USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1276 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: B 1 MET CE :methyl -152:sc= -0.115 (180deg=-1.03) USER MOD Set 1.2: B 5 ASN : amide:sc= 0 X(o=-0.11,f=-0.11) USER MOD Set 2.1: A 72 HIS :FLIP no HD1:sc= -0.719 X(o=-1,f=-0.72) USER MOD Set 2.2: A 74 HIS :FLIP no HD1:sc= 0 X(o=-0.98,f=-0.72) USER MOD Single : A 1 MET CE :methyl -138:sc= -0.0952 (180deg=-0.625) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0911 K(o=-0.091,f=-0.61) USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= -0.328 (180deg=-1.31) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 19 LYS NZ :NH3+ -141:sc= 0.186 (180deg=-1.11) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -133:sc= -0.862 (180deg=-5.06!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.45 USER MOD Single : A 30 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.99) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.93 F(o=-1.9!,f=-0.93) USER MOD Single : A 33 CYS SG : rot 75:sc= 1.28 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 37 GLN : amide:sc= -0.0322 K(o=-0.032,f=-1.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0023 (180deg=-0.231) USER MOD Single : A 47 TYR OH : rot 97:sc= 0.0219 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -128:sc= 0.0102 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.2! C(o=-3.2!,f=-6.3!) USER MOD Single : A 68 ASN : amide:sc= -0.266 K(o=-0.27,f=-4!) USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= -0.0924 (180deg=-0.649) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -1.63 F(o=-3.5!,f=-1.6) USER MOD Single : A 75 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 77 HIS : no HD1:sc= -1.66! C(o=-1.7!,f=-3.7!) USER MOD Single : B 1 MET N :NH3+ -158:sc= -0.105 (180deg=-0.747) USER MOD Single : B 4 SER OG : rot 180:sc= -0.0307 USER MOD Single : B 8 LYS NZ :NH3+ -142:sc= -3.01! (180deg=-4.91!) USER MOD Single : B 15 SER OG : rot -21:sc= 1.29 USER MOD Single : B 17 THR OG1 : rot -170:sc= -0.795 USER MOD Single : B 19 LYS NZ :NH3+ 158:sc= -0.109 (180deg=-0.588) USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 25 MET CE :methyl -107:sc= 0 (180deg=-0.381) USER MOD Single : B 28 SER OG : rot 109:sc= -0.038 USER MOD Single : B 30 GLN : amide:sc=-0.00451 K(o=-0.0045,f=-1.5!) USER MOD Single : B 31 GLN :FLIP amide:sc= -0.186 F(o=-0.96,f=-0.19) USER MOD Single : B 33 CYS SG : rot 75:sc= 0.437 USER MOD Single : B 34 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.4!) USER MOD Single : B 37 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.2) USER MOD Single : B 38 SER OG : rot 180:sc= 0 USER MOD Single : B 40 THR OG1 : rot 29:sc= 0.436 USER MOD Single : B 46 LYS NZ :NH3+ -165:sc=-0.00329 (180deg=-0.272) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot -37:sc= 0.8 USER MOD Single : B 54 LYS NZ :NH3+ -161:sc= -0.0609 (180deg=-0.532) USER MOD Single : B 59 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.52) USER MOD Single : B 68 ASN : amide:sc= -0.625 X(o=-0.63,f=-0.28) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.04) USER MOD Single : B 73 HIS : no HD1:sc= -0.0731 X(o=-0.073,f=0) USER MOD Single : B 74 HIS : no HD1:sc=-0.00572 X(o=-0.0057,f=-0.33) USER MOD Single : B 75 HIS :FLIP no HD1:sc= -0.931 F(o=-2.2!,f=-0.93) USER MOD Single : B 76 HIS : no HE2:sc= -5.13! C(o=-5.1!,f=-7.1!) USER MOD Single : B 77 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.508 15.198 9.124 1.00 0.00 N ATOM 2 CA MET A 1 9.284 14.964 8.308 1.00 0.00 C ATOM 3 C MET A 1 8.979 13.464 8.279 1.00 0.00 C ATOM 4 O MET A 1 9.403 12.749 7.392 1.00 0.00 O ATOM 5 CB MET A 1 9.516 15.485 6.886 1.00 0.00 C ATOM 6 CG MET A 1 8.201 15.459 6.104 1.00 0.00 C ATOM 7 SD MET A 1 7.057 16.683 6.801 1.00 0.00 S ATOM 8 CE MET A 1 7.282 17.977 5.553 1.00 0.00 C ATOM 0 H1 MET A 1 10.720 16.216 9.147 1.00 0.00 H new ATOM 0 H2 MET A 1 10.350 14.855 10.093 1.00 0.00 H new ATOM 0 H3 MET A 1 11.309 14.687 8.702 1.00 0.00 H new ATOM 0 HA MET A 1 8.437 15.492 8.745 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.909 16.501 6.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.262 14.871 6.381 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.387 15.677 5.052 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.758 14.464 6.150 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.341 18.949 6.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.203 17.793 5.000 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.437 17.969 4.864 1.00 0.00 H new ATOM 20 N GLU A 2 8.255 12.985 9.253 1.00 0.00 N ATOM 21 CA GLU A 2 7.928 11.532 9.302 1.00 0.00 C ATOM 22 C GLU A 2 6.775 11.226 8.343 1.00 0.00 C ATOM 23 O GLU A 2 6.003 12.095 7.987 1.00 0.00 O ATOM 24 CB GLU A 2 7.520 11.155 10.728 1.00 0.00 C ATOM 25 CG GLU A 2 8.576 11.673 11.708 1.00 0.00 C ATOM 26 CD GLU A 2 9.921 11.000 11.421 1.00 0.00 C ATOM 27 OE1 GLU A 2 10.131 9.905 11.916 1.00 0.00 O ATOM 28 OE2 GLU A 2 10.722 11.599 10.723 1.00 0.00 O ATOM 0 H GLU A 2 7.874 13.540 10.020 1.00 0.00 H new ATOM 0 HA GLU A 2 8.803 10.954 9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.546 11.583 10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.424 10.073 10.817 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.673 12.755 11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.267 11.467 12.733 1.00 0.00 H new ATOM 35 N LEU A 3 6.658 10.000 7.913 1.00 0.00 N ATOM 36 CA LEU A 3 5.562 9.637 6.967 1.00 0.00 C ATOM 37 C LEU A 3 4.201 9.856 7.639 1.00 0.00 C ATOM 38 O LEU A 3 3.281 10.392 7.048 1.00 0.00 O ATOM 39 CB LEU A 3 5.707 8.161 6.585 1.00 0.00 C ATOM 40 CG LEU A 3 4.648 7.770 5.540 1.00 0.00 C ATOM 41 CD1 LEU A 3 4.871 8.556 4.235 1.00 0.00 C ATOM 42 CD2 LEU A 3 4.749 6.265 5.262 1.00 0.00 C ATOM 0 H LEU A 3 7.275 9.231 8.176 1.00 0.00 H new ATOM 0 HA LEU A 3 5.625 10.262 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.705 7.978 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.599 7.537 7.472 1.00 0.00 H new ATOM 0 HG LEU A 3 3.657 8.009 5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.115 8.270 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.795 9.625 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.861 8.331 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.001 5.981 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.743 6.031 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.575 5.712 6.185 1.00 0.00 H new ATOM 54 N SER A 4 4.060 9.434 8.865 1.00 0.00 N ATOM 55 CA SER A 4 2.760 9.602 9.571 1.00 0.00 C ATOM 56 C SER A 4 2.437 11.092 9.706 1.00 0.00 C ATOM 57 O SER A 4 1.296 11.502 9.628 1.00 0.00 O ATOM 58 CB SER A 4 2.863 8.968 10.956 1.00 0.00 C ATOM 59 OG SER A 4 3.910 9.598 11.678 1.00 0.00 O ATOM 0 H SER A 4 4.792 8.978 9.410 1.00 0.00 H new ATOM 0 HA SER A 4 1.966 9.117 9.004 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.919 9.077 11.490 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.058 7.899 10.867 1.00 0.00 H new ATOM 0 HG SER A 4 3.980 9.197 12.569 1.00 0.00 H new ATOM 65 N ASN A 5 3.436 11.901 9.907 1.00 0.00 N ATOM 66 CA ASN A 5 3.203 13.364 10.046 1.00 0.00 C ATOM 67 C ASN A 5 2.662 13.929 8.729 1.00 0.00 C ATOM 68 O ASN A 5 1.792 14.779 8.716 1.00 0.00 O ATOM 69 CB ASN A 5 4.528 14.043 10.391 1.00 0.00 C ATOM 70 CG ASN A 5 4.348 15.562 10.387 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.438 16.191 9.352 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.099 16.183 11.507 1.00 0.00 N ATOM 0 H ASN A 5 4.411 11.610 9.982 1.00 0.00 H new ATOM 0 HA ASN A 5 2.475 13.549 10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.873 13.711 11.370 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.293 13.756 9.669 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.980 17.196 11.513 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.023 15.655 12.377 1.00 0.00 H new ATOM 79 N GLU A 6 3.179 13.473 7.622 1.00 0.00 N ATOM 80 CA GLU A 6 2.709 13.987 6.305 1.00 0.00 C ATOM 81 C GLU A 6 1.210 13.718 6.140 1.00 0.00 C ATOM 82 O GLU A 6 0.437 14.607 5.844 1.00 0.00 O ATOM 83 CB GLU A 6 3.464 13.254 5.194 1.00 0.00 C ATOM 84 CG GLU A 6 4.938 13.689 5.164 1.00 0.00 C ATOM 85 CD GLU A 6 5.090 14.986 4.364 1.00 0.00 C ATOM 86 OE1 GLU A 6 4.086 15.499 3.899 1.00 0.00 O ATOM 87 OE2 GLU A 6 6.211 15.446 4.232 1.00 0.00 O ATOM 0 H GLU A 6 3.910 12.763 7.573 1.00 0.00 H new ATOM 0 HA GLU A 6 2.891 15.060 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.400 12.177 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.998 13.463 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.302 13.835 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.548 12.904 4.717 1.00 0.00 H new ATOM 94 N LEU A 7 0.795 12.496 6.331 1.00 0.00 N ATOM 95 CA LEU A 7 -0.651 12.164 6.179 1.00 0.00 C ATOM 96 C LEU A 7 -1.469 12.957 7.204 1.00 0.00 C ATOM 97 O LEU A 7 -2.551 13.429 6.917 1.00 0.00 O ATOM 98 CB LEU A 7 -0.850 10.657 6.404 1.00 0.00 C ATOM 99 CG LEU A 7 -0.559 9.886 5.111 1.00 0.00 C ATOM 100 CD1 LEU A 7 0.881 10.142 4.667 1.00 0.00 C ATOM 101 CD2 LEU A 7 -0.755 8.389 5.363 1.00 0.00 C ATOM 0 H LEU A 7 1.395 11.712 6.586 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.986 12.427 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.190 10.310 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.872 10.462 6.730 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.240 10.222 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.082 9.592 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.023 11.208 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.567 9.809 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.549 7.836 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.073 8.060 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.783 8.204 5.675 1.00 0.00 H new ATOM 113 N LYS A 8 -0.966 13.100 8.394 1.00 0.00 N ATOM 114 CA LYS A 8 -1.718 13.855 9.432 1.00 0.00 C ATOM 115 C LYS A 8 -1.958 15.288 8.943 1.00 0.00 C ATOM 116 O LYS A 8 -3.017 15.853 9.137 1.00 0.00 O ATOM 117 CB LYS A 8 -0.896 13.882 10.720 1.00 0.00 C ATOM 118 CG LYS A 8 -1.709 14.545 11.832 1.00 0.00 C ATOM 119 CD LYS A 8 -0.929 14.478 13.147 1.00 0.00 C ATOM 120 CE LYS A 8 -1.758 15.112 14.265 1.00 0.00 C ATOM 121 NZ LYS A 8 -1.992 16.551 13.955 1.00 0.00 N ATOM 0 H LYS A 8 -0.066 12.727 8.695 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.678 13.374 9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.623 12.868 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.033 14.429 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.918 15.583 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.671 14.044 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.699 13.441 13.393 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.023 15.000 13.045 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.710 14.591 14.366 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.238 15.014 15.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.743 17.129 14.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.402 16.832 13.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.994 16.697 13.720 1.00 0.00 H new ATOM 135 N VAL A 9 -0.982 15.879 8.313 1.00 0.00 N ATOM 136 CA VAL A 9 -1.149 17.273 7.809 1.00 0.00 C ATOM 137 C VAL A 9 -2.258 17.315 6.751 1.00 0.00 C ATOM 138 O VAL A 9 -3.101 18.191 6.757 1.00 0.00 O ATOM 139 CB VAL A 9 0.168 17.735 7.177 1.00 0.00 C ATOM 140 CG1 VAL A 9 -0.042 19.064 6.444 1.00 0.00 C ATOM 141 CG2 VAL A 9 1.231 17.912 8.268 1.00 0.00 C ATOM 0 H VAL A 9 -0.073 15.457 8.124 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.418 17.929 8.637 1.00 0.00 H new ATOM 0 HB VAL A 9 0.503 16.982 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.899 19.386 5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.789 18.934 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.385 19.819 7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.166 18.241 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.894 18.659 8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.389 16.962 8.779 1.00 0.00 H new ATOM 151 N GLU A 10 -2.249 16.389 5.832 1.00 0.00 N ATOM 152 CA GLU A 10 -3.286 16.384 4.760 1.00 0.00 C ATOM 153 C GLU A 10 -4.681 16.232 5.374 1.00 0.00 C ATOM 154 O GLU A 10 -5.625 16.870 4.951 1.00 0.00 O ATOM 155 CB GLU A 10 -3.014 15.206 3.818 1.00 0.00 C ATOM 156 CG GLU A 10 -1.887 15.549 2.836 1.00 0.00 C ATOM 157 CD GLU A 10 -0.540 15.518 3.558 1.00 0.00 C ATOM 158 OE1 GLU A 10 -0.163 16.535 4.117 1.00 0.00 O ATOM 159 OE2 GLU A 10 0.094 14.476 3.532 1.00 0.00 O ATOM 0 H GLU A 10 -1.566 15.633 5.777 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.245 17.325 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.742 14.324 4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.921 14.957 3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.883 14.837 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.056 16.536 2.405 1.00 0.00 H new ATOM 166 N ARG A 11 -4.827 15.397 6.359 1.00 0.00 N ATOM 167 CA ARG A 11 -6.171 15.223 6.969 1.00 0.00 C ATOM 168 C ARG A 11 -6.643 16.579 7.495 1.00 0.00 C ATOM 169 O ARG A 11 -7.783 16.968 7.316 1.00 0.00 O ATOM 170 CB ARG A 11 -6.084 14.228 8.125 1.00 0.00 C ATOM 171 CG ARG A 11 -5.836 12.817 7.581 1.00 0.00 C ATOM 172 CD ARG A 11 -6.065 11.797 8.699 1.00 0.00 C ATOM 173 NE ARG A 11 -7.539 11.642 8.917 1.00 0.00 N ATOM 174 CZ ARG A 11 -8.030 11.432 10.114 1.00 0.00 C ATOM 175 NH1 ARG A 11 -7.245 11.337 11.152 1.00 0.00 N ATOM 176 NH2 ARG A 11 -9.323 11.310 10.268 1.00 0.00 N ATOM 0 H ARG A 11 -4.082 14.832 6.766 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.873 14.844 6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.279 14.513 8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.008 14.247 8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.505 12.614 6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.818 12.735 7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.620 10.838 8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.581 12.129 9.617 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.172 11.701 8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.235 11.426 11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.641 11.173 12.078 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.942 11.378 9.460 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.713 11.146 11.196 1.00 0.00 H new ATOM 190 N ILE A 12 -5.764 17.305 8.128 1.00 0.00 N ATOM 191 CA ILE A 12 -6.133 18.647 8.651 1.00 0.00 C ATOM 192 C ILE A 12 -6.433 19.578 7.471 1.00 0.00 C ATOM 193 O ILE A 12 -7.383 20.336 7.488 1.00 0.00 O ATOM 194 CB ILE A 12 -4.965 19.204 9.465 1.00 0.00 C ATOM 195 CG1 ILE A 12 -4.783 18.360 10.730 1.00 0.00 C ATOM 196 CG2 ILE A 12 -5.255 20.653 9.858 1.00 0.00 C ATOM 197 CD1 ILE A 12 -3.447 18.708 11.392 1.00 0.00 C ATOM 0 H ILE A 12 -4.800 17.023 8.306 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.015 18.572 9.287 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.056 19.169 8.865 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.603 18.545 11.424 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.811 17.300 10.479 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.420 21.047 10.438 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.387 21.254 8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.164 20.692 10.458 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.319 18.106 12.292 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.632 18.501 10.698 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.437 19.765 11.658 1.00 0.00 H new ATOM 209 N ARG A 13 -5.618 19.531 6.448 1.00 0.00 N ATOM 210 CA ARG A 13 -5.842 20.415 5.265 1.00 0.00 C ATOM 211 C ARG A 13 -7.203 20.099 4.643 1.00 0.00 C ATOM 212 O ARG A 13 -7.962 20.984 4.299 1.00 0.00 O ATOM 213 CB ARG A 13 -4.746 20.151 4.223 1.00 0.00 C ATOM 214 CG ARG A 13 -4.888 21.130 3.048 1.00 0.00 C ATOM 215 CD ARG A 13 -3.936 20.728 1.917 1.00 0.00 C ATOM 216 NE ARG A 13 -2.526 20.982 2.322 1.00 0.00 N ATOM 217 CZ ARG A 13 -1.554 20.732 1.486 1.00 0.00 C ATOM 218 NH1 ARG A 13 -1.812 20.259 0.297 1.00 0.00 N ATOM 219 NH2 ARG A 13 -0.319 20.961 1.840 1.00 0.00 N ATOM 0 H ARG A 13 -4.806 18.917 6.381 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.814 21.458 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.763 20.261 4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.816 19.125 3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.916 21.131 2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.665 22.144 3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.069 19.673 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.171 21.293 1.015 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.319 21.350 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.777 20.083 0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.049 20.066 -0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.115 21.334 2.767 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.442 20.767 1.190 1.00 0.00 H new ATOM 233 N LEU A 14 -7.515 18.843 4.485 1.00 0.00 N ATOM 234 CA LEU A 14 -8.822 18.463 3.878 1.00 0.00 C ATOM 235 C LEU A 14 -9.838 18.256 4.997 1.00 0.00 C ATOM 236 O LEU A 14 -10.993 17.974 4.751 1.00 0.00 O ATOM 237 CB LEU A 14 -8.644 17.164 3.085 1.00 0.00 C ATOM 238 CG LEU A 14 -7.603 17.366 1.973 1.00 0.00 C ATOM 239 CD1 LEU A 14 -7.379 16.037 1.241 1.00 0.00 C ATOM 240 CD2 LEU A 14 -8.093 18.431 0.973 1.00 0.00 C ATOM 0 H LEU A 14 -6.919 18.060 4.751 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.174 19.247 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.326 16.362 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.597 16.859 2.652 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.667 17.704 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.641 16.177 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.018 15.289 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.319 15.700 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.347 18.565 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.033 18.106 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.246 19.376 1.494 1.00 0.00 H new ATOM 252 N SER A 15 -9.403 18.397 6.228 1.00 0.00 N ATOM 253 CA SER A 15 -10.312 18.213 7.401 1.00 0.00 C ATOM 254 C SER A 15 -11.309 17.079 7.130 1.00 0.00 C ATOM 255 O SER A 15 -12.502 17.293 7.044 1.00 0.00 O ATOM 256 CB SER A 15 -11.064 19.519 7.674 1.00 0.00 C ATOM 257 OG SER A 15 -11.487 19.538 9.032 1.00 0.00 O ATOM 0 H SER A 15 -8.441 18.635 6.471 1.00 0.00 H new ATOM 0 HA SER A 15 -9.717 17.949 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.419 20.374 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.925 19.603 7.011 1.00 0.00 H new ATOM 0 HG SER A 15 -11.968 20.373 9.213 1.00 0.00 H new ATOM 263 N LEU A 16 -10.813 15.875 6.982 1.00 0.00 N ATOM 264 CA LEU A 16 -11.708 14.706 6.700 1.00 0.00 C ATOM 265 C LEU A 16 -11.809 13.826 7.945 1.00 0.00 C ATOM 266 O LEU A 16 -10.827 13.540 8.601 1.00 0.00 O ATOM 267 CB LEU A 16 -11.119 13.898 