1.740 -4.767 -9.490 1.00 0.00 C ATOM 356 O GLU A 26 1.241 -5.727 -10.076 1.00 0.00 O ATOM 357 CB GLU A 26 3.302 -3.567 -11.034 1.00 0.00 C ATOM 358 CG GLU A 26 2.741 -4.288 -12.249 1.00 0.00 C ATOM 359 CD GLU A 26 3.322 -3.773 -13.552 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.562 -3.656 -13.643 1.00 0.00 O ATOM 361 OE2 GLU A 26 2.538 -3.488 -14.480 1.00 0.00 O ATOM 0 H GLU A 26 3.561 -6.423 -9.911 1.00 0.00 H new ATOM 0 HA GLU A 26 3.519 -3.746 -8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.778 -2.619 -10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.350 -3.330 -11.215 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.946 -5.355 -12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.657 -4.172 -12.268 1.00 0.00 H new ATOM 368 N LEU A 27 1.061 -4.009 -8.635 1.00 0.00 N ATOM 369 CA LEU A 27 -0.339 -4.272 -8.336 1.00 0.00 C ATOM 370 C LEU A 27 -1.195 -3.191 -8.990 1.00 0.00 C ATOM 371 O LEU A 27 -0.743 -2.061 -9.162 1.00 0.00 O ATOM 372 CB LEU A 27 -0.571 -4.344 -6.812 1.00 0.00 C ATOM 373 CG LEU A 27 -0.872 -3.020 -6.098 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.196 -2.418 -6.545 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.886 -3.236 -4.600 1.00 0.00 C ATOM 0 H LEU A 27 1.457 -3.211 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.627 -5.241 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.400 -5.027 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.314 -4.784 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.084 -2.316 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.368 -1.482 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.165 -2.226 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.005 -3.114 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.100 -2.292 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.655 -3.965 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.087 -3.606 -4.277 1.00 0.00 H new ATOM 387 N THR A 28 -2.416 -3.534 -9.386 1.00 0.00 N ATOM 388 CA THR A 28 -3.284 -2.569 -10.054 1.00 0.00 C ATOM 389 C THR A 28 -4.703 -2.569 -9.497 1.00 0.00 C ATOM 390 O THR A 28 -5.454 -3.527 -9.682 1.00 0.00 O ATOM 391 CB THR A 28 -3.326 -2.865 -11.553 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.076 -3.358 -12.000 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.669 -1.654 -12.394 1.00 0.00 C ATOM 0 H THR A 28 -2.824 -4.460 -9.259 1.00 0.00 H new ATOM 0 HA THR A 28 -2.863 -1.580 -9.872 1.00 0.00 H new ATOM 0 HB THR A 28 -4.113 -3.608 -11.679 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.122 -3.543 -12.961 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.682 -1.934 -13.447 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.651 -1.278 -12.107 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.922 -0.877 -12.234 1.00 0.00 H new ATOM 401 N TRP A 29 -5.076 -1.471 -8.845 1.00 0.00 N ATOM 402 CA TRP A 29 -6.407 -1.325 -8.299 1.00 0.00 C ATOM 403 C TRP A 29 -7.306 -0.644 -9.320 1.00 0.00 C ATOM 404 O TRP A 29 -7.139 0.537 -9.607 1.00 0.00 O ATOM 405 CB TRP A 29 -6.372 -0.485 -7.025 1.00 0.00 C ATOM 406 CG TRP A 29 -7.739 -0.170 -6.509 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.459 -0.921 -5.643 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.556 0.960 -6.844 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.679 -0.332 -5.401 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.760 0.826 -6.129 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.385 2.072 -7.675 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.788 1.761 -6.220 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.407 2.999 -7.765 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.595 2.839 -7.041 1.00 0.00 C ATOM 0 H TRP A 29 -4.466 -0.669 -8.685 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.796 -2.315 -8.063 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.811 -1.018 -6.257 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.838 0.445 -7.221 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.124 -1.849 -5.205 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.403 -0.697 -4.782 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.472 2.204 -8.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.705 1.640 -5.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.287 3.861 -8.404 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.374 3.581 -7.132 1.00 0.00 H new ATOM 425 N ARG A 30 -8.256 -1.387 -9.866 1.00 0.00 N ATOM 426 CA ARG A 30 -9.175 -0.833 -10.855 1.00 0.00 C ATOM 427 C ARG A 30 -10.588 -0.754 -10.294 1.00 0.00 C ATOM 428 O ARG A 30 -11.081 -1.708 -9.701 1.00 0.00 O ATOM 429 CB ARG A 30 -9.163 -1.681 -12.129 1.00 0.00 C ATOM 430 CG ARG A 30 -9.378 -3.162 -11.871 1.00 0.00 C ATOM 431 CD ARG A 30 -9.263 -3.972 -13.153 1.00 0.00 C ATOM 432 NE ARG A 30 -7.939 -4.570 -13.306 1.00 0.00 N ATOM 433 CZ ARG A 30 -7.472 -5.051 -14.455 1.00 0.00 C ATOM 434 NH1 ARG A 30 -8.216 -5.007 -15.553 1.00 0.00 N ATOM 435 NH2 ARG A 30 -6.256 -5.578 -14.508 1.00 0.00 N ATOM 0 H ARG A 30 -8.413 -2.370 -9.644 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.843 0.176 -11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.940 -1.321 -12.803 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.210 -1.543 -12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.644 -3.517 -11.148 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.362 -3.316 -11.428 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.018 -4.758 -13.154 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.471 -3.329 -14.008 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.338 -4.622 -12.484 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.152 -4.603 -15.519 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.852 -5.378 -16.431 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.679 -5.614 -13.668 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.898 -5.947 -15.389 1.00 0.00 H new ATOM 449 N SER A 31 -11.240 0.388 -10.487 1.00 0.00 N ATOM 450 CA SER A 31 -12.602 0.578 -9.992 1.00 0.00 C ATOM 451 C SER A 31 -13.491 -0.591 -10.405 1.00 0.00 C ATOM 452 O SER A 31 -13.164 -1.333 -11.330 1.00 0.00 O ATOM 453 CB SER A 31 -13.180 1.888 -10.528 1.00 0.00 C ATOM 454 OG SER A 31 -12.614 3.007 -9.866 1.00 0.00 O ATOM 0 H SER A 31 -10.852 1.192 -10.979 1.00 0.00 H new ATOM 0 HA SER A 31 -12.569 0.623 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.990 1.961 -11.599 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.262 1.892 -10.395 1.00 0.00 H new ATOM 0 HG SER A 31 -12.101 2.702 -9.089 1.00 0.00 H new ATOM 460 N THR A 32 -14.617 -0.751 -9.718 1.00 0.00 N ATOM 461 CA THR A 32 -15.543 -1.829 -10.024 1.00 0.00 C ATOM 462 C THR A 32 -16.291 -1.511 -11.304 1.00 0.00 C ATOM 463 O THR A 32 -16.559 -2.388 -12.125 1.00 0.00 O ATOM 464 CB THR A 32 -16.526 -2.033 -8.869 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.852 -2.489 -7.710 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.619 -3.029 -9.183 1.00 0.00 C ATOM 0 H THR A 32 -14.908 -0.148 -8.948 1.00 0.00 H new ATOM 0 HA THR A 32 -14.980 -2.752 -10.161 1.00 0.00 H new ATOM 0 HB THR A 32 -16.981 -1.057 -8.703 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.878 -1.793 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.281 -3.126 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.191 -2.682 -10.043 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.174 -3.998 -9.410 1.00 0.00 H new ATOM 474 N ASP A 33 -16.615 -0.240 -11.460 1.00 0.00 N ATOM 475 CA ASP A 33 -17.325 0.232 -12.636 1.00 0.00 C ATOM 476 C ASP A 33 -16.360 0.500 -13.788 1.00 0.00 C ATOM 477 O ASP A 33 -16.771 0.600 -14.944 1.00 0.00 O ATOM 478 CB ASP A 33 -18.115 1.500 -12.308 1.00 0.00 C ATOM 479 CG ASP A 33 -19.524 1.196 -11.835 1.00 0.00 C ATOM 480 OD1 ASP A 33 -19.671 0.439 -10.853 1.00 0.00 O ATOM 481 OD2 ASP A 33 -20.480 1.718 -12.447 1.00 0.00 O ATOM 0 H ASP A 33 -16.396 0.489 -10.781 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.020 -0.549 -12.946 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.589 2.063 -11.537 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.160 2.136 -13.192 1.00 0.00 H new ATOM 486 N GLY A 34 -15.073 0.619 -13.467 1.00 0.00 N ATOM 487 CA GLY A 34 -14.074 0.876 -14.486 1.00 0.00 C ATOM 488 C GLY A 34 -13.887 2.357 -14.750 1.00 0.00 C ATOM 489 O GLY A 34 -13.619 2.764 -15.880 1.00 0.00 O ATOM 0 H GLY A 34 -14.707 0.542 -12.518 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.123 0.442 -14.177 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.366 0.379 -15.411 1.00 0.00 H new ATOM 493 N ASP A 35 -14.033 3.165 -13.704 1.00 0.00 N ATOM 494 CA ASP A 35 -13.883 4.610 -13.828 1.00 0.00 C ATOM 495 C ASP A 35 -12.419 5.023 -13.740 1.00 0.00 C ATOM 496 O ASP A 35 -12.019 6.045 -14.299 1.00 0.00 O ATOM 497 CB ASP A 35 -14.694 5.322 -12.743 1.00 0.00 C ATOM 498 CG ASP A 35 -16.112 5.623 -13.185 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.306 6.600 -13.939 1.00 0.00 O ATOM 500 OD2 ASP A 35 -17.030 4.880 -12.776 1.00 0.00 O ATOM 0 H ASP A 35 -14.255 2.843 -12.762 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.260 4.903 -14.808 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.720 4.702 -11.847 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.195 6.253 -12.473 1.00 0.00 H new ATOM 505 N LYS A 36 -11.626 4.228 -13.036 1.00 0.00 N ATOM 506 CA LYS A 36 -10.206 4.518 -12.877 1.00 0.00 C ATOM 507 C LYS A 36 -9.479 3.368 -12.201 1.00 0.00 C ATOM 508 O LYS A 36 -10.093 2.500 -11.581 1.00 0.00 O ATOM 509 CB LYS A 36 -10.017 5.809 -12.076 1.00 0.00 C ATOM 510 CG LYS A 36 -10.396 5.680 -10.607 1.00 0.00 C ATOM 511 CD LYS A 36 -11.606 6.534 -10.262 1.00 0.00 C ATOM 512 CE LYS A 36 -11.195 7.928 -9.819 1.00 0.00 C ATOM 513 NZ LYS A 36 -12.134 8.970 -10.322 1.00 0.00 N ATOM 0 H LYS A 36 -11.940 3.379 -12.566 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.776 4.648 -13.870 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.975 6.121 -12.147 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.617 6.598 -12.529 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.609 4.636 -10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.551 5.977 -9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.262 6.605 -11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.178 6.053 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.159 7.967 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.189 8.142 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.819 9.907 -9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.150 8.950 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.090 8.781 -9.958 1.00 0.00 H new ATOM 527 N VAL A 37 -8.165 3.365 -12.355 1.00 0.00 N ATOM 528 CA VAL A 37 -7.328 2.323 -11.797 1.00 0.00 C ATOM 529 C VAL A 37 -5.976 2.883 -11.355 1.00 0.00 C ATOM 530 O VAL A 37 -5.396 3.735 -12.029 1.00 0.00 O ATOM 531 CB VAL A 37 -7.117 1.209 -12.841 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.945 1.814 -14.229 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.935 0.313 -12.477 1.00 0.00 C ATOM 0 H VAL A 37 -7.653 4.083 -12.868 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.830 1.912 -10.921 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.005 0.577 -12.847 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.797 1.017 -14.958 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.837 2.384 -14.491 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.078 2.475 -14.233 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.817 -0.460 -13.236 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.026 0.913 -12.426 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.117 -0.154 -11.509 1.00 0.00 H new ATOM 543 N HIS A 38 -5.481 2.396 -10.223 1.00 0.00 N ATOM 544 CA HIS A 38 -4.198 2.843 -9.694 1.00 0.00 C ATOM 545 C HIS A 38 -3.185 1.703 -9.703 1.00 0.00 C ATOM 546 O HIS A 38 -3.406 0.659 -9.088 1.00 0.00 O ATOM 547 CB HIS A 38 -4.368 3.379 -8.272 1.00 0.00 C ATOM 548 CG HIS A 38 -5.062 4.705 -8.211 1.00 0.00 C ATOM 549 ND1 HIS A 38 -4.407 5.907 -8.381 1.00 0.00 N ATOM 550 CD2 HIS A 38 -6.363 5.015 -7.999 1.00 0.00 C ATOM 551 CE1 HIS A 38 -5.274 6.898 -8.275 1.00 0.00 C ATOM 552 NE2 HIS A 38 -6.468 6.384 -8.044 1.00 0.00 N ATOM 0 H HIS A 38 -5.949 1.691 -9.654 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.826 3.644 -10.333 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.933 2.655 -7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.386 3.470 -7.807 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.168 4.316 -7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.045 7.950 -8.362 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.329 6.917 -7.919 1.00 0.00 H new ATOM 561 N THR A 39 -2.075 1.908 -10.403 1.00 0.00 N ATOM 562 CA THR A 39 -1.031 0.893 -10.492 1.00 0.00 C ATOM 563 C THR A 39 0.070 1.156 -9.470 1.00 0.00 C ATOM 564 O THR A 39 0.445 2.303 -9.226 1.00 0.00 O ATOM 565 CB THR A 39 -0.440 0.858 -11.902 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.310 1.483 -12.829 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.171 -0.545 -12.401 1.00 0.00 C ATOM 0 H THR A 39 -1.875 2.766 -10.916 1.00 0.00 H new ATOM 0 HA THR A 39 -1.481 -0.075 -10.273 1.00 0.00 H new ATOM 0 HB THR A 39 0.508 1.391 -11.830 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.912 1.451 -13.724 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.247 -0.500 -13.406 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.537 -1.038 -11.735 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.104 -1.109 -12.421 1.00 0.00 H new ATOM 575 N VAL A 40 0.581 0.085 -8.871 1.00 0.00 N ATOM 576 CA VAL A 40 1.632 0.196 -7.871 1.00 0.00 C ATOM 577 C VAL A 40 2.812 -0.707 -8.205 1.00 0.00 C ATOM 578 O VAL A 40 2.631 -1.848 -8.628 1.00 0.00 O ATOM 579 CB VAL A 40 1.098 -0.163 -6.461 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.902 -1.289 -5.815 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.098 1.055 -5.563 1.00 0.00 C ATOM 0 H VAL A 40 0.282 -0.871 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 40 1.968 1.233 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 40 0.074 -0.515 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.493 -1.508 -4.828 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.844 -2.181 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.943 -0.982 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.720 0.781 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.114 1.437 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.460 1.826 -5.995 1.00 0.00 H new ATOM 591 N VAL A 41 4.014 -0.202 -7.973 1.00 0.00 N ATOM 592 CA VAL A 41 5.222 -0.974 -8.207 1.00 0.00 C ATOM 593 C VAL A 41 5.779 -1.450 -6.872 1.00 0.00 C ATOM 594 O VAL A 41 6.487 -0.711 -6.190 1.00 0.00 O ATOM 595 CB VAL A 41 6.295 -0.153 -8.948 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.501 -1.021 -9.278 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.715 0.468 -10.209 1.00 0.00 C ATOM 0 H VAL A 41 4.178 0.742 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 41 4.961 -1.824 -8.837 1.00 0.00 H new ATOM 0 HB VAL A 41 6.626 0.653 -8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.247 -0.423 -9.801 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.931 -1.412 -8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.190 -1.850 -9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.487 1.044 -10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.354 -0.320 -10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.888 1.126 -9.943 1.00 0.00 H new ATOM 607 N LEU A 42 5.438 -2.683 -6.496 1.00 0.00 N ATOM 608 CA LEU A 42 5.881 -3.262 -5.229 1.00 0.00 C ATOM 609 C LEU A 42 7.354 -2.949 -4.939 1.00 0.00 C ATOM 610 O LEU A 42 7.776 -2.944 -3.782 1.00 0.00 O ATOM 611 CB LEU A 42 5.656 -4.778 -5.237 1.00 0.00 C ATOM 612 CG LEU A 42 4.201 -5.250 -5.089 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.794 -5.323 -3.631 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.234 -4.353 -5.831 1.00 0.00 C ATOM 0 H LEU A 42 4.852 -3.303 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 42 5.287 -2.810 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.052 -5.178 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.242 -5.215 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 42 4.155 -6.247 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.760 -5.660 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.442 -6.026 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.887 -4.336 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.218 -4.725 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.304 -3.339 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.483 -4.348 -6.892 1.00 0.00 H new ATOM 626 N SER A 43 8.127 -2.674 -5.987 1.00 0.00 N ATOM 627 CA SER A 43 9.539 -2.346 -5.832 1.00 0.00 C ATOM 628 C SER A 43 9.682 -0.918 -5.331 1.00 0.00 C ATOM 629 O SER A 43 10.398 -0.656 -4.365 1.00 0.00 O ATOM 630 CB SER A 43 10.286 -2.523 -7.155 1.00 0.00 C ATOM 631 OG SER A 43 11.310 -1.553 -7.308 1.00 0.00 O ATOM 0 H SER A 43 7.798 -2.672 -6.952 1.00 0.00 H new ATOM 0 HA SER A 43 9.978 -3.027 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.720 -3.522 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.583 -2.445 -7.984 1.00 0.00 H new ATOM 0 HG SER A 43 12.039 -1.929 -7.844 1.00 0.00 H new ATOM 637 N THR A 44 8.970 0.000 -5.978 1.00 0.00 N ATOM 638 CA THR A 44 8.995 1.386 -5.578 1.00 0.00 C ATOM 639 C THR A 44 8.397 1.508 -4.186 1.00 0.00 C ATOM 640 O THR A 44 8.755 2.400 -3.417 1.00 0.00 O ATOM 641 CB THR A 44 8.205 2.225 -6.575 1.00 0.00 C ATOM 642 OG1 THR A 44 6.824 1.922 -6.505 1.00 0.00 O ATOM 643 CG2 THR A 44 8.650 2.028 -8.008 1.00 0.00 C ATOM 0 H THR A 44 8.372 -0.200 -6.780 1.00 0.00 H new ATOM 0 HA THR A 44 10.022 1.751 -5.561 1.00 0.00 H new ATOM 0 HB THR A 44 8.394 3.261 -6.293 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.706 1.008 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.047 2.654 -8.666 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.700 2.306 -8.105 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.524 0.982 -8.287 1.00 0.00 H new ATOM 651 N ILE A 45 7.497 0.579 -3.860 1.00 0.00 N ATOM 652 CA ILE A 45 6.867 0.561 -2.551 1.00 0.00 C ATOM 653 C ILE A 45 7.922 0.481 -1.448 1.00 0.00 C ATOM 654 O ILE A 45 8.554 -0.559 -1.259 1.00 0.00 O ATOM 655 CB ILE A 45 5.909 -0.638 -2.410 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.812 -0.578 -3.474 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.306 -0.678 -1.013 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.918 0.637 -3.364 1.00 0.00 C ATOM 0 H ILE A 45 7.193 -0.166 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 45 6.299 1.486 -2.452 1.00 0.00 H new ATOM 0 HB ILE A 45 6.479 -1.555 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.275 -0.588 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.199 -1.476 -3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.632 -1.531 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.103 -0.773 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.750 0.242 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.166 0.608 -4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.425 0.639 -2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.518 1.541 -3.468 1.00 0.00 H new ATOM 670 N ASP A 46 8.109 1.577 -0.718 1.00 0.00 N ATOM 671 CA ASP A 46 9.087 1.618 0.365 1.00 0.00 C ATOM 672 C ASP A 46 8.882 0.449 1.326 1.00 0.00 C ATOM 673 O ASP A 46 9.840 -0.083 1.887 1.00 0.00 O ATOM 674 CB ASP A 46 8.988 2.943 1.123 1.00 0.00 C ATOM 675 CG ASP A 46 10.026 3.061 2.222 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.963 2.270 3.185 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.901 3.945 2.118 1.00 0.00 O ATOM 0 H ASP A 46 7.597 2.448 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 46 10.082 1.535 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.110 3.769 0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.992 3.037 1.556 1.00 0.00 H new ATOM 682 N LYS A 47 7.626 0.054 1.504 1.00 0.00 N ATOM 683 CA LYS A 47 7.288 -1.054 2.388 1.00 0.00 C ATOM 684 C LYS A 47 5.817 -1.432 2.241 1.00 0.00 C ATOM 685 O LYS A 47 5.026 -0.678 1.675 1.00 0.00 O ATOM 686 CB LYS A 47 7.601 -0.697 3.844 1.00 0.00 C ATOM 687 CG LYS A 47 6.710 0.392 4.416 1.00 0.00 C ATOM 688 CD