USER MOD reduce.3.24.130724 H: found=0, std=0, add=1202, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1195 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 NoAdj-H: B 240 HIS HE2 : B 240 HIS NE2 : B 301 ZNZN :(H bumps) USER MOD NoAdj-H: B 242 HIS HD1 : B 242 HIS ND1 : B 301 ZNZN :(H bumps) USER MOD Set 1.1: B 228 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 238 LYS NZ :NH3+ -122:sc= 0.13! (180deg=-3.79!) USER MOD Set 2.1: B 218 THR OG1 : rot 73:sc= 0.967 USER MOD Set 2.2: B 246 LYS NZ :NH3+ 149:sc= -6.18! (180deg=-6.64!) USER MOD Set 3.1: A 98 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=0.03) USER MOD Set 3.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 51 TYR OH : rot -88:sc= 0.975 USER MOD Set 4.2: A 55 GLN : amide:sc= -6.12! C(o=-5.1!,f=-6.8!) USER MOD Set 5.1: A 40 MET CE :methyl 155:sc= -0.329 (180deg=-1.89) USER MOD Set 5.2: B 236 ASN : amide:sc= -0.298 K(o=-0.63,f=-3.5!) USER MOD Single : A 0 SER OG : rot 120:sc= 0.764 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.0896 (180deg=-0.809) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0964 K(o=-0.096,f=-0.83) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -168:sc= -0.0105 (180deg=-0.178) USER MOD Single : A 10 THR OG1 : rot 64:sc= 0.0797 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= -0.0782 (180deg=-0.534) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0802 (180deg=-0.766) USER MOD Single : A 25 LYS NZ :NH3+ -96:sc= -0.639 (180deg=-2!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 31 SER OG : rot 57:sc= 0.963 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-5.6!) USER MOD Single : A 37 LYS NZ :NH3+ -114:sc= -0.0736 (180deg=-2.76!) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.0417 (180deg=-0.489) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-8!) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= -2.97! (180deg=-3.93!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.625 (180deg=-1.05) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 69:sc= -7.48! USER MOD Single : A 53 GLN : amide:sc= -1.06 K(o=-1.1,f=-3!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -6.51! C(o=-6.5!,f=-12!) USER MOD Single : A 61 SER OG : rot 130:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00523 K(o=-0.0052,f=-1.7!) USER MOD Single : A 74 ASN : amide:sc= -0.843 K(o=-0.84,f=-6.6!) USER MOD Single : A 75 HIS : no HE2:sc= -9.94! C(o=-9.9!,f=-14!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -172:sc= -0.0418 (180deg=-0.144) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -4.59! C(o=-4.6!,f=-4.3!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 95 THR OG1 : rot 127:sc= 1.14 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 202 GLN : amide:sc= -1.14 K(o=-1.1,f=-7.7!) USER MOD Single : B 207 TYR OH : rot 180:sc= 0 USER MOD Single : B 208 THR OG1 : rot 180:sc= 0 USER MOD Single : B 210 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.8!) USER MOD Single : B 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 214 HIS : no HE2:sc= -0.607 K(o=-0.61,f=-2.5) USER MOD Single : B 215 HIS : no HE2:sc= -0.0478 X(o=-0.048,f=-0.48) USER MOD Single : B 221 HIS : no HE2:sc= -8.23! C(o=-8.2!,f=-12!) USER MOD Single : B 223 THR OG1 : rot 180:sc= -0.0925 USER