5.544 1.00 0.00 C ATOM 268 CG LEU A 16 -10.985 14.799 4.311 1.00 0.00 C ATOM 269 CD1 LEU A 16 -10.315 14.013 3.180 1.00 0.00 C ATOM 270 CD2 LEU A 16 -12.374 15.285 3.853 1.00 0.00 C ATOM 0 H LEU A 16 -9.820 15.649 7.045 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.704 15.059 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.144 13.499 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.760 13.046 5.318 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.376 15.666 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.218 14.651 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.326 13.685 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.923 13.143 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.265 15.924 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.995 14.426 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.845 15.850 4.657 1.00 0.00 H new ATOM 282 N THR A 17 -12.997 13.410 8.280 1.00 0.00 N ATOM 283 CA THR A 17 -13.177 12.563 9.490 1.00 0.00 C ATOM 284 C THR A 17 -12.872 11.100 9.167 1.00 0.00 C ATOM 285 O THR A 17 -12.916 10.675 8.028 1.00 0.00 O ATOM 286 CB THR A 17 -14.625 12.686 9.972 1.00 0.00 C ATOM 287 OG1 THR A 17 -15.502 12.582 8.857 1.00 0.00 O ATOM 288 CG2 THR A 17 -14.822 14.039 10.656 1.00 0.00 C ATOM 0 H THR A 17 -13.853 13.621 7.767 1.00 0.00 H new ATOM 0 HA THR A 17 -12.492 12.900 10.268 1.00 0.00 H new ATOM 0 HB THR A 17 -14.843 11.888 10.682 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.430 12.659 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.853 14.127 10.999 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.148 14.117 11.509 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.606 14.839 9.948 1.00 0.00 H new ATOM 296 N ALA A 18 -12.571 10.328 10.174 1.00 0.00 N ATOM 297 CA ALA A 18 -12.267 8.888 9.962 1.00 0.00 C ATOM 298 C ALA A 18 -13.547 8.141 9.574 1.00 0.00 C ATOM 299 O ALA A 18 -13.533 7.249 8.751 1.00 0.00 O ATOM 300 CB ALA A 18 -11.712 8.307 11.260 1.00 0.00 C ATOM 0 H ALA A 18 -12.523 10.638 11.144 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.535 8.780 9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.485 7.250 11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.802 8.840 11.537 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.452 8.415 12.053 1.00 0.00 H new ATOM 306 N LYS A 19 -14.651 8.496 10.171 1.00 0.00 N ATOM 307 CA LYS A 19 -15.933 7.804 9.849 1.00 0.00 C ATOM 308 C LYS A 19 -16.304 8.055 8.385 1.00 0.00 C ATOM 309 O LYS A 19 -16.660 7.148 7.660 1.00 0.00 O ATOM 310 CB LYS A 19 -17.041 8.350 10.750 1.00 0.00 C ATOM 311 CG LYS A 19 -18.333 7.568 10.506 1.00 0.00 C ATOM 312 CD LYS A 19 -19.419 8.057 11.467 1.00 0.00 C ATOM 313 CE LYS A 19 -20.702 7.254 11.243 1.00 0.00 C ATOM 314 NZ LYS A 19 -21.180 7.458 9.845 1.00 0.00 N ATOM 0 H LYS A 19 -14.722 9.236 10.869 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.816 6.733 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.746 8.268 11.796 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.201 9.409 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.660 7.699 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.158 6.502 10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.083 7.945 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.610 9.118 11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.517 6.195 11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.469 7.569 11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.218 7.528 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.772 8.335 9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.884 6.653 9.256 1.00 0.00 H new ATOM 328 N SER A 20 -16.228 9.281 7.948 1.00 0.00 N ATOM 329 CA SER A 20 -16.579 9.593 6.535 1.00 0.00 C ATOM 330 C SER A 20 -15.641 8.830 5.599 1.00 0.00 C ATOM 331 O SER A 20 -16.060 8.229 4.629 1.00 0.00 O ATOM 332 CB SER A 20 -16.416 11.093 6.307 1.00 0.00 C ATOM 333 OG SER A 20 -16.406 11.357 4.911 1.00 0.00 O ATOM 0 H SER A 20 -15.937 10.081 8.509 1.00 0.00 H new ATOM 0 HA SER A 20 -17.609 9.297 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.231 11.636 6.786 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.489 11.443 6.762 1.00 0.00 H new ATOM 0 HG SER A 20 -16.303 12.320 4.761 1.00 0.00 H new ATOM 339 N VAL A 21 -14.371 8.849 5.889 1.00 0.00 N ATOM 340 CA VAL A 21 -13.390 8.126 5.033 1.00 0.00 C ATOM 341 C VAL A 21 -13.628 6.617 5.146 1.00 0.00 C ATOM 342 O VAL A 21 -13.587 5.897 4.169 1.00 0.00 O ATOM 343 CB VAL A 21 -11.974 8.458 5.502 1.00 0.00 C ATOM 344 CG1 VAL A 21 -10.964 7.601 4.741 1.00 0.00 C ATOM 345 CG2 VAL A 21 -11.683 9.941 5.247 1.00 0.00 C ATOM 0 H VAL A 21 -13.967 9.338 6.688 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.512 8.433 3.994 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.891 8.250 6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.956 7.841 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.168 6.547 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.047 7.803 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.673 10.176 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.770 10.151 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.399 10.552 5.797 1.00 0.00 H new ATOM 355 N ALA A 22 -13.860 6.137 6.336 1.00 0.00 N ATOM 356 CA ALA A 22 -14.086 4.677 6.528 1.00 0.00 C ATOM 357 C ALA A 22 -15.316 4.232 5.730 1.00 0.00 C ATOM 358 O ALA A 22 -15.331 3.172 5.137 1.00 0.00 O ATOM 359 CB ALA A 22 -14.317 4.400 8.014 1.00 0.00 C ATOM 0 H ALA A 22 -13.903 6.696 7.188 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.214 4.124 6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.483 3.333 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.442 4.714 8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -15.191 4.955 8.356 1.00 0.00 H new ATOM 365 N GLU A 23 -16.346 5.032 5.707 1.00 0.00 N ATOM 366 CA GLU A 23 -17.568 4.648 4.945 1.00 0.00 C ATOM 367 C GLU A 23 -17.228 4.508 3.457 1.00 0.00 C ATOM 368 O GLU A 23 -17.557 3.524 2.824 1.00 0.00 O ATOM 369 CB GLU A 23 -18.638 5.732 5.122 1.00 0.00 C ATOM 370 CG GLU A 23 -19.287 5.605 6.502 1.00 0.00 C ATOM 371 CD GLU A 23 -20.407 6.642 6.632 1.00 0.00 C ATOM 372 OE1 GLU A 23 -20.341 7.648 5.946 1.00 0.00 O ATOM 373 OE2 GLU A 23 -21.320 6.405 7.408 1.00 0.00 O ATOM 0 H GLU A 23 -16.395 5.933 6.182 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.943 3.696 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.189 6.719 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.396 5.637 4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.688 4.601 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.542 5.758 7.283 1.00 0.00 H new ATOM 380 N GLU A 24 -16.579 5.488 2.893 1.00 0.00 N ATOM 381 CA GLU A 24 -16.223 5.419 1.447 1.00 0.00 C ATOM 382 C GLU A 24 -15.134 4.367 1.224 1.00 0.00 C ATOM 383 O GLU A 24 -15.183 3.593 0.288 1.00 0.00 O ATOM 384 CB GLU A 24 -15.714 6.793 1.001 1.00 0.00 C ATOM 385 CG GLU A 24 -15.145 6.718 -0.429 1.00 0.00 C ATOM 386 CD GLU A 24 -13.668 6.313 -0.388 1.00 0.00 C ATOM 387 OE1 GLU A 24 -12.915 6.967 0.315 1.00 0.00 O ATOM 388 OE2 GLU A 24 -13.314 5.362 -1.064 1.00 0.00 O ATOM 0 H GLU A 24 -16.279 6.337 3.372 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.101 5.140 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.527 7.518 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.943 7.143 1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.712 5.996 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.252 7.684 -0.922 1.00 0.00 H new ATOM 395 N MET A 25 -14.150 4.337 2.074 1.00 0.00 N ATOM 396 CA MET A 25 -13.051 3.346 1.922 1.00 0.00 C ATOM 397 C MET A 25 -13.602 1.932 2.129 1.00 0.00 C ATOM 398 O MET A 25 -13.222 0.999 1.448 1.00 0.00 O ATOM 399 CB MET A 25 -11.974 3.638 2.968 1.00 0.00 C ATOM 400 CG MET A 25 -11.161 4.868 2.552 1.00 0.00 C ATOM 401 SD MET A 25 -10.183 4.492 1.074 1.00 0.00 S ATOM 402 CE MET A 25 -9.058 3.290 1.830 1.00 0.00 C ATOM 0 H MET A 25 -14.058 4.962 2.875 1.00 0.00 H new ATOM 0 HA MET A 25 -12.623 3.418 0.922 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.436 3.809 3.940 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.316 2.776 3.075 1.00 0.00 H new ATOM 0 HG2 MET A 25 -11.829 5.706 2.353 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.503 5.172 3.366 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.033 3.519 1.540 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.148 3.340 2.915 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.316 2.287 1.490 1.00 0.00 H new ATOM 412 N GLY A 26 -14.495 1.764 3.067 1.00 0.00 N ATOM 413 CA GLY A 26 -15.067 0.410 3.322 1.00 0.00 C ATOM 414 C GLY A 26 -14.172 -0.344 4.309 1.00 0.00 C ATOM 415 O GLY A 26 -14.064 -1.553 4.258 1.00 0.00 O ATOM 0 H GLY A 26 -14.853 2.506 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.076 0.500 3.725 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.145 -0.146 2.387 1.00 0.00 H new ATOM 419 N ILE A 27 -13.524 0.366 5.207 1.00 0.00 N ATOM 420 CA ILE A 27 -12.622 -0.295 6.209 1.00 0.00 C ATOM 421 C ILE A 27 -13.037 0.098 7.626 1.00 0.00 C ATOM 422 O ILE A 27 -13.804 1.017 7.832 1.00 0.00 O ATOM 423 CB ILE A 27 -11.173 0.139 5.964 1.00 0.00 C ATOM 424 CG1 ILE A 27 -11.059 1.664 6.064 1.00 0.00 C ATOM 425 CG2 ILE A 27 -10.737 -0.319 4.573 1.00 0.00 C ATOM 426 CD1 ILE A 27 -9.592 2.074 5.947 1.00 0.00 C ATOM 0 H ILE A 27 -13.582 1.381 5.289 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.703 -1.376 6.099 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.529 -0.314 6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.644 2.136 5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.469 2.009 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.706 -0.012 4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.808 -1.405 4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.385 0.132 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.511 3.159 6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.020 1.614 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.197 1.743 4.987 1.00 0.00 H new ATOM 438 N SER A 28 -12.536 -0.603 8.603 1.00 0.00 N ATOM 439 CA SER A 28 -12.898 -0.291 10.009 1.00 0.00 C ATOM 440 C SER A 28 -12.203 0.999 10.460 1.00 0.00 C ATOM 441 O SER A 28 -11.236 1.442 9.872 1.00 0.00 O ATOM 442 CB SER A 28 -12.447 -1.445 10.900 1.00 0.00 C ATOM 443 OG SER A 28 -11.092 -1.762 10.606 1.00 0.00 O ATOM 0 H SER A 28 -11.888 -1.382 8.486 1.00 0.00 H new ATOM 0 HA SER A 28 -13.977 -0.155 10.084 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.549 -1.171 11.950 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.081 -2.316 10.735 1.00 0.00 H new ATOM 0 HG SER A 28 -10.798 -2.502 11.177 1.00 0.00 H new ATOM 449 N ARG A 29 -12.695 1.596 11.509 1.00 0.00 N ATOM 450 CA ARG A 29 -12.086 2.852 12.030 1.00 0.00 C ATOM 451 C ARG A 29 -10.669 2.556 12.531 1.00 0.00 C ATOM 452 O ARG A 29 -9.756 3.339 12.355 1.00 0.00 O ATOM 453 CB ARG A 29 -12.945 3.351 13.192 1.00 0.00 C ATOM 454 CG ARG A 29 -14.300 3.827 12.661 1.00 0.00 C ATOM 455 CD ARG A 29 -15.234 4.126 13.838 1.00 0.00 C ATOM 456 NE ARG A 29 -15.502 2.863 14.593 1.00 0.00 N ATOM 457 CZ ARG A 29 -16.260 1.928 14.080 1.00 0.00 C ATOM 458 NH1 ARG A 29 -16.811 2.091 12.908 1.00 0.00 N ATOM 459 NH2 ARG A 29 -16.472 0.825 14.747 1.00 0.00 N ATOM 0 H ARG A 29 -13.503 1.263 12.034 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.037 3.607 11.245 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.088 2.553 13.920 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.438 4.166 13.708 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.170 4.720 12.050 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.740 3.064 12.019 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.781 4.867 14.497 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.170 4.551 13.475 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.090 2.729 15.516 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.652 2.952 12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.401 1.357 12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.047 0.695 15.665 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.062 0.094 14.350 1.00 0.00 H new ATOM 473 N GLN A 30 -10.480 1.427 13.157 1.00 0.00 N ATOM 474 CA GLN A 30 -9.129 1.070 13.675 1.00 0.00 C ATOM 475 C GLN A 30 -8.167 0.885 12.500 1.00 0.00 C ATOM 476 O GLN A 30 -7.019 1.275 12.555 1.00 0.00 O ATOM 477 CB GLN A 30 -9.224 -0.241 14.461 1.00 0.00 C ATOM 478 CG GLN A 30 -7.865 -0.586 15.082 1.00 0.00 C ATOM 479 CD GLN A 30 -7.480 0.486 16.102 1.00 0.00 C ATOM 480 OE1 GLN A 30 -8.319 0.973 16.831 1.00 0.00 O ATOM 481 NE2 GLN A 30 -6.239 0.877 16.182 1.00 0.00 N ATOM 0 H GLN A 30 -11.207 0.733 13.333 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.763 1.865 14.325 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.977 -0.150 15.244 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.545 -1.047 13.801 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.912 -1.562 15.565 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.104 -0.652 14.304 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.535 0.467 15.569 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.972 1.593 16.858 1.00 0.00 H new ATOM 490 N GLN A 31 -8.627 0.278 11.443 1.00 0.00 N ATOM 491 CA GLN A 31 -7.739 0.051 10.270 1.00 0.00 C ATOM 492 C GLN A 31 -7.269 1.397 9.723 1.00 0.00 C ATOM 493 O GLN A 31 -6.112 1.579 9.399 1.00 0.00 O ATOM 494 CB GLN A 31 -8.535 -0.692 9.193 1.00 0.00 C ATOM 495 CG GLN A 31 -7.623 -1.055 8.020 1.00 0.00 C ATOM 496 CD GLN A 31 -6.563 -2.051 8.489 1.00 0.00 C ATOM 497 OE1 GLN A 31 -5.338 -1.931 8.060 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 -6.854 -2.945 9.257 1.00 0.00 N flip ATOM 0 H GLN A 31 -9.580 -0.071 11.340 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.871 -0.539 10.564 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.975 -1.596 9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.358 -0.069 8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.210 -1.487 7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.146 -0.158 7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.813 -3.038 9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.140 -3.603 9.567 1.00 0.00 H new ATOM 507 N LEU A 32 -8.157 2.341 9.619 1.00 0.00 N ATOM 508 CA LEU A 32 -7.767 3.677 9.096 1.00 0.00 C ATOM 509 C LEU A 32 -6.770 4.334 10.052 1.00 0.00 C ATOM 510 O LEU A 32 -5.835 4.988 9.638 1.00 0.00 O ATOM 511 CB LEU A 32 -9.017 4.554 8.964 1.00 0.00 C ATOM 512 CG LEU A 32 -8.630 5.968 8.506 1.00 0.00 C ATOM 513 CD1 LEU A 32 -7.833 5.905 7.193 1.00 0.00 C ATOM 514 CD2 LEU A 32 -9.904 6.788 8.294 1.00 0.00 C ATOM 0 H LEU A 32 -9.140 2.245 9.874 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.299 3.564 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.708 4.109 8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.537 4.604 9.921 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.008 6.436 9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.566 6.915 6.881 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.926 5.320 7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.442 5.435 6.420 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.639 7.794 7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.521 6.311 7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.461 6.844 9.230 1.00 0.00 H new ATOM 526 N CYS A 33 -6.979 4.181 11.328 1.00 0.00 N ATOM 527 CA CYS A 33 -6.063 4.811 12.319 1.00 0.00 C ATOM 528 C CYS A 33 -4.645 4.271 12.132 1.00 0.00 C ATOM 529 O CYS A 33 -3.679 4.995 12.243 1.00 0.00 O ATOM 530 CB CYS A 33 -6.549 4.469 13.727 1.00 0.00 C ATOM 531 SG CYS A 33 -8.159 5.242 14.018 1.00 0.00 S ATOM 0 H CYS A 33 -7.748 3.645 11.730 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.057 5.891 12.175 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.627 3.388 13.843 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.828 4.818 14.466 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.079 4.584 13.377 1.00 0.00 H new ATOM 537 N ASN A 34 -4.518 3.004 11.854 1.00 0.00 N ATOM 538 CA ASN A 34 -3.165 2.405 11.664 1.00 0.00 C ATOM 539 C ASN A 34 -2.477 3.044 10.456 1.00 0.00 C ATOM 540 O ASN A 34 -1.283 3.263 10.458 1.00 0.00 O ATOM 541 CB ASN A 34 -3.312 0.904 11.434 1.00 0.00 C ATOM 542 CG ASN A 34 -1.938 0.294 11.157 1.00 0.00 C ATOM 543 OD1 ASN A 34 -1.010 0.485 11.918 1.00 0.00 O ATOM 544 ND2 ASN A 34 -1.766 -0.433 10.088 1.00 0.00 N ATOM 0 H ASN A 34 -5.296 2.353 11.749 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.560 2.585 12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.761 0.433 12.309 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.981 0.718 10.593 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.852 -0.841 9.891 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.545 -0.593 9.449 1.00 0.00 H new ATOM 551 N ILE A 35 -3.218 3.335 9.425 1.00 0.00 N ATOM 552 CA ILE A 35 -2.606 3.951 8.213 1.00 0.00 C ATOM 553 C ILE A 35 -1.994 5.302 8.588 1.00 0.00 C ATOM 554 O ILE A 35 -0.914 5.647 8.152 1.00 0.00 O ATOM 555 CB ILE A 35 -3.685 4.161 7.147 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.170 2.797 6.630 1.00 0.00 C ATOM 557 CG2 ILE A 35 -3.110 4.968 5.979 1.00 0.00 C ATOM 558 CD1 ILE A 35 -5.420 2.962 5.743 1.00 0.00 C ATOM 0 H ILE A 35 -4.223 3.173 9.368 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.831 3.293 7.821 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.521 4.705 7.587 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.375 2.315 6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.399 2.144 7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.882 5.115 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.767 5.937 6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.271 4.427 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.746 1.984 5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.220 3.423 6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.179 3.596 4.890 1.00 0.00 H new ATOM 570 N GLU A 36 -2.681 6.077 9.374 1.00 0.00 N ATOM 571 CA GLU A 36 -2.145 7.413 9.754 1.00 0.00 C ATOM 572 C GLU A 36 -0.873 7.261 10.594 1.00 0.00 C ATOM 573 O GLU A 36 0.060 8.029 10.454 1.00 0.00 O ATOM 574 CB GLU A 36 -3.212 8.173 10.547 1.00 0.00 C ATOM 575 CG GLU A 36 -2.718 9.596 10.854 1.00 0.00 C ATOM 576 CD GLU A 36 -3.912 10.521 11.106 1.00 0.00 C ATOM 577 OE1 GLU A 36 -4.977 10.013 11.413 1.00 0.00 O ATOM 578 OE2 GLU A 36 -3.740 11.722 10.982 1.00 0.00 O ATOM 0 H GLU A 36 -3.591 5.845 9.771 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.893 7.970 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.140 8.216 9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.432 7.646 11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.066 9.583 11.728 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.125 9.972 10.020 1.00 0.00 H new ATOM 585 N GLN A 37 -0.824 6.278 11.463 1.00 0.00 N ATOM 586 CA GLN A 37 0.391 6.066 12.317 1.00 0.00 