LYS A 47 6.985 0.618 5.894 1.00 0.00 C ATOM 689 CE LYS A 47 5.713 0.955 6.654 1.00 0.00 C ATOM 690 NZ LYS A 47 5.817 0.602 8.097 1.00 0.00 N ATOM 0 H LYS A 47 6.824 0.486 1.046 1.00 0.00 H new ATOM 0 HA LYS A 47 7.896 -1.913 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.502 -1.593 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.640 -0.376 3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.872 1.321 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.664 0.118 4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.439 -0.276 6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.705 1.428 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.503 2.020 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.873 0.422 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.151 1.183 8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.586 -0.404 8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.786 0.780 8.429 1.00 0.00 H new ATOM 704 N LEU A 48 5.457 -2.604 2.750 1.00 0.00 N ATOM 705 CA LEU A 48 4.082 -3.085 2.666 1.00 0.00 C ATOM 706 C LEU A 48 3.409 -3.050 4.037 1.00 0.00 C ATOM 707 O LEU A 48 3.889 -3.668 4.988 1.00 0.00 O ATOM 708 CB LEU A 48 4.060 -4.512 2.119 1.00 0.00 C ATOM 709 CG LEU A 48 2.673 -5.148 2.033 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.925 -4.620 0.821 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.783 -6.664 1.978 1.00 0.00 C ATOM 0 H LEU A 48 6.098 -3.240 3.225 1.00 0.00 H new ATOM 0 HA LEU A 48 3.532 -2.429 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.505 -4.511 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.692 -5.137 2.750 1.00 0.00 H new ATOM 0 HG LEU A 48 2.112 -4.880 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.939 -5.082 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.816 -3.539 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.483 -4.860 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.786 -7.099 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.360 -6.955 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.282 -7.025 2.877 1.00 0.00 H new ATOM 723 N GLN A 49 2.293 -2.331 4.133 1.00 0.00 N ATOM 724 CA GLN A 49 1.556 -2.227 5.386 1.00 0.00 C ATOM 725 C GLN A 49 0.178 -2.862 5.248 1.00 0.00 C ATOM 726 O GLN A 49 -0.461 -2.743 4.210 1.00 0.00 O ATOM 727 CB GLN A 49 1.409 -0.761 5.795 1.00 0.00 C ATOM 728 CG GLN A 49 1.598 -0.522 7.284 1.00 0.00 C ATOM 729 CD GLN A 49 1.995 0.907 7.598 1.00 0.00 C ATOM 730 OE1 GLN A 49 1.755 1.819 6.806 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.606 1.110 8.759 1.00 0.00 N ATOM 0 H GLN A 49 1.881 -1.813 3.357 1.00 0.00 H new ATOM 0 HA GLN A 49 2.115 -2.758 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.137 -0.164 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.420 -0.408 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.672 -0.762 7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.363 -1.200 7.663 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.785 0.325 9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.896 2.051 9.025 1.00 0.00 H new ATOM 740 N ALA A 50 -0.271 -3.542 6.293 1.00 0.00 N ATOM 741 CA ALA A 50 -1.570 -4.193 6.268 1.00 0.00 C ATOM 742 C ALA A 50 -2.104 -4.408 7.683 1.00 0.00 C ATOM 743 O ALA A 50 -1.346 -4.738 8.595 1.00 0.00 O ATOM 744 CB ALA A 50 -1.455 -5.511 5.530 1.00 0.00 C ATOM 0 H ALA A 50 0.244 -3.656 7.166 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.279 -3.550 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.428 -6.002 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.119 -5.328 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.736 -6.152 6.040 1.00 0.00 H new ATOM 750 N THR A 51 -3.412 -4.219 7.863 1.00 0.00 N ATOM 751 CA THR A 51 -4.030 -4.396 9.175 1.00 0.00 C ATOM 752 C THR A 51 -3.681 -5.762 9.768 1.00 0.00 C ATOM 753 O THR A 51 -3.595 -6.756 9.047 1.00 0.00 O ATOM 754 CB THR A 51 -5.548 -4.247 9.072 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.078 -5.137 8.104 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.988 -2.848 8.699 1.00 0.00 C ATOM 0 H THR A 51 -4.058 -3.946 7.123 1.00 0.00 H new ATOM 0 HA THR A 51 -3.638 -3.623 9.837 1.00 0.00 H new ATOM 0 HB THR A 51 -5.927 -4.477 10.068 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.886 -5.563 8.459 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.076 -2.812 8.643 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.640 -2.144 9.454 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.566 -2.580 7.731 1.00 0.00 H new ATOM 847 N MET A 58 -9.909 -4.500 8.109 1.00 0.00 N ATOM 848 CA MET A 58 -9.326 -5.124 6.927 1.00 0.00 C ATOM 849 C MET A 58 -8.838 -4.067 5.939 1.00 0.00 C ATOM 850 O MET A 58 -9.627 -3.502 5.182 1.00 0.00 O ATOM 851 CB MET A 58 -10.350 -6.037 6.250 1.00 0.00 C ATOM 852 CG MET A 58 -10.650 -7.302 7.039 1.00 0.00 C ATOM 853 SD MET A 58 -12.297 -7.290 7.777 1.00 0.00 S ATOM 854 CE MET A 58 -12.444 -8.994 8.306 1.00 0.00 C ATOM 0 HA MET A 58 -8.471 -5.721 7.245 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.277 -5.483 6.101 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.982 -6.313 5.262 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.558 -8.166 6.381 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.905 -7.420 7.826 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.491 -9.225 8.501 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.066 -9.652 7.523 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.864 -9.144 9.217 1.00 0.00 H new ATOM 864 N MET A 59 -7.535 -3.798 5.955 1.00 0.00 N ATOM 865 CA MET A 59 -6.953 -2.801 5.066 1.00 0.00 C ATOM 866 C MET A 59 -5.509 -3.134 4.701 1.00 0.00 C ATOM 867 O MET A 59 -4.717 -3.534 5.554 1.00 0.00 O ATOM 868 CB MET A 59 -6.999 -1.427 5.727 1.00 0.00 C ATOM 869 CG MET A 59 -8.407 -0.882 5.905 1.00 0.00 C ATOM 870 SD MET A 59 -9.123 -1.317 7.501 1.00 0.00 S ATOM 871 CE MET A 59 -8.742 0.151 8.451 1.00 0.00 C ATOM 0 H MET A 59 -6.865 -4.256 6.573 1.00 0.00 H new ATOM 0 HA MET A 59 -7.542 -2.799 4.149 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.516 -1.486 6.702 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.420 -0.725 5.127 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.388 0.203 5.803 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.044 -1.266 5.108 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.122 0.036 9.466 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.662 0.294 8.482 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.210 1.018 7.984 1.00 0.00 H new ATOM 881 N LEU A 60 -5.170 -2.932 3.432 1.00 0.00 N ATOM 882 CA LEU A 60 -3.814 -3.171 2.949 1.00 0.00 C ATOM 883 C LEU A 60 -3.235 -1.877 2.388 1.00 0.00 C ATOM 884 O LEU A 60 -3.945 -1.101 1.748 1.00 0.00 O ATOM 885 CB LEU A 60 -3.793 -4.259 1.869 1.00 0.00 C ATOM 886 CG LEU A 60 -4.217 -5.667 2.312 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.767 -6.687 1.284 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.641 -6.034 3.670 1.00 0.00 C ATOM 0 H LEU A 60 -5.818 -2.602 2.717 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.208 -3.514 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.446 -3.945 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.783 -4.318 1.463 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.304 -5.670 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.071 -7.684 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.225 -6.460 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.682 -6.652 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.966 -7.038 3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.552 -6.006 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.991 -5.322 4.418 1.00 0.00 H new ATOM 900 N ARG A 61 -1.954 -1.631 2.642 1.00 0.00 N ATOM 901 CA ARG A 61 -1.314 -0.410 2.168 1.00 0.00 C ATOM 902 C ARG A 61 0.131 -0.647 1.742 1.00 0.00 C ATOM 903 O ARG A 61 0.810 -1.526 2.267 1.00 0.00 O ATOM 904 CB ARG A 61 -1.343 0.652 3.267 1.00 0.00 C ATOM 905 CG ARG A 61 -0.973 2.044 2.783 1.00 0.00 C ATOM 906 CD ARG A 61 -0.577 2.948 3.940 1.00 0.00 C ATOM 907 NE ARG A 61 -1.582 2.954 4.999 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.655 3.887 5.946 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.786 4.890 5.969 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.602 3.818 6.872 1.00 0.00 N ATOM 0 H ARG A 61 -1.343 -2.255 3.169 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.872 -0.070 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.341 0.683 3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.656 0.359 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.148 1.977 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.817 2.482 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.378 2.617 4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.431 3.964 3.573 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.268 2.199 5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.057 4.949 5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.848 5.601 6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.274 3.051 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.659 4.532 7.598 1.00 0.00 H new ATOM 924 N LEU A 62 0.595 0.170 0.802 1.00 0.00 N ATOM 925 CA LEU A 62 1.967 0.088 0.315 1.00 0.00 C ATOM 926 C LEU A 62 2.623 1.463 0.374 1.00 0.00 C ATOM 927 O LEU A 62 2.177 2.399 -0.288 1.00 0.00 O ATOM 928 CB LEU A 62 2.006 -0.449 -1.117 1.00 0.00 C ATOM 929 CG LEU A 62 1.407 -1.843 -1.302 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.149 -1.761 -2.138 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.415 -2.795 -1.938 1.00 0.00 C ATOM 0 H LEU A 62 0.037 0.901 0.360 1.00 0.00 H new ATOM 0 HA LEU A 62 2.518 -0.601 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.473 0.247 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.043 -0.468 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 62 1.151 -2.239 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.270 -2.759 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.579 -1.122 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.388 -1.342 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.961 -3.779 