USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 772 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 97 CYS SG : rot 30:sc= 0.84 USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 100 CYS SG : rot -54:sc= -1.81 USER MOD Set 1.4: A 102 GLN :FLIP amide:sc= -0.118 X(o=-7.9,f=-7.4) USER MOD Set 1.5: A 113 HIS :FLIP no HE2:sc= -4.08 F(o=-10!,f=-7.4) USER MOD Set 1.6: A 114 MET CE :methyl -116:sc= -0.211 (180deg=-0.574) USER MOD Set 1.7: A 118 HIS : no HD1:sc= -2! K(o=-7.4!,f=-8.4) USER MOD Set 2.1: A 69 CYS SG : rot -130:sc= -2.61 USER MOD Set 2.2: A 72 CYS SG : rot -36:sc= -1.31! USER MOD Set 2.3: A 85 HIS : no HD1:sc= -1.63 X(o=-13,f=-13) USER MOD Set 2.4: A 86 MET CE :methyl 149:sc= -3.48 (180deg=-1.63) USER MOD Set 2.5: A 89 HIS : no HD1:sc= -3.78! C(o=-13!,f=-16!) USER MOD Set 3.1: A 38 CYS SG : rot 115:sc= -1.17 USER MOD Set 3.2: A 41 CYS SG : rot -62:sc= -1.29 USER MOD Set 3.3: A 54 HIS :FLIP no HD1:sc= -1.71 F(o=-5.6,f=-4.2) USER MOD Set 4.1: A 10 CYS SG : rot 161:sc= 0.0943 USER MOD Set 4.2: A 12 THR OG1 : rot 92:sc= 0.098 USER MOD Set 4.3: A 13 CYS SG : rot -37:sc= -2.32 USER MOD Set 4.4: A 26 HIS : no HE2:sc= -2.29 K(o=-4.4,f=-5.3!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0233 (180deg=-0.236) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -132:sc= -0.232 (180deg=-1.44!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 31:sc= 0.114 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0783) USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -31:sc= 0.806 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.158 F(o=-0.68,f=-0.16) USER MOD Single : A 75 THR OG1 : rot 32:sc= 0.116 USER MOD Single : A 80 MET CE :methyl -133:sc= -1.59 (180deg=-4.16!) USER MOD Single : A 88 SER OG : rot -57:sc= 1.29 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.637 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 135:sc= -1.61 (180deg=-2.54) USER MOD Single : A 106 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 154:sc=-0.00238 (180deg=-0.762) USER MOD Single : A 111 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.3!) USER MOD Single : A 112 SER OG : rot 180:sc= -0.996 USER MOD Single : A 116 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0987) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 10.730 13.237 18.241 1.00 0.00 N ATOM 60 CA GLY A 7 9.909 12.549 17.262 1.00 0.00 C ATOM 61 C GLY A 7 8.471 12.397 17.717 1.00 0.00 C ATOM 62 O GLY A 7 8.075 12.949 18.743 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.933 13.099 16.321 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.331 11.563 17.066 1.00 0.00 H new ATOM 66 N VAL A 8 7.686 11.646 16.950 1.00 0.00 N ATOM 67 CA VAL A 8 6.283 11.424 17.279 1.00 0.00 C ATOM 68 C VAL A 8 6.105 10.144 18.089 1.00 0.00 C ATOM 69 O VAL A 8 7.032 9.344 18.214 1.00 0.00 O ATOM 70 CB VAL A 8 5.415 11.339 16.010 1.00 0.00 C ATOM 71 CG1 VAL A 8 5.406 12.674 15.279 1.00 0.00 C ATOM 72 CG2 VAL A 8 5.911 10.227 15.098 1.00 0.00 C ATOM 0 H VAL A 8 7.998 11.182 16.097 1.00 0.00 H new ATOM 0 HA VAL A 8 5.959 12.277 17.875 1.00 0.00 H new ATOM 0 HB VAL A 8 4.392 11.106 16.306 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.788 12.595 14.385 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.000 13.445 15.934 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.424 12.940 14.994 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.286 10.182 14.206 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.943 10.427 14.808 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.861 9.274 15.625 1.00 0.00 H new ATOM 82 N GLU A 9 4.908 9.958 18.636 1.00 0.00 N ATOM 83 CA GLU A 9 4.609 8.775 19.434 1.00 0.00 C ATOM 84 C GLU A 9 3.206 8.256 19.134 1.00 0.00 C ATOM 85 O GLU A 9 2.241 9.020 19.111 1.00 0.00 O ATOM 86 CB GLU A 9 4.739 9.092 20.925 1.00 0.00 C ATOM 87 CG GLU A 9 4.316 7.947 21.830 1.00 0.00 C ATOM 88 CD GLU A 9 4.821 8.110 23.251 1.00 0.00 C ATOM 89 OE1 GLU A 9 4.186 8.859 24.023 1.00 0.00 O ATOM 90 OE2 GLU A 9 5.850 7.489 23.590 1.00 0.00 O ATOM 0 H GLU A 9 4.130 10.611 18.541 1.00 0.00 H new ATOM 0 HA GLU A 9 5.328 8.000 19.170 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.775 9.353 21.143 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.134 9.969 21.156 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.228 7.880 21.840 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.690 7.008 21.421 1.00 0.00 H new ATOM 97 N CYS A 10 3.100 6.951 18.903 1.00 0.00 N ATOM 98 CA CYS A 10 1.817 6.329 18.603 1.00 0.00 C ATOM 99 C CYS A 10 1.002 6.121 19.876 1.00 0.00 C ATOM 100 O CYS A 10 1.374 5.352 20.763 1.00 0.00 O ATOM 101 CB CYS A 10 2.029 4.988 17.897 1.00 0.00 C ATOM 102 SG CYS A 10 0.491 4.070 17.566 1.00 0.00 S ATOM 0 H CYS A 10 3.889 6.304 18.918 1.00 0.00 H new ATOM 0 HA CYS A 10 1.264 6.997 17.943 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.545 5.164 16.953 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.685 4.368 18.508 1.00 0.00 H new ATOM 0 HG CYS A 10 0.706 3.183 16.640 1.00 0.00 H new ATOM 107 N PRO A 11 -0.137 6.823 19.971 1.00 0.00 N ATOM 108 CA PRO A 11 -1.029 6.733 21.130 1.00 0.00 C ATOM 109 C PRO A 11 -1.738 5.385 21.213 1.00 0.00 C ATOM 110 O PRO A 11 -2.593 5.173 22.073 1.00 0.00 O ATOM 111 CB PRO A 11 -2.041 7.855 20.888 1.00 0.00 C ATOM 112 CG PRO A 11 -2.044 8.050 19.411 1.00 0.00 C ATOM 113 CD PRO A 11 -0.642 7.759 18.952 1.00 0.00 C ATOM 0 HA PRO A 11 -0.485 6.827 22.070 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.031 7.581 21.253 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.751 8.768 21.407 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.759 7.382 18.931 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.336 9.068 19.152 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.629 7.315 17.957 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.038 8.665 18.904 1.00 0.00 H new ATOM 121 N THR A 12 -1.377 4.475 20.313 1.00 0.00 N ATOM 122 CA THR A 12 -1.978 3.148 20.284 1.00 0.00 C ATOM 123 C THR A 12 -1.068 2.117 20.941 1.00 0.00 C ATOM 124 O THR A 12 -1.479 1.404 21.856 1.00 0.00 O ATOM 125 CB THR A 12 -2.284 2.702 18.842 1.00 0.00 C ATOM 126 OG1 THR A 12 -2.853 3.789 18.103 1.00 0.00 O ATOM 127 CG2 THR A 12 -3.242 1.520 18.833 1.00 0.00 C ATOM 0 H THR A 12 -0.671 4.634 19.594 1.00 0.00 H new ATOM 0 HA THR A 12 -2.912 3.212 20.843 1.00 0.00 H new ATOM 0 HB THR A 12 -1.349 2.395 18.374 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.140 4.286 17.651 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.443 1.223 17.804 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.794 0.685 19.371 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.176 1.805 19.318 1.00 0.00 H new ATOM 135 N CYS A 13 0.172 2.044 20.468 1.00 0.00 N ATOM 136 CA CYS A 13 1.142 1.099 21.010 1.00 0.00 C ATOM 137 C CYS A 13 2.376 1.828 21.534 1.00 0.00 C ATOM 138 O CYS A 13 3.428 1.222 21.740 1.00 0.00 O ATOM 139 CB CYS A 13 1.551 0.086 19.939 1.00 0.00 C ATOM 140 SG CYS A 13 2.250 0.836 18.433 1.00 0.00 S ATOM 0 H CYS A 13 0.529 2.627 19.711 1.00 0.00 H new ATOM 0 HA CYS A 13 0.673 0.571 21.840 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.284 -0.600 20.364 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.679 -0.508 19.665 1.00 0.00 H new ATOM 0 HG CYS A 13 1.621 1.942 18.167 1.00 0.00 H new ATOM 145 N HIS A 14 2.240 3.133 21.747 1.00 0.00 N ATOM 146 CA HIS A 14 3.343 3.945 22.248 1.00 0.00 C ATOM 147 C HIS A 14 4.589 3.761 21.386 1.00 0.00 C ATOM 148 O HIS A 14 5.713 3.945 21.853 1.00 0.00 O ATOM 149 CB HIS A 14 3.655 3.581 23.700 1.00 0.00 C ATOM 150 CG HIS A 14 2.463 3.651 24.604 1.00 0.00 C ATOM 151 ND1 HIS A 14 1.586 4.715 24.612 1.00 0.00 N ATOM 152 CD2 HIS A 14 2.004 2.780 25.533 1.00 0.00 C ATOM 153 CE1 HIS A 14 0.640 4.497 25.508 1.00 0.00 C ATOM 154 NE2 HIS A 14 0.870 3.329 26.080 1.00 0.00 N ATOM 0 H HIS A 14 1.377 3.651 21.580 1.00 0.00 H new ATOM 0 HA HIS A 14 3.041 4.991 22.201 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.067 2.572 23.733 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.426 4.253 24.077 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.447 1.831 25.795 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.181 5.161 25.734 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.298 2.904 26.810 1.00 0.00 H new ATOM 162 N LYS A 15 4.381 3.395 20.126 1.00 0.00 N ATOM 163 CA LYS A 15 5.486 3.186 19.198 1.00 0.00 C ATOM 164 C LYS A 15 5.910 4.500 18.551 1.00 0.00 C ATOM 165 O LYS A 15 5.211 5.036 17.691 1.00 0.00 O ATOM 166 CB LYS A 15 5.087 2.179 18.116 1.00 0.00 C ATOM 167 CG LYS A 15 6.199 1.877 17.126 1.00 0.00 C ATOM 168 CD LYS A 15 6.001 0.525 16.461 1.00 0.00 C ATOM 169 CE LYS A 15 7.323 -0.066 15.998 1.00 0.00 C ATOM 170 NZ LYS A 15 7.123 -1.215 15.071 1.00 0.00 N ATOM 0 H LYS A 15 3.457 3.237 19.724 1.00 0.00 H new ATOM 0 HA LYS A 15 6.330 2.790 19.762 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.775 1.250 18.593 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.224 2.564 17.573 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.232 2.657 16.365 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.160 1.893 17.640 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.520 -0.159 17.160 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.330 0.632 15.608 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.911 0.705 15.499 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.897 -0.394 16.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.048 -1.590 14.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.584 -1.962 15.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.597 -0.897 14.232 1.00 0.00 H new ATOM 184 N LYS A 16 7.062 5.016 18.969 1.00 0.00 N ATOM 185 CA LYS A 16 7.581 6.266 18.430 1.00 0.00 C ATOM 186 C LYS A 16 8.252 6.039 17.079 1.00 0.00 C ATOM 187 O LYS A 16 8.624 4.915 16.740 1.00 0.00 O ATOM 188 CB LYS A 16 8.579 6.892 19.407 1.00 0.00 C ATOM 189 CG LYS A 16 7.937 7.407 20.684 1.00 0.00 C ATOM 190 CD LYS A 16 8.757 8.524 21.309 1.00 0.00 C ATOM 191 CE LYS A 16 8.523 8.614 22.809 1.00 0.00 C ATOM 192 NZ LYS A 16 9.337 9.694 23.433 1.00 0.00 N ATOM 0 H LYS A 16 7.654 4.586 19.680 1.00 0.00 H new ATOM 0 HA LYS A 16 6.742 6.948 18.290 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.337 6.152 19.664 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.093 7.715 18.911 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.932 7.770 20.467 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.833 6.588 21.396 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.816 8.352 21.114 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.497 9.474 20.841 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.466 8.798 23.001 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.770 7.659 23.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.149 9.723 24.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.347 9.505 23.