C ATOM 587 C GLN A 37 1.121 4.803 11.850 1.00 0.00 C ATOM 588 O GLN A 37 1.909 4.226 12.570 1.00 0.00 O ATOM 589 CB GLN A 37 -0.038 5.921 13.782 1.00 0.00 C ATOM 590 CG GLN A 37 -0.833 4.631 13.964 1.00 0.00 C ATOM 591 CD GLN A 37 -1.441 4.601 15.366 1.00 0.00 C ATOM 592 OE1 GLN A 37 -1.488 5.609 16.041 1.00 0.00 O ATOM 593 NE2 GLN A 37 -1.917 3.480 15.835 1.00 0.00 N ATOM 0 H GLN A 37 -1.578 5.609 11.619 1.00 0.00 H new ATOM 0 HA GLN A 37 1.064 6.919 12.228 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.840 5.912 14.428 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.644 6.777 14.079 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.620 4.567 13.213 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.184 3.768 13.819 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.878 2.633 15.269 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.328 3.451 16.768 1.00 0.00 H new ATOM 602 N SER A 38 0.864 4.373 10.643 1.00 0.00 N ATOM 603 CA SER A 38 1.542 3.156 10.115 1.00 0.00 C ATOM 604 C SER A 38 3.051 3.385 10.074 1.00 0.00 C ATOM 605 O SER A 38 3.830 2.508 10.382 1.00 0.00 O ATOM 606 CB SER A 38 1.040 2.864 8.704 1.00 0.00 C ATOM 607 OG SER A 38 1.943 1.978 8.058 1.00 0.00 O ATOM 0 H SER A 38 0.210 4.816 9.998 1.00 0.00 H new ATOM 0 HA SER A 38 1.319 2.311 10.766 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.045 2.422 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.954 3.791 8.137 1.00 0.00 H new ATOM 0 HG SER A 38 1.622 1.787 7.152 1.00 0.00 H new ATOM 613 N GLU A 39 3.462 4.556 9.677 1.00 0.00 N ATOM 614 CA GLU A 39 4.919 4.865 9.596 1.00 0.00 C ATOM 615 C GLU A 39 5.613 3.850 8.687 1.00 0.00 C ATOM 616 O GLU A 39 5.784 4.068 7.504 1.00 0.00 O ATOM 617 CB GLU A 39 5.548 4.810 11.004 1.00 0.00 C ATOM 618 CG GLU A 39 7.049 5.172 10.953 1.00 0.00 C ATOM 619 CD GLU A 39 7.228 6.692 10.937 1.00 0.00 C ATOM 620 OE1 GLU A 39 6.431 7.359 10.301 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.166 7.162 11.557 1.00 0.00 O ATOM 0 H GLU A 39 2.846 5.321 9.402 1.00 0.00 H new ATOM 0 HA GLU A 39 5.046 5.866 9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.026 5.500 11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.425 3.811 11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.562 4.748 11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.505 4.736 10.064 1.00 0.00 H new ATOM 628 N THR A 40 6.044 2.754 9.242 1.00 0.00 N ATOM 629 CA THR A 40 6.758 1.742 8.430 1.00 0.00 C ATOM 630 C THR A 40 5.874 1.311 7.262 1.00 0.00 C ATOM 631 O THR A 40 5.006 0.471 7.399 1.00 0.00 O ATOM 632 CB THR A 40 7.093 0.546 9.321 1.00 0.00 C ATOM 633 OG1 THR A 40 7.644 1.021 10.543 1.00 0.00 O ATOM 634 CG2 THR A 40 8.110 -0.351 8.624 1.00 0.00 C ATOM 0 H THR A 40 5.930 2.518 10.228 1.00 0.00 H new ATOM 0 HA THR A 40 7.681 2.160 8.028 1.00 0.00 H new ATOM 0 HB THR A 40 6.187 -0.027 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.860 0.260 11.122 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.344 -1.201 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.694 -0.710 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.020 0.216 8.426 1.00 0.00 H new ATOM 642 N ALA A 41 6.084 1.892 6.114 1.00 0.00 N ATOM 643 CA ALA A 41 5.253 1.534 4.935 1.00 0.00 C ATOM 644 C ALA A 41 5.751 0.208 4.336 1.00 0.00 C ATOM 645 O ALA A 41 6.916 -0.123 4.437 1.00 0.00 O ATOM 646 CB ALA A 41 5.373 2.648 3.892 1.00 0.00 C ATOM 0 H ALA A 41 6.797 2.601 5.943 1.00 0.00 H new ATOM 0 HA ALA A 41 4.212 1.419 5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.768 2.398 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.022 3.587 4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.415 2.754 3.591 1.00 0.00 H new ATOM 652 N PRO A 42 4.877 -0.548 3.716 1.00 0.00 N ATOM 653 CA PRO A 42 5.244 -1.857 3.096 1.00 0.00 C ATOM 654 C PRO A 42 6.186 -1.706 1.889 1.00 0.00 C ATOM 655 O PRO A 42 6.194 -0.702 1.204 1.00 0.00 O ATOM 656 CB PRO A 42 3.889 -2.464 2.681 1.00 0.00 C ATOM 657 CG PRO A 42 2.956 -1.300 2.554 1.00 0.00 C ATOM 658 CD PRO A 42 3.446 -0.245 3.545 1.00 0.00 C ATOM 0 HA PRO A 42 5.800 -2.487 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.973 -3.005 1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.532 -3.175 3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.959 -0.909 1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.931 -1.597 2.778 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.296 0.764 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.910 -0.308 4.492 1.00 0.00 H new ATOM 666 N VAL A 43 6.981 -2.710 1.640 1.00 0.00 N ATOM 667 CA VAL A 43 7.938 -2.671 0.497 1.00 0.00 C ATOM 668 C VAL A 43 7.174 -2.594 -0.831 1.00 0.00 C ATOM 669 O VAL A 43 7.687 -2.115 -1.824 1.00 0.00 O ATOM 670 CB VAL A 43 8.794 -3.941 0.528 1.00 0.00 C ATOM 671 CG1 VAL A 43 7.904 -5.171 0.346 1.00 0.00 C ATOM 672 CG2 VAL A 43 9.823 -3.893 -0.600 1.00 0.00 C ATOM 0 H VAL A 43 7.009 -3.569 2.189 1.00 0.00 H new ATOM 0 HA VAL A 43 8.574 -1.790 0.583 1.00 0.00 H new ATOM 0 HB VAL A 43 9.305 -4.002 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.518 -6.071 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.170 -5.212 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.388 -5.108 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 43 10.431 -4.797 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.309 -3.826 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.464 -3.021 -0.471 1.00 0.00 H new ATOM 682 N VAL A 44 5.967 -3.090 -0.870 1.00 0.00 N ATOM 683 CA VAL A 44 5.192 -3.070 -2.147 1.00 0.00 C ATOM 684 C VAL A 44 5.141 -1.639 -2.696 1.00 0.00 C ATOM 685 O VAL A 44 5.146 -1.424 -3.892 1.00 0.00 O ATOM 686 CB VAL A 44 3.769 -3.576 -1.879 1.00 0.00 C ATOM 687 CG1 VAL A 44 2.975 -2.524 -1.088 1.00 0.00 C ATOM 688 CG2 VAL A 44 3.069 -3.867 -3.209 1.00 0.00 C ATOM 0 H VAL A 44 5.483 -3.508 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 44 5.675 -3.715 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 44 3.820 -4.492 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.966 -2.893 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.472 -2.333 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.923 -1.599 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.058 -4.226 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.023 -2.954 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.627 -4.628 -3.755 1.00 0.00 H new ATOM 698 N VAL A 45 5.097 -0.662 -1.834 1.00 0.00 N ATOM 699 CA VAL A 45 5.054 0.749 -2.309 1.00 0.00 C ATOM 700 C VAL A 45 6.350 1.057 -3.064 1.00 0.00 C ATOM 701 O VAL A 45 6.339 1.663 -4.117 1.00 0.00 O ATOM 702 CB VAL A 45 4.924 1.685 -1.106 1.00 0.00 C ATOM 703 CG1 VAL A 45 5.046 3.139 -1.566 1.00 0.00 C ATOM 704 CG2 VAL A 45 3.563 1.474 -0.436 1.00 0.00 C ATOM 0 H VAL A 45 5.089 -0.780 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 45 4.200 0.894 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 45 5.719 1.465 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.953 3.802 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.017 3.291 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.255 3.361 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.472 2.142 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.768 1.690 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.479 0.440 -0.101 1.00 0.00 H new ATOM 714 N LYS A 46 7.463 0.640 -2.529 1.00 0.00 N ATOM 715 CA LYS A 46 8.764 0.897 -3.207 1.00 0.00 C ATOM 716 C LYS A 46 8.789 0.173 -4.557 1.00 0.00 C ATOM 717 O LYS A 46 9.259 0.698 -5.547 1.00 0.00 O ATOM 718 CB LYS A 46 9.900 0.370 -2.329 1.00 0.00 C ATOM 719 CG LYS A 46 10.017 1.226 -1.064 1.00 0.00 C ATOM 720 CD LYS A 46 11.133 0.669 -0.177 1.00 0.00 C ATOM 721 CE LYS A 46 11.210 1.480 1.118 1.00 0.00 C ATOM 722 NZ LYS A 46 11.693 2.858 0.817 1.00 0.00 N ATOM 0 H LYS A 46 7.528 0.130 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 46 8.888 1.968 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.712 -0.669 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.839 0.391 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.231 2.261 -1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.071 1.225 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.942 -0.380 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.086 0.713 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.229 1.523 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.883 0.994 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.986 3.323 1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.503 2.808 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.927 3.405 0.375 1.00 0.00 H new ATOM 736 N TYR A 47 8.289 -1.032 -4.600 1.00 0.00 N ATOM 737 CA TYR A 47 8.283 -1.802 -5.878 1.00 0.00 C ATOM 738 C TYR A 47 7.434 -1.053 -6.910 1.00 0.00 C ATOM 739 O TYR A 47 7.789 -0.953 -8.070 1.00 0.00 O ATOM 740 CB TYR A 47 7.687 -3.186 -5.628 1.00 0.00 C ATOM 741 CG TYR A 47 7.887 -4.047 -6.851 1.00 0.00 C ATOM 742 CD1 TYR A 47 9.107 -4.705 -7.046 1.00 0.00 C ATOM 743 CD2 TYR A 47 6.859 -4.188 -7.790 1.00 0.00 C ATOM 744 CE1 TYR A 47 9.298 -5.504 -8.179 1.00 0.00 C ATOM 745 CE2 TYR A 47 7.050 -4.988 -8.923 1.00 0.00 C ATOM 746 CZ TYR A 47 8.271 -5.646 -9.116 1.00 0.00 C ATOM 747 OH TYR A 47 8.461 -6.432 -10.234 1.00 0.00 O ATOM 0 H TYR A 47 7.882 -1.519 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 47 9.301 -1.909 -6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.163 -3.648 -4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.625 -3.101 -5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.901 -4.596 -6.322 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.918 -3.680 -7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.240 -6.011 -8.329 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.256 -5.098 -9.647 1.00 0.00 H new ATOM 0 HH TYR A 47 8.092 -7.325 -10.072 1.00 0.00 H new ATOM 757 N ILE A 48 6.316 -0.522 -6.494 1.00 0.00 N ATOM 758 CA ILE A 48 5.446 0.226 -7.444 1.00 0.00 C ATOM 759 C ILE A 48 6.221 1.432 -7.979 1.00 0.00 C ATOM 760 O ILE A 48 6.202 1.723 -9.159 1.00 0.00 O ATOM 761 CB ILE A 48 4.186 0.706 -6.710 1.00 0.00 C ATOM 762 CG1 ILE A 48 3.300 -0.502 -6.378 1.00 0.00 C ATOM 763 CG2 ILE A 48 3.416 1.701 -7.584 1.00 0.00 C ATOM 764 CD1 ILE A 48 2.168 -0.071 -5.442 1.00 0.00 C ATOM 0 H ILE A 48 5.968 -0.574 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 48 5.155 -0.421 -8.272 1.00 0.00 H new ATOM 0 HB ILE A 48 4.474 1.206 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.886 -0.924 -7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.896 -1.284 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.524 2.036 -7.055 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.051 2.559 -7.804 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.125 1.217 -8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.541 -0.932 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.590 0.331 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.565 0.696 -5.929 1.00 0.00 H new ATOM 776 N ALA A 49 6.906 2.129 -7.121 1.00 0.00 N ATOM 777 CA ALA A 49 7.687 3.307 -7.577 1.00 0.00 C ATOM 778 C ALA A 49 8.772 2.839 -8.549 1.00 0.00 C ATOM 779 O ALA A 49 9.198 3.567 -9.424 1.00 0.00 O ATOM 780 CB ALA A 49 8.333 3.974 -6.365 1.00 0.00 C ATOM 0 H ALA A 49 6.959 1.933 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 49 7.034 4.021 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.909 4.840 -6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.557 4.294 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.995 3.264 -5.869 1.00 0.00 H new ATOM 786 N PHE A 50 9.229 1.627 -8.389 1.00 0.00 N ATOM 787 CA PHE A 50 10.294 1.104 -9.290 1.00 0.00 C ATOM 788 C PHE A 50 9.770 1.050 -10.732 1.00 0.00 C ATOM 789 O PHE A 50 10.411 1.515 -11.653 1.00 0.00 O ATOM 790 CB PHE A 50 10.683 -0.308 -8.828 1.00 0.00 C ATOM 791 CG PHE A 50 12.059 -0.654 -9.344 1.00 0.00 C ATOM 792 CD1 PHE A 50 13.189 -0.150 -8.690 1.00 0.00 C ATOM 793 CD2 PHE A 50 12.208 -1.474 -10.469 1.00 0.00 C ATOM 794 CE1 PHE A 50 14.468 -0.464 -9.159 1.00 0.00 C ATOM 795 CE2 PHE A 50 13.489 -1.787 -10.940 1.00 0.00 C ATOM 796 CZ PHE A 50 14.619 -1.283 -10.284 1.00 0.00 C ATOM 0 H PHE A 50 8.910 0.976 -7.672 1.00 0.00 H new ATOM 0 HA PHE A 50 11.165 1.759 -9.253 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.669 -0.361 -7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.955 -1.033 -9.192 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.073 0.482 -7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.336 -1.865 -10.973 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.339 -0.075 -8.653 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.606 -2.417 -11.809 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.607 -1.526 -10.646 1.00 0.00 H new ATOM 806 N LEU A 51 8.610 0.483 -10.927 1.00 0.00 N ATOM 807 CA LEU A 51 8.037 0.390 -12.304 1.00 0.00 C ATOM 808 C LEU A 51 7.466 1.754 -12.706 1.00 0.00 C ATOM 809 O LEU A 51 7.297 2.056 -13.876 1.00 0.00 O ATOM 810 CB LEU A 51 6.920 -0.657 -12.313 1.00 0.00 C ATOM 811 CG LEU A 51 7.474 -2.020 -11.872 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.329 -3.036 -11.821 1.00 0.00 C ATOM 813 CD2 LEU A 51 8.552 -2.502 -12.862 1.00 0.00 C ATOM 0 H LEU A 51 8.032 0.079 -10.191 1.00 0.00 H new ATOM 0 HA LEU A 51 8.814 0.100 -13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.116 -0.349 -11.645 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.492 -0.735 -13.312 1.00 0.00 H new ATOM 0 HG LEU A 51 7.924 -1.922 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.717 -4.006 -11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.576 -2.700 -11.109 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.879 -3.127 -12.810 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.937 -3.469 -12.538 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.116 -2.599 -13.856 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.367 -1.779 -12.893 1.00 0.00 H new ATOM 825 N ARG A 52 7.160 2.574 -11.740 1.00 0.00 N ATOM 826 CA ARG A 52 6.597 3.916 -12.048 1.00 0.00 C ATOM 827 C ARG A 52 7.634 4.696 -12.854 1.00 0.00 C ATOM 828 O ARG A 52 7.318 5.364 -13.819 1.00 0.00 O ATOM 829 CB ARG A 52 6.298 4.646 -10.737 1.00 0.00 C ATOM 830 CG ARG A 52 5.372 5.835 -11.005 1.00 0.00 C ATOM 831 CD ARG A 52 5.048 6.542 -9.684 1.00 0.00 C ATOM 832 NE ARG A 52 3.826 7.383 -9.854 1.00 0.00 N ATOM 833 CZ ARG A 52 3.905 8.609 -10.294 1.00 0.00 C ATOM 834 NH1 ARG A 52 5.059 9.128 -10.609 1.00 0.00 N ATOM 835 NH2 ARG A 52 2.814 9.316 -10.422 1.00 0.00 N ATOM 0 H ARG A 52 7.276 2.371 -10.747 1.00 0.00 H new ATOM 0 HA ARG A 52 5.675 3.824 -12.622 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.831 3.962 -10.028 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.227 4.992 -10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.848 6.532 -11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.453 5.493 -11.481 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.889 5.806 -8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.889 7.163 -9.376 1.00 0.00 H new ATOM 0 HE ARG A 52 2.913 6.992 -9.622 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.910 8.575 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.110 10.087 -10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.911 8.909 -10.179 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.865 10.275 -10.765 1.00 0.00 H new ATOM 849 N SER A 53 8.872 4.613 -12.457 1.00 0.00 N ATOM 850 CA SER A 53 9.949 5.334 -13.186 1.00 0.00 C ATOM 851 C SER A 53 9.975 4.863 -14.640 1.00 0.00 C ATOM 852 O SER A 53 10.283 5.613 -15.544 1.00 0.00 O ATOM 853 CB SER A 53 11.295 5.031 -12.530 1.00 0.00 C ATOM 854 OG SER A 53 11.205 5.280 -11.134 1.00 0.00 O ATOM 0 H SER A 53 9.186 4.072 -11.652 1.00 0.00 H new ATOM 0 HA SER A 53 9.761 6.407 -13.152 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.574 3.992 -12.708 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.075 5.651 -12.972 1.00 0.00 H new ATOM 0 HG SER A 53 12.067 5.085 -10.711 1.00 0.00 H new ATOM 860 N LYS A 54 9.664 3.617 -14.871 1.00 0.00 N ATOM 861 CA LYS A 54 9.679 3.091 -16.262 1.00 0.00 C ATOM 862 C LYS A 54 8.437 3.609 -16.995 1.00 0.00 C ATOM 863 O LYS A 54 8.209 3.309 -18.150 1.00 0.00 O ATOM 864 CB LYS A 54 9.667 1.554 -16.212 1.00 0.00 C ATOM 865 CG LYS A 54 11.095 1.015 -16.037 1.00 0.00 C ATOM 866 CD LYS A 54 11.649 1.443 -14.676 1.00 0.00 C ATOM 867 CE LYS A 54 13.013 0.790 -14.448 1.00 0.00 C ATOM 868 NZ LYS A 54 13.567 1.235 -13.139 1.00 0.00 N ATOM 0 H LYS A 54 9.400 2.941 -14.154 1.00 0.00 H new ATOM 0 HA LYS A 54 10.573 3.423 -16.790 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.040 1.215 -15.388 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.231 1.157 -17.129 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.095 -0.072 -16.114 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.735 1.391 -16.835 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.743 2.528 -14.635 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.959 1.153 -13.884 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.915 -0.295 -14.463 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.696 1.059 -15.