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.712 -2.411 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.293 -2.876 -1.298 1.00 0.00 H new ATOM 943 N ILE A 63 3.678 1.587 1.169 1.00 0.00 N ATOM 944 CA ILE A 63 4.377 2.860 1.303 1.00 0.00 C ATOM 945 C ILE A 63 5.259 3.123 0.090 1.00 0.00 C ATOM 946 O ILE A 63 5.657 2.193 -0.604 1.00 0.00 O ATOM 947 CB ILE A 63 5.253 2.900 2.572 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.504 2.303 3.766 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.688 4.328 2.871 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.204 3.009 4.081 1.00 0.00 C ATOM 0 H ILE A 63 4.067 0.827 1.728 1.00 0.00 H new ATOM 0 HA ILE A 63 3.612 3.633 1.378 1.00 0.00 H new ATOM 0 HB ILE A 63 6.144 2.297 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.297 1.252 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.149 2.339 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.305 4.340 3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.263 4.717 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.808 4.951 3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.729 2.531 4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.405 4.055 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.540 2.950 3.219 1.00 0.00 H new ATOM 962 N GLY A 64 5.560 4.392 -0.161 1.00 0.00 N ATOM 963 CA GLY A 64 6.395 4.744 -1.296 1.00 0.00 C ATOM 964 C GLY A 64 7.693 5.405 -0.879 1.00 0.00 C ATOM 965 O GLY A 64 7.932 5.623 0.308 1.00 0.00 O ATOM 0 H GLY A 64 5.242 5.183 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.617 3.846 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.844 5.416 -1.954 1.00 0.00 H new ATOM 991 N VAL A 66 10.009 8.674 -0.861 1.00 0.00 N ATOM 992 CA VAL A 66 9.985 10.124 -1.016 1.00 0.00 C ATOM 993 C VAL A 66 11.316 10.632 -1.568 1.00 0.00 C ATOM 994 O VAL A 66 12.331 9.938 -1.494 1.00 0.00 O ATOM 995 CB VAL A 66 9.676 10.826 0.322 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.818 10.650 1.310 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.372 12.300 0.099 1.00 0.00 C ATOM 0 HA VAL A 66 9.191 10.363 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 66 8.790 10.357 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.572 11.155 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.973 9.588 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.729 11.080 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.157 12.776 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.234 12.784 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.507 12.398 -0.557 1.00 0.00 H new ATOM 1007 N ASP A 67 11.308 11.839 -2.126 1.00 0.00 N ATOM 1008 CA ASP A 67 12.520 12.422 -2.693 1.00 0.00 C ATOM 1009 C ASP A 67 12.714 13.862 -2.232 1.00 0.00 C ATOM 1010 O ASP A 67 13.176 14.710 -2.995 1.00 0.00 O ATOM 1011 CB ASP A 67 12.462 12.373 -4.220 1.00 0.00 C ATOM 1012 CG ASP A 67 13.838 12.444 -4.855 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.672 11.561 -4.563 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.080 13.383 -5.642 1.00 0.00 O ATOM 0 H ASP A 67 10.480 12.430 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 67 13.368 11.835 -2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.968 11.453 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.854 13.201 -4.584 1.00 0.00 H new ATOM 1019 N GLU A 68 12.361 14.129 -0.979 1.00 0.00 N ATOM 1020 CA GLU A 68 12.495 15.468 -0.405 1.00 0.00 C ATOM 1021 C GLU A 68 12.032 16.543 -1.388 1.00 0.00 C ATOM 1022 O GLU A 68 12.531 17.668 -1.371 1.00 0.00 O ATOM 1023 CB GLU A 68 13.948 15.726 0.000 1.00 0.00 C ATOM 1024 CG GLU A 68 14.277 15.263 1.409 1.00 0.00 C ATOM 1025 CD GLU A 68 15.735 15.479 1.768 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.354 16.405 1.202 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.257 14.724 2.615 1.00 0.00 O ATOM 0 H GLU A 68 11.978 13.435 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 68 11.859 15.518 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.608 15.219 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.155 16.793 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.648 15.799 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.036 14.204 1.505 1.00 0.00 H new ATOM 1034 N SER A 69 11.078 16.187 -2.244 1.00 0.00 N ATOM 1035 CA SER A 69 10.553 17.121 -3.233 1.00 0.00 C ATOM 1036 C SER A 69 9.304 17.819 -2.714 1.00 0.00 C ATOM 1037 O SER A 69 9.002 18.947 -3.104 1.00 0.00 O ATOM 1038 CB SER A 69 10.241 16.391 -4.541 1.00 0.00 C ATOM 1039 OG SER A 69 11.431 16.034 -5.222 1.00 0.00 O ATOM 0 H SER A 69 10.654 15.260 -2.272 1.00 0.00 H new ATOM 0 HA SER A 69 11.315 17.877 -3.422 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.656 15.496 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.630 17.028 -5.180 1.00 0.00 H new ATOM 0 HG SER A 69 12.051 15.606 -4.595 1.00 0.00 H new ATOM 1045 N LYS A 70 8.584 17.140 -1.833 1.00 0.00 N ATOM 1046 CA LYS A 70 7.364 17.693 -1.253 1.00 0.00 C ATOM 1047 C LYS A 70 7.650 19.025 -0.562 1.00 0.00 C ATOM 1048 O LYS A 70 7.398 20.091 -1.124 1.00 0.00 O ATOM 1049 CB LYS A 70 6.753 16.704 -0.257 1.00 0.00 C ATOM 1050 CG LYS A 70 6.084 15.510 -0.918 1.00 0.00 C ATOM 1051 CD LYS A 70 4.584 15.717 -1.053 1.00 0.00 C ATOM 1052 CE LYS A 70 3.946 14.626 -1.897 1.00 0.00 C ATOM 1053 NZ LYS A 70 4.496 14.599 -3.281 1.00 0.00 N ATOM 0 H LYS A 70 8.822 16.205 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 70 6.651 17.868 -2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.535 16.347 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.020 17.226 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.520 15.347 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.277 14.612 -0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.126 15.728 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.389 16.689 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.110 13.658 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.868 14.783 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.832 14.102 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.630 15.573 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.410 14.104 -3.282 1.00 0.00 H new ATOM 1067 N LYS A 71 8.182 18.957 0.655 1.00 0.00 N ATOM 1068 CA LYS A 71 8.507 20.156 1.418 1.00 0.00 C ATOM 1069 C LYS A 71 7.289 21.062 1.567 1.00 0.00 C ATOM 1070 O LYS A 71 7.053 21.943 0.741 1.00 0.00 O ATOM 1071 CB LYS A 71 9.645 20.922 0.740 1.00 0.00 C ATOM 1072 CG LYS A 71 10.955 20.151 0.697 1.00 0.00 C ATOM 1073 CD LYS A 71 12.151 21.076 0.848 1.00 0.00 C ATOM 1074 CE LYS A 71 12.415 21.410 2.308 1.00 0.00 C ATOM 1075 NZ LYS A 71 13.834 21.796 2.542 1.00 0.00 N ATOM 0 H LYS A 71 8.397 18.082 1.134 1.00 0.00 H new ATOM 0 HA LYS A 71 8.825 19.844 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.347 21.173 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.804 21.863 1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.967 19.407 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.029 19.610 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.034 20.605 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.975 21.995 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.761 22.225 2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.166 20.549 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.972 22.016 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.457 21.009 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.065 22.633 1.970 1.00 0.00 H new ATOM 1089 N ARG A 72 6.524 20.845 2.632 1.00 0.00 N ATOM 1090 CA ARG A 72 5.335 21.647 2.894 1.00 0.00 C ATOM 1091 C ARG A 72 5.489 22.425 4.198 1.00 0.00 C ATOM 1092 O ARG A 72 5.692 21.840 5.262 1.00 0.00 O ATOM 1093 CB ARG A 72 4.087 20.755 2.937 1.00 0.00 C ATOM 1094 CG ARG A 72 3.869 20.052 4.268 1.00 0.00 C ATOM 1095 CD ARG A 72 3.115 20.941 5.245 1.00 0.00 C ATOM 1096 NE ARG A 72 1.724 20.523 5.404 1.00 0.00 N ATOM 1097 CZ ARG A 72 0.864 21.112 6.232 1.00 0.00 C ATOM 1098 NH1 ARG A 72 1.247 22.141 6.976 1.00 0.00 N ATOM 1099 NH2 ARG A 72 -0.383 20.669 6.316 1.00 0.00 N ATOM 0 H ARG A 72 6.706 20.121 3.327 1.00 0.00 H new ATOM 0 HA ARG A 72 5.216 22.365 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.211 21.364 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.163 20.004 2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.311 19.129 4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.832 19.772 4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.613 20.919 6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.146 21.973 4.894 1.00 0.00 H new ATOM 0 HE ARG A 72 1.393 19.734 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.205 22.485 6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.583 22.588 7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.683 19.878 5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.043 21.120 6.950 1.00 0.00 H new ATOM 1113 N LYS A 73 5.399 23.747 4.105 1.00 0.00 N ATOM 1114 CA LYS A 73 5.535 24.605 5.275 1.00 0.00 C ATOM 1115 C LYS A 73 4.287 24.542 6.149 1.00 0.00 C ATOM 1116 O LYS A 73 3.181 24.315 5.656 1.00 0.00 O ATOM 1117 CB LYS A 73 5.797 26.050 4.844 1.00 0.00 C ATOM 1118 CG LYS A 73 6.817 26.175 3.724 1.00 0.00 C ATOM 1119 CD LYS A 73 7.879 27.216 4.047 1.00 0.00 C ATOM 1120 CE LYS A 73 8.294 27.992 2.809 1.00 0.00 C ATOM 1121 NZ LYS A 73 8.537 29.430 3.109 1.00 0.00 N ATOM 0 H LYS A 73 5.233 24.247 3.232 1.00 0.00 H new ATOM 0 HA LYS A 73 6.382 24.246 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.858 26.500 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.144 26.620 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.293 25.209 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.310 26.447 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.496 27.906 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.751 26.725 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.199 27.551 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.517 27.906 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.818 29.924 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.667 29.858 3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.296 