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.084 10.609 23.008 1.00 0.00 H new ATOM 206 N PHE A 17 8.405 7.113 16.311 1.00 0.00 N ATOM 207 CA PHE A 17 9.032 7.030 14.997 1.00 0.00 C ATOM 208 C PHE A 17 9.945 8.228 14.753 1.00 0.00 C ATOM 209 O PHE A 17 10.104 9.088 15.620 1.00 0.00 O ATOM 210 CB PHE A 17 7.965 6.957 13.903 1.00 0.00 C ATOM 211 CG PHE A 17 7.117 5.720 13.975 1.00 0.00 C ATOM 212 CD1 PHE A 17 6.091 5.620 14.901 1.00 0.00 C ATOM 213 CD2 PHE A 17 7.345 4.656 13.116 1.00 0.00 C ATOM 214 CE1 PHE A 17 5.308 4.483 14.970 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.565 3.517 13.180 1.00 0.00 C ATOM 216 CZ PHE A 17 5.546 3.430 14.109 1.00 0.00 C ATOM 0 H PHE A 17 8.103 8.051 16.576 1.00 0.00 H new ATOM 0 HA PHE A 17 9.636 6.123 14.967 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.321 7.834 13.975 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.452 6.998 12.929 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.901 6.440 15.577 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.141 4.718 12.389 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.511 4.418 15.696 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.752 2.695 12.504 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.937 2.540 14.162 1.00 0.00 H new ATOM 226 N LEU A 18 10.543 8.277 13.568 1.00 0.00 N ATOM 227 CA LEU A 18 11.442 9.369 13.209 1.00 0.00 C ATOM 228 C LEU A 18 10.661 10.555 12.653 1.00 0.00 C ATOM 229 O LEU A 18 10.972 11.709 12.949 1.00 0.00 O ATOM 230 CB LEU A 18 12.469 8.893 12.181 1.00 0.00 C ATOM 231 CG LEU A 18 11.905 8.218 10.930 1.00 0.00 C ATOM 232 CD1 LEU A 18 12.803 8.479 9.731 1.00 0.00 C ATOM 233 CD2 LEU A 18 11.739 6.723 11.159 1.00 0.00 C ATOM 0 H LEU A 18 10.422 7.574 12.839 1.00 0.00 H new ATOM 0 HA LEU A 18 11.963 9.691 14.111 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.065 9.751 11.869 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.147 8.195 12.671 1.00 0.00 H new ATOM 0 HG LEU A 18 10.924 8.645 10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.385 7.991 8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.870 9.552 9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.798 8.081 9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.337 6.259 10.258 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.708 6.281 11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.054 6.556 11.990 1.00 0.00 H new ATOM 245 N SER A 19 9.645 10.264 11.848 1.00 0.00 N ATOM 246 CA SER A 19 8.820 11.307 11.249 1.00 0.00 C ATOM 247 C SER A 19 7.340 10.949 11.341 1.00 0.00 C ATOM 248 O SER A 19 6.979 9.853 11.772 1.00 0.00 O ATOM 249 CB SER A 19 9.215 11.521 9.786 1.00 0.00 C ATOM 250 OG SER A 19 8.920 12.842 9.367 1.00 0.00 O ATOM 0 H SER A 19 9.373 9.314 11.595 1.00 0.00 H new ATOM 0 HA SER A 19 8.987 12.231 11.802 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.280 11.326 9.661 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.684 10.809 9.155 1.00 0.00 H new ATOM 0 HG SER A 19 9.183 12.954 8.430 1.00 0.00 H new ATOM 256 N LYS A 20 6.486 11.881 10.933 1.00 0.00 N ATOM 257 CA LYS A 20 5.044 11.667 10.967 1.00 0.00 C ATOM 258 C LYS A 20 4.615 10.684 9.882 1.00 0.00 C ATOM 259 O LYS A 20 3.876 9.735 10.148 1.00 0.00 O ATOM 260 CB LYS A 20 4.306 12.995 10.788 1.00 0.00 C ATOM 261 CG LYS A 20 4.122 13.768 12.083 1.00 0.00 C ATOM 262 CD LYS A 20 5.450 14.261 12.632 1.00 0.00 C ATOM 263 CE LYS A 20 5.997 15.418 11.811 1.00 0.00 C ATOM 264 NZ LYS A 20 5.166 16.645 11.959 1.00 0.00 N ATOM 0 H LYS A 20 6.768 12.793 10.574 1.00 0.00 H new ATOM 0 HA LYS A 20 4.787 11.244 11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.857 13.614 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.328 12.801 10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.461 14.617 11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.636 13.131 12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.322 14.577 13.667 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.170 13.443 12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.020 15.632 12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.037 15.131 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.706 17.472 11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.302 16.550 11.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.909 16.772 12.959 1.00 0.00 H new ATOM 278 N TYR A 21 5.082 10.917 8.661 1.00 0.00 N ATOM 279 CA TYR A 21 4.745 10.052 7.536 1.00 0.00 C ATOM 280 C TYR A 21 4.733 8.587 7.960 1.00 0.00 C ATOM 281 O TYR A 21 3.835 7.829 7.592 1.00 0.00 O ATOM 282 CB TYR A 21 5.741 10.256 6.393 1.00 0.00 C ATOM 283 CG TYR A 21 5.508 9.337 5.216 1.00 0.00 C ATOM 284 CD1 TYR A 21 4.623 9.683 4.203 1.00 0.00 C ATOM 285 CD2 TYR A 21 6.174 8.121 5.116 1.00 0.00 C ATOM 286 CE1 TYR A 21 4.406 8.846 3.126 1.00 0.00 C ATOM 287 CE2 TYR A 21 5.965 7.278 4.042 1.00 0.00 C ATOM 288 CZ TYR A 21 5.079 7.645 3.050 1.00 0.00 C ATOM 289 OH TYR A 21 4.867 6.808 1.978 1.00 0.00 O ATOM 0 H TYR A 21 5.695 11.697 8.424 1.00 0.00 H new ATOM 0 HA TYR A 21 3.746 10.319 7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.684 11.290 6.053 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.752 10.100 6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.095 10.624 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.867 7.830 5.892 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.713 9.131 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.492 6.337 3.979 1.00 0.00 H new ATOM 0 HH TYR A 21 5.419 6.004 2.076 1.00 0.00 H new ATOM 299 N TYR A 22 5.737 8.194 8.737 1.00 0.00 N ATOM 300 CA TYR A 22 5.844 6.819 9.210 1.00 0.00 C ATOM 301 C TYR A 22 4.746 6.504 10.221 1.00 0.00 C ATOM 302 O TYR A 22 4.175 5.412 10.215 1.00 0.00 O ATOM 303 CB TYR A 22 7.217 6.581 9.841 1.00 0.00 C ATOM 304 CG TYR A 22 8.298 6.257 8.835 1.00 0.00 C ATOM 305 CD1 TYR A 22 8.095 5.296 7.853 1.00 0.00 C ATOM 306 CD2 TYR A 22 9.523 6.912 8.867 1.00 0.00 C ATOM 307 CE1 TYR A 22 9.080 4.997 6.932 1.00 0.00 C ATOM 308 CE2 TYR A 22 10.513 6.621 7.949 1.00 0.00 C ATOM 309 CZ TYR A 22 10.287 5.662 6.984 1.00 0.00 C ATOM 310 OH TYR A 22 11.272 5.368 6.069 1.00 0.00 O ATOM 0 H TYR A 22 6.488 8.808 9.052 1.00 0.00 H new ATOM 0 HA TYR A 22 5.725 6.156 8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.509 7.469 10.402 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.142 5.763 10.557 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.151 4.774 7.809 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.704 7.662 9.623 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.906 4.246 6.175 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.459 7.141 7.987 1.00 0.00 H new ATOM 0 HH TYR A 22 12.058 5.926 6.244 1.00 0.00 H new ATOM 320 N LEU A 23 4.454 7.467 11.087 1.00 0.00 N ATOM 321 CA LEU A 23 3.423 7.295 12.105 1.00 0.00 C ATOM 322 C LEU A 23 2.055 7.079 11.464 1.00 0.00 C ATOM 323 O LEU A 23 1.369 6.098 11.752 1.00 0.00 O ATOM 324 CB LEU A 23 3.380 8.514 13.027 1.00 0.00 C ATOM 325 CG LEU A 23 2.178 8.601 13.970 1.00 0.00 C ATOM 326 CD1 LEU A 23 2.265 7.529 15.045 1.00 0.00 C ATOM 327 CD2 LEU A 23 2.092 9.984 14.598 1.00 0.00 C ATOM 0 H LEU A 23 4.917 8.376 11.105 1.00 0.00 H new ATOM 0 HA LEU A 23 3.672 6.411 12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.289 8.522 13.628 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.398 9.412 12.410 1.00 0.00 H new ATOM 0 HG LEU A 23 1.271 8.431 13.389 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.402 7.606 15.706 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.277 6.545 14.577 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.179 7.667 15.623 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.231 10.028 15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.001 10.183 15.165 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.981 10.733 13.814 1.00 0.00 H new ATOM 339 N LYS A 24 1.665 8.001 10.590 1.00 0.00 N ATOM 340 CA LYS A 24 0.382 7.912 9.904 1.00 0.00 C ATOM 341 C LYS A 24 0.257 6.591 9.153 1.00 0.00 C ATOM 342 O LYS A 24 -0.786 5.938 9.193 1.00 0.00 O ATOM 343 CB LYS A 24 0.218 9.082 8.931 1.00 0.00 C ATOM 344 CG LYS A 24 1.267 9.111 7.833 1.00 0.00 C ATOM 345 CD LYS A 24 1.005 10.231 6.841 1.00 0.00 C ATOM 346 CE LYS A 24 -0.073 9.847 5.839 1.00 0.00 C ATOM 347 NZ LYS A 24 -0.483 11.002 4.993 1.00 0.00 N ATOM 0 H LYS A 24 2.220 8.819 10.340 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.407 7.959 10.655 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.771 9.029 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.263 10.017 9.489 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.255 9.239 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.274 8.155 7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.701 11.130 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.927 10.472 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.294 9.043 5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.942 9.461 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.219 10.698 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.857 11.760 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.340 11.355 4.465 1.00 0.00 H new ATOM 361 N VAL A 25 1.328 6.201 8.469 1.00 0.00 N ATOM 362 CA VAL A 25 1.339 4.956 7.710 1.00 0.00 C ATOM 363 C VAL A 25 1.253 3.747 8.636 1.00 0.00 C ATOM 364 O VAL A 25 0.567 2.770 8.337 1.00 0.00 O ATOM 365 CB VAL A 25 2.609 4.837 6.845 1.00 0.00 C ATOM 366 CG1 VAL A 25 2.667 3.476 6.167 1.00 0.00 C ATOM 367 CG2 VAL A 25 2.659 5.957 5.818 1.00 0.00 C ATOM 0 H VAL A 25 2.199 6.729 8.425 1.00 0.00 H new ATOM 0 HA VAL A 25 0.465 4.974 7.059 1.00 0.00 H new ATOM 0 HB VAL A 25 3.481 4.930 7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.570 3.410 5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.680 2.692 6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.792 3.349 5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.562 5.858 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.783 5.897 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.668 6.920 6.329 1.00 0.00 H new ATOM 377 N HIS A 26 1.955 3.821 9.763 1.00 0.00 N ATOM 378 CA HIS A 26 1.957 2.733 10.735 1.00 0.00 C ATOM 379 C HIS A 26 0.583 2.579 11.380 1.00 0.00 C ATOM 380 O HIS A 26 0.037 1.478 11.445 1.00 0.00 O ATOM 381 CB HIS A 26 3.013 2.985 11.811 1.00 0.00 C ATOM 382 CG HIS A 26 2.657 2.408 13.146 1.00 0.00 C ATOM 383 ND1 HIS A 26 3.158 1.208 13.605 1.00 0.00 N ATOM 384 CD2 HIS A 26 1.846 2.874 14.124 1.00 0.00 C ATOM 385 CE1 HIS A 26 2.668 0.960 14.807 1.00 0.00 C ATOM 386 NE2 HIS A 26 1.870 1.956 15.145 1.00 0.00 N ATOM 0 H HIS A 26 2.529 4.622 10.025 1.00 0.00 H new ATOM 0 HA HIS A 26 2.198 1.809 10.209 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.962 2.562 11.483 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.163 4.059 11.917 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.805 0.606 13.096 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.284 3.796 14.105 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.884 0.090 15.410 1.00 0.00 H new ATOM 394 N ASN A 27 0.030 3.690 11.857 1.00 0.00 N ATOM 395 CA ASN A 27 -1.279 3.677 12.499 1.00 0.00 C ATOM 396 C ASN A 27 -2.258 2.802 11.722 1.00 0.00 C ATOM 397 O ASN A 27 -3.024 2.037 12.309 1.00 0.00 O ATOM 398 CB ASN A 27 -1.829 5.100 12.611 1.00 0.00 C ATOM 399 CG ASN A 27 -3.345 5.133 12.652 1.00 0.00 C ATOM 400 OD1 ASN A 27 -3.951 4.978 13.712 1.00 0.00 O ATOM 401 ND2 ASN A 27 -3.963 5.335 11.495 1.00 0.00 N ATOM 0 H ASN A 27 0.468 4.610 11.811 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.161 3.260 13.499 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.434 5.569 13.512 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.478 5.690 11.764 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.982 5.367 11.460 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.419 5.458 10.641 1.00 0.00 H new ATOM 543 N PHE A 36 -9.287 -12.408 9.945 1.00 0.00 N ATOM 544 CA PHE A 36 -9.792 -13.334 8.938 1.00 0.00 C ATOM 545 C PHE A 36 -9.561 -12.789 7.532 1.00 0.00 C ATOM 546 O PHE A 36 -9.842 -11.623 7.254 1.00 0.00 O ATOM 547 CB PHE A 36 -11.284 -13.595 9.158 1.00 0.00 C ATOM 548 CG PHE A 36 -11.617 -14.034 10.555 1.00 0.00 C ATOM 549 CD1 PHE A 36 -11.604 -15.378 10.894 1.00 0.00 C ATOM 550 CD2 PHE A 36 -11.941 -13.104 11.529 1.00 0.00 C ATOM 551 CE1 PHE A 36 -11.911 -15.785 12.179 1.00 0.00 C ATOM 552 CE2 PHE A 36 -12.248 -13.505 12.816 1.00 0.00 C ATOM 553 CZ PHE A 36 -12.232 -14.847 13.141 1.00 0.00 C ATOM 0 HA PHE A 36 -9.247 -14.273 9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -11.841 -12.687 8.929 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.618 -14.359 8.456 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.351 -16.115 10.146 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.954 -12.053 11.280 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.900 -16.835 12.431 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -12.500 -12.770 13.566 1.00 0.00 H new ATOM 0 HZ PHE A 36 -12.470 -15.163 14.146 1.00 0.00 H new ATOM 563 