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.532 1.598 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.966 1.987 -12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.590 0.430 -12.480 1.00 0.00 H new ATOM 882 N GLY A 55 7.640 4.403 -16.331 1.00 0.00 N ATOM 883 CA GLY A 55 6.426 4.960 -16.987 1.00 0.00 C ATOM 884 C GLY A 55 5.470 3.831 -17.375 1.00 0.00 C ATOM 885 O GLY A 55 4.767 3.916 -18.362 1.00 0.00 O ATOM 0 H GLY A 55 7.779 4.689 -15.362 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.925 5.654 -16.312 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.710 5.526 -17.874 1.00 0.00 H new ATOM 889 N VAL A 56 5.427 2.770 -16.615 1.00 0.00 N ATOM 890 CA VAL A 56 4.502 1.657 -16.967 1.00 0.00 C ATOM 891 C VAL A 56 3.064 2.175 -16.927 1.00 0.00 C ATOM 892 O VAL A 56 2.174 1.608 -17.524 1.00 0.00 O ATOM 893 CB VAL A 56 4.672 0.521 -15.960 1.00 0.00 C ATOM 894 CG1 VAL A 56 3.599 -0.543 -16.200 1.00 0.00 C ATOM 895 CG2 VAL A 56 6.060 -0.100 -16.127 1.00 0.00 C ATOM 0 H VAL A 56 5.986 2.627 -15.774 1.00 0.00 H new ATOM 0 HA VAL A 56 4.728 1.286 -17.967 1.00 0.00 H new ATOM 0 HB VAL A 56 4.568 0.912 -14.948 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.722 -1.353 -15.481 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.612 -0.098 -16.080 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.698 -0.938 -17.211 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.184 -0.911 -15.410 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.164 -0.491 -17.139 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.822 0.659 -15.952 1.00 0.00 H new ATOM 905 N ASP A 57 2.843 3.249 -16.224 1.00 0.00 N ATOM 906 CA ASP A 57 1.475 3.834 -16.133 1.00 0.00 C ATOM 907 C ASP A 57 0.551 2.880 -15.373 1.00 0.00 C ATOM 908 O ASP A 57 -0.186 2.107 -15.957 1.00 0.00 O ATOM 909 CB ASP A 57 0.920 4.103 -17.540 1.00 0.00 C ATOM 910 CG ASP A 57 -0.241 5.090 -17.450 1.00 0.00 C ATOM 911 OD1 ASP A 57 -0.856 5.143 -16.405 1.00 0.00 O ATOM 912 OD2 ASP A 57 -0.492 5.773 -18.429 1.00 0.00 O ATOM 0 H ASP A 57 3.560 3.753 -15.702 1.00 0.00 H new ATOM 0 HA ASP A 57 1.528 4.779 -15.593 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.704 4.506 -18.181 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.584 3.171 -17.994 1.00 0.00 H new ATOM 917 N LEU A 58 0.593 2.934 -14.069 1.00 0.00 N ATOM 918 CA LEU A 58 -0.275 2.051 -13.241 1.00 0.00 C ATOM 919 C LEU A 58 -1.580 2.774 -12.924 1.00 0.00 C ATOM 920 O LEU A 58 -2.600 2.152 -12.718 1.00 0.00 O ATOM 921 CB LEU A 58 0.448 1.726 -11.941 1.00 0.00 C ATOM 922 CG LEU A 58 1.661 0.836 -12.233 1.00 0.00 C ATOM 923 CD1 LEU A 58 2.529 0.774 -10.983 1.00 0.00 C ATOM 924 CD2 LEU A 58 1.217 -0.589 -12.618 1.00 0.00 C ATOM 0 H LEU A 58 1.199 3.559 -13.537 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.492 1.132 -13.786 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.769 2.646 -11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.230 1.220 -11.254 1.00 0.00 H new ATOM 0 HG LEU A 58 2.220 1.258 -13.068 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.398 0.144 -11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.860 1.779 -10.720 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.951 0.355 -10.159 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.096 -1.202 -12.821 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.650 -1.028 -11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.591 -0.547 -13.509 1.00 0.00 H new ATOM 936 N ASN A 59 -1.555 4.088 -12.886 1.00 0.00 N ATOM 937 CA ASN A 59 -2.801 4.858 -12.583 1.00 0.00 C ATOM 938 C ASN A 59 -3.963 4.236 -13.361 1.00 0.00 C ATOM 939 O ASN A 59 -5.052 4.063 -12.850 1.00 0.00 O ATOM 940 CB ASN A 59 -2.612 6.322 -13.006 1.00 0.00 C ATOM 941 CG ASN A 59 -1.787 6.383 -14.293 1.00 0.00 C ATOM 942 OD1 ASN A 59 -0.595 6.148 -14.275 1.00 0.00 O ATOM 943 ND2 ASN A 59 -2.375 6.689 -15.418 1.00 0.00 N ATOM 0 H ASN A 59 -0.725 4.657 -13.052 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.014 4.823 -11.515 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.582 6.794 -13.161 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.110 6.878 -12.214 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.834 6.731 -16.282 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.376 6.886 -15.433 1.00 0.00 H new ATOM 950 N ALA A 60 -3.718 3.870 -14.585 1.00 0.00 N ATOM 951 CA ALA A 60 -4.775 3.223 -15.399 1.00 0.00 C ATOM 952 C ALA A 60 -5.035 1.815 -14.844 1.00 0.00 C ATOM 953 O ALA A 60 -6.161 1.368 -14.747 1.00 0.00 O ATOM 954 CB ALA A 60 -4.287 3.127 -16.847 1.00 0.00 C ATOM 0 H ALA A 60 -2.823 3.993 -15.059 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.697 3.804 -15.361 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.054 2.653 -17.459 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.085 4.127 -17.230 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.374 2.532 -16.885 1.00 0.00 H new ATOM 960 N LEU A 61 -3.991 1.112 -14.489 1.00 0.00 N ATOM 961 CA LEU A 61 -4.166 -0.269 -13.952 1.00 0.00 C ATOM 962 C LEU A 61 -4.960 -0.209 -12.644 1.00 0.00 C ATOM 963 O LEU A 61 -5.932 -0.913 -12.455 1.00 0.00 O ATOM 964 CB LEU A 61 -2.778 -0.874 -13.682 1.00 0.00 C ATOM 965 CG LEU A 61 -2.852 -2.407 -13.683 1.00 0.00 C ATOM 966 CD1 LEU A 61 -1.439 -2.981 -13.521 1.00 0.00 C ATOM 967 CD2 LEU A 61 -3.752 -2.901 -12.537 1.00 0.00 C ATOM 0 H LEU A 61 -3.025 1.435 -14.548 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.705 -0.884 -14.673 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.074 -0.537 -14.443 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.402 -0.523 -12.721 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.279 -2.744 -14.628 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.486 -4.070 -13.521 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.813 -2.645 -14.347 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.012 -2.637 -12.579 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.794 -3.990 -12.551 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.344 -2.566 -11.583 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.757 -2.497 -12.663 1.00 0.00 H new ATOM 979 N PHE A 62 -4.549 0.637 -11.744 1.00 0.00 N ATOM 980 CA PHE A 62 -5.261 0.754 -10.446 1.00 0.00 C ATOM 981 C PHE A 62 -6.691 1.237 -10.681 1.00 0.00 C ATOM 982 O PHE A 62 -7.630 0.732 -10.099 1.00 0.00 O ATOM 983 CB PHE A 62 -4.516 1.755 -9.551 1.00 0.00 C ATOM 984 CG PHE A 62 -3.274 1.113 -8.972 1.00 0.00 C ATOM 985 CD1 PHE A 62 -3.391 0.008 -8.118 1.00 0.00 C ATOM 986 CD2 PHE A 62 -2.004 1.624 -9.280 1.00 0.00 C ATOM 987 CE1 PHE A 62 -2.244 -0.583 -7.576 1.00 0.00 C ATOM 988 CE2 PHE A 62 -0.861 1.032 -8.736 1.00 0.00 C ATOM 989 CZ PHE A 62 -0.980 -0.071 -7.885 1.00 0.00 C ATOM 0 H PHE A 62 -3.745 1.256 -11.853 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.292 -0.220 -9.958 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.242 2.638 -10.129 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.170 2.091 -8.746 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.367 -0.388 -7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.910 2.475 -9.938 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.335 -1.435 -6.919 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.116 1.427 -8.973 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.095 -0.528 -7.466 1.00 0.00 H new ATOM 999 N ASP A 63 -6.862 2.211 -11.526 1.00 0.00 N ATOM 1000 CA ASP A 63 -8.226 2.739 -11.794 1.00 0.00 C ATOM 1001 C ASP A 63 -9.170 1.588 -12.149 1.00 0.00 C ATOM 1002 O ASP A 63 -10.327 1.588 -11.776 1.00 0.00 O ATOM 1003 CB ASP A 63 -8.159 3.717 -12.963 1.00 0.00 C ATOM 1004 CG ASP A 63 -9.518 4.393 -13.139 1.00 0.00 C ATOM 1005 OD1 ASP A 63 -10.370 3.799 -13.779 1.00 0.00 O ATOM 1006 OD2 ASP A 63 -9.682 5.492 -12.636 1.00 0.00 O ATOM 0 H ASP A 63 -6.112 2.667 -12.046 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.600 3.246 -10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.389 4.466 -12.781 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.882 3.191 -13.876 1.00 0.00 H new ATOM 1011 N ARG A 64 -8.695 0.613 -12.870 1.00 0.00 N ATOM 1012 CA ARG A 64 -9.578 -0.527 -13.244 1.00 0.00 C ATOM 1013 C ARG A 64 -9.866 -1.384 -12.007 1.00 0.00 C ATOM 1014 O ARG A 64 -10.700 -2.267 -12.038 1.00 0.00 O ATOM 1015 CB ARG A 64 -8.895 -1.379 -14.315 1.00 0.00 C ATOM 1016 CG ARG A 64 -8.808 -0.587 -15.625 1.00 0.00 C ATOM 1017 CD ARG A 64 -8.202 -1.465 -16.725 1.00 0.00 C ATOM 1018 NE ARG A 64 -8.108 -0.669 -17.984 1.00 0.00 N ATOM 1019 CZ ARG A 64 -8.032 -1.267 -19.144 1.00 0.00 C ATOM 1020 NH1 ARG A 64 -8.049 -2.569 -19.219 1.00 0.00 N ATOM 1021 NH2 ARG A 64 -7.946 -0.555 -20.235 1.00 0.00 N ATOM 0 H ARG A 64 -7.737 0.555 -13.216 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.517 -0.140 -13.639 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.897 -1.665 -13.984 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.455 -2.301 -14.472 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.801 -0.249 -15.923 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.198 0.305 -15.481 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.214 -1.815 -16.426 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.819 -2.349 -16.884 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.103 0.350 -17.939 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.122 -3.128 -18.369 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.989 -3.028 -20.128 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.938 0.463 -20.180 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.886 -1.017 -21.142 1.00 0.00 H new ATOM 1035 N ILE A 65 -9.183 -1.132 -10.920 1.00 0.00 N ATOM 1036 CA ILE A 65 -9.416 -1.928 -9.674 1.00 0.00 C ATOM 1037 C ILE A 65 -10.332 -1.139 -8.733 1.00 0.00 C ATOM 1038 O ILE A 65 -11.169 -1.698 -8.051 1.00 0.00 O ATOM 1039 CB ILE A 65 -8.075 -2.189 -8.982 1.00 0.00 C ATOM 1040 CG1 ILE A 65 -7.180 -3.019 -9.913 1.00 0.00 C ATOM 1041 CG2 ILE A 65 -8.314 -2.954 -7.677 1.00 0.00 C ATOM 1042 CD1 ILE A 65 -5.785 -3.171 -9.299 1.00 0.00 C ATOM 0 H ILE A 65 -8.471 -0.406 -10.840 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.886 -2.878 -9.927 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.586 -1.241 -8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.623 -4.001 -10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.107 -2.536 -10.887 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.360 -3.140 -7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.952 -2.363 -7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.800 -3.905 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.156 -3.761 -9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.340 -2.186 -9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.864 -3.674 -8.335 1.00 0.00 H new ATOM 1054 N ILE A 66 -10.174 0.154 -8.688 1.00 0.00 N ATOM 1055 CA ILE A 66 -11.027 0.987 -7.793 1.00 0.00 C ATOM 1056 C ILE A 66 -12.484 0.899 -8.270 1.00 0.00 C ATOM 1057 O ILE A 66 -13.403 0.762 -7.486 1.00 0.00 O ATOM 1058 CB ILE A 66 -10.544 2.455 -7.866 1.00 0.00 C ATOM 1059 CG1 ILE A 66 -9.287 2.656 -6.993 1.00 0.00 C ATOM 1060 CG2 ILE A 66 -11.649 3.411 -7.385 1.00 0.00 C ATOM 1061 CD1 ILE A 66 -8.058 2.097 -7.711 1.00 0.00 C ATOM 0 H ILE A 66 -9.487 0.673 -9.235 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.958 0.630 -6.765 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.301 2.676 -8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.145 3.716 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -9.417 2.156 -6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -11.291 4.439 -7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -12.530 3.297 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -11.910 3.176 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.175 2.243 -7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.199 1.032 -7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.923 2.617 -8.659 1.00 0.00 H new ATOM 1073 N VAL A 67 -12.692 1.004 -9.548 1.00 0.00 N ATOM 1074 CA VAL A 67 -14.075 0.960 -10.095 1.00 0.00 C ATOM 1075 C VAL A 67 -14.856 -0.218 -9.506 1.00 0.00 C ATOM 1076 O VAL A 67 -14.302 -1.245 -9.164 1.00 0.00 O ATOM 1077 CB VAL A 67 -14.003 0.831 -11.616 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -13.431 2.125 -12.202 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -13.093 -0.342 -11.990 1.00 0.00 C ATOM 0 H VAL A 67 -11.957 1.120 -10.246 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.595 1.879 -9.824 1.00 0.00 H new ATOM 0 HB VAL A 67 -15.002 0.654 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -13.377 2.040 -13.287 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -14.077 2.962 -11.935 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.432 2.296 -11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.043 -0.432 -13.075 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.093 -0.167 -11.594 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.494 -1.263 -11.567 1.00 0.00 H new ATOM 1089 N ASN A 68 -16.148 -0.064 -9.383 1.00 0.00 N ATOM 1090 CA ASN A 68 -16.985 -1.155 -8.813 1.00 0.00 C ATOM 1091 C ASN A 68 -17.136 -2.282 -9.837 1.00 0.00 C ATOM 1092 O ASN A 68 -17.690 -2.098 -10.904 1.00 0.00 O ATOM 1093 CB ASN A 68 -18.364 -0.590 -8.458 1.00 0.00 C ATOM 1094 CG ASN A 68 -19.066 -1.523 -7.467 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -18.989 -2.728 -7.589 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -19.755 -1.009 -6.484 1.00 0.00 N ATOM 0 H ASN A 68 -16.660 0.775 -9.655 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.508 -1.554 -7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.259 0.404 -8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -18.967 -0.482 -9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.228 -1.620 -5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.820 0.004 -6.381 1.00 0.00 H new ATOM 1103 N LYS A 69 -16.643 -3.449 -9.513 1.00 0.00 N ATOM 1104 CA LYS A 69 -16.740 -4.610 -10.446 1.00 0.00 C ATOM 1105 C LYS A 69 -17.123 -5.859 -9.648 1.00 0.00 C ATOM 1106 O LYS A 69 -17.590 -6.838 -10.193 1.00 0.00 O ATOM 1107 CB LYS A 69 -15.379 -4.821 -11.110 1.00 0.00 C ATOM 1108 CG LYS A 69 -15.480 -5.928 -12.156 1.00 0.00 C ATOM 1109 CD LYS A 69 -14.135 -6.082 -12.868 1.00 0.00 C ATOM 1110 CE LYS A 69 -14.242 -7.184 -13.920 1.00 0.00 C ATOM 1111 NZ LYS A 69 -15.262 -6.798 -14.938 1.00 0.00 N ATOM 0 H LYS A 69 -16.172 -3.649 -8.631 1.00 0.00 H new ATOM 0 HA LYS A 69 -17.495 -4.421 -11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.045 -3.895 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.635 -5.085 -10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.761 -6.868 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.261 -5.690 -12.878 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.850 -5.141 -13.339 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.355 -6.327 -12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.275 -7.341 -14.399 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.521 -8.126 -13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.098 -7.334 -15.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.213 -7.011 -14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.187 -5.780 -15.136 1.00 0.00 H new ATOM 1125 N LEU A 70 -16.921 -5.827 -8.358 1.00 0.00 N ATOM 1126 CA LEU A 70 -17.258 -7.002 -7.505 1.00 0.00 C ATOM 1127 C LEU A 70 -16.523 -8.239 -8.025 1.00 0.00 C ATOM 1128 O LEU A 70 -16.975 -8.914 -8.930 1.00 0.00 O ATOM 1129 CB LEU A 70 -18.772 -7.249 -7.526 1.00 0.00 C ATOM 1130 CG LEU A 70 -19.512 -5.975 -7.097 1.00 0.00 C ATOM 1131 CD1 LEU A 70 -21.023 -6.224 -7.141 1.00 0.00 C ATOM 1132 CD2 LEU A 70 -19.097 -5.576 -5.670 1.00 0.00 C ATOM 0 H LEU A 70 -16.533 -5.029 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.947 -6.801 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -19.088 -7.545 -8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -19.025 -8.071 -6.856 1.00 0.00 H new ATOM 0 HG LEU A 70 -19.253 -5.166 -7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -21.550 -5.320 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -21.318 -6.492 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -21.278 -7.038 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -19.628 -4.671 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -19.345 -6.382 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -18.023 -5.392 -5.642 1.00 0.00 H new ATOM 1144 N GLU A 71 -15.383 -8.532 -7.450 1.00 0.00 N ATOM 1145 CA GLU A 71 -14.580 -9.719 -7.879 1.00 0.00 C ATOM 1146 C GLU A 71 -14.639 -10.782 -6.782 1.00 0.00 C ATOM 1147 O GLU A 71 -14.619 -11.967 -7.049 1.00 0.00 O ATOM 1148 CB GLU A 71 -13.129 -9.279 -8.088 1.00 0.00 C ATOM 1149 CG GLU A 71 -13.054 -8.340 -9.295 1.00 0.00 C ATOM 1150 CD GLU A 71 -11.623 -7.823 -9.455 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -10.774 -8.239 -8.685 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -11.401 -7.018 -10.346 1.00 0.00 O ATOM 0 H GLU A 71 -14.969 -7.991 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.978 -10.131 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.758 -8.774 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.493 -10.149 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.364 -8.866 -10.198 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.741 -7.504 -9.161 1.00 0.00 H new ATOM 1159 N HIS A 72 -14.721 -10.366 -5.548 1.00 0.00 N ATOM 1160 CA HIS A 72 -14.792 -11.345 -4.428 1.00 0.00 C ATOM 1161 C HIS A 72 -15.104 -10.593 -3.127 1.00 0.00 C ATOM 1162 O HIS A 72 -15.640 -9.503 -3.152 1.00 0.00 O ATOM 1163 CB HIS A 72 -13.454 -12.099 -4.311 1.00 0.00 C ATOM 1164 CG HIS A 72 -12.425 -11.256 -3.602 1.00 0.00 C ATOM 1165 ND1 HIS A 72 -11.759 -11.433 -2.414 1.00 0.00 N flip ATOM 1166 CD2 HIS A 72 -11.968 -10.052 -4.118 1.00 0.00 C flip ATOM 1167 CE1 HIS A 72 -10.905 -10.359 -2.198 1.00 0.00 C flip ATOM 1168 NE2 HIS A 72 -11.066 -9.555 -3.251 1.00 0.00 N flip ATOM 0 H HIS A 72 -14.742 -9.386 -5.267 1.00 0.00 H new ATOM 0 HA HIS A 72 -15.581 -12.073 -4.618 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -13.603 -13.032 -3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -13.092 -12.363 -5.305 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.279 -9.596 -5.046 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.248 -10.206 -1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.568 -8.675 -3.382 1.00 0.00 H new ATOM 1176 N HIS A 73 -14.772 -11.165 -1.993 1.00 0.00 N ATOM 1177 CA HIS A 73 -15.048 -10.477 -0.691 1.00 0.00 C ATOM 1178 C HIS A 73 -13.842 -10.633 0.242 1.00 0.00 C ATOM 1179 O HIS A 73 -13.105 -11.596 0.165 1.00 0.00 O ATOM 1180 CB HIS A 73 -16.286 -11.102 -0.046 1.00 0.00 C ATOM 1181 CG HIS A 73 -17.336 -11.321 -1.100 1.00 0.00 C ATOM 1182 ND1 HIS A 73 -17.391 -12.174 -2.175 1.00 0.00 N flip ATOM 1183 CD2 HIS A 73 -18.522 -10.599 -1.128 1.00 0.00 C flip ATOM 1184 CE1 HIS A 73 -18.588 -11.986 -2.856 1.00 0.00 C flip ATOM 1185 NE2 HIS A 73 -19.233 -11.028 -2.187 1.00 0.00 N flip ATOM 0 H HIS A 73 -14.323 -12.077 -1.913 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.225 -9.416 -0.868 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -16.025 -12.049 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -16.671 -10.450 0.738 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -18.820 -9.833 -0.427 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -18.925 -12.506 -3.741 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -20.151 -10.666 -2.446 1.00 0.00 H new ATOM 1193 N HIS A 74 -13.633 -9.683 1.122 1.00 0.00 N ATOM 1194 CA HIS A 74 -12.472 -9.759 2.062 1.00 0.00 C ATOM 1195 C HIS A 74 -12.948 -10.220 3.442 1.00 0.00 C ATOM 1196 O HIS A 74 -13.756 -9.572 4.079 1.00 0.00 O ATOM 1197 CB HIS A 74 -11.847 -8.369 2.192 1.00 0.00 C ATOM 1198 CG HIS A 74 -11.673 -7.762 0.827 1.00 0.00 C ATOM 1199 ND1 HIS A 74 -12.538 -7.072 0.014 1.00 0.00 N flip ATOM 1200 CD2 HIS A 74 -10.471 -7.823 0.137 1.00 0.00 C flip ATOM 1201 CE1 HIS A 74 -11.883 -6.710 -1.158 1.00 0.00 C flip ATOM 1202 NE2 HIS A 74 -10.641 -7.184 -1.034 1.00 0.00 N flip ATOM 0 H HIS A 74 -14.220 -8.855 1.229 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.740 -10.469 1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.482 -7.730 2.806 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -10.883 -8.439 2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -9.563 -8.298 0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -12.293 -6.161 -1.993 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -9.912 -7.075 -1.739 1.00 0.00 H new ATOM 1210 N HIS A 75 -12.440 -11.332 3.914 1.00 0.00 N ATOM 1211 CA HIS A 75 -12.839 -11.850 5.259 1.00 0.00 C ATOM 1212 C HIS A 75 -11.678 -11.637 6.236 1.00 0.00 C ATOM 1213 O HIS A 75 -11.825 -11.793 7.431 1.00 0.00 O ATOM 1214 CB HIS A 75 -13.150 -13.344 5.138 1.00 0.00 C