29.514 3.815 1.00 0.00 H new ATOM 1135 N ASP A 74 4.474 24.744 7.448 1.00 0.00 N ATOM 1136 CA ASP A 74 3.364 24.712 8.395 1.00 0.00 C ATOM 1137 C ASP A 74 2.871 26.123 8.701 1.00 0.00 C ATOM 1138 O ASP A 74 3.213 27.075 8.001 1.00 0.00 O ATOM 1139 CB ASP A 74 3.792 24.013 9.688 1.00 0.00 C ATOM 1140 CG ASP A 74 2.706 23.112 10.244 1.00 0.00 C ATOM 1141 OD1 ASP A 74 2.088 22.369 9.453 1.00 0.00 O ATOM 1142 OD2 ASP A 74 2.475 23.151 11.471 1.00 0.00 O ATOM 0 H ASP A 74 5.383 24.932 7.870 1.00 0.00 H new ATOM 0 HA ASP A 74 2.545 24.152 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.689 23.423 9.499 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.055 24.763 10.434 1.00 0.00 H new ATOM 1147 N ASN A 75 2.066 26.248 9.750 1.00 0.00 N ATOM 1148 CA ASN A 75 1.525 27.543 10.149 1.00 0.00 C ATOM 1149 C ASN A 75 2.630 28.485 10.623 1.00 0.00 C ATOM 1150 O ASN A 75 2.419 29.694 10.731 1.00 0.00 O ATOM 1151 CB ASN A 75 0.485 27.363 11.257 1.00 0.00 C ATOM 1152 CG ASN A 75 -0.587 28.434 11.222 1.00 0.00 C ATOM 1153 OD1 ASN A 75 -0.733 29.152 10.232 1.00 0.00 O ATOM 1154 ND2 ASN A 75 -1.346 28.547 12.307 1.00 0.00 N ATOM 0 H ASN A 75 1.773 25.469 10.340 1.00 0.00 H new ATOM 0 HA ASN A 75 1.049 27.989 9.276 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.019 26.383 11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.983 27.383 12.226 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.084 29.250 12.342 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.190 27.931 13.105 1.00 0.00 H new ATOM 1161 N GLU A 76 3.807 27.931 10.907 1.00 0.00 N ATOM 1162 CA GLU A 76 4.935 28.732 11.370 1.00 0.00 C ATOM 1163 C GLU A 76 6.062 28.755 10.340 1.00 0.00 C ATOM 1164 O GLU A 76 7.186 29.151 10.650 1.00 0.00 O ATOM 1165 CB GLU A 76 5.458 28.187 12.699 1.00 0.00 C ATOM 1166 CG GLU A 76 6.090 29.248 13.585 1.00 0.00 C ATOM 1167 CD GLU A 76 7.593 29.336 13.408 1.00 0.00 C ATOM 1168 OE1 GLU A 76 8.308 28.477 13.966 1.00 0.00 O ATOM 1169 OE2 GLU A 76 8.055 30.263 12.711 1.00 0.00 O ATOM 0 H GLU A 76 4.003 26.933 10.825 1.00 0.00 H new ATOM 0 HA GLU A 76 4.583 29.754 11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.635 27.718 13.239 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.193 27.408 12.498 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.644 30.217 13.360 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.863 29.027 14.628 1.00 0.00 H new ATOM 1176 N GLY A 77 5.762 28.328 9.115 1.00 0.00 N ATOM 1177 CA GLY A 77 6.770 28.312 8.070 1.00 0.00 C ATOM 1178 C GLY A 77 8.008 27.534 8.470 1.00 0.00 C ATOM 1179 O GLY A 77 9.130 27.948 8.182 1.00 0.00 O ATOM 0 H GLY A 77 4.842 27.994 8.829 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.345 27.874 7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.052 29.336 7.825 1.00 0.00 H new ATOM 1183 N ASN A 78 7.801 26.405 9.140 1.00 0.00 N ATOM 1184 CA ASN A 78 8.910 25.567 9.590 1.00 0.00 C ATOM 1185 C ASN A 78 9.380 24.616 8.499 1.00 0.00 C ATOM 1186 O ASN A 78 10.279 23.804 8.720 1.00 0.00 O ATOM 1187 CB ASN A 78 8.498 24.770 10.824 1.00 0.00 C ATOM 1188 CG ASN A 78 8.325 25.646 12.049 1.00 0.00 C ATOM 1189 OD1 ASN A 78 9.098 26.577 12.276 1.00 0.00 O ATOM 1190 ND2 ASN A 78 7.306 25.351 12.849 1.00 0.00 N ATOM 0 H ASN A 78 6.877 26.048 9.384 1.00 0.00 H new ATOM 0 HA ASN A 78 9.740 26.228 9.839 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.563 24.248 10.620 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.251 24.009 11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.140 25.905 13.689 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.690 24.570 12.623 1.00 0.00 H new ATOM 1197 N GLU A 79 8.780 24.728 7.321 1.00 0.00 N ATOM 1198 CA GLU A 79 9.134 23.892 6.185 1.00 0.00 C ATOM 1199 C GLU A 79 9.347 22.433 6.591 1.00 0.00 C ATOM 1200 O GLU A 79 10.420 22.054 7.061 1.00 0.00 O ATOM 1201 CB GLU A 79 10.377 24.452 5.497 1.00 0.00 C ATOM 1202 CG GLU A 79 11.576 24.618 6.420 1.00 0.00 C ATOM 1203 CD GLU A 79 12.816 25.085 5.683 1.00 0.00 C ATOM 1204 OE1 GLU A 79 12.861 26.269 5.287 1.00 0.00 O ATOM 1205 OE2 GLU A 79 13.742 24.267 5.500 1.00 0.00 O ATOM 0 H GLU A 79 8.037 25.399 7.128 1.00 0.00 H new ATOM 0 HA GLU A 79 8.299 23.907 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.653 23.791 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.132 25.420 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.331 25.335 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.786 23.668 6.912 1.00 0.00 H new ATOM 1212 N VAL A 80 8.313 21.618 6.410 1.00 0.00 N ATOM 1213 CA VAL A 80 8.382 20.205 6.762 1.00 0.00 C ATOM 1214 C VAL A 80 8.394 19.315 5.524 1.00 0.00 C ATOM 1215 O VAL A 80 7.941 19.716 4.453 1.00 0.00 O ATOM 1216 CB VAL A 80 7.204 19.793 7.649 1.00 0.00 C ATOM 1217 CG1 VAL A 80 7.426 18.402 8.226 1.00 0.00 C ATOM 1218 CG2 VAL A 80 6.978 20.814 8.754 1.00 0.00 C ATOM 0 H VAL A 80 7.417 21.912 6.021 1.00 0.00 H new ATOM 0 HA VAL A 80 9.315 20.071 7.309 1.00 0.00 H new ATOM 0 HB VAL A 80 6.306 19.762 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.577 18.129 8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.523 17.682 7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.336 18.398 8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.136 20.501 9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.874 20.887 9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.762 21.787 8.312 1.00 0.00 H new ATOM 1228 N VAL A 81 8.905 18.100 5.688 1.00 0.00 N ATOM 1229 CA VAL A 81 8.966 17.139 4.595 1.00 0.00 C ATOM 1230 C VAL A 81 8.017 15.974 4.860 1.00 0.00 C ATOM 1231 O VAL A 81 8.432 14.923 5.348 1.00 0.00 O ATOM 1232 CB VAL A 81 10.395 16.596 4.395 1.00 0.00 C ATOM 1233 CG1 VAL A 81 10.445 15.636 3.214 1.00 0.00 C ATOM 1234 CG2 VAL A 81 11.380 17.740 4.202 1.00 0.00 C ATOM 0 H VAL A 81 9.284 17.757 6.571 1.00 0.00 H new ATOM 0 HA VAL A 81 8.665 17.661 3.686 1.00 0.00 H new ATOM 0 HB VAL A 81 10.681 16.047 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.462 15.264 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.772 14.798 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.136 16.157 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.383 17.337 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.097 18.320 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.367 18.384 5.082 1.00 0.00 H new ATOM 1244 N PRO A 82 6.722 16.152 4.548 1.00 0.00 N ATOM 1245 CA PRO A 82 5.703 15.121 4.759 1.00 0.00 C ATOM 1246 C PRO A 82 6.178 13.726 4.366 1.00 0.00 C ATOM 1247 O PRO A 82 7.001 13.568 3.465 1.00 0.00 O ATOM 1248 CB PRO A 82 4.567 15.577 3.848 1.00 0.00 C ATOM 1249 CG PRO A 82 4.674 17.063 3.842 1.00 0.00 C ATOM 1250 CD PRO A 82 6.143 17.381 3.968 1.00 0.00 C ATOM 0 HA PRO A 82 5.427 15.028 5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.673 15.166 2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.598 15.249 4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.263 17.479 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.110 17.497 4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.586 17.614 3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.311 18.245 4.611 1.00 0.00 H new ATOM 1258 N LYS A 83 5.650 12.719 5.055 1.00 0.00 N ATOM 1259 CA LYS A 83 6.009 11.328 4.792 1.00 0.00 C ATOM 1260 C LYS A 83 5.999 11.021 3.301 1.00 0.00 C ATOM 1261 O LYS A 83 5.535 11.820 2.487 1.00 0.00 O ATOM 1262 CB LYS A 83 5.051 10.386 5.524 1.00 0.00 C ATOM 1263 CG LYS A 83 5.488 10.058 6.943 1.00 0.00 C ATOM 1264 CD LYS A 83 5.300 8.583 7.260 1.00 0.00 C ATOM 1265 CE LYS A 83 5.109 8.353 8.750 1.00 0.00 C ATOM 1266 NZ LYS A 83 4.606 6.981 9.042 1.00 0.00 N ATOM 0 H LYS A 83 4.968 12.841 5.804 1.00 0.00 H new ATOM 0 HA LYS A 83 7.022 11.172 5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.060 10.839 5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.961 9.460 4.957 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.536 10.328 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.914 10.658 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.435 8.201 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.167 8.022 6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.057 8.509 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.407 9.088 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.803 7.038 9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.297 6.529 8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.367 6.416 9.471 1.00 0.00 H new ATOM 1280 N PRO A 84 6.537 9.853 2.932 1.00 0.00 N ATOM 1281 CA PRO A 84 6.633 9.406 1.541 1.00 0.00 C ATOM 1282 C PRO A 84 5.303 8.892 1.003 1.00 0.00 C ATOM 1283 O PRO A 84 4.298 8.875 1.714 1.00 0.00 O ATOM 1284 CB PRO A 84 7.671 8.269 1.612 1.00 0.00 C ATOM 1285 CG PRO A 84 8.232 8.337 2.998 1.00 0.00 C ATOM 1286 CD PRO A 84 7.125 8.869 3.839 1.00 0.00 C ATOM 0 HA PRO A 84 6.911 10.215 0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.208 7.301 1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.452 8.402 0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.551 7.353 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.105 8.988 3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.414 8.094 4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.488 9.323 4.761 1.00 0.00 H new ATOM 1311 N ARG A 86 2.184 6.575 -0.318 1.00 0.00 N ATOM 1312 CA ARG A 86 1.456 5.561 0.435 1.00 0.00 C ATOM 1313 C ARG A 86 0.162 5.177 -0.274 1.00 0.00 C ATOM 1314 O ARG A 86 -0.735 6.005 -0.433 1.00 0.00 O ATOM 1315 CB ARG A 86 1.138 6.081 1.840 1.00 0.00 C ATOM 1316 CG ARG A 86 2.023 5.490 2.925 1.00 0.00 C ATOM 1317 CD ARG A 86 2.385 6.526 3.978 1.00 0.00 C ATOM 1318 NE ARG A 86 2.152 6.032 5.333 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.034 6.819 6.400 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.128 8.138 6.274 1.00 0.00 N ATOM 1321 NH2 ARG A 86 1.822 6.287 7.596 1.00 0.00 N ATOM 0 HA ARG A 86 2.086 4.675 0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.243 7.166 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.096 5.860 2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.510 4.653 3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.934 5.093 