N GLU A 37 -9.046 -13.640 6.651 1.00 0.00 N ATOM 564 CA GLU A 37 -8.776 -13.242 5.274 1.00 0.00 C ATOM 565 C GLU A 37 -8.645 -14.465 4.370 1.00 0.00 C ATOM 566 O GLU A 37 -7.978 -15.440 4.719 1.00 0.00 O ATOM 567 CB GLU A 37 -7.498 -12.403 5.203 1.00 0.00 C ATOM 568 CG GLU A 37 -7.230 -11.817 3.827 1.00 0.00 C ATOM 569 CD GLU A 37 -5.944 -11.016 3.775 1.00 0.00 C ATOM 570 OE1 GLU A 37 -5.961 -9.840 4.193 1.00 0.00 O ATOM 571 OE2 GLU A 37 -4.920 -11.565 3.316 1.00 0.00 O ATOM 0 H GLU A 37 -8.807 -14.608 6.865 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.616 -12.642 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.566 -11.591 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.650 -13.022 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.181 -12.624 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.064 -11.177 3.540 1.00 0.00 H new ATOM 578 N CYS A 38 -9.285 -14.406 3.208 1.00 0.00 N ATOM 579 CA CYS A 38 -9.242 -15.507 2.253 1.00 0.00 C ATOM 580 C CYS A 38 -7.801 -15.888 1.927 1.00 0.00 C ATOM 581 O CYS A 38 -7.054 -15.124 1.316 1.00 0.00 O ATOM 582 CB CYS A 38 -9.984 -15.127 0.970 1.00 0.00 C ATOM 583 SG CYS A 38 -10.228 -16.513 -0.186 1.00 0.00 S ATOM 0 H CYS A 38 -9.841 -13.606 2.904 1.00 0.00 H new ATOM 0 HA CYS A 38 -9.733 -16.368 2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.957 -14.713 1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.429 -14.338 0.462 1.00 0.00 H new ATOM 0 HG CYS A 38 -11.498 -16.765 -0.299 1.00 0.00 H new ATOM 588 N PRO A 39 -7.400 -17.098 2.344 1.00 0.00 N ATOM 589 CA PRO A 39 -6.047 -17.609 2.106 1.00 0.00 C ATOM 590 C PRO A 39 -5.796 -17.924 0.636 1.00 0.00 C ATOM 591 O PRO A 39 -4.691 -18.310 0.252 1.00 0.00 O ATOM 592 CB PRO A 39 -6.000 -18.890 2.943 1.00 0.00 C ATOM 593 CG PRO A 39 -7.421 -19.324 3.053 1.00 0.00 C ATOM 594 CD PRO A 39 -8.238 -18.062 3.078 1.00 0.00 C ATOM 0 HA PRO A 39 -5.283 -16.879 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.389 -19.654 2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.565 -18.705 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.703 -19.955 2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.581 -19.911 3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.206 -18.201 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.433 -17.730 4.098 1.00 0.00 H new ATOM 602 N LYS A 40 -6.827 -17.758 -0.185 1.00 0.00 N ATOM 603 CA LYS A 40 -6.719 -18.022 -1.614 1.00 0.00 C ATOM 604 C LYS A 40 -6.346 -16.754 -2.376 1.00 0.00 C ATOM 605 O LYS A 40 -5.523 -16.786 -3.291 1.00 0.00 O ATOM 606 CB LYS A 40 -8.038 -18.584 -2.152 1.00 0.00 C ATOM 607 CG LYS A 40 -8.482 -19.861 -1.460 1.00 0.00 C ATOM 608 CD LYS A 40 -7.524 -21.007 -1.737 1.00 0.00 C ATOM 609 CE LYS A 40 -7.629 -21.484 -3.178 1.00 0.00 C ATOM 610 NZ LYS A 40 -6.633 -20.813 -4.058 1.00 0.00 N ATOM 0 H LYS A 40 -7.749 -17.441 0.116 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.930 -18.759 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.817 -17.830 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.933 -18.777 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.546 -19.690 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.482 -20.131 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.503 -20.687 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.740 -21.835 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.478 -22.563 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.634 -21.290 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.106 -20.467 -4.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.206 -20.011 -3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.890 -21.491 -4.321 1.00 0.00 H new ATOM 624 N CYS A 41 -6.957 -15.638 -1.992 1.00 0.00 N ATOM 625 CA CYS A 41 -6.689 -14.359 -2.637 1.00 0.00 C ATOM 626 C CYS A 41 -6.140 -13.348 -1.634 1.00 0.00 C ATOM 627 O CYS A 41 -5.144 -12.676 -1.896 1.00 0.00 O ATOM 628 CB CYS A 41 -7.964 -13.812 -3.283 1.00 0.00 C ATOM 629 SG CYS A 41 -9.336 -13.549 -2.113 1.00 0.00 S ATOM 0 H CYS A 41 -7.641 -15.594 -1.237 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.939 -14.521 -3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.733 -12.867 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.290 -14.503 -4.060 1.00 0.00 H new ATOM 0 HG CYS A 41 -9.680 -14.686 -1.585 1.00 0.00 H new ATOM 634 N GLY A 42 -6.799 -13.247 -0.484 1.00 0.00 N ATOM 635 CA GLY A 42 -6.363 -12.317 0.541 1.00 0.00 C ATOM 636 C GLY A 42 -7.433 -11.305 0.899 1.00 0.00 C ATOM 637 O GLY A 42 -7.129 -10.199 1.346 1.00 0.00 O ATOM 0 H GLY A 42 -7.627 -13.792 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.080 -12.873 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.472 -11.792 0.196 1.00 0.00 H new ATOM 641 N LYS A 43 -8.692 -11.682 0.701 1.00 0.00 N ATOM 642 CA LYS A 43 -9.812 -10.800 1.005 1.00 0.00 C ATOM 643 C LYS A 43 -10.172 -10.867 2.486 1.00 0.00 C ATOM 644 O LYS A 43 -10.759 -11.846 2.948 1.00 0.00 O ATOM 645 CB LYS A 43 -11.029 -11.176 0.157 1.00 0.00 C ATOM 646 CG LYS A 43 -11.933 -9.999 -0.167 1.00 0.00 C ATOM 647 CD LYS A 43 -11.411 -9.205 -1.353 1.00 0.00 C ATOM 648 CE LYS A 43 -11.811 -7.741 -1.264 1.00 0.00 C ATOM 649 NZ LYS A 43 -11.680 -7.049 -2.576 1.00 0.00 N ATOM 0 H LYS A 43 -8.962 -12.593 0.331 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.512 -9.779 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.687 -11.627 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.608 -11.934 0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.938 -10.360 -0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.009 -9.347 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.325 -9.284 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.798 -9.633 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.841 -7.667 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.187 -7.239 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.962 -6.053 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.692 -7.098 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.294 -7.512 -3.276 1.00 0.00 H new ATOM 663 N CYS A 44 -9.817 -9.821 3.224 1.00 0.00 N ATOM 664 CA CYS A 44 -10.103 -9.761 4.653 1.00 0.00 C ATOM 665 C CYS A 44 -11.601 -9.617 4.902 1.00 0.00 C ATOM 666 O CYS A 44 -12.328 -9.068 4.074 1.00 0.00 O ATOM 667 CB CYS A 44 -9.353 -8.594 5.296 1.00 0.00 C ATOM 668 SG CYS A 44 -9.518 -7.029 4.405 1.00 0.00 S ATOM 0 H CYS A 44 -9.331 -9.003 2.857 1.00 0.00 H new ATOM 0 HA CYS A 44 -9.766 -10.694 5.105 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.717 -8.460 6.315 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.296 -8.850 5.366 1.00 0.00 H new ATOM 0 HG CYS A 44 -10.674 -6.988 3.811 1.00 0.00 H new ATOM 674 N TYR A 45 -12.055 -10.116 6.046 1.00 0.00 N ATOM 675 CA TYR A 45 -13.467 -10.047 6.403 1.00 0.00 C ATOM 676 C TYR A 45 -13.649 -10.083 7.917 1.00 0.00 C ATOM 677 O TYR A 45 -13.100 -10.948 8.600 1.00 0.00 O ATOM 678 CB TYR A 45 -14.234 -11.203 5.758 1.00 0.00 C ATOM 679 CG TYR A 45 -14.767 -10.882 4.380 1.00 0.00 C ATOM 680 CD1 TYR A 45 -15.976 -10.216 4.219 1.00 0.00 C ATOM 681 CD2 TYR A 45 -14.062 -11.244 3.239 1.00 0.00 C ATOM 682 CE1 TYR A 45 -16.467 -9.921 2.962 1.00 0.00 C ATOM 683 CE2 TYR A 45 -14.544 -10.952 1.978 1.00 0.00 C ATOM 684 CZ TYR A 45 -15.747 -10.291 1.845 1.00 0.00 C ATOM 685 OH TYR A 45 -16.232 -10.000 0.590 1.00 0.00 O ATOM 0 H TYR A 45 -11.466 -10.573 6.742 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.864 -9.103 6.030 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.578 -12.071 5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -15.066 -11.481 6.405 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.541 -9.924 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -13.120 -11.763 3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -17.409 -9.404 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.982 -11.240 1.102 1.00 0.00 H new ATOM 0 HH TYR A 45 -15.604 -10.328 -0.087 1.00 0.00 H new ATOM 695 N PHE A 46 -14.424 -9.137 8.436 1.00 0.00 N ATOM 696 CA PHE A 46 -14.680 -9.058 9.870 1.00 0.00 C ATOM 697 C PHE A 46 -15.194 -10.392 10.404 1.00 0.00 C ATOM 698 O PHE A 46 -14.639 -10.948 11.352 1.00 0.00 O ATOM 699 CB PHE A 46 -15.693 -7.951 10.169 1.00 0.00 C ATOM 700 CG PHE A 46 -15.634 -7.452 11.585 1.00 0.00 C ATOM 701 CD1 PHE A 46 -14.453 -6.956 12.110 1.00 0.00 C ATOM 702 CD2 PHE A 46 -16.762 -7.481 12.390 1.00 0.00 C ATOM 703 CE1 PHE A 46 -14.396 -6.495 13.413 1.00 0.00 C ATOM 704 CE2 PHE A 46 -16.711 -7.021 13.693 1.00 0.00 C ATOM 705 CZ PHE A 46 -15.526 -6.529 14.205 1.00 0.00 C ATOM 0 H PHE A 46 -14.886 -8.414 7.885 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.740 -8.824 10.370 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -15.518 -7.116 9.490 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -16.697 -8.323 9.965 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.566 -6.929 11.495 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -17.690 -7.867 11.995 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -13.469 -6.109 13.810 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.597 -7.046 14.310 1.00 0.00 H new ATOM 0 HZ PHE A 46 -15.484 -6.172 15.223 1.00 0.00 H new ATOM 715 N ARG A 47 -16.258 -10.898 9.790 1.00 0.00 N ATOM 716 CA ARG A 47 -16.849 -12.165 10.205 1.00 0.00 C ATOM 717 C ARG A 47 -16.404 -13.298 9.285 1.00 0.00 C ATOM 718 O ARG A 47 -16.210 -13.100 8.086 1.00 0.00 O ATOM 719 CB ARG A 47 -18.375 -12.064 10.206 1.00 0.00 C ATOM 720 CG ARG A 47 -18.913 -10.971 11.115 1.00 0.00 C ATOM 721 CD ARG A 47 -19.148 -9.677 10.351 1.00 0.00 C ATOM 722 NE ARG A 47 -20.341 -9.746 9.512 1.00 0.00 N ATOM 723 CZ ARG A 47 -21.576 -9.828 9.994 1.00 0.00 C ATOM 724 NH1 ARG A 47 -21.779 -9.852 11.304 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.611 -9.888 9.166 1.00 0.00 N ATOM 0 H ARG A 47 -16.729 -10.450 9.004 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.506 -12.384 11.216 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.719 -11.880 9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.794 -13.021 10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.847 -11.301 11.570 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.209 -10.792 11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.248 -8.852 11.057 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.279 -9.460 9.729 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.219 -9.730 8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -20.986 -9.807 11.944 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.728 -9.915 11.672 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.459 -9.871 8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.559 -9.951 9.538 1.00 0.00 H new ATOM 739 N LYS A 48 -16.244 -14.488 9.856 1.00 0.00 N ATOM 740 CA LYS A 48 -15.823 -15.654 9.090 1.00 0.00 C ATOM 741 C LYS A 48 -16.901 -16.069 8.093 1.00 0.00 C ATOM 742 O LYS A 48 -16.603 -16.399 6.946 1.00 0.00 O ATOM 743 CB LYS A 48 -15.506 -16.820 10.029 1.00 0.00 C ATOM 744 CG LYS A 48 -15.002 -18.060 9.311 1.00 0.00 C ATOM 745 CD LYS A 48 -13.571 -17.884 8.831 1.00 0.00 C ATOM 746 CE LYS A 48 -12.969 -19.204 8.377 1.00 0.00 C ATOM 747 NZ LYS A 48 -11.729 -19.003 7.578 1.00 0.00 N ATOM 0 H LYS A 48 -16.400 -14.669 10.848 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.923 -15.387 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.756 -16.499 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.403 -17.076 10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.059 -18.918 9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -15.648 -18.277 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.548 -17.170 8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.966 -17.464 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.744 -19.819 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.700 -19.751 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.285 -19.924 7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.968 -18.542 