ATOM 1215 CG HIS A 75 -13.516 -13.900 6.484 1.00 0.00 C ATOM 1216 ND1 HIS A 75 -14.714 -13.590 7.114 1.00 0.00 N ATOM 1217 CD2 HIS A 75 -12.858 -14.757 7.331 1.00 0.00 C ATOM 1218 CE1 HIS A 75 -14.740 -14.252 8.284 1.00 0.00 C ATOM 1219 NE2 HIS A 75 -13.634 -14.976 8.463 1.00 0.00 N ATOM 0 H HIS A 75 -11.759 -11.908 3.419 1.00 0.00 H new ATOM 0 HA HIS A 75 -13.721 -11.323 5.625 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -13.969 -13.498 4.436 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -12.285 -13.873 4.739 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -11.888 -15.193 7.146 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -15.555 -14.204 8.991 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -13.406 -15.566 9.263 1.00 0.00 H new ATOM 1227 N HIS A 76 -10.525 -11.274 5.723 1.00 0.00 N ATOM 1228 CA HIS A 76 -9.325 -11.034 6.587 1.00 0.00 C ATOM 1229 C HIS A 76 -9.272 -12.054 7.734 1.00 0.00 C ATOM 1230 O HIS A 76 -9.836 -11.845 8.792 1.00 0.00 O ATOM 1231 CB HIS A 76 -9.382 -9.614 7.162 1.00 0.00 C ATOM 1232 CG HIS A 76 -8.064 -9.279 7.810 1.00 0.00 C ATOM 1233 ND1 HIS A 76 -6.925 -9.001 7.065 1.00 0.00 N ATOM 1234 CD2 HIS A 76 -7.687 -9.166 9.126 1.00 0.00 C ATOM 1235 CE1 HIS A 76 -5.928 -8.736 7.930 1.00 0.00 C ATOM 1236 NE2 HIS A 76 -6.340 -8.824 9.195 1.00 0.00 N ATOM 0 H HIS A 76 -10.363 -11.132 4.726 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.428 -11.148 5.978 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -9.602 -8.898 6.370 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -10.188 -9.538 7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.336 -9.319 9.976 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.920 -8.484 7.636 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.784 -8.672 10.037 1.00 0.00 H new ATOM 1244 N HIS A 77 -8.603 -13.158 7.528 1.00 0.00 N ATOM 1245 CA HIS A 77 -8.509 -14.195 8.599 1.00 0.00 C ATOM 1246 C HIS A 77 -7.306 -13.894 9.495 1.00 0.00 C ATOM 1247 O HIS A 77 -6.189 -14.083 9.039 1.00 0.00 O ATOM 1248 CB HIS A 77 -8.332 -15.570 7.946 1.00 0.00 C ATOM 1249 CG HIS A 77 -8.067 -16.605 9.005 1.00 0.00 C ATOM 1250 ND1 HIS A 77 -8.132 -16.308 10.359 1.00 0.00 N ATOM 1251 CD2 HIS A 77 -7.734 -17.936 8.927 1.00 0.00 C ATOM 1252 CE1 HIS A 77 -7.843 -17.435 11.037 1.00 0.00 C ATOM 1253 NE2 HIS A 77 -7.594 -18.453 10.211 1.00 0.00 N ATOM 1254 OXT HIS A 77 -7.520 -13.481 10.623 1.00 0.00 O ATOM 0 H HIS A 77 -8.116 -13.387 6.662 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.417 -14.188 9.202 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.227 -15.833 7.383 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.505 -15.542 7.236 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.602 -18.494 8.012 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -7.816 -17.506 12.114 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.352 -19.410 10.467 1.00 0.00 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 -9.640 -9.405 -13.690 1.00 0.00 N ATOM 1264 CA MET B 1 -8.155 -9.467 -13.777 1.00 0.00 C ATOM 1265 C MET B 1 -7.557 -9.326 -12.375 1.00 0.00 C ATOM 1266 O MET B 1 -7.738 -8.326 -11.707 1.00 0.00 O ATOM 1267 CB MET B 1 -7.658 -8.336 -14.681 1.00 0.00 C ATOM 1268 CG MET B 1 -8.248 -8.513 -16.086 1.00 0.00 C ATOM 1269 SD MET B 1 -7.651 -10.060 -16.821 1.00 0.00 S ATOM 1270 CE MET B 1 -5.929 -9.567 -17.088 1.00 0.00 C ATOM 0 H1 MET B 1 -10.056 -9.857 -14.529 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.959 -9.903 -12.834 1.00 0.00 H new ATOM 0 H3 MET B 1 -9.944 -8.411 -13.646 1.00 0.00 H new ATOM 0 HA MET B 1 -7.846 -10.424 -14.198 1.00 0.00 H new ATOM 0 HB2 MET B 1 -7.952 -7.370 -14.270 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.569 -8.344 -14.728 1.00 0.00 H new ATOM 0 HG2 MET B 1 -9.337 -8.522 -16.033 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.967 -7.669 -16.716 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.519 -10.120 -17.933 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.885 -8.498 -17.298 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.345 -9.785 -16.194 1.00 0.00 H new ATOM 1282 N GLU B 2 -6.866 -10.335 -11.917 1.00 0.00 N ATOM 1283 CA GLU B 2 -6.274 -10.284 -10.551 1.00 0.00 C ATOM 1284 C GLU B 2 -5.058 -9.356 -10.522 1.00 0.00 C ATOM 1285 O GLU B 2 -4.365 -9.180 -11.504 1.00 0.00 O ATOM 1286 CB GLU B 2 -5.854 -11.693 -10.132 1.00 0.00 C ATOM 1287 CG GLU B 2 -7.105 -12.550 -9.943 1.00 0.00 C ATOM 1288 CD GLU B 2 -6.702 -13.967 -9.533 1.00 0.00 C ATOM 1289 OE1 GLU B 2 -5.514 -14.212 -9.406 1.00 0.00 O ATOM 1290 OE2 GLU B 2 -7.591 -14.783 -9.350 1.00 0.00 O ATOM 0 H GLU B 2 -6.686 -11.196 -12.433 1.00 0.00 H new ATOM 0 HA GLU B 2 -7.021 -9.896 -9.858 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -5.207 -12.134 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -5.280 -11.655 -9.206 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.748 -12.109 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -7.681 -12.579 -10.868 1.00 0.00 H new ATOM 1297 N LEU B 3 -4.800 -8.761 -9.389 1.00 0.00 N ATOM 1298 CA LEU B 3 -3.635 -7.839 -9.263 1.00 0.00 C ATOM 1299 C LEU B 3 -2.333 -8.615 -9.485 1.00 0.00 C ATOM 1300 O LEU B 3 -1.430 -8.154 -10.154 1.00 0.00 O ATOM 1301 CB LEU B 3 -3.635 -7.246 -7.849 1.00 0.00 C ATOM 1302 CG LEU B 3 -2.471 -6.256 -7.680 1.00 0.00 C ATOM 1303 CD1 LEU B 3 -2.629 -5.078 -8.658 1.00 0.00 C ATOM 1304 CD2 LEU B 3 -2.461 -5.738 -6.236 1.00 0.00 C ATOM 0 H LEU B 3 -5.351 -8.875 -8.538 1.00 0.00 H new ATOM 0 HA LEU B 3 -3.709 -7.046 -10.007 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -4.581 -6.739 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -3.550 -8.046 -7.113 1.00 0.00 H new ATOM 0 HG LEU B 3 -1.530 -6.762 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -1.799 -4.384 -8.529 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -2.633 -5.453 -9.682 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -3.568 -4.562 -8.457 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -1.638 -5.035 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -3.404 -5.235 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -2.333 -6.575 -5.550 1.00 0.00 H new ATOM 1316 N SER B 4 -2.222 -9.781 -8.911 1.00 0.00 N ATOM 1317 CA SER B 4 -0.974 -10.580 -9.070 1.00 0.00 C ATOM 1318 C SER B 4 -0.808 -11.016 -10.528 1.00 0.00 C ATOM 1319 O SER B 4 0.280 -11.009 -11.068 1.00 0.00 O ATOM 1320 CB SER B 4 -1.061 -11.810 -8.171 1.00 0.00 C ATOM 1321 OG SER B 4 -2.200 -12.574 -8.540 1.00 0.00 O ATOM 0 H SER B 4 -2.944 -10.216 -8.337 1.00 0.00 H new ATOM 0 HA SER B 4 -0.114 -9.973 -8.789 1.00 0.00 H new ATOM 0 HB2 SER B 4 -0.157 -12.411 -8.268 1.00 0.00 H new ATOM 0 HB3 SER B 4 -1.133 -11.508 -7.126 1.00 0.00 H new ATOM 0 HG SER B 4 -2.261 -13.367 -7.968 1.00 0.00 H new ATOM 1327 N ASN B 5 -1.876 -11.402 -11.167 1.00 0.00 N ATOM 1328 CA ASN B 5 -1.778 -11.844 -12.586 1.00 0.00 C ATOM 1329 C ASN B 5 -1.345 -10.673 -13.472 1.00 0.00 C ATOM 1330 O ASN B 5 -0.474 -10.801 -14.308 1.00 0.00 O ATOM 1331 CB ASN B 5 -3.148 -12.353 -13.038 1.00 0.00 C ATOM 1332 CG ASN B 5 -3.131 -12.630 -14.541 1.00 0.00 C ATOM 1333 OD1 ASN B 5 -3.905 -12.059 -15.282 1.00 0.00 O ATOM 1334 ND2 ASN B 5 -2.272 -13.483 -15.030 1.00 0.00 N ATOM 0 H ASN B 5 -2.814 -11.431 -10.768 1.00 0.00 H new ATOM 0 HA ASN B 5 -1.038 -12.639 -12.672 1.00 0.00 H new ATOM 0 HB2 ASN B 5 -3.405 -13.262 -12.495 1.00 0.00 H new ATOM 0 HB3 ASN B 5 -3.915 -11.615 -12.804 1.00 0.00 H new ATOM 0 HD21 ASN B 5 -2.252 -13.669 -16.033 1.00 0.00 H new ATOM 0 HD22 ASN B 5 -1.621 -13.964 -14.409 1.00 0.00 H new ATOM 1341 N GLU B 6 -1.947 -9.531 -13.292 1.00 0.00 N ATOM 1342 CA GLU B 6 -1.575 -8.349 -14.117 1.00 0.00 C ATOM 1343 C GLU B 6 -0.166 -7.892 -13.736 1.00 0.00 C ATOM 1344 O GLU B 6 0.606 -7.451 -14.567 1.00 0.00 O ATOM 1345 CB GLU B 6 -2.581 -7.221 -13.846 1.00 0.00 C ATOM 1346 CG GLU B 6 -3.861 -7.454 -14.660 1.00 0.00 C ATOM 1347 CD GLU B 6 -3.636 -7.013 -16.109 1.00 0.00 C ATOM 1348 OE1 GLU B 6 -3.080 -7.792 -16.865 1.00 0.00 O ATOM 1349 OE2 GLU B 6 -4.035 -5.907 -16.437 1.00 0.00 O ATOM 0 H GLU B 6 -2.684 -9.365 -12.606 1.00 0.00 H new ATOM 0 HA GLU B 6 -1.593 -8.608 -15.176 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -2.818 -7.181 -12.783 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -2.142 -6.259 -14.111 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -4.137 -8.508 -14.629 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -4.688 -6.895 -14.223 1.00 0.00 H new ATOM 1356 N LEU B 7 0.167 -7.982 -12.483 1.00 0.00 N ATOM 1357 CA LEU B 7 1.515 -7.544 -12.037 1.00 0.00 C ATOM 1358 C LEU B 7 2.579 -8.418 -12.711 1.00 0.00 C ATOM 1359 O LEU B 7 3.605 -7.939 -13.152 1.00 0.00 O ATOM 1360 CB LEU B 7 1.608 -7.695 -10.517 1.00 0.00 C ATOM 1361 CG LEU B 7 2.912 -7.066 -10.003 1.00 0.00 C ATOM 1362 CD1 LEU B 7 2.880 -5.532 -10.179 1.00 0.00 C ATOM 1363 CD2 LEU B 7 3.088 -7.417 -8.521 1.00 0.00 C ATOM 0 H LEU B 7 -0.438 -8.341 -11.745 1.00 0.00 H new ATOM 0 HA LEU B 7 1.680 -6.502 -12.311 1.00 0.00 H new ATOM 0 HB2 LEU B 7 0.752 -7.215 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.572 -8.750 -10.246 1.00 0.00 H new ATOM 0 HG LEU B 7 3.750 -7.460 -10.578 1.00 0.00 H new ATOM 0 HD11 LEU B 7 3.812 -5.104 -9.809 1.00 0.00 H new ATOM 0 HD12 LEU B 7 2.763 -5.289 -11.235 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.043 -5.119 -9.617 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.012 -6.974 -8.149 1.00 0.00 H new ATOM 0 HD22 LEU B 7 2.244 -7.027 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU B 7 3.134 -8.500 -8.407 1.00 0.00 H new ATOM 1375 N LYS B 8 2.336 -9.697 -12.790 1.00 0.00 N ATOM 1376 CA LYS B 8 3.320 -10.618 -13.434 1.00 0.00 C ATOM 1377 C LYS B 8 3.450 -10.288 -14.924 1.00 0.00 C ATOM 1378 O LYS B 8 4.520 -10.361 -15.496 1.00 0.00 O ATOM 1379 CB LYS B 8 2.829 -12.070 -13.251 1.00 0.00 C ATOM 1380 CG LYS B 8 3.571 -12.764 -12.098 1.00 0.00 C ATOM 1381 CD LYS B 8 5.030 -13.064 -12.508 1.00 0.00 C ATOM 1382 CE LYS B 8 5.564 -14.248 -11.705 1.00 0.00 C ATOM 1383 NZ LYS B 8 7.050 -14.269 -11.798 1.00 0.00 N ATOM 0 H LYS B 8 1.493 -10.148 -12.434 1.00 0.00 H new ATOM 0 HA LYS B 8 4.299 -10.499 -12.970 1.00 0.00 H new ATOM 0 HB2 LYS B 8 1.757 -12.072 -13.052 1.00 0.00 H new ATOM 0 HB3 LYS B 8 2.983 -12.628 -14.175 1.00 0.00 H new ATOM 0 HG2 LYS B 8 3.558 -12.129 -11.212 1.00 0.00 H new ATOM 0 HG3 LYS B 8 3.062 -13.691 -11.833 1.00 0.00 H new ATOM 0 HD2 LYS B 8 5.079 -13.285 -13.574 1.00 0.00 H new ATOM 0 HD3 LYS B 8 5.653 -12.186 -12.336 1.00 0.00 H new ATOM 0 HE2 LYS B 8 5.254 -14.167 -10.663 1.00 0.00 H new ATOM 0 HE3 LYS B 8 5.150 -15.180 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 7.380 -15.253 -11.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 7.352 -13.745 -12.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 7.457 -13.824 -10.951 1.00 0.00 H new ATOM 1397 N VAL B 9 2.371 -9.945 -15.554 1.00 0.00 N ATOM 1398 CA VAL B 9 2.428 -9.632 -17.004 1.00 0.00 C ATOM 1399 C VAL B 9 3.392 -8.467 -17.230 1.00 0.00 C ATOM 1400 O VAL B 9 4.194 -8.483 -18.143 1.00 0.00 O ATOM 1401 CB VAL B 9 1.027 -9.242 -17.480 1.00 0.00 C ATOM 1402 CG1 VAL B 9 1.093 -8.703 -18.910 1.00 0.00 C ATOM 1403 CG2 VAL B 9 0.108 -10.469 -17.437 1.00 0.00 C ATOM 0 H VAL B 9 1.447 -9.867 -15.128 1.00 0.00 H new ATOM 0 HA VAL B 9 2.777 -10.501 -17.562 1.00 0.00 H new ATOM 0 HB VAL B 9 0.631 -8.468 -16.823 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.092 -8.428 -19.242 1.00 0.00 H new ATOM 0 HG12 VAL B 9 1.739 -7.825 -18.939 1.00 0.00 H new ATOM 0 HG13 VAL B 9 1.495 -9.471 -19.570 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -0.889 -10.189 -17.776 1.00 0.00 H new ATOM 0 HG22 VAL B 9 0.508 -11.246 -18.088 1.00 0.00 H new ATOM 0 HG23 VAL B 9 0.051 -10.845 -16.416 1.00 0.00 H new ATOM 1413 N GLU B 10 3.315 -7.452 -16.419 1.00 0.00 N ATOM 1414 CA GLU B 10 4.222 -6.289 -16.605 1.00 0.00 C ATOM 1415 C GLU B 10 5.678 -6.716 -16.381 1.00 0.00 C ATOM 1416 O GLU B 10 6.563 -6.338 -17.122 1.00 0.00 O ATOM 1417 CB GLU B 10 3.849 -5.195 -15.606 1.00 0.00 C ATOM 1418 CG GLU B 10 2.446 -4.668 -15.924 1.00 0.00 C ATOM 1419 CD GLU B 10 2.195 -3.378 -15.140 1.00 0.00 C ATOM 1420 OE1 GLU B 10 2.577 -3.324 -13.982 1.00 0.00 O ATOM 1421 OE2 GLU B 10 1.631 -2.461 -15.715 1.00 0.00 O ATOM 0 H GLU B 10 2.665 -7.377 -15.637 1.00 0.00 H new ATOM 0 HA GLU B 10 4.118 -5.910 -17.622 1.00 0.00 H new ATOM 0 HB2 GLU B 10 3.879 -5.590 -14.590 1.00 0.00 H new ATOM 0 HB3 GLU B 10 4.574 -4.382 -15.654 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.350 -4.481 -16.993 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.697 -5.416 -15.663 1.00 0.00 H new ATOM 1428 N ARG B 11 5.939 -7.501 -15.370 1.00 0.00 N ATOM 1429 CA ARG B 11 7.344 -7.943 -15.118 1.00 0.00 C ATOM 1430 C ARG B 11 7.845 -8.733 -16.328 1.00 0.00 C ATOM 1431 O ARG B 11 8.952 -8.539 -16.799 1.00 0.00 O ATOM 1432 CB ARG B 11 7.373 -8.848 -13.884 1.00 0.00 C ATOM 1433 CG ARG B 11 8.817 -9.251 -13.563 1.00 0.00 C ATOM 1434 CD ARG B 11 8.816 -10.246 -12.404 1.00 0.00 C ATOM 1435 NE ARG B 11 10.179 -10.851 -12.279 1.00 0.00 N ATOM 1436 CZ ARG B 11 10.333 -12.114 -11.951 1.00 0.00 C ATOM 1437 NH1 ARG B 11 9.298 -12.876 -11.722 1.00 0.00 N ATOM 1438 NH2 ARG B 11 11.535 -12.616 -11.858 1.00 0.00 N ATOM 0 H ARG B 11 5.246 -7.854 -14.711 1.00 0.00 H new ATOM 0 HA ARG B 11 7.980 -7.073 -14.954 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.934 -8.329 -13.032 1.00 0.00 H new ATOM 0 HB3 ARG B 11 6.769 -9.738 -14.061 1.00 0.00 H new ATOM 0 HG2 ARG B 11 9.286 -9.697 -14.440 1.00 0.00 H new ATOM 0 HG3 ARG B 11 9.403 -8.370 -13.301 1.00 0.00 H new ATOM 0 HD2 ARG B 11 8.541 -9.743 -11.477 1.00 0.00 H new ATOM 0 HD3 ARG B 11 8.073 -11.025 -12.577 1.00 0.00 H new ATOM 0 HE ARG B 11 11.002 -10.273 -12.451 1.00 0.00 H new ATOM 0 HH11 ARG B 11 8.356 -12.493 -11.797 1.00 0.00 H new ATOM 0 HH12 ARG B 11 9.432 -13.855 -11.468 1.00 0.00 H new ATOM 0 HH21 ARG B 11 12.349 -12.028 -12.040 1.00 0.00 H new ATOM 0 HH22 ARG B 11 11.660 -13.596 -11.604 1.00 0.00 H new ATOM 1452 N ILE B 12 7.035 -9.623 -16.833 1.00 0.00 N ATOM 1453 CA ILE B 12 7.440 -10.429 -18.016 1.00 0.00 C ATOM 1454 C ILE B 12 7.600 -9.487 -19.206 1.00 0.00 C ATOM 1455 O ILE B 12 8.528 -9.595 -19.982 1.00 0.00 O ATOM 1456 CB ILE B 12 6.365 -11.477 -18.317 1.00 0.00 C ATOM 1457 CG1 ILE B 12 6.333 -12.504 -17.179 1.00 0.00 C ATOM 1458 CG2 ILE B 12 6.698 -12.186 -19.633 1.00 0.00 C ATOM 1459 CD1 ILE B 12 5.061 -13.351 -17.277 1.00 0.00 C ATOM 0 H ILE B 12 6.103 -9.827 -16.473 1.00 0.00 H new ATOM 0 HA ILE B 12 8.381 -10.943 -17.820 1.00 0.00 H new ATOM 0 HB ILE B 12 5.393 -10.992 -18.403 1.00 0.00 H new ATOM 0 HG12 ILE B 12 7.213 -13.146 -17.232 1.00 0.00 H new ATOM 0 HG13 ILE B 12 6.368 -11.994 -16.216 1.00 0.00 H new ATOM 0 HG21 ILE B 12 5.933 -12.932 -19.848 1.00 0.00 H new ATOM 0 HG22 ILE B 12 6.730 -11.456 -20.442 1.00 0.00 H new ATOM 0 HG23 ILE B 12 7.668 -12.675 -19.547 1.00 0.00 H new ATOM 0 HD11 ILE B 12 5.045 -14.079 -16.465 1.00 0.00 H new ATOM 0 HD12 ILE B 12 4.187 -12.704 -17.202 1.00 0.00 H new ATOM 0 HD13 ILE B 12 5.045 -13.874 -18.233 1.00 0.00 H new ATOM 1471 N ARG B 13 6.694 -8.564 -19.353 1.00 0.00 N ATOM 1472 CA ARG B 13 6.778 -7.609 -20.489 1.00 0.00 C ATOM 1473 C ARG B 13 8.135 -6.910 -20.444 1.00 0.00 C ATOM 1474 O ARG B 13 8.811 -6.769 -21.444 1.00 0.00 O ATOM 1475 CB ARG B 13 5.683 -6.550 -20.331 1.00 0.00 C ATOM 1476 CG ARG B 13 5.622 -5.639 -21.580 1.00 0.00 C ATOM 1477 CD ARG B 13 4.650 -6.197 -22.647 1.00 0.00 C ATOM 1478 NE ARG B 13 3.415 -5.361 -22.672 1.00 0.00 N ATOM 1479 CZ ARG B 13 3.479 -4.107 -23.034 1.00 0.00 C ATOM 1480 NH1 ARG B 13 4.631 -3.569 -23.338 1.00 0.00 N ATOM 1481 NH2 ARG B 13 2.393 -3.388 -23.076 1.00 0.00 N ATOM 0 H ARG B 13 5.896 -8.430 -18.732 1.00 0.00 H new ATOM 0 HA ARG B 13 6.655 -8.142 -21.432 1.00 0.00 H new ATOM 0 HB2 ARG B 13 4.719 -7.036 -20.181 1.00 0.00 H new ATOM 0 HB3 ARG B 13 5.878 -5.947 -19.444 1.00 0.00 H new ATOM 0 HG2 ARG B 13 5.305 -4.639 -21.286 1.00 0.00 H new ATOM 0 HG3 ARG B 13 6.619 -5.543 -22.010 1.00 0.00 H new ATOM 0 HD2 ARG B 13 5.126 -6.193 -23.627 1.00 0.00 H new ATOM 0 HD3 ARG B 13 4.398 -7.233 -22.420 1.00 0.00 H new ATOM 0 HE ARG B 13 2.519 -5.769 -22.406 1.00 0.00 H new ATOM 0 HH11 ARG B 13 5.483 -4.128 -23.293 1.00 0.00 H new ATOM 0 HH12 ARG B 13 4.678 -2.590 -23.620 1.00 0.00 H new ATOM 0 HH21 ARG B 13 1.496 -3.804 -22.827 1.00 0.00 H new ATOM 0 HH22 ARG B 13 2.440 -2.409 -23.358 1.00 0.00 H new ATOM 1495 N LEU B 14 8.539 -6.472 -19.286 1.00 0.00 N ATOM 1496 CA LEU B 14 9.850 -5.785 -19.155 1.00 0.00 C ATOM 1497 C LEU B 14 10.900 -6.832 -18.800 1.00 0.00 C ATOM 1498 O LEU B 14 12.070 -6.534 -18.670 1.00 0.00 O ATOM 1499 CB LEU B 14 9.755 -4.740 -18.041 1.00 0.00 C ATOM 1500 CG LEU B 14 8.664 -3.713 -18.378 1.00 0.00 C ATOM 1501 CD1 LEU B 14 8.534 -2.718 -17.219 1.00 0.00 C ATOM 1502 CD2 LEU B 14 9.026 -2.957 -19.671 1.00 0.00 C ATOM 0 H LEU B 14 8.012 -6.562 -18.418 1.00 0.00 H new ATOM 0 HA LEU B 14 10.123 -5.288 -20.086 1.00 0.00 H new ATOM 0 HB2 LEU B 14 9.528 -5.227 -17.093 1.00 0.00 H new ATOM 0 HB3 LEU B 14 10.715 -4.237 -17.919 1.00 0.00 H new ATOM 0 HG LEU B 14 7.717 -4.231 -18.528 1.00 0.00 H new ATOM 0 HD11 LEU B 14 7.761 -1.986 -17.453 1.00 0.00 H new ATOM 0 HD12 LEU B 14 8.264 -3.253 -16.309 1.00 0.00 H new ATOM 0 HD13 LEU B 14 9.485 -2.206 -17.070 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.245 -2.232 -19.899 1.00 0.00 H new ATOM 0 HD22 LEU B 14 9.975 -2.438 -19.535 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.115 -3.666 -20.494 1.00 0.00 H new ATOM 1514 N SER B 15 10.471 -8.064 -18.640 1.00 0.00 N ATOM 1515 CA SER B 15 11.402 -9.179 -18.285 1.00 0.00 C ATOM 1516 C SER B 15 12.488 -8.678 -17.326 1.00 0.00 C ATOM 1517 O SER B 15 13.631 -8.502 -17.703 1.00 0.00 O ATOM 1518 CB SER B 15 12.044 -9.730 -19.559 1.00 0.00 C ATOM 1519 OG SER B 15 11.023 -10.053 -20.495 1.00 0.00 O ATOM 0 H SER B 15 9.496 -8.346 -18.743 1.00 0.00 H new ATOM 0 HA SER B 15 10.840 -9.971 -17.790 1.00 0.00 H new ATOM 0 HB2 SER B 15 12.725 -8.993 -19.985 1.00 0.00 H new ATOM 0 HB3 SER B 15 12.636 -10.616 -19.328 1.00 0.00 H new ATOM 0 HG SER B 15 10.174 -10.179 -20.022 1.00 0.00 H new ATOM 1525 N LEU B 16 12.129 -8.438 -16.090 1.00 0.00 N ATOM 1526 CA LEU B 16 13.126 -7.933 -15.092 1.00 0.00 C ATOM 1527 C LEU B 16 13.591 -9.076 -14.195 1.00 0.00 C ATOM 1528 O LEU B 16 12.815 -9.911 -13.770 1.00 0.00 O ATOM 1529 CB LEU B 16 12.473 -6.843 -14.238 1.00 0.00 C ATOM 1530 CG LEU B 16 11.980 -5.707 -15.143 1.00 0.00 C ATOM 1531 CD1 LEU B 16 11.278 -4.647 -14.289 1.00 0.00 C ATOM 1532 CD2 LEU B 16 13.168 -5.069 -15.890 1.00 0.00 C ATOM 0 H LEU B 16 11.185 -8.570 -15.726 1.00 0.00 H new ATOM 0 HA LEU B 16 13.988 -7.523 -15.618 1.00 0.00 H new ATOM 0 HB2 LEU B 16 11.639 -7.260 -13.674 1.00 0.00 H new ATOM 0 HB3 LEU B 16 13.189 -6.458 -13.512 1.00 0.00 H new ATOM 0 HG LEU B 16 11.280 -6.110 -15.875 1.00 0.00 H new ATOM 0 HD11 LEU B 16 10.926 -3.838 -14.929 1.00 0.00 H new ATOM 0 HD12 LEU B 16 10.429 -5.098 -13.775 1.00 0.00 H new ATOM 0 HD13 LEU B 16 11.978 -4.250 -13.554 1.00 0.00 H new ATOM 0 HD21 LEU B 16 12.806 -4.264 -16.529 1.00 0.00 H new ATOM 0 HD22 LEU B 16 13.878 -4.667 -15.168 1.00 0.00 H new ATOM 0 HD23 LEU B 16 13.661 -5.824 -16.502 1.00 0.00 H new ATOM 1544 N THR B 17 14.864 -9.123 -13.918 1.00 0.00 N ATOM 1545 CA THR B 17 15.407 -10.210 -13.062 1.00 0.00 C ATOM 1546 C THR B 17 15.195 -9.873 -11.586 1.00 0.00 C ATOM 1547 O THR B 17 15.407 -8.757 -11.151 1.00 0.00 O ATOM 1548 CB THR B 17 16.904 -10.364 -13.341 1.00 0.00 C ATOM 1549 OG1 THR B 17 17.512 -9.080 -13.365 1.00 0.00 O ATOM 1550 CG2 THR B 17 17.102 -11.050 -14.694 1.00 0.00 C ATOM 0 H THR B 17 15.555 -8.450 -14.251 1.00 0.00 H new ATOM 0 HA THR B 17 14.888 -11.141 -13.289 1.00 0.00 H new ATOM 0 HB THR B 17 17.362 -10.969 -12.558 1.00 0.00 H new ATOM 0 HG1 THR B 17 18.431 -9.159 -13.697 1.00 0.00 H new ATOM 0 HG21 THR B 17 18.168 -11.160 -14.894 1.00 0.00 H new ATOM 0 HG22 THR B 17 16.633 -12.034 -14.675 1.00 0.00 H new ATOM 0 HG23 THR B 17 16.647 -10.446 -15.478 1.00 0.00 H new ATOM 1558 N ALA B 18 14.778 -10.837 -10.813 1.00 0.00 N ATOM 1559 CA ALA B 18 14.548 -10.600 -9.363 1.00 0.00 C ATOM 1560 C ALA B 18 15.877 -10.266 -8.678 1.00 0.00 C ATOM 1561 O ALA B 18 15.937 -9.458 -7.773 1.00 0.00 O ATOM 1562 CB ALA B 18 13.963 -11.869 -8.746 1.00 0.00 C ATOM 0 H ALA B 18 14.585 -11.788 -11.129 1.00 0.00 H new ATOM 0 HA ALA B 18 13.858 -9.767 -9.229 1.00 0.00 H new ATOM 0 HB1 ALA B 18 13.789 -11.709 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA B 18 13.020 -12.110 -9.236 1.00 0.00 H new ATOM 0 HB3 ALA B 18 14.662 -12.694 -8.880 1.00 0.00 H new ATOM 1568 N LYS B 19 16.940 -10.894 -9.097 1.00 0.00 N ATOM 1569 CA LYS B 19 18.266 -10.627 -8.472 1.00 0.00 C ATOM 1570 C LYS B 19 18.664 -9.166 -8.702 1.00 0.00 C ATOM 1571 O LYS B 19 19.090 -8.477 -7.796 1.00 0.00 O ATOM 1572 CB LYS B 19 19.305 -11.539 -9.120 1.00 0.00 C ATOM 1573 CG LYS B 19 20.652 -11.373 -8.414 1.00 0.00 C ATOM 1574 CD LYS B 19 21.670 -12.337 -9.025 1.00 0.00 C ATOM 1575 CE LYS B 19 23.014 -12.181 -8.311 1.00 0.00 C ATOM 1576 NZ LYS B 19 22.852 -12.525 -6.870 1.00 0.00 N ATOM 0 H LYS B 19 16.948 -11.584 -9.849 1.00 0.00 H new ATOM 0 HA LYS B 19 18.212 -10.818 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS B 19 18.978 -12.577 -9.061 1.00 0.00 H new ATOM 0 HB3 LYS B 19 19.406 -11.296 -10.178 1.00 0.00 H new ATOM 0 HG2 LYS B 19 21.003 -10.346 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS B 19 20.543 -11.571 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS B 19 21.315 -13.363 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS B 19 21.786 -12.133 -10.089 1.00 0.00 H new ATOM 0 HE2 LYS B 19 23.759 -12.831 -8.770 1.00 0.00 H new ATOM 0 HE3 LYS B 19 23.376 -11.158 -8.