2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.433 6.804 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.797 7.429 3.815 1.00 0.00 H new ATOM 0 HE ARG A 86 2.075 5.024 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.291 8.552 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.037 8.737 7.095 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.749 5.275 7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.732 6.890 8.414 1.00 0.00 H new ATOM 1335 N HIS A 87 0.058 3.917 -0.687 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.140 3.443 -1.360 1.00 0.00 C ATOM 1337 C HIS A 87 -2.060 2.762 -0.356 1.00 0.00 C ATOM 1338 O HIS A 87 -1.736 1.701 0.171 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.763 2.479 -2.484 1.00 0.00 C ATOM 1340 CG HIS A 87 0.370 2.973 -3.329 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.193 3.792 -4.424 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.704 2.771 -3.223 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.370 4.071 -4.957 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.302 3.464 -4.245 1.00 0.00 N ATOM 0 H HIS A 87 0.786 3.212 -0.567 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.667 4.292 -1.797 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.492 1.515 -2.052 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.634 2.311 -3.117 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.204 2.175 -2.474 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.540 4.689 -5.826 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.305 3.504 -4.426 1.00 0.00 H new ATOM 1353 N MET A 88 -3.197 3.390 -0.079 1.00 0.00 N ATOM 1354 CA MET A 88 -4.148 2.849 0.885 1.00 0.00 C ATOM 1355 C MET A 88 -5.252 2.052 0.199 1.00 0.00 C ATOM 1356 O MET A 88 -5.908 2.538 -0.721 1.00 0.00 O ATOM 1357 CB MET A 88 -4.759 3.980 1.717 1.00 0.00 C ATOM 1358 CG MET A 88 -4.480 3.855 3.207 1.00 0.00 C ATOM 1359 SD MET A 88 -5.897 4.320 4.221 1.00 0.00 S ATOM 1360 CE MET A 88 -5.612 3.320 5.680 1.00 0.00 C ATOM 0 H MET A 88 -3.482 4.271 -0.506 1.00 0.00 H new ATOM 0 HA MET A 88 -3.603 2.170 1.541 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.369 4.934 1.361 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.837 3.997 1.557 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.197 2.827 3.435 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.629 4.485 3.467 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.537 2.818 5.963 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.846 2.575 5.466 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.280 3.958 6.499 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.454 0.827 0.669 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.482 -0.046 0.122 1.00 0.00 C ATOM 1372 C PHE A 89 -7.307 -0.667 1.244 1.00 0.00 C ATOM 1373 O PHE A 89 -6.785 -1.424 2.062 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.852 -1.150 -0.729 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.940 -0.641 -1.809 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.590 -0.454 -1.561 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.430 -0.360 -3.075 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.748 0.006 -2.555 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.590 0.098 -4.072 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.247 0.281 -3.811 1.00 0.00 C ATOM 0 H PHE A 89 -4.916 0.415 1.431 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.137 0.555 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.290 -1.820 -0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.646 -1.741 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.192 -0.670 -0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.480 -0.501 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.698 0.150 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.984 0.313 -5.054 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.588 0.639 -4.589 1.00 0.00 H new ATOM 1390 N SER A 90 -8.597 -0.348 1.280 1.00 0.00 N ATOM 1391 CA SER A 90 -9.484 -0.884 2.306 1.00 0.00 C ATOM 1392 C SER A 90 -10.139 -2.172 1.829 1.00 0.00 C ATOM 1393 O SER A 90 -10.912 -2.172 0.872 1.00 0.00 O ATOM 1394 CB SER A 90 -10.559 0.139 2.679 1.00 0.00 C ATOM 1395 OG SER A 90 -10.072 1.464 2.558 1.00 0.00 O ATOM 0 H SER A 90 -9.050 0.277 0.613 1.00 0.00 H new ATOM 0 HA SER A 90 -8.884 -1.101 3.190 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.428 0.008 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.892 -0.037 3.702 1.00 0.00 H new ATOM 0 HG SER A 90 -10.780 2.096 2.801 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.814 -3.268 2.498 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.358 -4.569 2.143 1.00 0.00 C ATOM 1403 C PHE A 91 -11.637 -4.862 2.921 1.00 0.00 C ATOM 1404 O PHE A 91 -11.723 -4.593 4.120 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.319 -5.656 2.412 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.227 -5.714 1.382 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.632 -4.554 0.909 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -7.800 -6.931 0.883 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.631 -4.611 -0.040 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.802 -6.995 -0.068 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.216 -5.834 -0.531 1.00 0.00 C ATOM 0 H PHE A 91 -9.174 -3.281 3.292 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.604 -4.559 1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.873 -5.486 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.820 -6.623 2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.955 -3.595 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.253 -7.843 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.173 -3.701 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.480 -7.953 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.435 -5.882 -1.275 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.628 -5.415 2.231 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.903 -5.747 2.853 1.00 0.00 C ATOM 1423 C ASN A 92 -13.990 -7.242 3.142 1.00 0.00 C ATOM 1424 O ASN A 92 -15.061 -7.843 3.044 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.060 -5.324 1.946 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.512 -3.902 2.212 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.769 -3.524 3.355 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.613 -3.105 1.154 1.00 0.00 N ATOM 0 H ASN A 92 -12.572 -5.643 1.238 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.973 -5.206 3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.754 -5.416 0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.900 -6.003 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.914 -2.137 1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.390 -3.461 0.224 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.854 -7.839 3.493 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.797 -9.266 3.791 1.00 0.00 C ATOM 1437 C ASN A 93 -11.379 -9.692 4.143 1.00 0.00 C ATOM 1438 O ASN A 93 -10.450 -9.506 3.358 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.302 -10.079 2.596 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.126 -11.278 3.015 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -14.831 -11.243 4.024 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -14.041 -12.350 2.236 1.00 0.00 N ATOM 0 H ASN A 93 -11.960 -7.355 3.578 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.439 -9.457 4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.903 -9.437 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.451 -10.416 2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.573 -13.190 2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.444 -12.334 1.409 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.223 -10.280 5.324 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.920 -10.750 5.770 1.00 0.00 C ATOM 1451 C ARG A 94 -9.389 -11.827 4.830 1.00 0.00 C ATOM 1452 O ARG A 94 -8.205 -12.163 4.862 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.009 -11.294 7.198 1.00 0.00 C ATOM 1454 CG ARG A 94 -9.449 -10.346 8.247 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.024 -10.715 8.627 1.00 0.00 C ATOM 1456 NE ARG A 94 -7.967 -11.949 9.407 1.00 0.00 N ATOM 1457 CZ ARG A 94 -8.245 -12.018 10.707 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -8.596 -10.928 11.377 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -8.169 -13.183 11.339 1.00 0.00 N ATOM 0 H ARG A 94 -11.981 -10.441 5.987 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.229 -9.907 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.052 -11.507 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.471 -12.240 7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.472 -9.325 7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.081 -10.369 9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.426 -10.830 7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.580 -9.902 9.202 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.698 -12.808 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.654 -10.030 10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.808 -10.988 12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.898 -14.023 10.828 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.382 -13.238 12.335 1.00 0.00 H new ATOM 1473 N THR A 95 -10.269 -12.360 3.986 1.00 0.00 N ATOM 1474 CA THR A 95 -9.886 -13.388 3.035 1.00 0.00 C ATOM 1475 C THR A 95 -9.029 -12.792 1.928 1.00 0.00 C ATOM 1476 O THR A 95 -7.942 -13.287 1.631 1.00 0.00 O ATOM 1477 CB THR A 95 -11.140 -14.045 2.460 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.409 -15.272 3.114 1.00 0.00 O ATOM 1479 CG2 THR A 95 -11.068 -14.323 0.977 1.00 0.00 C ATOM 0 H THR A 95 -11.253 -12.093 3.945 1.00 0.00 H new ATOM 0 HA THR A 95 -9.294 -14.148 3.545 1.00 0.00 H new ATOM 0 HB THR A 95 -11.935 -13.318 2.628 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.216 -15.676 2.733 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.997 -14.789 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.922 -13.387 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.233 -14.994 