6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.067 -18.403 8.110 1.00 0.00 H new ATOM 761 N GLU A 49 -18.153 -16.047 8.540 1.00 0.00 N ATOM 762 CA GLU A 49 -19.274 -16.421 7.685 1.00 0.00 C ATOM 763 C GLU A 49 -19.118 -15.822 6.290 1.00 0.00 C ATOM 764 O GLU A 49 -18.943 -16.544 5.310 1.00 0.00 O ATOM 765 CB GLU A 49 -20.593 -15.957 8.306 1.00 0.00 C ATOM 766 CG GLU A 49 -20.926 -16.651 9.617 1.00 0.00 C ATOM 767 CD GLU A 49 -22.165 -16.082 10.280 1.00 0.00 C ATOM 768 OE1 GLU A 49 -23.081 -15.646 9.552 1.00 0.00 O ATOM 769 OE2 GLU A 49 -22.219 -16.073 11.528 1.00 0.00 O ATOM 0 H GLU A 49 -18.416 -15.775 9.487 1.00 0.00 H new ATOM 0 HA GLU A 49 -19.284 -17.507 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -20.546 -14.881 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -21.401 -16.133 7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -21.073 -17.715 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -20.080 -16.559 10.298 1.00 0.00 H new ATOM 776 N ASN A 50 -19.184 -14.497 6.211 1.00 0.00 N ATOM 777 CA ASN A 50 -19.051 -13.800 4.936 1.00 0.00 C ATOM 778 C ASN A 50 -17.860 -14.334 4.146 1.00 0.00 C ATOM 779 O ASN A 50 -17.977 -14.642 2.959 1.00 0.00 O ATOM 780 CB ASN A 50 -18.892 -12.296 5.168 1.00 0.00 C ATOM 781 CG ASN A 50 -20.167 -11.651 5.674 1.00 0.00 C ATOM 782 OD1 ASN A 50 -20.338 -11.632 6.991 1.00 0.00 O flip ATOM 783 ND2 ASN A 50 -20.988 -11.174 4.891 1.00 0.00 N flip ATOM 0 H ASN A 50 -19.329 -13.885 7.014 1.00 0.00 H new ATOM 0 HA ASN A 50 -19.957 -13.977 4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -18.091 -12.125 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -18.591 -11.817 4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -20.816 -11.211 3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -21.841 -10.742 5.247 1.00 0.00 H new ATOM 790 N LEU A 51 -16.716 -14.442 4.812 1.00 0.00 N ATOM 791 CA LEU A 51 -15.503 -14.939 4.173 1.00 0.00 C ATOM 792 C LEU A 51 -15.736 -16.316 3.559 1.00 0.00 C ATOM 793 O LEU A 51 -15.414 -16.551 2.394 1.00 0.00 O ATOM 794 CB LEU A 51 -14.360 -15.007 5.187 1.00 0.00 C ATOM 795 CG LEU A 51 -13.069 -15.666 4.700 1.00 0.00 C ATOM 796 CD1 LEU A 51 -12.445 -14.853 3.576 1.00 0.00 C ATOM 797 CD2 LEU A 51 -12.087 -15.830 5.850 1.00 0.00 C ATOM 0 H LEU A 51 -16.603 -14.192 5.794 1.00 0.00 H new ATOM 0 HA LEU A 51 -15.232 -14.247 3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -14.127 -13.992 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.712 -15.548 6.065 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.313 -16.655 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.527 -15.338 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.144 -14.788 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.215 -13.850 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.174 -16.301 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.849 -14.852 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.533 -16.455 6.623 1.00 0.00 H new ATOM 809 N LEU A 52 -16.300 -17.223 4.350 1.00 0.00 N ATOM 810 CA LEU A 52 -16.579 -18.577 3.884 1.00 0.00 C ATOM 811 C LEU A 52 -17.353 -18.552 2.570 1.00 0.00 C ATOM 812 O LEU A 52 -17.025 -19.277 1.632 1.00 0.00 O ATOM 813 CB LEU A 52 -17.371 -19.348 4.941 1.00 0.00 C ATOM 814 CG LEU A 52 -16.571 -19.855 6.141 1.00 0.00 C ATOM 815 CD1 LEU A 52 -17.505 -20.350 7.235 1.00 0.00 C ATOM 816 CD2 LEU A 52 -15.612 -20.958 5.716 1.00 0.00 C ATOM 0 H LEU A 52 -16.573 -17.045 5.317 1.00 0.00 H new ATOM 0 HA LEU A 52 -15.627 -19.080 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -18.170 -18.704 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -17.846 -20.203 4.459 1.00 0.00 H new ATOM 0 HG LEU A 52 -15.986 -19.026 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -16.918 -20.707 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -18.150 -19.533 7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -18.118 -21.165 6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -15.051 -21.307 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -16.177 -21.788 5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -14.920 -20.570 4.968 1.00 0.00 H new ATOM 828 N GLU A 53 -18.381 -17.710 2.510 1.00 0.00 N ATOM 829 CA GLU A 53 -19.200 -17.590 1.310 1.00 0.00 C ATOM 830 C GLU A 53 -18.349 -17.197 0.107 1.00 0.00 C ATOM 831 O GLU A 53 -18.203 -17.966 -0.843 1.00 0.00 O ATOM 832 CB GLU A 53 -20.309 -16.558 1.524 1.00 0.00 C ATOM 833 CG GLU A 53 -21.208 -16.866 2.710 1.00 0.00 C ATOM 834 CD GLU A 53 -22.245 -15.787 2.952 1.00 0.00 C ATOM 835 OE1 GLU A 53 -21.877 -14.718 3.482 1.00 0.00 O ATOM 836 OE2 GLU A 53 -23.425 -16.012 2.611 1.00 0.00 O ATOM 0 H GLU A 53 -18.666 -17.102 3.278 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.652 -18.562 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -19.857 -15.576 1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -20.919 -16.500 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.712 -17.818 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -20.596 -16.983 3.604 1.00 0.00 H new ATOM 843 N HIS A 54 -17.789 -15.992 0.154 1.00 0.00 N ATOM 844 CA HIS A 54 -16.951 -15.495 -0.931 1.00 0.00 C ATOM 845 C HIS A 54 -16.135 -16.626 -1.550 1.00 0.00 C ATOM 846 O HIS A 54 -16.223 -16.882 -2.750 1.00 0.00 O ATOM 847 CB HIS A 54 -16.017 -14.397 -0.422 1.00 0.00 C ATOM 848 CG HIS A 54 -14.701 -14.352 -1.134 1.00 0.00 C ATOM 849 ND1 HIS A 54 -13.566 -15.064 -0.942 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -14.440 -13.494 -2.182 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -12.650 -14.630 -1.869 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -13.203 -13.682 -2.605 1.00 0.00 N flip ATOM 0 H HIS A 54 -17.901 -15.342 0.932 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.604 -15.079 -1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -16.512 -13.432 -0.530 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -15.840 -14.547 0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.138 -12.780 -2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.642 -15.003 -1.978 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.751 -13.181 -3.370 1.00 0.00 H new ATOM 860 N GLU A 55 -15.342 -17.299 -0.722 1.00 0.00 N ATOM 861 CA GLU A 55 -14.509 -18.401 -1.189 1.00 0.00 C ATOM 862 C GLU A 55 -15.208 -19.176 -2.303 1.00 0.00 C ATOM 863 O GLU A 55 -14.595 -19.519 -3.313 1.00 0.00 O ATOM 864 CB GLU A 55 -14.174 -19.343 -0.030 1.00 0.00 C ATOM 865 CG GLU A 55 -13.024 -18.856 0.836 1.00 0.00 C ATOM 866 CD GLU A 55 -11.676 -19.345 0.344 1.00 0.00 C ATOM 867 OE1 GLU A 55 -11.471 -19.379 -0.888 1.00 0.00 O ATOM 868 OE2 GLU A 55 -10.826 -19.694 1.189 1.00 0.00 O ATOM 0 H GLU A 55 -15.259 -17.100 0.275 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.584 -17.982 -1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.060 -19.468 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.925 -20.325 -0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.026 -17.766 0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.177 -19.194 1.861 1.00 0.00 H new ATOM 875 N ALA A 56 -16.494 -19.449 -2.109 1.00 0.00 N ATOM 876 CA ALA A 56 -17.276 -20.181 -3.097 1.00 0.00 C ATOM 877 C ALA A 56 -17.929 -19.231 -4.095 1.00 0.00 C ATOM 878 O ALA A 56 -17.961 -19.503 -5.295 1.00 0.00 O ATOM 879 CB ALA A 56 -18.333 -21.032 -2.407 1.00 0.00 C ATOM 0 H ALA A 56 -17.016 -19.174 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.600 -20.835 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -18.910 -21.574 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.848 -21.743 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.999 -20.389 -1.831 1.00 0.00 H new ATOM 885 N ARG A 57 -18.447 -18.116 -3.592 1.00 0.00 N ATOM 886 CA ARG A 57 -19.101 -17.126 -4.440 1.00 0.00 C ATOM 887 C ARG A 57 -18.180 -16.692 -5.577 1.00 0.00 C ATOM 888 O ARG A 57 -18.500 -16.874 -6.751 1.00 0.00 O ATOM 889 CB ARG A 57 -19.516 -15.908 -3.612 1.00 0.00 C ATOM 890 CG ARG A 57 -20.743 -15.194 -4.153 1.00 0.00 C ATOM 891 CD ARG A 57 -22.006 -16.013 -3.936 1.00 0.00 C ATOM 892 NE ARG A 57 -23.208 -15.276 -4.316 1.00 0.00 N ATOM 893 CZ ARG A 57 -23.986 -14.641 -3.447 1.00 0.00 C ATOM 894 NH1 ARG A 57 -23.688 -14.651 -2.155 1.00 0.00 N ATOM 895 NH2 ARG A 57 -25.064 -13.992 -3.869 1.00 0.00 N ATOM 0 H ARG A 57 -18.427 -17.875 -2.601 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.991 -17.584 -4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -19.713 -16.225 -2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.684 -15.205 -3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -20.847 -14.226 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -20.612 -15.000 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -21.946 -16.933 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -22.075 -16.303 -2.887 1.00 0.00 H new ATOM 0 HE ARG A 57 -23.464 -15.247 -5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -22.860 -15.147 -1.827 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -24.287 -14.162 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.296 -13.980 -4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.660 -13.505 -3.200 1.00 0.00 H new ATOM 909 N ASN A 58 -17.037 -16.117 -5.219 1.00 0.00 N ATOM 910 CA ASN A 58 -16.070 -15.656 -6.209 1.00 0.00 C ATOM 911 C ASN A 58 -14.681 -15.521 -5.592 1.00 0.00 C ATOM 912 O ASN A 58 -14.544 -15.284 -4.391 1.00 0.00 O ATOM 913 CB ASN A 58 -16.512 -14.314 -6.797 1.00 0.00 C ATOM 914 CG ASN A 58 -15.461 -13.707 -7.706 1.00 0.00 C ATOM 915 OD1 ASN A 58 -14.929 -14.376 -8.592 1.00 0.00 O ATOM 916 ND2 ASN A 58 -15.155 -12.433 -7.489 1.00 0.00 N ATOM 0 H ASN A 58 -16.757 -15.959 -4.251 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.023 -16.397 -7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.437 -14.453 -7.357 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.732 -13.620 -5.986 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.454 -11.971 -8.068 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.621 -11.916 -6.743 1.00 0.00 H new ATOM 1031 N VAL A 66 0.674 -12.084 -16.077 1.00 0.00 N ATOM 1032 CA VAL A 66 1.830 -11.558 -15.361 1.00 0.00 C ATOM 1033 C VAL A 66 2.734 -10.756 -16.290 1.00 0.00 C ATOM 1034 O VAL A 66 2.626 -10.850 -17.513 1.00 0.00 O ATOM 1035 CB VAL A 66 2.652 -12.690 -14.714 1.00 0.00 C ATOM 1036 CG1 VAL A 66 1.928 -13.248 -13.498 1.00 0.00 C ATOM 1037 CG2 VAL A 66 2.935 -13.788 -15.727 1.00 0.00 C ATOM 0 HA VAL A 66 1.447 -10.904 -14.578 1.00 0.00 H new ATOM 0 HB VAL A 66 3.606 -12.279 -14.382 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.523 -14.046 -13.055 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.782 -12.454 -12.765 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.959 -13.644 -13.802 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.516 -14.579 -15.253 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.993 -14.198 -16.092 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.499 -13.375 -16.563 1.00 0.00 H new ATOM 1047 N PHE A 67 3.627 -9.967 -15.701 1.00 0.00 N ATOM 1048 CA PHE A 67 4.551 -9.146 -16.476 1.00 0.00 C ATOM 1049 C PHE A 67 5.980 -9.665 -16.345 1.00 0.00 C ATOM 1050 O PHE A 67 6.327 -10.323 -15.364 1.00 0.00 O ATOM 1051 CB PHE A 67 4.481 -7.689 -16.016 1.00 0.00 C ATOM 1052 CG PHE A 67 3.151 -7.041 -16.276 1.00 0.00 C ATOM 1053 CD1 PHE A 67 2.017 -7.457 -15.597 1.00 0.00 C ATOM 1054 CD2 PHE A 67 3.034 -6.016 -17.202 1.00 0.00 C ATOM 1055 CE1 PHE A 67 0.792 -6.863 -15.834 1.00 0.00 C ATOM 1056 CE2 PHE A 67 1.811 -5.418 -17.443 1.00 0.00 C ATOM 1057 CZ PHE A 67 0.689 -5.843 -16.759 1.00 0.00 C ATOM 0 H PHE A 67 3.730 -9.879 -14.690 1.00 0.00 H new ATOM 0 HA PHE A 67 4.257 -9.203 -17.524 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.696 -7.643 -14.948 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.259 -7.119 -16.523 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.091 -8.255 -14.874 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.908 -5.681 -17.741 