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 23.776 -12.783 -6.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 22.470 -11.704 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 22.197 -13.328 -6.776 1.00 0.00 H new ATOM 1590 N SER B 20 18.543 -8.696 -9.912 1.00 0.00 N ATOM 1591 CA SER B 20 18.923 -7.287 -10.213 1.00 0.00 C ATOM 1592 C SER B 20 18.032 -6.323 -9.426 1.00 0.00 C ATOM 1593 O SER B 20 18.500 -5.372 -8.831 1.00 0.00 O ATOM 1594 CB SER B 20 18.736 -7.041 -11.707 1.00 0.00 C ATOM 1595 OG SER B 20 19.133 -5.714 -12.020 1.00 0.00 O ATOM 0 H SER B 20 18.196 -9.229 -10.709 1.00 0.00 H new ATOM 0 HA SER B 20 19.962 -7.120 -9.928 1.00 0.00 H new ATOM 0 HB2 SER B 20 19.328 -7.754 -12.281 1.00 0.00 H new ATOM 0 HB3 SER B 20 17.693 -7.195 -11.984 1.00 0.00 H new ATOM 0 HG SER B 20 19.015 -5.555 -12.980 1.00 0.00 H new ATOM 1601 N VAL B 21 16.749 -6.555 -9.429 1.00 0.00 N ATOM 1602 CA VAL B 21 15.819 -5.654 -8.690 1.00 0.00 C ATOM 1603 C VAL B 21 16.053 -5.789 -7.182 1.00 0.00 C ATOM 1604 O VAL B 21 16.076 -4.814 -6.456 1.00 0.00 O ATOM 1605 CB VAL B 21 14.378 -6.038 -9.022 1.00 0.00 C ATOM 1606 CG1 VAL B 21 13.414 -5.216 -8.164 1.00 0.00 C ATOM 1607 CG2 VAL B 21 14.105 -5.769 -10.505 1.00 0.00 C ATOM 0 H VAL B 21 16.302 -7.333 -9.914 1.00 0.00 H new ATOM 0 HA VAL B 21 16.001 -4.621 -8.987 1.00 0.00 H new ATOM 0 HB VAL B 21 14.230 -7.097 -8.813 1.00 0.00 H new ATOM 0 HG11 VAL B 21 12.387 -5.493 -8.404 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.606 -5.414 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL B 21 13.561 -4.155 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL B 21 13.077 -6.043 -10.741 1.00 0.00 H new ATOM 0 HG22 VAL B 21 14.256 -4.710 -10.717 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.788 -6.362 -11.114 1.00 0.00 H new ATOM 1617 N ALA B 22 16.206 -6.993 -6.708 1.00 0.00 N ATOM 1618 CA ALA B 22 16.419 -7.209 -5.248 1.00 0.00 C ATOM 1619 C ALA B 22 17.726 -6.546 -4.806 1.00 0.00 C ATOM 1620 O ALA B 22 17.825 -6.012 -3.718 1.00 0.00 O ATOM 1621 CB ALA B 22 16.498 -8.709 -4.973 1.00 0.00 C ATOM 0 H ALA B 22 16.193 -7.843 -7.272 1.00 0.00 H new ATOM 0 HA ALA B 22 15.590 -6.770 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA B 22 16.654 -8.876 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA B 22 15.568 -9.185 -5.283 1.00 0.00 H new ATOM 0 HB3 ALA B 22 17.329 -9.138 -5.533 1.00 0.00 H new ATOM 1627 N GLU B 23 18.733 -6.588 -5.630 1.00 0.00 N ATOM 1628 CA GLU B 23 20.034 -5.972 -5.246 1.00 0.00 C ATOM 1629 C GLU B 23 19.872 -4.453 -5.140 1.00 0.00 C ATOM 1630 O GLU B 23 20.336 -3.830 -4.204 1.00 0.00 O ATOM 1631 CB GLU B 23 21.077 -6.309 -6.323 1.00 0.00 C ATOM 1632 CG GLU B 23 22.487 -6.197 -5.741 1.00 0.00 C ATOM 1633 CD GLU B 23 22.722 -7.354 -4.769 1.00 0.00 C ATOM 1634 OE1 GLU B 23 22.709 -8.489 -5.217 1.00 0.00 O ATOM 1635 OE2 GLU B 23 22.905 -7.087 -3.592 1.00 0.00 O ATOM 0 H GLU B 23 18.713 -7.022 -6.553 1.00 0.00 H new ATOM 0 HA GLU B 23 20.360 -6.362 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU B 23 20.910 -7.318 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.969 -5.631 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU B 23 23.227 -6.222 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU B 23 22.606 -5.244 -5.226 1.00 0.00 H new ATOM 1642 N GLU B 24 19.222 -3.854 -6.097 1.00 0.00 N ATOM 1643 CA GLU B 24 19.031 -2.376 -6.066 1.00 0.00 C ATOM 1644 C GLU B 24 17.973 -2.007 -5.022 1.00 0.00 C ATOM 1645 O GLU B 24 18.073 -1.001 -4.350 1.00 0.00 O ATOM 1646 CB GLU B 24 18.606 -1.899 -7.456 1.00 0.00 C ATOM 1647 CG GLU B 24 18.487 -0.369 -7.470 1.00 0.00 C ATOM 1648 CD GLU B 24 18.604 0.148 -8.909 1.00 0.00 C ATOM 1649 OE1 GLU B 24 17.970 -0.424 -9.778 1.00 0.00 O ATOM 1650 OE2 GLU B 24 19.335 1.104 -9.114 1.00 0.00 O ATOM 0 H GLU B 24 18.813 -4.326 -6.903 1.00 0.00 H new ATOM 0 HA GLU B 24 19.966 -1.888 -5.790 1.00 0.00 H new ATOM 0 HB2 GLU B 24 19.335 -2.223 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU B 24 17.651 -2.349 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU B 24 17.532 -0.065 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU B 24 19.269 0.071 -6.851 1.00 0.00 H new ATOM 1657 N MET B 25 16.962 -2.817 -4.884 1.00 0.00 N ATOM 1658 CA MET B 25 15.895 -2.526 -3.886 1.00 0.00 C ATOM 1659 C MET B 25 16.493 -2.583 -2.475 1.00 0.00 C ATOM 1660 O MET B 25 16.121 -1.824 -1.601 1.00 0.00 O ATOM 1661 CB MET B 25 14.788 -3.575 -4.024 1.00 0.00 C ATOM 1662 CG MET B 25 13.889 -3.228 -5.215 1.00 0.00 C ATOM 1663 SD MET B 25 12.886 -1.770 -4.818 1.00 0.00 S ATOM 1664 CE MET B 25 11.579 -2.614 -3.884 1.00 0.00 C ATOM 0 H MET B 25 16.828 -3.673 -5.422 1.00 0.00 H new ATOM 0 HA MET B 25 15.480 -1.533 -4.059 1.00 0.00 H new ATOM 0 HB2 MET B 25 15.226 -4.563 -4.163 1.00 0.00 H new ATOM 0 HB3 MET B 25 14.196 -3.615 -3.110 1.00 0.00 H new ATOM 0 HG2 MET B 25 14.498 -3.033 -6.098 1.00 0.00 H new ATOM 0 HG3 MET B 25 13.242 -4.072 -5.453 1.00 0.00 H new ATOM 0 HE1 MET B 25 10.668 -2.646 -4.481 1.00 0.00 H new ATOM 0 HE2 MET B 25 11.896 -3.630 -3.651 1.00 0.00 H new ATOM 0 HE3 MET B 25 11.387 -2.073 -2.957 1.00 0.00 H new ATOM 1674 N GLY B 26 17.415 -3.481 -2.246 1.00 0.00 N ATOM 1675 CA GLY B 26 18.035 -3.594 -0.893 1.00 0.00 C ATOM 1676 C GLY B 26 17.251 -4.604 -0.053 1.00 0.00 C ATOM 1677 O GLY B 26 17.269 -4.555 1.160 1.00 0.00 O ATOM 0 H GLY B 26 17.766 -4.142 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY B 26 19.074 -3.910 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY B 26 18.039 -2.621 -0.401 1.00 0.00 H new ATOM 1681 N ILE B 27 16.559 -5.520 -0.693 1.00 0.00 N ATOM 1682 CA ILE B 27 15.759 -6.545 0.059 1.00 0.00 C ATOM 1683 C ILE B 27 16.178 -7.950 -0.370 1.00 0.00 C ATOM 1684 O ILE B 27 16.847 -8.138 -1.367 1.00 0.00 O ATOM 1685 CB ILE B 27 14.269 -6.345 -0.230 1.00 0.00 C ATOM 1686 CG1 ILE B 27 14.002 -6.484 -1.734 1.00 0.00 C ATOM 1687 CG2 ILE B 27 13.841 -4.954 0.242 1.00 0.00 C ATOM 1688 CD1 ILE B 27 12.504 -6.326 -2.004 1.00 0.00 C ATOM 0 H ILE B 27 16.513 -5.602 -1.709 1.00 0.00 H new ATOM 0 HA ILE B 27 15.942 -6.428 1.127 1.00 0.00 H new ATOM 0 HB ILE B 27 13.696 -7.104 0.303 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.563 -5.729 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE B 27 14.345 -7.457 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE B 27 12.780 -4.811 0.037 1.00 0.00 H new ATOM 0 HG22 ILE B 27 14.019 -4.863 1.314 1.00 0.00 H new ATOM 0 HG23 ILE B 27 14.419 -4.196 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE B 27 12.315 -6.425 -3.073 1.00 0.00 H new ATOM 0 HD12 ILE B 27 11.954 -7.097 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE B 27 12.175 -5.343 -1.667 1.00 0.00 H new ATOM 1700 N SER B 28 15.795 -8.938 0.388 1.00 0.00 N ATOM 1701 CA SER B 28 16.174 -10.331 0.046 1.00 0.00 C ATOM 1702 C SER B 28 15.374 -10.816 -1.167 1.00 0.00 C ATOM 1703 O SER B 28 14.338 -10.278 -1.506 1.00 0.00 O ATOM 1704 CB SER B 28 15.881 -11.230 1.244 1.00 0.00 C ATOM 1705 OG SER B 28 14.499 -11.564 1.256 1.00 0.00 O ATOM 0 H SER B 28 15.233 -8.837 1.233 1.00 0.00 H new ATOM 0 HA SER B 28 17.236 -10.367 -0.199 1.00 0.00 H new ATOM 0 HB2 SER B 28 16.485 -12.136 1.190 1.00 0.00 H new ATOM 0 HB3 SER B 28 16.152 -10.721 2.169 1.00 0.00 H new ATOM 0 HG SER B 28 14.389 -12.508 1.018 1.00 0.00 H new ATOM 1711 N ARG B 29 15.857 -11.837 -1.817 1.00 0.00 N ATOM 1712 CA ARG B 29 15.153 -12.390 -3.007 1.00 0.00 C ATOM 1713 C ARG B 29 13.790 -12.939 -2.578 1.00 0.00 C ATOM 1714 O ARG B 29 12.798 -12.778 -3.262 1.00 0.00 O ATOM 1715 CB ARG B 29 16.005 -13.515 -3.598 1.00 0.00 C ATOM 1716 CG ARG B 29 15.348 -14.053 -4.870 1.00 0.00 C ATOM 1717 CD ARG B 29 16.294 -15.047 -5.551 1.00 0.00 C ATOM 1718 NE ARG B 29 15.602 -15.666 -6.716 1.00 0.00 N ATOM 1719 CZ ARG B 29 16.268 -16.403 -7.564 1.00 0.00 C ATOM 1720 NH1 ARG B 29 17.550 -16.579 -7.414 1.00 0.00 N ATOM 1721 NH2 ARG B 29 15.644 -16.962 -8.566 1.00 0.00 N ATOM 0 H ARG B 29 16.722 -12.318 -1.571 1.00 0.00 H new ATOM 0 HA ARG B 29 15.003 -11.611 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG B 29 17.005 -13.145 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG B 29 16.119 -14.318 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG B 29 14.404 -14.541 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG B 29 15.116 -13.232 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG B 29 17.200 -14.538 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG B 29 16.601 -15.818 -4.844 1.00 0.00 H new ATOM 0 HE ARG B 29 14.603 -15.513 -6.852 1.00 0.00 H new ATOM 0 HH11 ARG B 29 18.037 -16.141 -6.632 1.00 0.00 H new ATOM 0 HH12 ARG B 29 18.067 -17.155 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG B 29 14.641 -16.822 -8.684 1.00 0.00 H new ATOM 0 HH22 ARG B 29 16.160 -17.538 -9.231 1.00 0.00 H new ATOM 1735 N GLN B 30 13.740 -13.593 -1.452 1.00 0.00 N ATOM 1736 CA GLN B 30 12.451 -14.162 -0.967 1.00 0.00 C ATOM 1737 C GLN B 30 11.441 -13.032 -0.744 1.00 0.00 C ATOM 1738 O GLN B 30 10.275 -13.155 -1.062 1.00 0.00 O ATOM 1739 CB GLN B 30 12.697 -14.885 0.356 1.00 0.00 C ATOM 1740 CG GLN B 30 11.396 -15.525 0.843 1.00 0.00 C ATOM 1741 CD GLN B 30 11.663 -16.316 2.123 1.00 0.00 C ATOM 1742 OE1 GLN B 30 12.796 -16.618 2.441 1.00 0.00 O ATOM 1743 NE2 GLN B 30 10.657 -16.669 2.874 1.00 0.00 N ATOM 0 H GLN B 30 14.541 -13.759 -0.843 1.00 0.00 H new ATOM 0 HA GLN B 30 12.056 -14.858 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN B 30 13.463 -15.649 0.227 1.00 0.00 H new ATOM 0 HB3 GLN B 30 13.070 -14.183 1.102 1.00 0.00 H new ATOM 0 HG2 GLN B 30 10.647 -14.755 1.029 1.00 0.00 H new ATOM 0 HG3 GLN B 30 10.992 -16.183 0.074 1.00 0.00 H new ATOM 0 HE21 GLN B 30 9.706 -16.415 2.606 1.00 0.00 H new ATOM 0 HE22 GLN B 30 10.821 -17.199 3.730 1.00 0.00 H new ATOM 1752 N GLN B 31 11.879 -11.934 -0.197 1.00 0.00 N ATOM 1753 CA GLN B 31 10.950 -10.798 0.051 1.00 0.00 C ATOM 1754 C GLN B 31 10.400 -10.297 -1.284 1.00 0.00 C ATOM 1755 O GLN B 31 9.240 -9.955 -1.403 1.00 0.00 O ATOM 1756 CB GLN B 31 11.719 -9.668 0.737 1.00 0.00 C ATOM 1757 CG GLN B 31 12.025 -10.053 2.185 1.00 0.00 C ATOM 1758 CD GLN B 31 10.750 -9.943 3.020 1.00 0.00 C ATOM 1759 OE1 GLN B 31 9.959 -8.919 2.847 1.00 0.00 O flip ATOM 1760 NE2 GLN B 31 10.470 -10.796 3.840 1.00 0.00 N flip ATOM 0 H GLN B 31 12.845 -11.774 0.090 1.00 0.00 H new ATOM 0 HA GLN B 31 10.126 -11.124 0.686 1.00 0.00 H new ATOM 0 HB2 GLN B 31 12.647 -9.469 0.200 1.00 0.00 H new ATOM 0 HB3 GLN B 31 11.133 -8.749 0.712 1.00 0.00 H new ATOM 0 HG2 GLN B 31 12.414 -11.070 2.228 1.00 0.00 H new ATOM 0 HG3 GLN B 31 12.797 -9.399 2.591 1.00 0.00 H new ATOM 0 HE21 GLN B 31 11.088 -11.596 3.975 1.00 0.00 H new ATOM 0 HE22 GLN B 31 9.617 -10.712 4.393 1.00 0.00 H new ATOM 1769 N LEU B 32 11.227 -10.243 -2.288 1.00 0.00 N ATOM 1770 CA LEU B 32 10.757 -9.760 -3.614 1.00 0.00 C ATOM 1771 C LEU B 32 9.696 -10.722 -4.157 1.00 0.00 C ATOM 1772 O LEU B 32 8.704 -10.315 -4.726 1.00 0.00 O ATOM 1773 CB LEU B 32 11.940 -9.710 -4.585 1.00 0.00 C ATOM 1774 CG LEU B 32 11.539 -8.965 -5.872 1.00 0.00 C ATOM 1775 CD1 LEU B 32 11.653 -7.448 -5.668 1.00 0.00 C ATOM 1776 CD2 LEU B 32 12.463 -9.383 -7.022 1.00 0.00 C ATOM 0 H LEU B 32 12.210 -10.513 -2.248 1.00 0.00 H new ATOM 0 HA LEU B 32 10.328 -8.763 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.786 -9.209 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU B 32 12.264 -10.722 -4.828 1.00 0.00 H new ATOM 0 HG LEU B 32 10.507 -9.220 -6.113 1.00 0.00 H new ATOM 0 HD11 LEU B 32 11.366 -6.935 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU B 32 10.992 -7.139 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU B 32 12.682 -7.191 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU B 32 12.176 -8.854 -7.930 1.00 0.00 H new ATOM 0 HD22 LEU B 32 13.494 -9.136 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU B 32 12.377 -10.457 -7.186 1.00 0.00 H new ATOM 1788 N CYS B 33 9.910 -11.998 -3.990 1.00 0.00 N ATOM 1789 CA CYS B 33 8.931 -13.000 -4.499 1.00 0.00 C ATOM 1790 C CYS B 33 7.588 -12.800 -3.794 1.00 0.00 C ATOM 1791 O CYS B 33 6.534 -12.965 -4.379 1.00 0.00 O ATOM 1792 CB CYS B 33 9.462 -14.404 -4.209 1.00 0.00 C ATOM 1793 SG CYS B 33 10.972 -14.686 -5.166 1.00 0.00 S ATOM 0 H CYS B 33 10.725 -12.392 -3.520 1.00 0.00 H new ATOM 0 HA CYS B 33 8.794 -12.875 -5.573 1.00 0.00 H new ATOM 0 HB2 CYS B 33 9.667 -14.514 -3.144 1.00 0.00 H new ATOM 0 HB3 CYS B 33 8.710 -15.150 -4.467 1.00 0.00 H new ATOM 0 HG CYS B 33 11.958 -14.036 -4.622 1.00 0.00 H new ATOM 1799 N ASN B 34 7.619 -12.437 -2.544 1.00 0.00 N ATOM 1800 CA ASN B 34 6.352 -12.211 -1.796 1.00 0.00 C ATOM 1801 C ASN B 34 5.583 -11.065 -2.452 1.00 0.00 C ATOM 1802 O ASN B 34 4.374 -11.099 -2.573 1.00 0.00 O ATOM 1803 CB ASN B 34 6.690 -11.848 -0.349 1.00 0.00 C ATOM 1804 CG ASN B 34 5.420 -11.436 0.396 1.00 0.00 C ATOM 1805 OD1 ASN B 34 4.693 -10.569 -0.046 1.00 0.00 O ATOM 1806 ND2 ASN B 34 5.127 -12.019 1.523 1.00 0.00 N ATOM 0 H ASN B 34 8.472 -12.286 -2.005 1.00 0.00 H new ATOM 0 HA ASN B 34 5.739 -13.112 -1.811 1.00 0.00 H new ATOM 0 HB2 ASN B 34 7.154 -12.699 0.149 1.00 0.00 H new ATOM 0 HB3 ASN B 34 7.414 -11.033 -0.329 1.00 0.00 H new ATOM 0 HD21 ASN B 34 4.287 -11.748 2.034 1.00 0.00 H new ATOM 0 HD22 ASN B 34 5.737 -12.747 1.894 1.00 0.00 H new ATOM 1813 N ILE B 35 6.279 -10.049 -2.873 1.00 0.00 N ATOM 1814 CA ILE B 35 5.603 -8.893 -3.522 1.00 0.00 C ATOM 1815 C ILE B 35 4.938 -9.364 -4.819 1.00 0.00 C ATOM 1816 O ILE B 35 3.815 -9.008 -5.121 1.00 0.00 O ATOM 1817 CB ILE B 35 6.649 -7.824 -3.843 1.00 0.00 C ATOM 1818 CG1 ILE B 35 7.200 -7.248 -2.532 1.00 0.00 C ATOM 1819 CG2 ILE B 35 6.005 -6.702 -4.662 1.00 0.00 C ATOM 1820 CD1 ILE B 35 8.415 -6.353 -2.814 1.00 0.00 C ATOM 0 H ILE B 35 7.293 -9.969 -2.795 1.00 0.00 H new ATOM 0 HA ILE B 35 4.847 -8.479 -2.855 1.00 0.00 H new ATOM 0 HB ILE B 35 7.460 -8.269 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE B 35 6.425 -6.672 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.485 -8.059 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE B 35 6.753 -5.942 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE B 35 5.609 -7.111 -5.592 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.194 -6.253 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.796 -5.951 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE B 35 9.194 -6.940 -3.300 1.00 0.00 H new ATOM 0 HD13 ILE B 35 8.118 -5.532 -3.467 1.00 0.00 H new ATOM 1832 N GLU B 36 5.630 -10.157 -5.590 1.00 0.00 N ATOM 1833 CA GLU B 36 5.052 -10.655 -6.871 1.00 0.00 C ATOM 1834 C GLU B 36 3.910 -11.631 -6.566 1.00 0.00 C ATOM 1835 O GLU B 36 2.933 -11.709 -7.284 1.00 0.00 O ATOM 1836 CB GLU B 36 6.157 -11.367 -7.672 1.00 0.00 C ATOM 1837 CG GLU B 36 5.853 -11.295 -9.170 1.00 0.00 C ATOM 1838 CD GLU B 36 6.104 -9.871 -9.668 1.00 0.00 C ATOM 1839 OE1 GLU B 36 7.213 -9.392 -9.493 1.00 0.00 O ATOM 1840 OE2 GLU B 36 5.184 -9.282 -10.208 1.00 0.00 O ATOM 0 H GLU B 36 6.575 -10.483 -5.387 1.00 0.00 H new ATOM 0 HA GLU B 36 4.660 -9.823 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.122 -10.903 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU B 36 6.231 -12.408 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.482 -11.999 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU B 36 4.818 -11.581 -9.357 1.00 0.00 H new ATOM 1847 N GLN B 37 4.039 -12.381 -5.506 1.00 0.00 N ATOM 1848 CA GLN B 37 2.981 -13.364 -5.135 1.00 0.00 C ATOM 1849 C GLN B 37 2.003 -12.703 -4.161 1.00 0.00 C ATOM 1850 O GLN B 37 1.225 -13.361 -3.501 1.00 0.00 O ATOM 1851 CB GLN B 37 3.640 -14.570 -4.461 1.00 0.00 C ATOM 1852 CG GLN B 37 4.552 -15.293 -5.459 1.00 0.00 C ATOM 1853 CD GLN B 37 3.707 -15.891 -6.585 1.00 0.00 C ATOM 1854 OE1 GLN B 37 3.602 -15.319 -7.650 1.00 0.00 O ATOM 1855 NE2 GLN B 37 3.093 -17.027 -6.392 1.00 0.00 N ATOM 0 H GLN B 37 4.840 -12.355 -4.875 1.00 0.00 H new ATOM 0 HA GLN B 37 2.443 -13.690 -6.025 1.00 0.00 H new ATOM 0 HB2 GLN B 37 4.219 -14.243 -3.597 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.876 -15.254 -4.092 1.00 0.00 H new ATOM 0 HG2 GLN B 37 5.283 -14.597 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN B 37 5.111 -16.080 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN B 37 3.181 -17.509 -5.497 1.00 0.00 H new ATOM 0 