0.773 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.524 -11.715 1.331 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.796 -11.039 0.262 1.00 0.00 C ATOM 1489 C VAL A 96 -7.423 -10.626 0.762 1.00 0.00 C ATOM 1490 O VAL A 96 -6.415 -10.836 0.089 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.533 -9.787 -0.267 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.435 -9.710 -1.782 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -10.983 -9.770 0.190 1.00 0.00 C ATOM 0 H VAL A 96 -10.422 -11.292 1.566 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.714 -11.747 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.047 -8.905 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -9.960 -8.822 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.387 -9.654 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.888 -10.599 -2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.476 -8.878 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.493 -10.658 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.021 -9.762 1.279 1.00 0.00 H new ATOM 1503 N MET A 97 -7.389 -10.054 1.963 1.00 0.00 N ATOM 1504 CA MET A 97 -6.125 -9.636 2.561 1.00 0.00 C ATOM 1505 C MET A 97 -5.188 -10.827 2.655 1.00 0.00 C ATOM 1506 O MET A 97 -4.029 -10.755 2.249 1.00 0.00 O ATOM 1507 CB MET A 97 -6.329 -9.053 3.960 1.00 0.00 C ATOM 1508 CG MET A 97 -7.596 -8.237 4.107 1.00 0.00 C ATOM 1509 SD MET A 97 -7.345 -6.739 5.078 1.00 0.00 S ATOM 1510 CE MET A 97 -6.345 -7.360 6.428 1.00 0.00 C ATOM 0 H MET A 97 -8.213 -9.871 2.536 1.00 0.00 H new ATOM 0 HA MET A 97 -5.696 -8.862 1.925 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.348 -9.868 4.683 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.473 -8.425 4.209 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.967 -7.967 3.118 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.365 -8.848 4.580 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.864 -7.193 7.372 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.173 -8.428 6.292 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.388 -6.838 6.442 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.707 -11.929 3.187 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.918 -13.144 3.326 1.00 0.00 C ATOM 1522 C ASP A 98 -4.293 -13.526 1.991 1.00 0.00 C ATOM 1523 O ASP A 98 -3.195 -14.069 1.938 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.786 -14.290 3.849 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.961 -15.475 4.311 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.503 -16.252 3.447 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.773 -15.627 5.536 1.00 0.00 O ATOM 0 H ASP A 98 -6.666 -12.004 3.527 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.121 -12.956 4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.397 -13.931 4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.471 -14.611 3.064 1.00 0.00 H new ATOM 1532 N ASN A 99 -5.008 -13.227 0.918 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.537 -13.521 -0.429 1.00 0.00 C ATOM 1534 C ASN A 99 -3.583 -12.436 -0.927 1.00 0.00 C ATOM 1535 O ASN A 99 -2.446 -12.719 -1.304 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.720 -13.655 -1.388 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.435 -14.984 -1.243 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.983 -16.005 -1.762 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.559 -14.978 -0.534 1.00 0.00 N ATOM 0 H ASN A 99 -5.923 -12.778 0.953 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.995 -14.466 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.425 -12.844 -1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.367 -13.546 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.084 -15.843 -0.402 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.897 -14.109 -0.121 1.00 0.00 H new ATOM 1546 N ILE A 100 -4.065 -11.195 -0.937 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.271 -10.059 -1.403 1.00 0.00 C ATOM 1548 C ILE A 100 -2.064 -9.801 -0.507 1.00 0.00 C ATOM 1549 O ILE A 100 -0.921 -9.839 -0.960 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.123 -8.772 -1.452 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.239 -8.907 -2.489 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.248 -7.560 -1.751 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.771 -8.718 -3.913 1.00 0.00 C ATOM 0 H ILE A 100 -5.005 -10.950 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.924 -10.317 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.582 -8.625 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.694 -9.893 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.016 -8.174 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.867 -6.663 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.494 -7.454 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.757 -7.695 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.617 -8.828 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.342 -7.722 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.016 -9.467 -4.150 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.331 -9.516 0.762 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.272 -9.224 1.721 1.00 0.00 C ATOM 1567 C LYS A 101 -0.179 -10.288 1.688 1.00 0.00 C ATOM 1568 O LYS A 101 1.003 -9.977 1.823 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.852 -9.122 3.133 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.825 -8.737 4.185 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.974 -9.576 5.444 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.340 -9.385 6.083 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.261 -9.368 7.570 1.00 0.00 N ATOM 0 H LYS A 101 -3.273 -9.481 1.151 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.825 -8.270 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.655 -8.385 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.297 -10.079 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.178 -8.864 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.937 -7.682 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.829 -10.628 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.196 -9.304 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.777 -8.450 5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.005 -10.187 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.865 -10.120 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.277 -9.526 7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.586 -8.446 7.924 1.00 0.00 H new ATOM 1587 N MET A 102 -0.579 -11.543 1.513 1.00 0.00 N ATOM 1588 CA MET A 102 0.374 -12.643 1.472 1.00 0.00 C ATOM 1589 C MET A 102 1.035 -12.742 0.106 1.00 0.00 C ATOM 1590 O MET A 102 2.164 -13.219 -0.008 1.00 0.00 O ATOM 1591 CB MET A 102 -0.312 -13.966 1.809 1.00 0.00 C ATOM 1592 CG MET A 102 -0.685 -14.103 3.276 1.00 0.00 C ATOM 1593 SD MET A 102 -0.740 -15.820 3.826 1.00 0.00 S ATOM 1594 CE MET A 102 -1.570 -16.603 2.443 1.00 0.00 C ATOM 0 H MET A 102 -1.553 -11.822 1.398 1.00 0.00 H new ATOM 0 HA MET A 102 1.142 -12.441 2.218 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.213 -14.063 1.203 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.348 -14.788 1.532 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.036 -13.555 3.882 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.658 -13.641 3.443 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.882 -17.608 2.728 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.445 -16.016 2.165 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.888 -16.661 1.595 1.00 0.00 H new ATOM 1604 N THR A 103 0.339 -12.287 -0.932 1.00 0.00 N ATOM 1605 CA THR A 103 0.885 -12.335 -2.267 1.00 0.00 C ATOM 1606 C THR A 103 1.819 -11.150 -2.488 1.00 0.00 C ATOM 1607 O THR A 103 2.803 -11.251 -3.219 1.00 0.00 O ATOM 1608 CB THR A 103 -0.255 -12.353 -3.288 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.617 -13.684 -3.606 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.077 -11.649 -4.579 1.00 0.00 C ATOM 0 H THR A 103 -0.596 -11.885 -0.867 1.00 0.00 H new ATOM 0 HA THR A 103 1.468 -13.247 -2.396 1.00 0.00 H new ATOM 0 HB THR A 103 -1.076 -11.819 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.361 -13.966 -3.034 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.778 -11.703 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.312 -10.605 -4.374 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.937 -12.130 -5.045 1.00 0.00 H new ATOM 1618 N LEU A 104 1.511 -10.033 -1.837 1.00 0.00 N ATOM 1619 CA LEU A 104 2.336 -8.840 -1.950 1.00 0.00 C ATOM 1620 C LEU A 104 3.713 -9.103 -1.350 1.00 0.00 C ATOM 1621 O LEU A 104 4.732 -8.970 -2.027 1.00 0.00 O ATOM 1622 CB LEU A 104 1.672 -7.656 -1.241 1.00 0.00 C ATOM 1623 CG LEU A 104 0.406 -7.116 -1.912 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.399 -6.277 -0.933 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.757 -6.294 -3.142 1.00 0.00 C ATOM 0 H LEU A 104 0.699 -9.931 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 104 2.446 -8.592 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.424 -7.956 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.397 -6.846 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.200 -7.966 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.295 -5.901 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.686 -6.890 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.206 -5.437 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.157 -5.920 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.386 -5.453 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.294 -6.919 -3.856 1.00 0.00 H new ATOM 1637 N GLN A 105 3.730 -9.491 -0.075 1.00 0.00 N ATOM 1638 CA GLN A 105 4.983 -9.784 0.615 1.00 0.00 C ATOM 1639 C GLN A 105 5.694 -10.971 -0.027 1.00 0.00 C ATOM 1640 O GLN A 105 6.923 -11.010 -0.081 1.00 0.00 O ATOM 1641 CB GLN A 105 4.740 -10.058 2.102 1.00 0.00 C ATOM 1642 CG GLN A 105 3.640 -11.071 2.378 1.00 0.00 C ATOM 1643 CD GLN A 105 2.886 -10.774 3.660 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.676 -11.659 4.489 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.474 -9.522 