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.084 -7.196 -15.297 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.733 -4.619 -18.166 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.268 -5.378 -16.947 1.00 0.00 H new ATOM 1067 N THR A 68 6.806 -9.363 -17.342 1.00 0.00 N ATOM 1068 CA THR A 68 8.197 -9.799 -17.340 1.00 0.00 C ATOM 1069 C THR A 68 9.146 -8.609 -17.419 1.00 0.00 C ATOM 1070 O THR A 68 9.027 -7.765 -18.307 1.00 0.00 O ATOM 1071 CB THR A 68 8.488 -10.752 -18.515 1.00 0.00 C ATOM 1072 OG1 THR A 68 7.630 -11.897 -18.441 1.00 0.00 O ATOM 1073 CG2 THR A 68 9.942 -11.200 -18.501 1.00 0.00 C ATOM 0 H THR A 68 6.536 -8.818 -18.161 1.00 0.00 H new ATOM 0 HA THR A 68 8.361 -10.329 -16.402 1.00 0.00 H new ATOM 0 HB THR A 68 8.298 -10.216 -19.445 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.820 -12.497 -19.192 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.124 -11.872 -19.340 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.592 -10.329 -18.586 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.153 -11.720 -17.567 1.00 0.00 H new ATOM 1081 N CYS A 69 10.089 -8.548 -16.485 1.00 0.00 N ATOM 1082 CA CYS A 69 11.060 -7.462 -16.448 1.00 0.00 C ATOM 1083 C CYS A 69 11.856 -7.399 -17.748 1.00 0.00 C ATOM 1084 O CYS A 69 11.765 -8.294 -18.588 1.00 0.00 O ATOM 1085 CB CYS A 69 12.012 -7.640 -15.263 1.00 0.00 C ATOM 1086 SG CYS A 69 12.841 -6.106 -14.738 1.00 0.00 S ATOM 0 H CYS A 69 10.201 -9.239 -15.743 1.00 0.00 H new ATOM 0 HA CYS A 69 10.515 -6.526 -16.330 1.00 0.00 H new ATOM 0 HB2 CYS A 69 11.453 -8.045 -14.419 1.00 0.00 H new ATOM 0 HB3 CYS A 69 12.770 -8.378 -15.527 1.00 0.00 H new ATOM 0 HG CYS A 69 14.120 -6.316 -14.638 1.00 0.00 H new ATOM 1091 N SER A 70 12.637 -6.335 -17.907 1.00 0.00 N ATOM 1092 CA SER A 70 13.446 -6.153 -19.106 1.00 0.00 C ATOM 1093 C SER A 70 14.933 -6.249 -18.778 1.00 0.00 C ATOM 1094 O SER A 70 15.786 -6.069 -19.647 1.00 0.00 O ATOM 1095 CB SER A 70 13.142 -4.800 -19.752 1.00 0.00 C ATOM 1096 OG SER A 70 13.917 -4.607 -20.923 1.00 0.00 O ATOM 0 H SER A 70 12.726 -5.586 -17.220 1.00 0.00 H new ATOM 0 HA SER A 70 13.194 -6.948 -19.808 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.082 -4.742 -20.000 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.347 -4.000 -19.041 1.00 0.00 H new ATOM 0 HG SER A 70 14.777 -5.067 -20.826 1.00 0.00 H new ATOM 1102 N VAL A 71 15.237 -6.535 -17.516 1.00 0.00 N ATOM 1103 CA VAL A 71 16.620 -6.657 -17.071 1.00 0.00 C ATOM 1104 C VAL A 71 16.887 -8.036 -16.478 1.00 0.00 C ATOM 1105 O VAL A 71 17.869 -8.693 -16.824 1.00 0.00 O ATOM 1106 CB VAL A 71 16.969 -5.584 -16.022 1.00 0.00 C ATOM 1107 CG1 VAL A 71 18.415 -5.727 -15.572 1.00 0.00 C ATOM 1108 CG2 VAL A 71 16.710 -4.192 -16.579 1.00 0.00 C ATOM 0 H VAL A 71 14.544 -6.687 -16.783 1.00 0.00 H new ATOM 0 HA VAL A 71 17.249 -6.514 -17.950 1.00 0.00 H new ATOM 0 HB VAL A 71 16.328 -5.728 -15.152 1.00 0.00 H new ATOM 0 HG11 VAL A 71 18.643 -4.961 -14.831 1.00 0.00 H new ATOM 0 HG12 VAL A 71 18.563 -6.713 -15.132 1.00 0.00 H new ATOM 0 HG13 VAL A 71 19.076 -5.610 -16.430 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.962 -3.446 -15.825 1.00 0.00 H new ATOM 0 HG22 VAL A 71 17.325 -4.034 -17.465 1.00 0.00 H new ATOM 0 HG23 VAL A 71 15.658 -4.097 -16.846 1.00 0.00 H new ATOM 1118 N CYS A 72 16.006 -8.470 -15.583 1.00 0.00 N ATOM 1119 CA CYS A 72 16.145 -9.772 -14.941 1.00 0.00 C ATOM 1120 C CYS A 72 15.022 -10.712 -15.368 1.00 0.00 C ATOM 1121 O CYS A 72 15.005 -11.885 -14.995 1.00 0.00 O ATOM 1122 CB CYS A 72 16.144 -9.616 -13.419 1.00 0.00 C ATOM 1123 SG CYS A 72 14.611 -8.897 -12.747 1.00 0.00 S ATOM 0 H CYS A 72 15.188 -7.939 -15.286 1.00 0.00 H new ATOM 0 HA CYS A 72 17.095 -10.204 -15.255 1.00 0.00 H new ATOM 0 HB2 CYS A 72 16.304 -10.593 -12.964 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.986 -8.987 -13.128 1.00 0.00 H new ATOM 0 HG CYS A 72 14.160 -7.994 -13.566 1.00 0.00 H new ATOM 1128 N GLN A 73 14.085 -10.188 -16.152 1.00 0.00 N ATOM 1129 CA GLN A 73 12.957 -10.980 -16.629 1.00 0.00 C ATOM 1130 C GLN A 73 12.129 -11.506 -15.462 1.00 0.00 C ATOM 1131 O GLN A 73 11.621 -12.626 -15.504 1.00 0.00 O ATOM 1132 CB GLN A 73 13.453 -12.148 -17.484 1.00 0.00 C ATOM 1133 CG GLN A 73 14.474 -11.742 -18.535 1.00 0.00 C ATOM 1134 CD GLN A 73 14.078 -10.479 -19.275 1.00 0.00 C ATOM 1135 OE1 GLN A 73 14.866 -9.423 -19.108 1.00 0.00 O flip ATOM 1136 NE2 GLN A 73 13.076 -10.452 -19.989 1.00 0.00 N flip ATOM 0 H GLN A 73 14.085 -9.219 -16.470 1.00 0.00 H new ATOM 0 HA GLN A 73 12.324 -10.335 -17.238 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.895 -12.902 -16.833 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.600 -12.613 -17.978 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.442 -11.590 -18.057 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.596 -12.555 -19.251 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.498 -11.287 -20.089 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.823 -9.595 -20.481 1.00 0.00 H new ATOM 1145 N GLU A 74 11.996 -10.689 -14.421 1.00 0.00 N ATOM 1146 CA GLU A 74 11.229 -11.073 -13.242 1.00 0.00 C ATOM 1147 C GLU A 74 9.782 -11.384 -13.612 1.00 0.00 C ATOM 1148 O GLU A 74 9.401 -11.324 -14.781 1.00 0.00 O ATOM 1149 CB GLU A 74 11.272 -9.960 -12.193 1.00 0.00 C ATOM 1150 CG GLU A 74 11.302 -10.471 -10.763 1.00 0.00 C ATOM 1151 CD GLU A 74 12.185 -11.693 -10.599 1.00 0.00 C ATOM 1152 OE1 GLU A 74 13.232 -11.763 -11.277 1.00 0.00 O ATOM 1153 OE2 GLU A 74 11.830 -12.579 -9.793 1.00 0.00 O ATOM 0 H GLU A 74 12.409 -9.758 -14.371 1.00 0.00 H new ATOM 0 HA GLU A 74 11.680 -11.973 -12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.153 -9.342 -12.367 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.401 -9.317 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.659 -9.678 -10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.288 -10.715 -10.447 1.00 0.00 H new ATOM 1160 N THR A 75 8.978 -11.716 -12.606 1.00 0.00 N ATOM 1161 CA THR A 75 7.574 -12.037 -12.823 1.00 0.00 C ATOM 1162 C THR A 75 6.674 -11.222 -11.902 1.00 0.00 C ATOM 1163 O THR A 75 6.820 -11.263 -10.680 1.00 0.00 O ATOM 1164 CB THR A 75 7.299 -13.536 -12.597 1.00 0.00 C ATOM 1165 OG1 THR A 75 7.884 -13.960 -11.361 1.00 0.00 O ATOM 1166 CG2 THR A 75 7.860 -14.367 -13.741 1.00 0.00 C ATOM 0 H THR A 75 9.277 -11.769 -11.632 1.00 0.00 H new ATOM 0 HA THR A 75 7.349 -11.786 -13.860 1.00 0.00 H new ATOM 0 HB THR A 75 6.220 -13.683 -12.557 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.865 -13.220 -10.719 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.654 -15.422 -13.560 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.392 -14.061 -14.677 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.937 -14.214 -13.808 1.00 0.00 H new ATOM 1174 N PHE A 76 5.742 -10.483 -12.494 1.00 0.00 N ATOM 1175 CA PHE A 76 4.818 -9.658 -11.725 1.00 0.00 C ATOM 1176 C PHE A 76 3.371 -9.979 -12.088 1.00 0.00 C ATOM 1177 O PHE A 76 3.098 -10.566 -13.135 1.00 0.00 O ATOM 1178 CB PHE A 76 5.099 -8.174 -11.972 1.00 0.00 C ATOM 1179 CG PHE A 76 6.556 -7.818 -11.884 1.00 0.00 C ATOM 1180 CD1 PHE A 76 7.411 -8.078 -12.943 1.00 0.00 C ATOM 1181 CD2 PHE A 76 7.070 -7.223 -10.744 1.00 0.00 C ATOM 1182 CE1 PHE A 76 8.752 -7.751 -12.866 1.00 0.00 C ATOM 1183 CE2 PHE A 76 8.409 -6.893 -10.661 1.00 0.00 C ATOM 1184 CZ PHE A 76 9.252 -7.159 -11.723 1.00 0.00 C ATOM 0 H PHE A 76 5.607 -10.439 -13.504 1.00 0.00 H new ATOM 0 HA PHE A 76 4.967 -9.879 -10.668 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.725 -7.901 -12.959 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.544 -7.581 -11.245 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.025 -8.542 -13.839 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.416 -7.014 -9.910 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.408 -7.958 -13.699 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.796 -6.428 -9.767 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.300 -6.904 -11.659 1.00 0.00 H new ATOM 1194 N ARG A 77 2.448 -9.591 -11.214 1.00 0.00 N ATOM 1195 CA ARG A 77 1.029 -9.839 -11.440 1.00 0.00 C ATOM 1196 C ARG A 77 0.357 -8.621 -12.067 1.00 0.00 C ATOM 1197 O ARG A 77 -0.588 -8.753 -12.845 1.00 0.00 O ATOM 1198 CB ARG A 77 0.336 -10.197 -10.124 1.00 0.00 C ATOM 1199 CG ARG A 77 0.399 -9.092 -9.083 1.00 0.00 C ATOM 1200 CD ARG A 77 1.578 -9.281 -8.141 1.00 0.00 C ATOM 1201 NE ARG A 77 1.218 -10.064 -6.963 1.00 0.00 N ATOM 1202 CZ ARG A 77 2.105 -10.535 -6.094 1.00 0.00 C ATOM 1203 NH1 ARG A 77 3.399 -10.303 -6.270 1.00 0.00 N ATOM 1204 NH2 ARG A 77 1.699 -11.239 -5.045 1.00 0.00 N ATOM 0 H ARG A 77 2.657 -9.104 -10.343 1.00 0.00 H new ATOM 0 HA ARG A 77 0.938 -10.678 -12.130 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.708 -10.435 -10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.795 -11.097 -9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.481 -8.126 -9.581 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.528 -9.078 -8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.390 -9.778 -8.672 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.951 -8.306 -7.828 1.00 0.00 H new ATOM 0 HE ARG A 77 0.231 -10.260 -6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.715 -9.762 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.078 -10.666 -5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.705 -11.419 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.381 -11.600 -4.378 1.00 0.00 H new ATOM 1218 N ARG A 78 0.852 -7.436 -11.723 1.00 0.00 N ATOM 1219 CA ARG A 78 0.298 -6.195 -12.250 1.00 0.00 C ATOM 1220 C ARG A 78 1.377 -5.372 -12.948 1.00 0.00 C ATOM 1221 O ARG A 78 2.569 -5.551 -12.695 1.00 0.00 O ATOM 1222 CB ARG A 78 -0.335 -5.375 -11.124 1.00 0.00 C ATOM 1223 CG ARG A 78 -1.423 -6.119 -10.367 1.00 0.00 C ATOM 1224 CD ARG A 78 -1.664 -5.508 -8.995 1.00 0.00 C ATOM 1225 NE ARG A 78 -2.223 -6.476 -8.055 1.00 0.00 N ATOM 1226 CZ ARG A 78 -3.508 -6.810 -8.021 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -4.363 -6.257 -8.870 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -3.941 -7.699 -7.136 1.00 0.00 N ATOM 0 H ARG A 78 1.635 -7.310 -11.082 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.470 -6.450 -12.980 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.444 -5.075 -10.423 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.756 -4.461 -11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.348 -6.098 -10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.140 -7.166 -10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.725 -5.121 -8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.343 -4.661 -9.090 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.592 -6.920 -7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.035 -5.573 -9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.349 -6.516 -8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.287 -8.127 -6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.928 -7.955 -7.111 1.00 0.00 H new ATOM 1242 N ARG A 79 0.951 -4.471 -13.827 1.00 0.00 N ATOM 1243 CA ARG A 79 1.880 -3.622 -14.562 1.00 0.00 C ATOM 1244 C ARG A 79 2.611 -2.671 -13.619 1.00 0.00 C ATOM 1245 O ARG A 79 3.834 -2.725 -13.493 1.00 0.00 O ATOM 1246 CB ARG A 79 1.135 -2.823 -15.633 1.00 0.00 C ATOM 1247 CG ARG A 79 1.971 -1.718 -16.260 1.00 0.00 C ATOM 1248 CD ARG A 79 1.544 -1.443 -17.693 1.00 0.00 C ATOM 1249 NE ARG A 79 0.458 -0.469 -17.764 1.00 0.00 N ATOM 1250 CZ ARG A 79 -0.826 -0.804 -17.824 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -1.182 -2.081 -17.821 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -1.757 0.140 -17.885 1.00 0.00 N ATOM 0 H ARG A 79 -0.032 -4.310 -14.047 1.00 0.00 H new ATOM 0 HA ARG A 79 2.617 -4.265 -15.044 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.802 -3.504 -16.416 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.241 -2.384 -15.191 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.875 -0.807 -15.669 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.024 -2.001 -16.240 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.398 -1.075 -18.261 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.227 -2.375 -18.162 1.00 0.00 H new ATOM 0 HE ARG A 79 0.699 0.522 -17.768 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.469 -2.809 -17.773 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.169 -2.335 -17.867 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.487 1.124 -17.886 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.743 -0.118 -17.931 1.00 0.00 H new ATOM 1266 N MET A 80 1.853 -1.801 -12.959 1.00 0.00 N ATOM 1267 CA MET A 80 2.429 -0.839 -12.027 1.00 0.00 C ATOM 1268 C MET A 80 3.561 -1.472 -11.224 1.00 0.00 C ATOM 1269 O MET A 80 4.638 -0.892 -11.091 1.00 0.00 O ATOM 1270 CB MET A 80 1.352 -0.306 -11.081 1.00 0.00 C ATOM 1271 CG MET A 80 1.866 0.736 -10.101 1.00 0.00 C ATOM 1272 SD MET A 80 1.845 2.404 -10.787 1.00 0.00 S ATOM 1273 CE MET A 80 3.558 2.592 -11.273 1.00 0.00 C ATOM 0 H MET A 80 0.839 -1.743 -13.052 1.00 0.00 H new ATOM 0 HA MET A 80 2.837 -0.010 -12.605 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.545 0.129 -11.671 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.926 -1.139 -10.522 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.257 0.711 -9.197 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.884 0.481 -9.806 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.930 3.557 -10.928 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.152 1.794 -10.828 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.636 2.540 -12.359 1.00 0.00 H new ATOM 1283 N GLU A 81 3.308 -2.662 -10.690 1.00 0.00 N ATOM 1284 CA GLU A 81 4.307 -3.371 -9.898 1.00 0.00 C ATOM 1285 C GLU A 81 5.664 -3.359 -10.597 1.00 0.00 C ATOM 1286 O GLU A 81 6.681 -3.010 -9.996 1.00 0.00 O ATOM 1287 CB GLU A 81 3.862 -4.814 -9.649 1.00 0.00 C ATOM 1288 CG GLU A 81 2.739 -4.938 -8.634 1.00 0.00 C ATOM 1289 CD GLU A 81 3.164 -4.522 -7.239 1.00 0.00 C ATOM 1290 OE1 GLU A 81 4.375 -4.592 -6.942 1.00 0.00 O ATOM 1291 OE2 GLU A 81 2.285 -4.126 -6.445 1.00 0.00 O ATOM 0 H GLU A 81 2.421 -3.156 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 81 4.406 -2.858 -8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.538 -5.253 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.718 -5.395 -9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.898 -4.322 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.388 -5.970 -8.610 1.00 0.00 H new ATOM 1298 N LEU A 82 5.671 -3.744 -11.868 1.00 0.00 N ATOM 1299 CA LEU A 82 6.902 -3.778 -12.650 1.00 0.00 C ATOM 1300 C LEU A 82 7.589 -2.416 -12.644 1.00 0.00 C ATOM 1301 O LEU A 82 8.816 -2.329 -12.590 1.00 0.00 O ATOM 1302 CB LEU A 82 6.604 -4.206 -14.088 1.00 0.00 C ATOM 1303 CG LEU A 82 7.763 -4.082 -15.079 1.00 0.00 C ATOM 1304 CD1 LEU A 82 8.979 -4.844 -14.577 1.00 0.00 C ATOM 1305 CD2 LEU A 82 7.345 -4.585 -16.453 1.00 0.00 C ATOM 0 H LEU A 82 4.838 -4.037 -12.379 1.00 0.00 H new ATOM 0 HA LEU A 82 7.574 -4.505 -12.193 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.272 -5.244 -14.076 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.770 -3.609 -14.458 1.00 0.00 H new ATOM 0 HG LEU A 82 8.031 -3.029 -15.166 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.793 -4.744 -15.295 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.292 -4.437 -13.615 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.725 -5.898 -14.460 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.181 -4.489 -17.145 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.050 -5.632 -16.383 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.504 -3.994 -16.816 1.00 0.00 H new ATOM 1317 N ARG A 83 6.790 -1.356 -12.699 1.00 0.00 N ATOM 1318 CA ARG A 83 7.321 0.002 -12.699 1.00 0.00 C ATOM 1319 C ARG A 83 8.076 0.290 -11.405 1.00 0.00 C ATOM 1320 O ARG A 83 9.155 0.885 -11.422 1.00 0.00 O ATOM 1321 CB ARG A 83 6.189 1.015 -12.878 1.00 0.00 C ATOM 1322 CG ARG A 83 5.305 0.735 -14.083 1.00 0.00 C ATOM 1323 CD ARG A 83 6.063 0.930 -15.386 1.00 0.00 C ATOM 1324 NE ARG A 83 5.187 1.370 -16.468 1.00 0.00 N ATOM 1325 CZ ARG A 83 5.579 1.481 -17.733 1.00 0.00 C ATOM 1326 NH1 ARG A 83 6.826 1.185 -18.072 1.00 0.00 N ATOM 1327 NH2 ARG A 83 4.723 1.889 -18.661 1.00 0.00 N ATOM 0 H ARG A 83 5.772 -1.411 -12.744 1.00 0.00 H new ATOM 0 HA ARG A 83 8.016 0.094 -13.533 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.572 1.020 -11.979 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.618 2.012 -12.977 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.928 -0.286 -14.030 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.439 1.396 -14.062 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.854 1.665 -15.239 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.546 -0.006 -15.668 1.00 0.00 H new ATOM 0 HE ARG A 83 4.221 1.605 -16.240 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.487 0.871 -17.361 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.124 1.271 -19.044 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.763 2.118 -18.404 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.025 1.974 -19.632 1.00 0.00 H new ATOM 1341 N LEU A 84 7.502 -0.134 -10.284 1.00 0.00 N ATOM 1342 CA LEU A 84 8.121 0.079 -8.980 1.00 0.00 C ATOM 1343 C LEU A 84 9.336 -0.825 -8.800 1.00 0.00 C ATOM 1344 O LEU A 84 10.136 -0.632 -7.884 1.00 0.00 O ATOM 1345 CB LEU A 84 7.107 -0.181 -7.865 1.00 0.00 C ATOM 1346 CG LEU A 84 5.669 0.252 -8.150 1.00 0.00 C ATOM 1347 CD1 LEU A 84 4.758 -0.125 -6.992 1.00 0.00 C ATOM 1348 CD2 LEU A 84 5.605 1.749 -8.416 1.00 0.00 C ATOM 0 H LEU A 84 6.610 -0.627 -10.252 1.00 0.00 H new ATOM 0 HA LEU A 84 8.453 1.116 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.107 -1.248 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.448 0.331 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 84 5.323 -0.270 -9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.739 0.191 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.780 -1.205 -6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.102 0.369 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.574 2.039 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.971 2.290 -7.543 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.225 1.992 -9.279 1.00 0.00 H new ATOM 1360 N HIS A 85 9.469 -1.812 -9.680 1.00 0.00 N ATOM 1361 CA HIS A 85 10.589 -2.745 -9.620 1.00 0.00 C ATOM 1362 C HIS A 85 11.758 -2.246 -10.463 1.00 0.00 C ATOM 1363 O HIS A 85 12.912 -2.308 -10.040 1.00 0.00 O ATOM 1364 CB HIS A 85 10.153 -4.130 -10.100 1.00 0.00 C ATOM 1365 CG HIS A 85 11.298 -5.049 -10.394 1.00 0.00 C ATOM 1366 ND1 HIS A 85 11.841 -5.899 -9.454 1.00 0.00 N ATOM 1367 CD2 HIS A 85 12.001 -5.251 -11.533 1.00 0.00 C ATOM 1368 CE1 HIS A 85 12.831 -6.582 -10.001 1.00 0.00 C ATOM 1369 NE2 HIS A 85 12.948 -6.208 -11.262 1.00 0.00 N ATOM 0 H HIS A 85 8.815 -1.987 -10.443 1.00 0.00 H new ATOM 0 HA HIS A 85 10.916 -2.815 -8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.518 -4.586 -9.340 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.546 -4.020 -10.999 1.00 0.00 H new ATOM 0 HD2 HIS A 85 11.846 -4.753 -12.478 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.441 -7.320 -9.502 1.00 0.00 H new ATOM 0 HE2 HIS A 85 13.631 -6.571 -11.927 1.00 0.00 H new ATOM 1377 N MET A 86 11.450 -1.752 -11.659 1.00 0.00 N ATOM 1378 CA MET A 86 12.476 -1.242 -12.561 1.00 0.00 C ATOM 1379 C MET A 86 13.346 -0.202 -11.863 1.00 0.00 C ATOM 1380 O MET A 86 14.546 -0.108 -12.121 1.00 0.00 O ATOM 1381 CB MET A 86 11.832 -0.632 -13.807 1.00 0.00 C ATOM 1382 CG MET A 86 11.023 -1.627 -14.623 1.00 0.00 C ATOM 1383 SD MET A 86 11.885 -2.171 -16.110 1.00 0.00 S ATOM 1384 CE MET A 86 13.256 -3.074 -15.395 1.00 0.00 C ATOM 0 H MET A 86 10.500 -1.694 -12.025 1.00 0.00 H new ATOM 0 HA MET A 86 13.109 -2.077 -12.860 1.00 0.00 H new ATOM 0 HB2 MET A 86 11.183 0.190 -13.505 1.00 0.00 H new ATOM 0 HB3 MET A 86 12.612 -0.207 -14.438 1.00 0.00 H new ATOM 0 HG2 MET A 86 10.791 -2.494 -14.005 1.00 0.00 H new ATOM 0 HG3 MET A 86 10.073 -1.173 -14.904 1.00 0.00 H new ATOM 0 HE1 MET A 86 13.545 -3.886 -16.063 1.00 0.00 H new ATOM 0 HE2 MET A 86 14.102 -2.401 -15.256 1.00 0.00 H new ATOM 0 HE3 MET A 86 12.957 -3.486 -14.431 1.00 0.00 H new ATOM 1394 N VAL A 87 12.733 0.578 -10.978 1.00 0.00 N ATOM 1395 CA VAL A 87 13.452 1.611 -10.242 1.00 0.00 C ATOM 1396 C VAL A 87 14.716 1.050 -9.600 1.00 0.00 C ATOM 1397 O VAL A 87 15.720 1.750 -9.466 1.00 0.00 O ATOM 1398 CB VAL A 87 12.569 2.238 -9.147 1.00 0.00 C ATOM 1399 CG1 VAL A 87 11.202 2.601 -9.707 1.00 0.00 C ATOM 1400 CG2 VAL A 87 12.435 1.292 -7.964 1.00 0.00 C ATOM 0 H VAL A 87 11.740 0.514 -10.753 1.00 0.00 H new ATOM 0 HA VAL A 87 13.725 2.381 -10.964 1.00 0.00 H new ATOM 0 HB VAL A 87 13.048 3.153 -8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.592 3.043 -8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.320 3.318 -10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 87 10.713 1.703 -10.084 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.808 1.751 -7.200 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.979 0.359 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.422 1.087 -7.548 1.00 0.00 H new ATOM 1410 N SER A 88 14.660 -0.218 -9.205 1.00 0.00 N ATOM 1411 CA SER A 88 15.799 -0.874 -8.574 1.00 0.00 C ATOM 1412 C SER A 88 16.921 -1.104 -9.583 1.00 0.00 C ATOM 1413 O SER A 88 18.097 -1.151 -9.221 1.00 0.00 O ATOM 1414 CB SER A 88 15.370 -2.207 -7.958 1.00 0.00 C ATOM 1415 OG SER A 88 15.153 -3.185 -8.959 1.00 0.00 O ATOM 0 H SER A 88 13.837 -0.812 -9.311 1.00 0.00 H new ATOM 0 HA SER A 88 16.172 -0.221 -7.785 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.137 -2.555 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 88 14.457 -2.066 -7.379 1.00 0.00 H new ATOM 0 HG SER A 88 14.483 -2.859 -9.595 1.00 0.00 H new ATOM 1421 N HIS A 89 16.548 -1.248 -10.850 1.00 0.00 N ATOM 1422 CA HIS A 89 17.521 -1.473 -11.913 1.00 0.00 C ATOM 1423 C HIS A 89 18.185 -0.163 -12.328 1.00 0.00 C ATOM 1424 O HIS A 89 19.408 -0.087 -12.455 1.00 0.00 O ATOM 1425 CB HIS A 89 16.847 -2.122 -13.122 1.00 0.00 C ATOM 1426 CG HIS A 89 16.673 -3.603 -12.987 1.00 0.00 C ATOM 1427 ND1 HIS A 89 17.697 -4.451 -12.622 1.00 0.00 N ATOM 1428 CD2 HIS A 89 15.584 -4.386 -13.169 1.00 0.00 C ATOM 1429 CE1 HIS A 89 17.246 -5.693 -12.587 1.00 0.00 C ATOM 1430 NE2 HIS A 89 15.966 -5.680 -12.914 1.00 0.00 N ATOM 0 H HIS A 89 15.579 -1.213 -11.166 1.00 0.00 H new ATOM 0 HA HIS A 89 18.290 -2.145 -11.531 1.00 0.00 H new ATOM 0 HB2 HIS A 89 15.870 -1.662 -13.274 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.439 -1.914 -14.013 1.00 0.00 H new ATOM 0 HD2 HIS A 89 14.598 -4.055 -13.460 1.00 0.00 H new ATOM 0 HE1 HIS A 89 17.825 -6.569 -12.334 1.00 0.00 H new ATOM 0 HE2 HIS A 89 15.360 -6.499 -12.968 1.00 0.00 H new ATOM 1438 N THR A 90 17.371 0.867 -12.538 1.00 0.00 N ATOM 1439 CA THR A 90 17.879 2.173 -12.940 1.00 0.00 C ATOM 1440 C THR A 90 18.496 2.911 -11.757 1.00 0.00 C ATOM 1441 O THR A 90 19.486 3.625 -11.907 1.00 0.00 O ATOM 1442 CB THR A 90 16.766 3.045 -13.551 1.00 0.00 C ATOM 1443 OG1 THR A 90 17.294 4.321 -13.927 1.00 0.00 O ATOM 1444 CG2 THR A 90 15.624 3.233 -12.564 1.00 0.00 C ATOM 0 H THR A 90 16.357 0.822 -12.436 1.00 0.00 H new ATOM 0 HA THR A 90 18.646 1.995 -13.694 1.00 0.00 H new ATOM 0 HB THR A 90 16.381 2.538 -14.436 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.580 4.869 -14.316 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.850 3.852 -13.017 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.205 2.261 -12.303 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.998 3.721 -11.664 1.00 0.00 H new ATOM 1452 N GLY A 91 17.904 2.733 -10.580 1.00 0.00 N ATOM 1453 CA GLY A 91 18.410 3.388 -9.389 1.00 0.00 C ATOM 1454 C GLY A 91 17.319 4.094 -8.607 1.00 0.00 C ATOM 1455 O GLY A 91 17.118 3.818 -7.425 1.00 0.00 O ATOM 0 H GLY A 91 17.083 2.147 -10.431 1.00 0.00 H new ATOM 0 HA2 GLY A 91 18.892 2.649 -8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 