HE22 GLN B 37 2.526 -17.433 -7.136 1.00 0.00 H new ATOM 1864 N SER B 38 2.049 -11.401 -4.060 1.00 0.00 N ATOM 1865 CA SER B 38 1.140 -10.689 -3.120 1.00 0.00 C ATOM 1866 C SER B 38 -0.316 -11.004 -3.457 1.00 0.00 C ATOM 1867 O SER B 38 -0.710 -11.004 -4.608 1.00 0.00 O ATOM 1868 CB SER B 38 1.364 -9.184 -3.251 1.00 0.00 C ATOM 1869 OG SER B 38 0.429 -8.497 -2.427 1.00 0.00 O ATOM 0 H SER B 38 2.680 -10.800 -4.590 1.00 0.00 H new ATOM 0 HA SER B 38 1.353 -11.016 -2.102 1.00 0.00 H new ATOM 0 HB2 SER B 38 2.382 -8.929 -2.957 1.00 0.00 H new ATOM 0 HB3 SER B 38 1.246 -8.876 -4.290 1.00 0.00 H new ATOM 0 HG SER B 38 0.571 -7.531 -2.507 1.00 0.00 H new ATOM 1875 N GLU B 39 -1.120 -11.267 -2.455 1.00 0.00 N ATOM 1876 CA GLU B 39 -2.564 -11.583 -2.692 1.00 0.00 C ATOM 1877 C GLU B 39 -3.419 -10.375 -2.287 1.00 0.00 C ATOM 1878 O GLU B 39 -4.002 -9.710 -3.118 1.00 0.00 O ATOM 1879 CB GLU B 39 -2.947 -12.818 -1.845 1.00 0.00 C ATOM 1880 CG GLU B 39 -3.963 -13.690 -2.593 1.00 0.00 C ATOM 1881 CD GLU B 39 -3.287 -14.308 -3.817 1.00 0.00 C ATOM 1882 OE1 GLU B 39 -2.067 -14.365 -3.828 1.00 0.00 O ATOM 1883 OE2 GLU B 39 -3.995 -14.709 -4.726 1.00 0.00 O ATOM 0 H GLU B 39 -0.835 -11.276 -1.476 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.737 -11.800 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.055 -13.402 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -3.367 -12.496 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.341 -14.474 -1.937 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -4.820 -13.090 -2.900 1.00 0.00 H new ATOM 1890 N THR B 40 -3.501 -10.088 -1.012 1.00 0.00 N ATOM 1891 CA THR B 40 -4.323 -8.926 -0.558 1.00 0.00 C ATOM 1892 C THR B 40 -3.423 -7.704 -0.389 1.00 0.00 C ATOM 1893 O THR B 40 -2.522 -7.685 0.427 1.00 0.00 O ATOM 1894 CB THR B 40 -4.992 -9.272 0.773 1.00 0.00 C ATOM 1895 OG1 THR B 40 -4.001 -9.664 1.713 1.00 0.00 O ATOM 1896 CG2 THR B 40 -5.978 -10.420 0.557 1.00 0.00 C ATOM 0 H THR B 40 -3.035 -10.607 -0.268 1.00 0.00 H new ATOM 0 HA THR B 40 -5.091 -8.703 -1.299 1.00 0.00 H new ATOM 0 HB THR B 40 -5.525 -8.401 1.154 1.00 0.00 H new ATOM 0 HG1 THR B 40 -3.154 -9.221 1.499 1.00 0.00 H new ATOM 0 HG21 THR B 40 -6.458 -10.671 1.503 1.00 0.00 H new ATOM 0 HG22 THR B 40 -6.736 -10.117 -0.165 1.00 0.00 H new ATOM 0 HG23 THR B 40 -5.444 -11.292 0.179 1.00 0.00 H new ATOM 1904 N ALA B 41 -3.652 -6.684 -1.172 1.00 0.00 N ATOM 1905 CA ALA B 41 -2.803 -5.467 -1.077 1.00 0.00 C ATOM 1906 C ALA B 41 -3.166 -4.674 0.192 1.00 0.00 C ATOM 1907 O ALA B 41 -4.290 -4.713 0.652 1.00 0.00 O ATOM 1908 CB ALA B 41 -3.045 -4.598 -2.313 1.00 0.00 C ATOM 0 H ALA B 41 -4.392 -6.643 -1.873 1.00 0.00 H new ATOM 0 HA ALA B 41 -1.753 -5.755 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.427 -3.702 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.785 -5.160 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.096 -4.312 -2.357 1.00 0.00 H new ATOM 1914 N PRO B 42 -2.222 -3.957 0.755 1.00 0.00 N ATOM 1915 CA PRO B 42 -2.456 -3.146 1.988 1.00 0.00 C ATOM 1916 C PRO B 42 -3.434 -1.977 1.758 1.00 0.00 C ATOM 1917 O PRO B 42 -3.550 -1.448 0.668 1.00 0.00 O ATOM 1918 CB PRO B 42 -1.051 -2.641 2.372 1.00 0.00 C ATOM 1919 CG PRO B 42 -0.245 -2.705 1.110 1.00 0.00 C ATOM 1920 CD PRO B 42 -0.830 -3.848 0.283 1.00 0.00 C ATOM 0 HA PRO B 42 -2.926 -3.735 2.775 1.00 0.00 H new ATOM 0 HB2 PRO B 42 -1.092 -1.623 2.760 1.00 0.00 H new ATOM 0 HB3 PRO B 42 -0.610 -3.262 3.152 1.00 0.00 H new ATOM 0 HG2 PRO B 42 -0.301 -1.763 0.565 1.00 0.00 H new ATOM 0 HG3 PRO B 42 0.808 -2.884 1.330 1.00 0.00 H new ATOM 0 HD2 PRO B 42 -0.787 -3.631 -0.784 1.00 0.00 H new ATOM 0 HD3 PRO B 42 -0.281 -4.776 0.442 1.00 0.00 H new ATOM 1928 N VAL B 43 -4.140 -1.585 2.786 1.00 0.00 N ATOM 1929 CA VAL B 43 -5.118 -0.466 2.660 1.00 0.00 C ATOM 1930 C VAL B 43 -4.377 0.850 2.402 1.00 0.00 C ATOM 1931 O VAL B 43 -4.953 1.820 1.953 1.00 0.00 O ATOM 1932 CB VAL B 43 -5.926 -0.354 3.957 1.00 0.00 C ATOM 1933 CG1 VAL B 43 -6.825 -1.585 4.104 1.00 0.00 C ATOM 1934 CG2 VAL B 43 -4.970 -0.279 5.156 1.00 0.00 C ATOM 0 H VAL B 43 -4.079 -1.997 3.717 1.00 0.00 H new ATOM 0 HA VAL B 43 -5.789 -0.665 1.824 1.00 0.00 H new ATOM 0 HB VAL B 43 -6.539 0.547 3.924 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -7.401 -1.507 5.026 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -7.506 -1.642 3.255 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -6.209 -2.484 4.136 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -5.547 -0.199 6.077 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -4.356 -1.179 5.189 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.327 0.595 5.054 1.00 0.00 H new ATOM 1944 N VAL B 44 -3.111 0.897 2.706 1.00 0.00 N ATOM 1945 CA VAL B 44 -2.341 2.157 2.501 1.00 0.00 C ATOM 1946 C VAL B 44 -2.463 2.597 1.038 1.00 0.00 C ATOM 1947 O VAL B 44 -2.602 3.765 0.741 1.00 0.00 O ATOM 1948 CB VAL B 44 -0.865 1.903 2.839 1.00 0.00 C ATOM 1949 CG1 VAL B 44 -0.223 1.014 1.762 1.00 0.00 C ATOM 1950 CG2 VAL B 44 -0.121 3.237 2.920 1.00 0.00 C ATOM 0 H VAL B 44 -2.575 0.118 3.088 1.00 0.00 H new ATOM 0 HA VAL B 44 -2.737 2.940 3.147 1.00 0.00 H new ATOM 0 HB VAL B 44 -0.802 1.394 3.801 1.00 0.00 H new ATOM 0 HG11 VAL B 44 0.824 0.840 2.011 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -0.749 0.060 1.716 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -0.288 1.511 0.794 1.00 0.00 H new ATOM 0 HG21 VAL B 44 0.927 3.055 3.160 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -0.190 3.751 1.961 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -0.569 3.857 3.697 1.00 0.00 H new ATOM 1960 N VAL B 45 -2.411 1.668 0.125 1.00 0.00 N ATOM 1961 CA VAL B 45 -2.519 2.029 -1.314 1.00 0.00 C ATOM 1962 C VAL B 45 -3.900 2.630 -1.579 1.00 0.00 C ATOM 1963 O VAL B 45 -4.036 3.626 -2.263 1.00 0.00 O ATOM 1964 CB VAL B 45 -2.333 0.769 -2.159 1.00 0.00 C ATOM 1965 CG1 VAL B 45 -2.557 1.102 -3.633 1.00 0.00 C ATOM 1966 CG2 VAL B 45 -0.913 0.230 -1.968 1.00 0.00 C ATOM 0 H VAL B 45 -2.298 0.672 0.315 1.00 0.00 H new ATOM 0 HA VAL B 45 -1.752 2.758 -1.575 1.00 0.00 H new ATOM 0 HB VAL B 45 -3.054 0.014 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -2.424 0.202 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -3.569 1.483 -3.770 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -1.838 1.858 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -0.781 -0.669 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -0.192 0.986 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -0.754 -0.011 -0.917 1.00 0.00 H new ATOM 1976 N LYS B 46 -4.925 2.031 -1.042 1.00 0.00 N ATOM 1977 CA LYS B 46 -6.301 2.562 -1.253 1.00 0.00 C ATOM 1978 C LYS B 46 -6.401 3.961 -0.638 1.00 0.00 C ATOM 1979 O LYS B 46 -6.989 4.863 -1.203 1.00 0.00 O ATOM 1980 CB LYS B 46 -7.306 1.634 -0.571 1.00 0.00 C ATOM 1981 CG LYS B 46 -7.337 0.287 -1.297 1.00 0.00 C ATOM 1982 CD LYS B 46 -8.301 -0.658 -0.577 1.00 0.00 C ATOM 1983 CE LYS B 46 -8.278 -2.026 -1.262 1.00 0.00 C ATOM 1984 NZ LYS B 46 -8.882 -1.914 -2.620 1.00 0.00 N ATOM 0 H LYS B 46 -4.869 1.193 -0.463 1.00 0.00 H new ATOM 0 HA LYS B 46 -6.517 2.616 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.031 1.489 0.474 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.298 2.086 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -7.652 0.426 -2.331 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -6.337 -0.147 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -8.015 -0.758 0.470 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -9.311 -0.247 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -7.253 -2.389 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -8.830 -2.752 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -9.100 -2.864 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -9.757 -1.355 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -8.211 -1.444 -3.261 1.00 0.00 H new ATOM 1998 N TYR B 47 -5.835 4.144 0.524 1.00 0.00 N ATOM 1999 CA TYR B 47 -5.894 5.474 1.194 1.00 0.00 C ATOM 2000 C TYR B 47 -5.180 6.515 0.324 1.00 0.00 C ATOM 2001 O TYR B 47 -5.655 7.621 0.134 1.00 0.00 O ATOM 2002 CB TYR B 47 -5.201 5.375 2.552 1.00 0.00 C ATOM 2003 CG TYR B 47 -5.356 6.682 3.289 1.00 0.00 C ATOM 2004 CD1 TYR B 47 -6.584 7.000 3.881 1.00 0.00 C ATOM 2005 CD2 TYR B 47 -4.282 7.574 3.380 1.00 0.00 C ATOM 2006 CE1 TYR B 47 -6.737 8.211 4.563 1.00 0.00 C ATOM 2007 CE2 TYR B 47 -4.437 8.787 4.062 1.00 0.00 C ATOM 2008 CZ TYR B 47 -5.666 9.105 4.653 1.00 0.00 C ATOM 2009 OH TYR B 47 -5.824 10.301 5.323 1.00 0.00 O ATOM 0 H TYR B 47 -5.331 3.424 1.041 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.932 5.775 1.333 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -5.634 4.562 3.135 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -4.144 5.143 2.418 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -7.412 6.311 3.811 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.334 7.327 2.925 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -7.684 8.456 5.021 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.609 9.477 4.132 1.00 0.00 H new ATOM 0 HH TYR B 47 -4.984 10.806 5.294 1.00 0.00 H new ATOM 2019 N ILE B 48 -4.039 6.167 -0.202 1.00 0.00 N ATOM 2020 CA ILE B 48 -3.282 7.122 -1.057 1.00 0.00 C ATOM 2021 C ILE B 48 -4.109 7.452 -2.304 1.00 0.00 C ATOM 2022 O ILE B 48 -4.189 8.588 -2.727 1.00 0.00 O ATOM 2023 CB ILE B 48 -1.960 6.477 -1.480 1.00 0.00 C ATOM 2024 CG1 ILE B 48 -1.049 6.317 -0.258 1.00 0.00 C ATOM 2025 CG2 ILE B 48 -1.266 7.363 -2.511 1.00 0.00 C ATOM 2026 CD1 ILE B 48 0.128 5.406 -0.616 1.00 0.00 C ATOM 0 H ILE B 48 -3.596 5.257 -0.075 1.00 0.00 H new ATOM 0 HA ILE B 48 -3.083 8.037 -0.500 1.00 0.00 H new ATOM 0 HB ILE B 48 -2.162 5.498 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -0.683 7.291 0.067 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -1.610 5.894 0.575 1.00 0.00 H new ATOM 0 HG21 ILE B 48 -0.325 6.903 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE B 48 -1.909 7.478 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE B 48 -1.068 8.342 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.777 5.291 0.252 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.247 4.429 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.694 5.848 -1.436 1.00 0.00 H new ATOM 2038 N ALA B 49 -4.711 6.465 -2.901 1.00 0.00 N ATOM 2039 CA ALA B 49 -5.521 6.710 -4.125 1.00 0.00 C ATOM 2040 C ALA B 49 -6.588 7.764 -3.829 1.00 0.00 C ATOM 2041 O ALA B 49 -6.892 8.605 -4.652 1.00 0.00 O ATOM 2042 CB ALA B 49 -6.196 5.405 -4.541 1.00 0.00 C ATOM 0 H ALA B 49 -4.677 5.493 -2.593 1.00 0.00 H new ATOM 0 HA ALA B 49 -4.877 7.067 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -6.792 5.574 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -5.436 4.652 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -6.842 5.057 -3.735 1.00 0.00 H new ATOM 2048 N PHE B 50 -7.164 7.720 -2.664 1.00 0.00 N ATOM 2049 CA PHE B 50 -8.214 8.714 -2.314 1.00 0.00 C ATOM 2050 C PHE B 50 -7.604 10.123 -2.317 1.00 0.00 C ATOM 2051 O PHE B 50 -8.161 11.053 -2.868 1.00 0.00 O ATOM 2052 CB PHE B 50 -8.765 8.380 -0.918 1.00 0.00 C ATOM 2053 CG PHE B 50 -10.150 8.961 -0.756 1.00 0.00 C ATOM 2054 CD1 PHE B 50 -11.210 8.435 -1.504 1.00 0.00 C ATOM 2055 CD2 PHE B 50 -10.380 10.016 0.136 1.00 0.00 C ATOM 2056 CE1 PHE B 50 -12.498 8.961 -1.361 1.00 0.00 C ATOM 2057 CE2 PHE B 50 -11.670 10.544 0.279 1.00 0.00 C ATOM 2058 CZ PHE B 50 -12.728 10.015 -0.471 1.00 0.00 C ATOM 0 H PHE B 50 -6.953 7.037 -1.936 1.00 0.00 H new ATOM 0 HA PHE B 50 -9.024 8.679 -3.043 1.00 0.00 H new ATOM 0 HB2 PHE B 50 -8.797 7.299 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE B 50 -8.102 8.780 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE B 50 -11.033 7.622 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE B 50 -9.563 10.423 0.714 1.00 0.00 H new ATOM 0 HE1 PHE B 50 -13.315 8.553 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE B 50 -11.848 11.358 0.966 1.00 0.00 H new ATOM 0 HZ PHE B 50 -13.723 10.422 -0.362 1.00 0.00 H new ATOM 2068 N LEU B 51 -6.466 10.285 -1.696 1.00 0.00 N ATOM 2069 CA LEU B 51 -5.815 11.628 -1.649 1.00 0.00 C ATOM 2070 C LEU B 51 -5.392 12.054 -3.060 1.00 0.00 C ATOM 2071 O LEU B 51 -5.522 13.204 -3.440 1.00 0.00 O ATOM 2072 CB LEU B 51 -4.582 11.558 -0.748 1.00 0.00 C ATOM 2073 CG LEU B 51 -4.998 11.264 0.702 1.00 0.00 C ATOM 2074 CD1 LEU B 51 -3.740 11.062 1.559 1.00 0.00 C ATOM 2075 CD2 LEU B 51 -5.842 12.426 1.270 1.00 0.00 C ATOM 0 H LEU B 51 -5.957 9.542 -1.217 1.00 0.00 H new ATOM 0 HA LEU B 51 -6.522 12.357 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -3.906 10.781 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -4.036 12.500 -0.793 1.00 0.00 H new ATOM 0 HG LEU B 51 -5.604 10.358 0.722 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -4.031 10.853 2.589 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -3.164 10.224 1.168 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -3.131 11.966 1.530 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -6.127 12.200 2.297 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -5.256 13.345 1.250 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -6.739 12.554 0.664 1.00 0.00 H new ATOM 2087 N ARG B 52 -4.875 11.139 -3.834 1.00 0.00 N ATOM 2088 CA ARG B 52 -4.435 11.489 -5.215 1.00 0.00 C ATOM 2089 C ARG B 52 -5.650 11.915 -6.039 1.00 0.00 C ATOM 2090 O ARG B 52 -5.580 12.818 -6.849 1.00 0.00 O ATOM 2091 CB ARG B 52 -3.788 10.265 -5.866 1.00 0.00 C ATOM 2092 CG ARG B 52 -2.451 9.956 -5.187 1.00 0.00 C ATOM 2093 CD ARG B 52 -1.712 8.872 -5.979 1.00 0.00 C ATOM 2094 NE ARG B 52 -2.601 7.687 -6.148 1.00 0.00 N ATOM 2095 CZ ARG B 52 -2.203 6.657 -6.848 1.00 0.00 C ATOM 2096 NH1 ARG B 52 -1.012 6.643 -7.377 1.00 0.00 N ATOM 2097 NH2 ARG B 52 -3.001 5.637 -7.014 1.00 0.00 N ATOM 0 H ARG B 52 -4.738 10.163 -3.570 1.00 0.00 H new ATOM 0 HA ARG B 52 -3.714 12.306 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -4.453 9.406 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -3.632 10.448 -6.929 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -1.843 10.859 -5.131 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -2.620 9.622 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -1.414 9.258 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -0.799 8.584 -5.457 1.00 0.00 H new ATOM 0 HE ARG B 52 -3.525 7.680 -5.715 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -0.386 7.438 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -0.706 5.837 -7.922 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -3.932 5.645 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -2.693 4.832 -7.560 1.00 0.00 H new ATOM 2111 N SER B 53 -6.764 11.268 -5.841 1.00 0.00 N ATOM 2112 CA SER B 53 -7.984 11.626 -6.612 1.00 0.00 C ATOM 2113 C SER B 53 -8.368 13.075 -6.308 1.00 0.00 C ATOM 2114 O SER B 53 -9.099 13.703 -7.047 1.00 0.00 O ATOM 2115 CB SER B 53 -9.126 10.699 -6.202 1.00 0.00 C ATOM 2116 OG SER B 53 -9.467 10.957 -4.847 1.00 0.00 O ATOM 0 H SER B 53 -6.881 10.504 -5.176 1.00 0.00 H new ATOM 0 HA SER B 53 -7.791 11.518 -7.679 1.00 0.00 H new ATOM 0 HB2 SER B 53 -9.991 10.860 -6.845 1.00 0.00 H new ATOM 0 HB3 SER B 53 -8.828 9.658 -6.324 1.00 0.00 H new ATOM 0 HG SER B 53 -8.654 11.151 -4.336 1.00 0.00 H new ATOM 2122 N LYS B 54 -7.879 13.611 -5.223 1.00 0.00 N ATOM 2123 CA LYS B 54 -8.210 15.019 -4.865 1.00 0.00 C ATOM 2124 C LYS B 54 -7.101 15.939 -5.388 1.00 0.00 C ATOM 2125 O LYS B 54 -7.137 17.139 -5.209 1.00 0.00 O ATOM 2126 CB LYS B 54 -8.322 15.127 -3.341 1.00 0.00 C ATOM 2127 CG LYS B 54 -9.527 14.303 -2.873 1.00 0.00 C ATOM 2128 CD LYS B 54 -9.632 14.356 -1.350 1.00 0.00 C ATOM 2129 CE LYS B 54 -10.793 13.472 -0.887 1.00 0.00 C ATOM 2130 NZ LYS B 54 -12.068 13.972 -1.475 1.00 0.00 N ATOM 0 H LYS B 54 -7.262 13.132 -4.567 1.00 0.00 H new ATOM 0 HA LYS B 54 -9.158 15.317 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.410 14.762 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.440 16.169 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -10.441 14.691 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -9.423 13.270 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.700 14.016 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -9.790 15.383 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.621 12.440 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -10.856 13.477 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -12.871 13.599 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -12.081 15.011 -1.