3.828 1.00 0.00 N ATOM 0 H GLN A 105 2.894 -9.609 0.497 1.00 0.00 H new ATOM 0 HA GLN A 105 5.622 -8.906 0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.667 -10.414 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.487 -9.120 2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.940 -11.080 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.076 -12.068 2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.670 -8.820 3.114 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.961 -9.263 4.671 1.00 0.00 H new ATOM 1654 N GLN A 106 4.919 -11.934 -0.527 1.00 0.00 N ATOM 1655 CA GLN A 106 5.497 -13.107 -1.176 1.00 0.00 C ATOM 1656 C GLN A 106 6.480 -12.669 -2.255 1.00 0.00 C ATOM 1657 O GLN A 106 7.527 -13.284 -2.455 1.00 0.00 O ATOM 1658 CB GLN A 106 4.395 -13.980 -1.786 1.00 0.00 C ATOM 1659 CG GLN A 106 4.142 -15.264 -1.015 1.00 0.00 C ATOM 1660 CD GLN A 106 3.914 -16.455 -1.924 1.00 0.00 C ATOM 1661 OE1 GLN A 106 4.827 -17.243 -2.175 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.692 -16.592 -2.426 1.00 0.00 N ATOM 0 H GLN A 106 3.900 -11.924 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 106 6.028 -13.696 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.470 -13.405 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.666 -14.229 -2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.993 -15.466 -0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.273 -15.131 -0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.966 -15.916 -2.191 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.480 -17.374 -3.046 1.00 0.00 H new ATOM 1671 N ILE A 107 6.131 -11.581 -2.929 1.00 0.00 N ATOM 1672 CA ILE A 107 6.967 -11.014 -3.977 1.00 0.00 C ATOM 1673 C ILE A 107 7.999 -10.074 -3.370 1.00 0.00 C ATOM 1674 O ILE A 107 9.196 -10.200 -3.622 1.00 0.00 O ATOM 1675 CB ILE A 107 6.119 -10.251 -5.009 1.00 0.00 C ATOM 1676 CG1 ILE A 107 4.898 -11.078 -5.416 1.00 0.00 C ATOM 1677 CG2 ILE A 107 6.964 -9.914 -6.219 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.784 -10.252 -6.022 1.00 0.00 C ATOM 0 H ILE A 107 5.264 -11.069 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 107 7.474 -11.834 -4.485 1.00 0.00 H new ATOM 0 HB ILE A 107 5.764 -9.324 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.207 -11.839 -6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.516 -11.602 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.358 -9.374 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.805 -9.292 -5.913 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.338 -10.834 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.951 -10.903 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.448 -9.508 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.150 -9.749 -6.917 1.00 0.00 H new ATOM 1690 N ILE A 108 7.518 -9.141 -2.554 1.00 0.00 N ATOM 1691 CA ILE A 108 8.385 -8.173 -1.878 1.00 0.00 C ATOM 1692 C ILE A 108 9.635 -8.839 -1.336 1.00 0.00 C ATOM 1693 O ILE A 108 10.755 -8.465 -1.676 1.00 0.00 O ATOM 1694 CB ILE A 108 7.659 -7.479 -0.708 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.320 -6.896 -1.185 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.555 -6.411 -0.090 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.124 -5.424 -0.876 1.00 0.00 C ATOM 0 H ILE A 108 6.526 -9.032 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 108 8.658 -7.430 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 108 7.441 -8.214 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.239 -7.041 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.509 -7.461 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.030 -5.929 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.469 -6.874 0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.807 -5.666 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.152 -5.100 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.169 -5.269 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.910 -4.843 -1.359 1.00 0.00 H new ATOM 1709 N SER A 109 9.426 -9.833 -0.493 1.00 0.00 N ATOM 1710 CA SER A 109 10.528 -10.578 0.112 1.00 0.00 C ATOM 1711 C SER A 109 11.556 -10.986 -0.940 1.00 0.00 C ATOM 1712 O SER A 109 12.734 -11.172 -0.635 1.00 0.00 O ATOM 1713 CB SER A 109 10.000 -11.816 0.836 1.00 0.00 C ATOM 1714 OG SER A 109 8.912 -11.488 1.683 1.00 0.00 O ATOM 0 H SER A 109 8.499 -10.149 -0.207 1.00 0.00 H new ATOM 0 HA SER A 109 11.018 -9.926 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.684 -12.561 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.800 -12.266 1.424 1.00 0.00 H new ATOM 0 HG SER A 109 8.093 -11.416 1.150 1.00 0.00 H new ATOM 1720 N ARG A 110 11.099 -11.119 -2.178 1.00 0.00 N ATOM 1721 CA ARG A 110 11.969 -11.501 -3.282 1.00 0.00 C ATOM 1722 C ARG A 110 12.881 -10.350 -3.691 1.00 0.00 C ATOM 1723 O ARG A 110 13.957 -10.570 -4.241 1.00 0.00 O ATOM 1724 CB ARG A 110 11.140 -11.962 -4.483 1.00 0.00 C ATOM 1725 CG ARG A 110 10.016 -12.919 -4.117 1.00 0.00 C ATOM 1726 CD ARG A 110 9.241 -13.364 -5.347 1.00 0.00 C ATOM 1727 NE ARG A 110 8.167 -14.295 -5.009 1.00 0.00 N ATOM 1728 CZ ARG A 110 7.573 -15.092 -5.894 1.00 0.00 C ATOM 1729 NH1 ARG A 110 7.944 -15.075 -7.168 1.00 0.00 N ATOM 1730 NH2 ARG A 110 6.603 -15.909 -5.503 1.00 0.00 N ATOM 0 H ARG A 110 10.126 -10.967 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 110 12.593 -12.327 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.715 -11.088 -4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.799 -12.447 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.430 -13.791 -3.611 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.338 -12.434 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.821 -12.491 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.923 -13.838 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 110 7.854 -14.337 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.689 -14.449 -7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.485 -15.688 -7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.313 -15.926 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.147 -16.520 -6.180 1.00 0.00 H new ATOM 1744 N TYR A 111 12.452 -9.123 -3.416 1.00 0.00 N ATOM 1745 CA TYR A 111 13.245 -7.948 -3.757 1.00 0.00 C ATOM 1746 C TYR A 111 14.397 -7.811 -2.776 1.00 0.00 C ATOM 1747 O TYR A 111 15.498 -7.400 -3.140 1.00 0.00 O ATOM 1748 CB TYR A 111 12.407 -6.660 -3.734 1.00 0.00 C ATOM 1749 CG TYR A 111 10.962 -6.804 -4.178 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.511 -7.921 -4.877 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.043 -5.801 -3.889 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.194 -8.030 -5.269 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.722 -5.905 -4.280 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.302 -7.019 -4.968 1.00 0.00 C ATOM 1755 OH TYR A 111 6.987 -7.123 -5.354 1.00 0.00 O ATOM 0 H TYR A 111 11.563 -8.917 -2.960 1.00 0.00 H new ATOM 0 HA TYR A 111 13.620 -8.087 -4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.418 -6.260 -2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.892 -5.922 -4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.204 -8.714 -5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.368 -4.924 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.860 -8.903 -5.810 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.023 -5.116 -4.047 1.00 0.00 H new ATOM 0 HH TYR A 111 6.427 -7.291 -4.567 1.00 0.00 H new ATOM 1765 N LYS A 112 14.132 -8.184 -1.531 1.00 0.00 N ATOM 1766 CA LYS A 112 15.138 -8.133 -0.486 1.00 0.00 C ATOM 1767 C LYS A 112 15.976 -9.379 -0.592 1.00 0.00 C ATOM 1768 O LYS A 112 17.205 -9.345 -0.526 1.00 0.00 O ATOM 1769 CB LYS A 112 14.524 -8.042 0.918 1.00 0.00 C ATOM 1770 CG LYS A 112 13.032 -8.271 0.943 1.00 0.00 C ATOM 1771 CD LYS A 112 12.317 -7.151 0.226 1.00 0.00 C ATOM 1772 CE LYS A 112 12.402 -5.858 1.001 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.187 -5.016 0.822 1.00 0.00 N ATOM 0 H LYS A 112 13.222 -8.527 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 112 15.738 -7.234 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.006 -8.775 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.739 -7.059 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.796 -9.224 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.684 -8.332 1.974 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.753 -7.013 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.271 -7.420 0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.537 -6.079 2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.280 -5.299 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.416 -4.025 1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.857 -5.088 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.438 -5.346 1.464 1.00 0.00 H new ATOM 1787 N ASP A 113 15.274 -10.480 -0.798 1.00 0.00 N ATOM 1788 CA ASP A 113 15.913 -11.771 -0.966 1.00 0.00 C ATOM 1789 C ASP A 113 16.809 -11.726 -2.191 1.00 0.00 C ATOM 1790 O ASP A 113 17.854 -12.375 -2.243 1.00 0.00 O ATOM 1791 CB ASP A 113 14.866 -12.878 -1.114 1.00 0.00 C ATOM 1792 CG ASP A 113 15.488 -14.259 -1.171 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.397 -14.534 -0.359 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.068 -15.066 -2.027 1.00 0.00 O ATOM 0 H ASP A 113 14.256 -10.504 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 113 16.512 -11.992 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.170 -12.830 -0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.286 -12.706 -2.021 1.00 0.00 H new ATOM 1799 N ALA A 114 16.396 -10.925 -3.168 1.00 0.00 N ATOM 1800 CA ALA A 114 17.160 -10.756 -4.389 1.00 0.00 C ATOM 1801 C ALA A 114 18.104 -9.564 -4.271 1.00 0.00 C ATOM 1802 O ALA A 114 19.089 -9.465 -5.002 1.00 0.00 O ATOM 1803 CB ALA A 114 16.237 -10.588 -5.586 1.00 0.00 C ATOM 0 H ALA A 114 15.533 -10.383 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 114 17.757 -11.655 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.833 -10.463 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.607 -11.472 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.609 -9.709 -5.441 1.00 0.00 H new