91 19.175 4.111 -9.673 1.00 0.00 H new ATOM 1505 N TYR A 95 10.889 10.761 -11.558 1.00 0.00 N ATOM 1506 CA TYR A 95 10.341 11.941 -10.900 1.00 0.00 C ATOM 1507 C TYR A 95 10.322 11.762 -9.385 1.00 0.00 C ATOM 1508 O TYR A 95 10.178 10.647 -8.881 1.00 0.00 O ATOM 1509 CB TYR A 95 8.927 12.225 -11.409 1.00 0.00 C ATOM 1510 CG TYR A 95 8.856 12.460 -12.901 1.00 0.00 C ATOM 1511 CD1 TYR A 95 9.058 13.727 -13.435 1.00 0.00 C ATOM 1512 CD2 TYR A 95 8.587 11.415 -13.777 1.00 0.00 C ATOM 1513 CE1 TYR A 95 8.993 13.947 -14.797 1.00 0.00 C ATOM 1514 CE2 TYR A 95 8.522 11.626 -15.141 1.00 0.00 C ATOM 1515 CZ TYR A 95 8.726 12.893 -15.646 1.00 0.00 C ATOM 1516 OH TYR A 95 8.660 13.107 -17.004 1.00 0.00 O ATOM 0 HA TYR A 95 10.983 12.789 -11.139 1.00 0.00 H new ATOM 0 HB2 TYR A 95 8.282 11.385 -11.151 1.00 0.00 H new ATOM 0 HB3 TYR A 95 8.533 13.100 -10.893 1.00 0.00 H new ATOM 0 HD1 TYR A 95 9.270 14.554 -12.773 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.426 10.422 -13.385 1.00 0.00 H new ATOM 0 HE1 TYR A 95 9.150 14.939 -15.195 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.313 10.803 -15.808 1.00 0.00 H new ATOM 0 HH TYR A 95 8.465 12.261 -17.459 1.00 0.00 H new ATOM 1526 N LYS A 96 10.469 12.867 -8.663 1.00 0.00 N ATOM 1527 CA LYS A 96 10.467 12.835 -7.205 1.00 0.00 C ATOM 1528 C LYS A 96 10.014 14.175 -6.632 1.00 0.00 C ATOM 1529 O LYS A 96 10.243 15.226 -7.230 1.00 0.00 O ATOM 1530 CB LYS A 96 11.862 12.489 -6.680 1.00 0.00 C ATOM 1531 CG LYS A 96 12.072 11.003 -6.447 1.00 0.00 C ATOM 1532 CD LYS A 96 13.544 10.670 -6.269 1.00 0.00 C ATOM 1533 CE LYS A 96 14.246 10.515 -7.610 1.00 0.00 C ATOM 1534 NZ LYS A 96 15.719 10.699 -7.489 1.00 0.00 N ATOM 0 H LYS A 96 10.591 13.797 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 96 9.764 12.066 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.607 12.846 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.032 13.023 -5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.518 10.690 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.670 10.441 -7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.029 11.457 -5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.643 9.748 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.036 9.526 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.846 11.243 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.161 10.586 -8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.921 11.652 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.105 9.988 -6.835 1.00 0.00 H new ATOM 1548 N CYS A 97 9.372 14.129 -5.470 1.00 0.00 N ATOM 1549 CA CYS A 97 8.889 15.339 -4.815 1.00 0.00 C ATOM 1550 C CYS A 97 10.003 16.006 -4.014 1.00 0.00 C ATOM 1551 O CYS A 97 11.152 15.567 -4.044 1.00 0.00 O ATOM 1552 CB CYS A 97 7.711 15.010 -3.896 1.00 0.00 C ATOM 1553 SG CYS A 97 6.505 16.364 -3.719 1.00 0.00 S ATOM 0 H CYS A 97 9.174 13.267 -4.962 1.00 0.00 H new ATOM 0 HA CYS A 97 8.556 16.033 -5.587 1.00 0.00 H new ATOM 0 HB2 CYS A 97 7.198 14.129 -4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 97 8.095 14.749 -2.910 1.00 0.00 H new ATOM 0 HG CYS A 97 6.481 17.069 -4.811 1.00 0.00 H new ATOM 1558 N SER A 98 9.653 17.070 -3.297 1.00 0.00 N ATOM 1559 CA SER A 98 10.624 17.800 -2.490 1.00 0.00 C ATOM 1560 C SER A 98 10.217 17.801 -1.020 1.00 0.00 C ATOM 1561 O SER A 98 11.031 17.525 -0.139 1.00 0.00 O ATOM 1562 CB SER A 98 10.759 19.238 -2.995 1.00 0.00 C ATOM 1563 OG SER A 98 9.489 19.853 -3.128 1.00 0.00 O ATOM 0 H SER A 98 8.705 17.445 -3.259 1.00 0.00 H new ATOM 0 HA SER A 98 11.587 17.298 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.375 19.813 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.271 19.242 -3.957 1.00 0.00 H new ATOM 0 HG SER A 98 9.602 20.771 -3.450 1.00 0.00 H new ATOM 1569 N SER A 99 8.951 18.114 -0.763 1.00 0.00 N ATOM 1570 CA SER A 99 8.435 18.155 0.600 1.00 0.00 C ATOM 1571 C SER A 99 8.398 16.757 1.210 1.00 0.00 C ATOM 1572 O SER A 99 8.927 16.527 2.298 1.00 0.00 O ATOM 1573 CB SER A 99 7.034 18.769 0.620 1.00 0.00 C ATOM 1574 OG SER A 99 6.763 19.382 1.868 1.00 0.00 O ATOM 0 H SER A 99 8.264 18.343 -1.481 1.00 0.00 H new ATOM 0 HA SER A 99 9.104 18.775 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.946 19.507 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.292 17.995 0.423 1.00 0.00 H new ATOM 0 HG SER A 99 5.862 19.768 1.854 1.00 0.00 H new ATOM 1580 N CYS A 100 7.770 15.826 0.500 1.00 0.00 N ATOM 1581 CA CYS A 100 7.663 14.449 0.969 1.00 0.00 C ATOM 1582 C CYS A 100 8.777 13.587 0.384 1.00 0.00 C ATOM 1583 O CYS A 100 9.169 12.578 0.971 1.00 0.00 O ATOM 1584 CB CYS A 100 6.300 13.865 0.593 1.00 0.00 C ATOM 1585 SG CYS A 100 6.015 13.739 -1.202 1.00 0.00 S ATOM 0 H CYS A 100 7.327 16.000 -0.402 1.00 0.00 H new ATOM 0 HA CYS A 100 7.763 14.452 2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 100 6.207 12.873 1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 100 5.518 14.484 1.032 1.00 0.00 H new ATOM 0 HG CYS A 100 6.216 14.898 -1.756 1.00 0.00 H new ATOM 1590 N SER A 101 9.284 13.991 -0.777 1.00 0.00 N ATOM 1591 CA SER A 101 10.351 13.254 -1.443 1.00 0.00 C ATOM 1592 C SER A 101 9.811 11.981 -2.087 1.00 0.00 C ATOM 1593 O SER A 101 10.541 11.006 -2.266 1.00 0.00 O ATOM 1594 CB SER A 101 11.459 12.906 -0.447 1.00 0.00 C ATOM 1595 OG SER A 101 12.719 12.837 -1.090 1.00 0.00 O ATOM 0 H SER A 101 8.973 14.825 -1.275 1.00 0.00 H new ATOM 0 HA SER A 101 10.764 13.890 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.491 13.656 0.343 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.237 11.951 0.029 1.00 0.00 H new ATOM 0 HG SER A 101 13.410 12.615 -0.432 1.00 0.00 H new ATOM 1601 N GLN A 102 8.528 11.998 -2.433 1.00 0.00 N ATOM 1602 CA GLN A 102 7.889 10.845 -3.056 1.00 0.00 C ATOM 1603 C GLN A 102 8.535 10.525 -4.400 1.00 0.00 C ATOM 1604 O GLN A 102 9.523 11.148 -4.787 1.00 0.00 O ATOM 1605 CB GLN A 102 6.393 11.103 -3.244 1.00 0.00 C ATOM 1606 CG GLN A 102 5.536 10.566 -2.109 1.00 0.00 C ATOM 1607 CD GLN A 102 4.058 10.555 -2.449 1.00 0.00 C ATOM 1608 OE1 GLN A 102 3.732 10.118 -3.660 1.00 0.00 O flip ATOM 1609 NE2 GLN A 102 3.219 10.936 -1.632 1.00 0.00 N flip ATOM 0 H GLN A 102 7.910 12.798 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 102 8.022 9.988 -2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.227 12.176 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.069 10.648 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.856 9.553 -1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.696 11.174 -1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.515 11.264 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.228 10.924 -1.875 1.00 0.00 H new ATOM 1618 N GLN A 103 7.970 9.551 -5.106 1.00 0.00 N ATOM 1619 CA GLN A 103 8.492 9.149 -6.407 1.00 0.00 C ATOM 1620 C GLN A 103 7.359 8.926 -7.403 1.00 0.00 C ATOM 1621 O GLN A 103 6.240 8.584 -7.019 1.00 0.00 O ATOM 1622 CB GLN A 103 9.328 7.875 -6.272 1.00 0.00 C ATOM 1623 CG GLN A 103 10.457 7.992 -5.261 1.00 0.00 C ATOM 1624 CD GLN A 103 11.229 6.698 -5.097 1.00 0.00 C ATOM 1625 OE1 GLN A 103 11.173 6.056 -4.048 1.00 0.00 O ATOM 1626 NE2 GLN A 103 11.957 6.307 -6.137 1.00 0.00 N ATOM 0 H GLN A 103 7.151 9.026 -4.799 1.00 0.00 H new ATOM 0 HA GLN A 103 9.126 9.953 -6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.676 7.051 -5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 103 9.748 7.621 -7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 103 11.140 8.781 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN A 103 10.047 8.291 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.975 6.870 -6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.498 5.444 -6.085 1.00 0.00 H new ATOM 1635 N PHE A 104 7.656 9.121 -8.683 1.00 0.00 N ATOM 1636 CA PHE A 104 6.662 8.942 -9.735 1.00 0.00 C ATOM 1637 C PHE A 104 7.325 8.530 -11.046 1.00 0.00 C ATOM 1638 O PHE A 104 8.504 8.803 -11.270 1.00 0.00 O ATOM 1639 CB PHE A 104 5.865 10.233 -9.937 1.00 0.00 C ATOM 1640 CG PHE A 104 5.349 10.826 -8.658 1.00 0.00 C ATOM 1641 CD1 PHE A 104 6.210 11.458 -7.775 1.00 0.00 C ATOM 1642 CD2 PHE A 104 4.003 10.751 -8.338 1.00 0.00 C ATOM 1643 CE1 PHE A 104 5.737 12.004 -6.596 1.00 0.00 C ATOM 1644 CE2 PHE A 104 3.525 11.295 -7.160 1.00 0.00 C ATOM 1645 CZ PHE A 104 4.393 11.923 -6.289 1.00 0.00 C ATOM 0 H PHE A 104 8.577 9.403 -9.017 1.00 0.00 H new ATOM 0 HA PHE A 104 5.982 8.147 -9.427 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.497 10.966 -10.439 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.024 10.031 -10.600 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.262 11.525 -8.010 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.319 10.262 -9.016 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.418 12.493 -5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.474 11.229 -6.921 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.022 12.350 -5.369 1.00 0.00 H new ATOM 1655 N MET A 105 6.559 7.869 -11.907 1.00 0.00 N ATOM 1656 CA MET A 105 7.071 7.419 -13.196 1.00 0.00 C ATOM 1657 C MET A 105 6.798 8.454 -14.282 1.00 0.00 C ATOM 1658 O MET A 105 7.516 8.525 -15.279 1.00 0.00 O ATOM 1659 CB MET A 105 6.439 6.080 -13.581 1.00 0.00 C ATOM 1660 CG MET A 105 7.202 4.874 -13.057 1.00 0.00 C ATOM 1661 SD MET A 105 8.909 4.827 -13.637 1.00 0.00 S ATOM 1662 CE MET A 105 9.705 3.977 -12.276 1.00 0.00 C ATOM 0 H MET A 105 5.582 7.633 -11.736 1.00 0.00 H new ATOM 0 HA MET A 105 8.150 7.291 -13.105 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.418 6.047 -13.201 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.377 6.016 -14.667 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.193 4.889 -11.967 1.00 0.00 H new ATOM 0 HG3 MET A 105 6.691 3.963 -13.368 1.00 0.00 H new ATOM 0 HE1 MET A 105 10.377 3.213 -12.667 1.00 0.00 H new ATOM 0 HE2 MET A 105 10.274 4.693 -11.683 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.948 3.507 -11.648 1.00 0.00 H new ATOM 1672 N GLN A 106 5.755 9.255 -14.081 1.00 0.00 N ATOM 1673 CA GLN A 106 5.387 10.285 -15.045 1.00 0.00 C ATOM 1674 C GLN A 106 5.558 11.677 -14.444 1.00 0.00 C ATOM 1675 O GLN A 106 5.697 11.829 -13.231 1.00 0.00 O ATOM 1676 CB GLN A 106 3.942 10.089 -15.506 1.00 0.00 C ATOM 1677 CG GLN A 106 3.615 8.655 -15.889 1.00 0.00 C ATOM 1678 CD GLN A 106 2.557 8.567 -16.971 1.00 0.00 C ATOM 1679 OE1 GLN A 106 2.300 9.537 -17.685 1.00 0.00 O ATOM 1680 NE2 GLN A 106 1.936 7.400 -17.099 1.00 0.00 N ATOM 0 H GLN A 106 5.151 9.210 -13.260 1.00 0.00 H new ATOM 0 HA GLN A 106 6.050 10.196 -15.906 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.269 10.406 -14.709 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.751 10.737 -16.361 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.523 8.159 -16.232 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.272 8.116 -15.006 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.180 6.622 -16.486 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.215 7.281 -17.810 1.00 0.00 H new ATOM 1689 N LYS A 107 5.545 12.691 -15.303 1.00 0.00 N ATOM 1690 CA LYS A 107 5.697 14.072 -14.858 1.00 0.00 C ATOM 1691 C LYS A 107 4.370 14.631 -14.355 1.00 0.00 C ATOM 1692 O LYS A 107 4.305 15.233 -13.283 1.00 0.00 O ATOM 1693 CB LYS A 107 6.228 14.941 -16.000 1.00 0.00 C ATOM 1694 CG LYS A 107 6.208 16.428 -15.692 1.00 0.00 C ATOM 1695 CD LYS A 107 6.547 17.257 -16.921 1.00 0.00 C ATOM 1696 CE LYS A 107 8.027 17.602 -16.969 1.00 0.00 C ATOM 1697 NZ LYS A 107 8.412 18.213 -18.272 1.00 0.00 N ATOM 0 H LYS A 107 5.431 12.583 -16.311 1.00 0.00 H new ATOM 0 HA LYS A 107 6.412 14.086 -14.035 1.00 0.00 H new ATOM 0 HB2 LYS A 107 7.250 14.640 -16.230 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.632 14.755 -16.894 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.222 16.711 -15.322 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.921 16.646 -14.897 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.271 16.706 -17.820 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.958 18.174 -16.916 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.266 18.292 -16.160 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.616 16.700 -16.