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -12.142 13.655 -2.463 1.00 0.00 H new ATOM 2144 N GLY B 55 -6.127 15.380 -6.060 1.00 0.00 N ATOM 2145 CA GLY B 55 -5.027 16.214 -6.625 1.00 0.00 C ATOM 2146 C GLY B 55 -4.082 16.690 -5.517 1.00 0.00 C ATOM 2147 O GLY B 55 -3.417 17.696 -5.653 1.00 0.00 O ATOM 0 H GLY B 55 -6.047 14.379 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -4.469 15.637 -7.362 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -5.447 17.075 -7.145 1.00 0.00 H new ATOM 2151 N VAL B 56 -4.005 15.985 -4.422 1.00 0.00 N ATOM 2152 CA VAL B 56 -3.089 16.425 -3.331 1.00 0.00 C ATOM 2153 C VAL B 56 -1.650 16.448 -3.847 1.00 0.00 C ATOM 2154 O VAL B 56 -0.733 16.823 -3.147 1.00 0.00 O ATOM 2155 CB VAL B 56 -3.202 15.454 -2.156 1.00 0.00 C ATOM 2156 CG1 VAL B 56 -2.093 15.742 -1.136 1.00 0.00 C ATOM 2157 CG2 VAL B 56 -4.571 15.633 -1.500 1.00 0.00 C ATOM 0 H VAL B 56 -4.531 15.131 -4.236 1.00 0.00 H new ATOM 0 HA VAL B 56 -3.366 17.427 -3.002 1.00 0.00 H new ATOM 0 HB VAL B 56 -3.094 14.429 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -2.178 15.047 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -1.120 15.620 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -2.192 16.764 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -4.664 14.945 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -4.672 16.658 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -5.354 15.424 -2.229 1.00 0.00 H new ATOM 2167 N ASP B 57 -1.456 16.045 -5.064 1.00 0.00 N ATOM 2168 CA ASP B 57 -0.089 16.032 -5.659 1.00 0.00 C ATOM 2169 C ASP B 57 0.842 15.168 -4.806 1.00 0.00 C ATOM 2170 O ASP B 57 1.737 15.659 -4.148 1.00 0.00 O ATOM 2171 CB ASP B 57 0.463 17.460 -5.752 1.00 0.00 C ATOM 2172 CG ASP B 57 -0.312 18.241 -6.813 1.00 0.00 C ATOM 2173 OD1 ASP B 57 -0.024 18.058 -7.984 1.00 0.00 O ATOM 2174 OD2 ASP B 57 -1.176 19.018 -6.437 1.00 0.00 O ATOM 0 H ASP B 57 -2.195 15.718 -5.686 1.00 0.00 H new ATOM 0 HA ASP B 57 -0.147 15.612 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.378 17.957 -4.786 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.523 17.435 -6.006 1.00 0.00 H new ATOM 2179 N LEU B 58 0.637 13.882 -4.819 1.00 0.00 N ATOM 2180 CA LEU B 58 1.507 12.978 -4.019 1.00 0.00 C ATOM 2181 C LEU B 58 2.837 12.794 -4.752 1.00 0.00 C ATOM 2182 O LEU B 58 3.719 12.093 -4.301 1.00 0.00 O ATOM 2183 CB LEU B 58 0.808 11.620 -3.872 1.00 0.00 C ATOM 2184 CG LEU B 58 1.384 10.850 -2.662 1.00 0.00 C ATOM 2185 CD1 LEU B 58 0.619 11.243 -1.389 1.00 0.00 C ATOM 2186 CD2 LEU B 58 1.265 9.330 -2.901 1.00 0.00 C ATOM 0 H LEU B 58 -0.098 13.416 -5.351 1.00 0.00 H new ATOM 0 HA LEU B 58 1.690 13.404 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -0.264 11.767 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU B 58 0.941 11.034 -4.782 1.00 0.00 H new ATOM 0 HG LEU B 58 2.436 11.106 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU B 58 1.027 10.699 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU B 58 0.723 12.315 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -0.436 10.995 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU B 58 1.673 8.794 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU B 58 0.216 9.063 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU B 58 1.822 9.058 -3.798 1.00 0.00 H new ATOM 2198 N ASN B 59 2.966 13.401 -5.896 1.00 0.00 N ATOM 2199 CA ASN B 59 4.216 13.257 -6.694 1.00 0.00 C ATOM 2200 C ASN B 59 5.399 13.838 -5.908 1.00 0.00 C ATOM 2201 O ASN B 59 6.481 13.285 -5.890 1.00 0.00 O ATOM 2202 CB ASN B 59 4.060 14.046 -7.997 1.00 0.00 C ATOM 2203 CG ASN B 59 2.701 13.735 -8.628 1.00 0.00 C ATOM 2204 OD1 ASN B 59 1.771 14.502 -8.481 1.00 0.00 O ATOM 2205 ND2 ASN B 59 2.540 12.649 -9.330 1.00 0.00 N ATOM 0 H ASN B 59 2.253 13.997 -6.318 1.00 0.00 H new ATOM 0 HA ASN B 59 4.397 12.203 -6.903 1.00 0.00 H new ATOM 0 HB2 ASN B 59 4.144 15.115 -7.799 1.00 0.00 H new ATOM 0 HB3 ASN B 59 4.861 13.786 -8.689 1.00 0.00 H new ATOM 0 HD21 ASN B 59 1.635 12.445 -9.754 1.00 0.00 H new ATOM 0 HD22 ASN B 59 3.319 12.003 -9.455 1.00 0.00 H new ATOM 2212 N ALA B 60 5.200 14.962 -5.277 1.00 0.00 N ATOM 2213 CA ALA B 60 6.300 15.603 -4.505 1.00 0.00 C ATOM 2214 C ALA B 60 6.618 14.783 -3.252 1.00 0.00 C ATOM 2215 O ALA B 60 7.761 14.646 -2.853 1.00 0.00 O ATOM 2216 CB ALA B 60 5.861 17.009 -4.091 1.00 0.00 C ATOM 0 H ALA B 60 4.314 15.468 -5.263 1.00 0.00 H new ATOM 0 HA ALA B 60 7.193 15.655 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA B 60 6.660 17.488 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA B 60 5.643 17.599 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA B 60 4.966 16.943 -3.472 1.00 0.00 H new ATOM 2222 N LEU B 61 5.613 14.260 -2.610 1.00 0.00 N ATOM 2223 CA LEU B 61 5.859 13.483 -1.364 1.00 0.00 C ATOM 2224 C LEU B 61 6.751 12.279 -1.669 1.00 0.00 C ATOM 2225 O LEU B 61 7.758 12.070 -1.028 1.00 0.00 O ATOM 2226 CB LEU B 61 4.508 13.001 -0.811 1.00 0.00 C ATOM 2227 CG LEU B 61 4.622 12.648 0.688 1.00 0.00 C ATOM 2228 CD1 LEU B 61 3.223 12.641 1.319 1.00 0.00 C ATOM 2229 CD2 LEU B 61 5.276 11.267 0.872 1.00 0.00 C ATOM 0 H LEU B 61 4.636 14.336 -2.892 1.00 0.00 H new ATOM 0 HA LEU B 61 6.360 14.112 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU B 61 3.756 13.777 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU B 61 4.172 12.128 -1.370 1.00 0.00 H new ATOM 0 HG LEU B 61 5.245 13.397 1.177 1.00 0.00 H new ATOM 0 HD11 LEU B 61 3.302 12.392 2.377 1.00 0.00 H new ATOM 0 HD12 LEU B 61 2.770 13.627 1.211 1.00 0.00 H new ATOM 0 HD13 LEU B 61 2.601 11.899 0.817 1.00 0.00 H new ATOM 0 HD21 LEU B 61 5.347 11.037 1.935 1.00 0.00 H new ATOM 0 HD22 LEU B 61 4.670 10.509 0.376 1.00 0.00 H new ATOM 0 HD23 LEU B 61 6.275 11.276 0.435 1.00 0.00 H new ATOM 2241 N PHE B 62 6.398 11.499 -2.652 1.00 0.00 N ATOM 2242 CA PHE B 62 7.228 10.311 -3.001 1.00 0.00 C ATOM 2243 C PHE B 62 8.614 10.775 -3.451 1.00 0.00 C ATOM 2244 O PHE B 62 9.615 10.149 -3.157 1.00 0.00 O ATOM 2245 CB PHE B 62 6.537 9.530 -4.141 1.00 0.00 C ATOM 2246 CG PHE B 62 5.689 8.409 -3.572 1.00 0.00 C ATOM 2247 CD1 PHE B 62 4.721 8.687 -2.602 1.00 0.00 C ATOM 2248 CD2 PHE B 62 5.878 7.092 -4.015 1.00 0.00 C ATOM 2249 CE1 PHE B 62 3.946 7.649 -2.071 1.00 0.00 C ATOM 2250 CE2 PHE B 62 5.102 6.056 -3.484 1.00 0.00 C ATOM 2251 CZ PHE B 62 4.134 6.335 -2.514 1.00 0.00 C ATOM 0 H PHE B 62 5.569 11.633 -3.231 1.00 0.00 H new ATOM 0 HA PHE B 62 7.335 9.663 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE B 62 5.914 10.205 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE B 62 7.287 9.120 -4.817 1.00 0.00 H new ATOM 0 HD1 PHE B 62 4.571 9.701 -2.263 1.00 0.00 H new ATOM 0 HD2 PHE B 62 6.623 6.877 -4.767 1.00 0.00 H new ATOM 0 HE1 PHE B 62 3.202 7.863 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE B 62 5.250 5.041 -3.823 1.00 0.00 H new ATOM 0 HZ PHE B 62 3.532 5.536 -2.107 1.00 0.00 H new ATOM 2261 N ASP B 63 8.682 11.851 -4.172 1.00 0.00 N ATOM 2262 CA ASP B 63 10.003 12.327 -4.645 1.00 0.00 C ATOM 2263 C ASP B 63 10.893 12.579 -3.429 1.00 0.00 C ATOM 2264 O ASP B 63 12.104 12.571 -3.525 1.00 0.00 O ATOM 2265 CB ASP B 63 9.817 13.623 -5.440 1.00 0.00 C ATOM 2266 CG ASP B 63 9.368 13.292 -6.867 1.00 0.00 C ATOM 2267 OD1 ASP B 63 8.640 12.325 -7.029 1.00 0.00 O ATOM 2268 OD2 ASP B 63 9.752 14.014 -7.771 1.00 0.00 O ATOM 0 H ASP B 63 7.884 12.420 -4.454 1.00 0.00 H new ATOM 0 HA ASP B 63 10.468 11.581 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP B 63 9.076 14.257 -4.953 1.00 0.00 H new ATOM 0 HB3 ASP B 63 10.751 14.184 -5.463 1.00 0.00 H new ATOM 2273 N ARG B 64 10.310 12.802 -2.279 1.00 0.00 N ATOM 2274 CA ARG B 64 11.135 13.043 -1.064 1.00 0.00 C ATOM 2275 C ARG B 64 11.492 11.699 -0.408 1.00 0.00 C ATOM 2276 O ARG B 64 12.517 11.565 0.218 1.00 0.00 O ATOM 2277 CB ARG B 64 10.332 13.917 -0.096 1.00 0.00 C ATOM 2278 CG ARG B 64 11.263 14.570 0.931 1.00 0.00 C ATOM 2279 CD ARG B 64 10.519 15.709 1.627 1.00 0.00 C ATOM 2280 NE ARG B 64 10.204 16.769 0.623 1.00 0.00 N ATOM 2281 CZ ARG B 64 9.610 17.873 0.991 1.00 0.00 C ATOM 2282 NH1 ARG B 64 9.314 18.072 2.244 1.00 0.00 N ATOM 2283 NH2 ARG B 64 9.318 18.781 0.099 1.00 0.00 N ATOM 0 H ARG B 64 9.301 12.827 -2.132 1.00 0.00 H new ATOM 0 HA ARG B 64 12.061 13.552 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG B 64 9.795 14.686 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG B 64 9.583 13.312 0.415 1.00 0.00 H new ATOM 0 HG2 ARG B 64 11.591 13.832 1.663 1.00 0.00 H new ATOM 0 HG3 ARG B 64 12.158 14.951 0.439 1.00 0.00 H new ATOM 0 HD2 ARG B 64 9.601 15.337 2.082 1.00 0.00 H new ATOM 0 HD3 ARG B 64 11.129 16.121 2.431 1.00 0.00 H new ATOM 0 HE ARG B 64 10.454 16.630 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG B 64 9.546 17.365 2.941 1.00 0.00 H new ATOM 0 HH12 ARG B 64 8.850 18.935 2.528 1.00 0.00 H new ATOM 0 HH21 ARG B 64 9.554 18.627 -0.881 1.00 0.00 H new ATOM 0 HH22 ARG B 64 8.854 19.644 0.383 1.00 0.00 H new ATOM 2297 N ILE B 65 10.649 10.709 -0.538 1.00 0.00 N ATOM 2298 CA ILE B 65 10.952 9.377 0.078 1.00 0.00 C ATOM 2299 C ILE B 65 12.067 8.673 -0.706 1.00 0.00 C ATOM 2300 O ILE B 65 12.961 8.075 -0.138 1.00 0.00 O ATOM 2301 CB ILE B 65 9.698 8.507 0.060 1.00 0.00 C ATOM 2302 CG1 ILE B 65 8.525 9.278 0.671 1.00 0.00 C ATOM 2303 CG2 ILE B 65 9.943 7.231 0.868 1.00 0.00 C ATOM 2304 CD1 ILE B 65 8.898 9.837 2.048 1.00 0.00 C ATOM 0 H ILE B 65 9.764 10.762 -1.043 1.00 0.00 H new ATOM 0 HA ILE B 65 11.279 9.531 1.106 1.00 0.00 H new ATOM 0 HB ILE B 65 9.461 8.244 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE B 65 8.236 10.094 0.009 1.00 0.00 H new ATOM 0 HG13 ILE B 65 7.660 8.621 0.763 1.00 0.00 H new ATOM 0 HG21 ILE B 65 9.045 6.613 0.853 1.00 0.00 H new ATOM 0 HG22 ILE B 65 10.773 6.677 0.430 1.00 0.00 H new ATOM 0 HG23 ILE B 65 10.185 7.493 1.898 1.00 0.00 H new ATOM 0 HD11 ILE B 65 8.049 10.381 2.462 1.00 0.00 H new ATOM 0 HD12 ILE B 65 9.163 9.016 2.714 1.00 0.00 H new ATOM 0 HD13 ILE B 65 9.748 10.512 1.949 1.00 0.00 H new ATOM 2316 N ILE B 66 12.001 8.719 -2.011 1.00 0.00 N ATOM 2317 CA ILE B 66 13.034 8.041 -2.845 1.00 0.00 C ATOM 2318 C ILE B 66 14.424 8.551 -2.463 1.00 0.00 C ATOM 2319 O ILE B 66 15.423 8.094 -2.981 1.00 0.00 O ATOM 2320 CB ILE B 66 12.758 8.333 -4.326 1.00 0.00 C ATOM 2321 CG1 ILE B 66 12.733 9.846 -4.555 1.00 0.00 C ATOM 2322 CG2 ILE B 66 11.402 7.741 -4.719 1.00 0.00 C ATOM 2323 CD1 ILE B 66 12.559 10.139 -6.048 1.00 0.00 C ATOM 0 H ILE B 66 11.271 9.200 -2.537 1.00 0.00 H new ATOM 0 HA ILE B 66 12.994 6.965 -2.674 1.00 0.00 H new ATOM 0 HB ILE B 66 13.544 7.885 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE B 66 11.917 10.296 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE B 66 13.658 10.294 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE B 66 11.206 7.948 -5.771 1.00 0.00 H new ATOM 0 HG22 ILE B 66 11.415 6.663 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE B 66 10.618 8.190 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE B 66 12.542 11.217 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE B 66 13.389 9.703 -6.603 1.00 0.00 H new ATOM 0 HD13 ILE B 66 11.622 9.705 -6.397 1.00 0.00 H new ATOM 2335 N VAL B 67 14.493 9.504 -1.571 1.00 0.00 N ATOM 2336 CA VAL B 67 15.814 10.062 -1.157 1.00 0.00 C ATOM 2337 C VAL B 67 16.839 8.937 -0.973 1.00 0.00 C ATOM 2338 O VAL B 67 16.616 7.986 -0.249 1.00 0.00 O ATOM 2339 CB VAL B 67 15.642 10.839 0.155 1.00 0.00 C ATOM 2340 CG1 VAL B 67 15.464 9.870 1.332 1.00 0.00 C ATOM 2341 CG2 VAL B 67 16.864 11.728 0.392 1.00 0.00 C ATOM 0 H VAL B 67 13.686 9.922 -1.109 1.00 0.00 H new ATOM 0 HA VAL B 67 16.180 10.732 -1.935 1.00 0.00 H new ATOM 0 HB VAL B 67 14.751 11.463 0.080 1.00 0.00 H new ATOM 0 HG11 VAL B 67 15.343 10.437 2.255 1.00 0.00 H new ATOM 0 HG12 VAL B 67 14.580 9.254 1.166 1.00 0.00 H new ATOM 0 HG13 VAL B 67 16.342 9.229 1.412 1.00 0.00 H new ATOM 0 HG21 VAL B 67 16.738 12.278 1.324 1.00 0.00 H new ATOM 0 HG22 VAL B 67 17.758 11.108 0.454 1.00 0.00 H new ATOM 0 HG23 VAL B 67 16.967 12.432 -0.434 1.00 0.00 H new ATOM 2351 N ASN B 68 17.964 9.047 -1.628 1.00 0.00 N ATOM 2352 CA ASN B 68 19.019 8.000 -1.509 1.00 0.00 C ATOM 2353 C ASN B 68 19.973 8.380 -0.372 1.00 0.00 C ATOM 2354 O ASN B 68 21.047 7.830 -0.238 1.00 0.00 O ATOM 2355 CB ASN B 68 19.789 7.916 -2.830 1.00 0.00 C ATOM 2356 CG ASN B 68 20.573 9.211 -3.059 1.00 0.00 C ATOM 2357 OD1 ASN B 68 20.144 10.069 -3.802 1.00 0.00 O ATOM 2358 ND2 ASN B 68 21.711 9.389 -2.447 1.00 0.00 N ATOM 0 H ASN B 68 18.199 9.824 -2.245 1.00 0.00 H new ATOM 0 HA ASN B 68 18.567 7.032 -1.292 1.00 0.00 H new ATOM 0 HB2 ASN B 68 20.471 7.066 -2.810 1.00 0.00 H new ATOM 0 HB3 ASN B 68 19.096 7.749 -3.655 1.00 0.00 H new ATOM 0 HD21 ASN B 68 22.240 10.249 -2.593 1.00 0.00 H new ATOM 0 HD22 ASN B 68 22.072 8.668 -1.822 1.00 0.00 H new ATOM 2365 N LYS B 69 19.585 9.319 0.449 1.00 0.00 N ATOM 2366 CA LYS B 69 20.463 9.738 1.578 1.00 0.00 C ATOM 2367 C LYS B 69 20.297 8.763 2.744 1.00 0.00 C ATOM 2368 O LYS B 69 19.352 8.847 3.503 1.00 0.00 O ATOM 2369 CB LYS B 69 20.076 11.150 2.025 1.00 0.00 C ATOM 2370 CG LYS B 69 20.465 12.151 0.935 1.00 0.00 C ATOM 2371 CD LYS B 69 20.061 13.560 1.370 1.00 0.00 C ATOM 2372 CE LYS B 69 20.438 14.559 0.275 1.00 0.00 C ATOM 2373 NZ LYS B 69 20.030 15.931 0.693 1.00 0.00 N ATOM 0 H LYS B 69 18.696 9.815 0.386 1.00 0.00 H new ATOM 0 HA LYS B 69 21.503 9.734 1.253 1.00 0.00 H new ATOM 0 HB2 LYS B 69 19.004 11.202 2.217 1.00 0.00 H new ATOM 0 HB3 LYS B 69 20.579 11.399 2.959 1.00 0.00 H new ATOM 0 HG2 LYS B 69 21.539 12.109 0.754 1.00 0.00 H new ATOM 0 HG3 LYS B 69 19.973 11.893 -0.003 1.00 0.00 H new ATOM 0 HD2 LYS B 69 18.988 13.600 1.560 1.00 0.00 H new ATOM 0 HD3 LYS B 69 20.560 13.821 2.303 1.00 0.00 H new ATOM 0 HE2 LYS B 69 21.512 14.527 0.093 1.00 0.00 H new ATOM 0 HE3 LYS B 69 19.948 14.291 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 20.286 16.611 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 19.002 15.956 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 20.518 16.184 1.576 1.00 0.00 H new ATOM 2387 N LEU B 70 21.217 7.840 2.885 1.00 0.00 N ATOM 2388 CA LEU B 70 21.143 6.836 3.991 1.00 0.00 C ATOM 2389 C LEU B 70 19.692 6.384 4.199 1.00 0.00 C ATOM 2390 O LEU B 70 18.969 6.921 5.017 1.00 0.00 O ATOM 2391 CB LEU B 70 21.697 7.454 5.280 1.00 0.00 C ATOM 2392 CG LEU B 70 23.141 7.931 5.047 1.00 0.00 C ATOM 2393 CD1 LEU B 70 23.672 8.592 6.322 1.00 0.00 C ATOM 2394 CD2 LEU B 70 24.043 6.740 4.670 1.00 0.00 C ATOM 0 H LEU B 70 22.026 7.739 2.272 1.00 0.00 H new ATOM 0 HA LEU B 70 21.741 5.964 3.726 1.00 0.00 H new ATOM 0 HB2 LEU B 70 21.073 8.292 5.591 1.00 0.00 H new ATOM 0 HB3 LEU B 70 21.671 6.721 6.086 1.00 0.00 H new ATOM 0 HG LEU B 70 23.148 8.651 4.229 1.00 0.00 H new ATOM 0 HD11 LEU B 70 24.695 8.930 6.158 1.00 0.00 H new ATOM 0 HD12 LEU B 70 23.044 9.446 6.578 1.00 0.00 H new ATOM 0 HD13 LEU B 70 23.655 7.871 7.140 1.00 0.00 H new ATOM 0 HD21 LEU B 70 25.062 7.092 4.508 1.00 0.00 H new ATOM 0 HD22 LEU B 70 24.036 6.008 5.478 1.00 0.00 H new ATOM 0 HD23 LEU B 70 23.670 6.276 3.757 1.00 0.00 H new ATOM 2406 N GLU B 71 19.265 5.401 3.447 1.00 0.00 N ATOM 2407 CA GLU B 71 17.865 4.898 3.573 1.00 0.00 C ATOM 2408 C GLU B 71 17.815 3.766 4.600 1.00 0.00 C ATOM 2409 O GLU B 71 16.779 3.183 4.844 1.00 0.00 O ATOM 2410 CB GLU B 71 17.387 4.372 2.217 1.00 0.00 C ATOM 2411 CG GLU B 71 17.260 5.530 1.224 1.00 0.00 C ATOM 2412 CD GLU B 71 16.578 5.029 -0.054 1.00 0.00 C ATOM 2413 OE1 GLU B 71 16.042 3.934 -0.024 1.00 0.00 O ATOM 2414 OE2 GLU B 71 16.593 5.754 -1.036 1.00 0.00 O ATOM 0 H GLU B 71 19.831 4.923 2.746 1.00 0.00 H new ATOM 0 HA GLU B 71 17.218 5.713 3.899 1.00 0.00 H new ATOM 0 HB2 GLU B 71 18.090 3.631 1.837 1.00 0.00 H new ATOM 0 HB3 GLU B 71 16.425 3.871 2.330 1.00 0.00 H new ATOM 0 HG2 GLU B 71 16.680 6.341 1.665 1.00 0.00 H new ATOM 0 HG3 GLU B 71 18.245 5.933 0.990 1.00 0.00 H new ATOM 2421 N HIS B 72 18.927 3.446 5.203 1.00 0.00 N ATOM 2422 CA HIS B 72 18.932 2.348 6.210 1.00 0.00 C ATOM 2423 C HIS B 72 18.137 2.786 7.445 1.00 0.00 C ATOM 2424 O HIS B 72 18.176 2.153 8.481 1.00 0.00 O ATOM 2425 CB HIS B 72 20.381 2.020 6.600 1.00 0.00 C ATOM 2426 CG HIS B 72 20.450 0.629 7.174 1.00 0.00 C ATOM 2427 ND1 HIS B 72 20.965 0.367 8.436 1.00 0.00 N ATOM 2428 CD2 HIS B 72 20.072 -0.590 6.663 1.00 0.00 C ATOM 2429 CE1 HIS B 72 20.884 -0.962 8.640 1.00 0.00 C ATOM 2430 NE2 HIS B 72 20.348 -1.587 7.591 1.00 0.00 N ATOM 0 H HIS B 72 19.829 3.895 5.043 1.00 0.00 H new ATOM 0 HA HIS B 72 18.468 1.457 5.787 1.00 0.00 H new ATOM 0 HB2 HIS B 72 21.029 2.096 5.727 1.00 0.00 H new ATOM 0 HB3 HIS B 72 20.744 2.743 7.330 1.00 0.00 H new ATOM 0 HD2 HIS B 72 19.629 -0.748 5.691 1.00 0.00 H new ATOM 0 HE1 HIS B 72 21.212 -1.459 9.541 1.00 0.00 H new ATOM 0 HE2 HIS B 72 20.176 -2.587 7.491 1.00 0.00 H new ATOM 2438 N HIS B 73 17.407 3.864 7.336 1.00 0.00 N ATOM 2439 CA HIS B 73 16.597 4.344 8.484 1.00 0.00 C ATOM 2440 C HIS B 73 15.310 3.532 8.551 1.00 0.00 C ATOM 2441 O HIS B 73 14.549 3.627 9.493 1.00 0.00 O ATOM 2442 CB HIS B 73 16.244 5.815 8.268 1.00 0.00 C ATOM 2443 CG HIS B 73 17.461 6.666 8.489 1.00 0.00 C ATOM 2444 ND1 HIS B 73 17.406 8.053 8.460 1.00 0.00 N ATOM 2445 CD2 HIS B 73 18.772 6.347 8.741 1.00 0.00 C ATOM 2446 CE1 HIS B 73 18.648 8.513 8.691 1.00 0.00 C ATOM 2447 NE2 HIS B 73 19.516 7.515 8.868 1.00 0.00 N ATOM 0 H HIS B 73 17.339 4.434 6.493 1.00 0.00 H new ATOM 0 HA HIS B 73 17.161 4.231 9.410 1.00 0.00 H new ATOM 0 HB2 HIS B 73 15.864 5.963 7.257 1.00 0.00 H new ATOM 0 HB3 HIS B 73 15.451 6.113 8.954 1.00 0.00 H new ATOM 0 HD2 HIS B 73 19.165 5.345 8.827 1.00 0.00 H new ATOM 0 HE1 HIS B 73 18.911 9.560 8.729 1.00 0.00 H new ATOM 0 HE2 HIS B 73 20.515 7.593 9.057 1.00 0.00 H new ATOM 2455 N HIS B 74 15.050 2.745 7.541 1.00 0.00 N ATOM 2456 CA HIS B 74 13.800 1.937 7.525 1.00 0.00 C ATOM 2457 C HIS B 74 14.081 0.525 8.029 1.00 0.00 C ATOM 2458 O HIS B 74 14.572 -0.319 7.306 1.00 0.00 O ATOM 2459 CB HIS B 74 13.269 1.857 6.097 1.00 0.00 C ATOM 2460 CG HIS B 74 13.179 3.240 5.518 1.00 0.00 C ATOM 2461 ND1 HIS B 74 13.917 3.627 4.409 1.00 0.00 N ATOM 2462 CD2 HIS B 74 12.444 4.342 5.884 1.00 0.00 C ATOM 2463 CE1 HIS B 74 13.612 4.912 4.146 1.00 0.00 C ATOM 2464 NE2 HIS B 74 12.721 5.392 5.015 1.00 0.00 N ATOM 0 H HIS B 74 15.652 2.628 6.726 1.00 0.00 H new ATOM 0 HA HIS B 74 13.063 2.411 8.173 1.00 0.00 H new ATOM 0 HB2 HIS B 74 13.927 1.238 5.487 1.00 0.00 H new ATOM 0 HB3 HIS B 74 12.287 1.383 6.089 1.00 0.00 H new ATOM 0 HD2 HIS B 74 11.758 4.386 6.717 1.00 0.00 H new ATOM 0 HE1 HIS B 74 14.036 5.483 3.333 1.00 0.00 H new ATOM 0 HE2 HIS B 74 12.326 6.332 5.037 1.00 0.00 H new ATOM 2472 N HIS B 75 13.746 0.255 9.260 1.00 0.00 N ATOM 2473 CA HIS B 75 13.960 -1.111 9.811 1.00 0.00 C ATOM 2474 C HIS B 75 12.676 -1.909 9.585 1.00 0.00 C ATOM 2475 O HIS B 75 11.617 -1.530 10.046 1.00 0.00 O ATOM 2476 CB HIS B 75 14.260 -1.004 11.314 1.00 0.00 C ATOM 2477 CG HIS B 75 14.201 -2.365 11.972 1.00 0.00 C ATOM 2478 ND1 HIS B 75 13.209 -3.320 12.062 1.00 0.00 N flip ATOM 2479 CD2 HIS B 75 15.286 -2.890 12.664 1.00 0.00 C flip ATOM 2480 CE1 HIS B 75 13.677 -4.408 12.788 1.00 0.00 C flip ATOM 2481 NE2 HIS B 75 14.928 -4.100 13.132 1.00 0.00 N flip ATOM 0 H HIS B 75 13.332 0.924 9.909 1.00 0.00 H new ATOM 0 HA HIS B 75 14.799 -1.606 9.321 1.00 0.00 H new ATOM 0 HB2 HIS B 75 15.247 -0.566 11.462 1.00 0.00 H new ATOM 0 HB3 HIS B 75 13.540 -0.335 11.786 1.00 0.00 H new ATOM 0 HD2 HIS B 75 16.245 -2.412 12.802 1.00 0.00 H new ATOM 0 HE1 HIS B 75 13.140 -5.314 13.025 1.00 0.00 H new ATOM 0 HE2 HIS B 75 15.538 -4.706 13.681 1.00 0.00 H new ATOM 2489 N HIS B 76 12.752 -3.013 8.895 1.00 0.00 N ATOM 2490 CA HIS B 76 11.523 -3.825 8.662 1.00 0.00 C ATOM 2491 C HIS B 76 11.929 -5.205 8.116 1.00 0.00 C ATOM 2492 O HIS B 76 12.855 -5.331 7.341 1.00 0.00 O ATOM 2493 CB HIS B 76 10.585 -3.073 7.668 1.00 0.00 C ATOM 2494 CG HIS B 76 10.147 -3.973 6.532 1.00 0.00 C ATOM 2495 ND1 HIS B 76 11.059 -4.534 5.649 1.00 0.00 N ATOM 2496 CD2 HIS B 76 8.915 -4.449 6.148 1.00 0.00 C ATOM 2497 CE1 HIS B 76 10.373 -5.308 4.790 1.00 0.00 C ATOM 2498 NE2 HIS B 76 9.065 -5.290 5.051 1.00 0.00 N ATOM 0 H HIS B 76 13.607 -3.387 8.484 1.00 0.00 H new ATOM 0 HA HIS B 76 10.979 -3.970 9.596 1.00 0.00 H new ATOM 0 HB2 HIS B 76 9.708 -2.705 8.201 1.00 0.00 H new ATOM 0 HB3 HIS B 76 11.102 -2.202 7.265 1.00 0.00 H new ATOM 0 HD1 HIS B 76 12.068 -4.386 5.651 1.00 0.00 H new ATOM 0 HD2 HIS B 76 7.977 -4.207 6.625 1.00 0.00 H new ATOM 0 HE1 HIS B 76 10.825 -5.874 3.989 1.00 0.00 H new ATOM 2506 N HIS B 77 11.223 -6.229 8.507 1.00 0.00 N ATOM 2507 CA HIS B 77 11.537 -7.596 8.011 1.00 0.00 C ATOM 2508 C HIS B 77 11.368 -7.640 6.489 1.00 0.00 C ATOM 2509 O HIS B 77 10.233 -7.661 6.040 1.00 0.00 O ATOM 2510 CB HIS B 77 10.563 -8.580 8.654 1.00 0.00 C ATOM 2511 CG HIS B 77 11.004 -9.986 8.370 1.00 0.00 C ATOM 2512 ND1 HIS B 77 10.823 -10.583 7.130 1.00 0.00 N ATOM 2513 CD2 HIS B 77 11.620 -10.928 9.155 1.00 0.00 C ATOM 2514 CE1 HIS B 77 11.323 -11.830 7.204 1.00 0.00 C ATOM 2515 NE2 HIS B 77 11.819 -12.087 8.415 1.00 0.00 N ATOM 2516 OXT HIS B 77 12.374 -7.657 5.798 1.00 0.00 O ATOM 0 H HIS B 77 10.436 -6.176 9.154 1.00 0.00 H new ATOM 0 HA HIS B 77 12.564 -7.859 8.267 1.00 0.00 H new ATOM 0 HB2 HIS B 77 10.519 -8.413 9.730 1.00 0.00 H new ATOM 0 HB3 HIS B 77 9.558 -8.418 8.265 1.00 0.00 H new ATOM 0 HD2 HIS B 77 11.906 -10.790 10.187 1.00 0.00 H new ATOM 0 HE1 HIS B 77 11.323 -12.534 6.385 1.00 0.00 H new ATOM 0 HE2 HIS B 77 12.254 -12.954 8.732 1.00 0.00 H new TER 2524 HIS B 77