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.428 18.434 -18.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.208 17.545 -19.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.869 19.088 -18.419 1.00 0.00 H new ATOM 1711 N LYS A 108 3.314 14.425 -15.134 1.00 0.00 N ATOM 1712 CA LYS A 108 1.987 14.906 -14.766 1.00 0.00 C ATOM 1713 C LYS A 108 1.534 14.295 -13.443 1.00 0.00 C ATOM 1714 O LYS A 108 0.815 14.928 -12.671 1.00 0.00 O ATOM 1715 CB LYS A 108 0.978 14.571 -15.867 1.00 0.00 C ATOM 1716 CG LYS A 108 0.785 13.079 -16.081 1.00 0.00 C ATOM 1717 CD LYS A 108 -0.246 12.800 -17.162 1.00 0.00 C ATOM 1718 CE LYS A 108 -1.642 12.650 -16.576 1.00 0.00 C ATOM 1719 NZ LYS A 108 -2.329 13.964 -16.435 1.00 0.00 N ATOM 0 H LYS A 108 3.351 13.928 -16.024 1.00 0.00 H new ATOM 0 HA LYS A 108 2.040 15.988 -14.647 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.017 15.021 -15.617 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.309 15.024 -16.802 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.736 12.624 -16.358 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.469 12.614 -15.147 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.241 13.612 -17.889 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.024 11.890 -17.698 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.236 11.997 -17.215 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.576 12.168 -15.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.359 13.822 -16.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.066 14.397 -15.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.042 14.591 -17.214 1.00 0.00 H new ATOM 1733 N ASP A 109 1.961 13.064 -13.189 1.00 0.00 N ATOM 1734 CA ASP A 109 1.602 12.369 -11.958 1.00 0.00 C ATOM 1735 C ASP A 109 2.137 13.113 -10.738 1.00 0.00 C ATOM 1736 O ASP A 109 1.478 13.178 -9.700 1.00 0.00 O ATOM 1737 CB ASP A 109 2.145 10.939 -11.977 1.00 0.00 C ATOM 1738 CG ASP A 109 1.271 9.977 -11.196 1.00 0.00 C ATOM 1739 OD1 ASP A 109 0.920 10.299 -10.042 1.00 0.00 O ATOM 1740 OD2 ASP A 109 0.938 8.903 -11.739 1.00 0.00 O ATOM 0 H ASP A 109 2.556 12.526 -13.819 1.00 0.00 H new ATOM 0 HA ASP A 109 0.514 12.335 -11.893 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.224 10.597 -13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.152 10.930 -11.560 1.00 0.00 H new ATOM 1745 N LEU A 110 3.335 13.671 -10.870 1.00 0.00 N ATOM 1746 CA LEU A 110 3.959 14.409 -9.778 1.00 0.00 C ATOM 1747 C LEU A 110 3.321 15.785 -9.617 1.00 0.00 C ATOM 1748 O LEU A 110 2.900 16.159 -8.523 1.00 0.00 O ATOM 1749 CB LEU A 110 5.461 14.557 -10.030 1.00 0.00 C ATOM 1750 CG LEU A 110 6.184 15.603 -9.180 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.085 15.252 -7.703 1.00 0.00 C ATOM 1752 CD2 LEU A 110 7.640 15.722 -9.606 1.00 0.00 C ATOM 0 H LEU A 110 3.894 13.626 -11.722 1.00 0.00 H new ATOM 0 HA LEU A 110 3.805 13.847 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.935 13.590 -9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.610 14.806 -11.081 1.00 0.00 H new ATOM 0 HG LEU A 110 5.701 16.568 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.605 16.007 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.037 15.219 -7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.542 14.278 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.139 16.471 -8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.136 14.760 -9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.689 16.021 -10.653 1.00 0.00 H new ATOM 1764 N GLN A 111 3.252 16.532 -10.714 1.00 0.00 N ATOM 1765 CA GLN A 111 2.664 17.866 -10.693 1.00 0.00 C ATOM 1766 C GLN A 111 1.310 17.854 -9.991 1.00 0.00 C ATOM 1767 O GLN A 111 1.057 18.660 -9.096 1.00 0.00 O ATOM 1768 CB GLN A 111 2.507 18.400 -12.119 1.00 0.00 C ATOM 1769 CG GLN A 111 3.829 18.592 -12.845 1.00 0.00 C ATOM 1770 CD GLN A 111 3.781 19.723 -13.854 1.00 0.00 C ATOM 1771 OE1 GLN A 111 2.783 20.437 -13.956 1.00 0.00 O ATOM 1772 NE2 GLN A 111 4.861 19.891 -14.607 1.00 0.00 N ATOM 0 H GLN A 111 3.596 16.236 -11.628 1.00 0.00 H new ATOM 0 HA GLN A 111 3.335 18.522 -10.138 1.00 0.00 H new ATOM 0 HB2 GLN A 111 1.885 17.711 -12.690 1.00 0.00 H new ATOM 0 HB3 GLN A 111 1.979 19.353 -12.085 1.00 0.00 H new ATOM 0 HG2 GLN A 111 4.614 18.794 -12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 111 4.097 17.667 -13.355 1.00 0.00 H new ATOM 0 HE21 GLN A 111 5.666 19.276 -14.489 1.00 0.00 H new ATOM 0 HE22 GLN A 111 4.886 20.635 -15.304 1.00 0.00 H new ATOM 1781 N SER A 112 0.444 16.933 -10.403 1.00 0.00 N ATOM 1782 CA SER A 112 -0.886 16.818 -9.816 1.00 0.00 C ATOM 1783 C SER A 112 -0.798 16.409 -8.348 1.00 0.00 C ATOM 1784 O SER A 112 -1.597 16.848 -7.521 1.00 0.00 O ATOM 1785 CB SER A 112 -1.722 15.799 -10.592 1.00 0.00 C ATOM 1786 OG SER A 112 -3.108 16.062 -10.448 1.00 0.00 O ATOM 0 H SER A 112 0.640 16.256 -11.141 1.00 0.00 H new ATOM 0 HA SER A 112 -1.369 17.794 -9.875 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.450 15.829 -11.647 1.00 0.00 H new ATOM 0 HB3 SER A 112 -1.500 14.794 -10.234 1.00 0.00 H new ATOM 0 HG SER A 112 -3.621 15.398 -10.954 1.00 0.00 H new ATOM 1792 N HIS A 113 0.179 15.564 -8.033 1.00 0.00 N ATOM 1793 CA HIS A 113 0.372 15.094 -6.666 1.00 0.00 C ATOM 1794 C HIS A 113 0.708 16.256 -5.735 1.00 0.00 C ATOM 1795 O HIS A 113 0.245 16.305 -4.597 1.00 0.00 O ATOM 1796 CB HIS A 113 1.485 14.047 -6.616 1.00 0.00 C ATOM 1797 CG HIS A 113 2.252 14.049 -5.330 1.00 0.00 C ATOM 1798 ND1 HIS A 113 3.309 14.795 -4.930 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 1.959 13.208 -4.278 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 3.630 14.396 -3.656 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 2.800 13.438 -3.285 1.00 0.00 N flip ATOM 0 H HIS A 113 0.849 15.191 -8.706 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.559 14.639 -6.329 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.050 13.059 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.175 14.223 -7.441 1.00 0.00 H new ATOM 0 HD1 HIS A 113 3.779 15.519 -5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 113 1.166 12.475 -4.267 1.00 0.00 H new ATOM 0 HE1 HIS A 113 4.431 14.800 -3.055 1.00 0.00 H new ATOM 1809 N MET A 114 1.518 17.188 -6.228 1.00 0.00 N ATOM 1810 CA MET A 114 1.915 18.349 -5.441 1.00 0.00 C ATOM 1811 C MET A 114 0.791 19.379 -5.385 1.00 0.00 C ATOM 1812 O MET A 114 0.676 20.134 -4.420 1.00 0.00 O ATOM 1813 CB MET A 114 3.176 18.984 -6.029 1.00 0.00 C ATOM 1814 CG MET A 114 4.367 18.040 -6.076 1.00 0.00 C ATOM 1815 SD MET A 114 5.941 18.912 -6.180 1.00 0.00 S ATOM 1816 CE MET A 114 6.030 19.648 -4.550 1.00 0.00 C ATOM 0 H MET A 114 1.912 17.161 -7.169 1.00 0.00 H new ATOM 0 HA MET A 114 2.126 18.013 -4.426 1.00 0.00 H new ATOM 0 HB2 MET A 114 2.960 19.334 -7.039 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.441 19.861 -5.438 1.00 0.00 H new ATOM 0 HG2 MET A 114 4.363 17.411 -5.186 1.00 0.00 H new ATOM 0 HG3 MET A 114 4.266 17.377 -6.935 1.00 0.00 H new ATOM 0 HE1 MET A 114 6.008 20.734 -4.639 1.00 0.00 H new ATOM 0 HE2 MET A 114 5.180 19.316 -3.954 1.00 0.00 H new ATOM 0 HE3 MET A 114 6.956 19.343 -4.063 1.00 0.00 H new ATOM 1826 N ILE A 115 -0.034 19.404 -6.427 1.00 0.00 N ATOM 1827 CA ILE A 115 -1.148 20.341 -6.495 1.00 0.00 C ATOM 1828 C ILE A 115 -2.322 19.862 -5.648 1.00 0.00 C ATOM 1829 O ILE A 115 -3.160 20.657 -5.221 1.00 0.00 O ATOM 1830 CB ILE A 115 -1.625 20.543 -7.945 1.00 0.00 C ATOM 1831 CG1 ILE A 115 -0.498 21.127 -8.800 1.00 0.00 C ATOM 1832 CG2 ILE A 115 -2.847 21.450 -7.980 1.00 0.00 C ATOM 1833 CD1 ILE A 115 -0.550 20.691 -10.248 1.00 0.00 C ATOM 0 H ILE A 115 0.048 18.787 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.785 21.292 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 115 -1.904 19.573 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.545 22.215 -8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.461 20.831 -8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.172 21.583 -9.012 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -3.652 20.998 -7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.593 22.420 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.278 21.143 -10.794 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.472 19.605 -10.304 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.494 21.010 -10.691 1.00 0.00 H new ATOM 1845 N LYS A 116 -2.376 18.557 -5.405 1.00 0.00 N ATOM 1846 CA LYS A 116 -3.445 17.970 -4.605 1.00 0.00 C ATOM 1847 C LYS A 116 -3.009 17.803 -3.153 1.00 0.00 C ATOM 1848 O LYS A 116 -3.652 18.318 -2.238 1.00 0.00 O ATOM 1849 CB LYS A 116 -3.858 16.615 -5.185 1.00 0.00 C ATOM 1850 CG LYS A 116 -4.888 16.717 -6.296 1.00 0.00 C ATOM 1851 CD LYS A 116 -4.236 17.021 -7.634 1.00 0.00 C ATOM 1852 CE LYS A 116 -5.274 17.320 -8.705 1.00 0.00 C ATOM 1853 NZ LYS A 116 -5.931 18.639 -8.487 1.00 0.00 N ATOM 0 H LYS A 116 -1.691 17.885 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.300 18.646 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.972 16.108 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.260 15.994 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -5.444 15.782 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.608 17.499 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.565 17.874 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.626 16.172 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.798 17.309 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -6.029 16.534 -8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.476 18.899 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.570 18.578 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.206 19.362 -8.306 1.00 0.00 H new ATOM 1867 N LEU A 117 -1.912 17.081 -2.949 1.00 0.00 N ATOM 1868 CA LEU A 117 -1.389 16.847 -1.608 1.00 0.00 C ATOM 1869 C LEU A 117 -0.688 18.091 -1.072 1.00 0.00 C ATOM 1870 O LEU A 117 -0.891 18.485 0.077 1.00 0.00 O ATOM 1871 CB LEU A 117 -0.419 15.665 -1.616 1.00 0.00 C ATOM 1872 CG LEU A 117 -0.934 14.379 -2.263 1.00 0.00 C ATOM 1873 CD1 LEU A 117 -0.164 13.174 -1.743 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -2.424 14.212 -2.006 1.00 0.00 C ATOM 0 H LEU A 117 -1.368 16.648 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.229 16.615 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.490 15.970 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.139 15.443 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.777 14.449 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.544 12.268 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.894 13.289 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.289 13.101 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.773 13.291 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.605 14.164 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.963 15.060 -2.428 1.00 0.00 H new ATOM 1886 N HIS A 118 0.137 18.708 -1.913 1.00 0.00 N ATOM 1887 CA HIS A 118 0.866 19.910 -1.525 1.00 0.00 C ATOM 1888 C HIS A 118 0.213 21.156 -2.115 1.00 0.00 C ATOM 1889 O HIS A 118 0.892 22.028 -2.656 1.00 0.00 O ATOM 1890 CB HIS A 118 2.322 19.818 -1.982 1.00 0.00 C ATOM 1891 CG HIS A 118 3.047 18.626 -1.438 1.00 0.00 C ATOM 1892 ND1 HIS A 118 3.371 18.486 -0.105 1.00 0.00 N ATOM 1893 CD2 HIS A 118 3.510 17.514 -2.055 1.00 0.00 C ATOM 1894 CE1 HIS A 118 4.003 17.339 0.074 1.00 0.00 C ATOM 1895 NE2 HIS A 118 4.100 16.730 -1.094 1.00 0.00 N ATOM 0 H HIS A 118 0.317 18.395 -2.867 1.00 0.00 H new ATOM 0 HA HIS A 118 0.838 19.987 -0.438 1.00 0.00 H new ATOM 0 HB2 HIS A 118 2.351 19.784 -3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 118 2.848 20.723 -1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.430 17.286 -3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 118 4.377 16.964 1.015 1.00 0.00 H new ATOM 0 HE2 HIS A 118 4.541 15.825 -1.256 1.00 0.00 H new