MOD Single : B 233 ASN : amide:sc= -0.0507 X(o=-0.051,f=-0.3) USER MOD Single : B 235 TYR OH : rot 180:sc= 0 USER MOD Single : B 237 THR OG1 : rot -94:sc= 0.857 USER MOD Single : B 239 SER OG : rot -62:sc= 0.22! USER MOD Single : B 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 244 MET CE :methyl 172:sc= -1.08 (180deg=-1.58) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 25.656 -15.672 -28.739 1.00 0.00 N ATOM 2 CA GLY A -1 24.879 -14.619 -29.450 1.00 0.00 C ATOM 3 C GLY A -1 23.467 -15.122 -29.724 1.00 0.00 C ATOM 4 O GLY A -1 22.499 -14.369 -29.625 1.00 0.00 O ATOM 0 H1 GLY A -1 26.540 -15.264 -28.374 1.00 0.00 H new ATOM 0 H2 GLY A -1 25.093 -16.043 -27.947 1.00 0.00 H new ATOM 0 H3 GLY A -1 25.877 -16.445 -29.399 1.00 0.00 H new ATOM 0 HA2 GLY A -1 24.842 -13.711 -28.848 1.00 0.00 H new ATOM 0 HA3 GLY A -1 25.372 -14.360 -30.387 1.00 0.00 H new ATOM 10 N SER A 0 23.356 -16.402 -30.066 1.00 0.00 N ATOM 11 CA SER A 0 22.053 -16.995 -30.351 1.00 0.00 C ATOM 12 C SER A 0 21.245 -17.154 -29.067 1.00 0.00 C ATOM 13 O SER A 0 21.799 -17.145 -27.968 1.00 0.00 O ATOM 14 CB SER A 0 22.238 -18.358 -31.016 1.00 0.00 C ATOM 15 OG SER A 0 22.795 -19.268 -30.077 1.00 0.00 O ATOM 0 H SER A 0 24.144 -17.044 -30.152 1.00 0.00 H new ATOM 0 HA SER A 0 21.510 -16.333 -31.026 1.00 0.00 H new ATOM 0 HB2 SER A 0 21.280 -18.732 -31.378 1.00 0.00 H new ATOM 0 HB3 SER A 0 22.892 -18.266 -31.883 1.00 0.00 H new ATOM 0 HG SER A 0 22.181 -20.021 -29.948 1.00 0.00 H new ATOM 21 N MET A 1 19.933 -17.296 -29.214 1.00 0.00 N ATOM 22 CA MET A 1 19.054 -17.452 -28.060 1.00 0.00 C ATOM 23 C MET A 1 19.377 -18.743 -27.313 1.00 0.00 C ATOM 24 O MET A 1 19.360 -18.785 -26.083 1.00 0.00 O ATOM 25 CB MET A 1 17.596 -17.474 -28.515 1.00 0.00 C ATOM 26 CG MET A 1 17.157 -16.058 -28.887 1.00 0.00 C ATOM 27 SD MET A 1 15.415 -16.081 -29.387 1.00 0.00 S ATOM 28 CE MET A 1 15.626 -16.933 -30.972 1.00 0.00 C ATOM 0 H MET A 1 19.456 -17.306 -30.115 1.00 0.00 H new ATOM 0 HA MET A 1 19.211 -16.608 -27.389 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.481 -18.139 -29.371 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.962 -17.866 -27.720 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.295 -15.388 -28.038 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.775 -15.675 -29.699 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.802 -16.674 -31.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.569 -16.628 -31.426 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.634 -18.011 -30.808 1.00 0.00 H new ATOM 38 N SER A 2 19.662 -19.795 -28.073 1.00 0.00 N ATOM 39 CA SER A 2 19.980 -21.093 -27.490 1.00 0.00 C ATOM 40 C SER A 2 21.078 -21.787 -28.286 1.00 0.00 C ATOM 41 O SER A 2 21.195 -21.605 -29.499 1.00 0.00 O ATOM 42 CB SER A 2 18.736 -21.979 -27.444 1.00 0.00 C ATOM 43 OG SER A 2 19.070 -23.237 -26.868 1.00 0.00 O ATOM 0 H SER A 2 19.679 -19.774 -29.093 1.00 0.00 H new ATOM 0 HA SER A 2 20.335 -20.928 -26.473 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.954 -21.495 -26.859 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.340 -22.121 -28.450 1.00 0.00 H new ATOM 0 HG SER A 2 18.272 -23.805 -26.837 1.00 0.00 H new ATOM 49 N ASP A 3 21.880 -22.581 -27.589 1.00 0.00 N ATOM 50 CA ASP A 3 22.973 -23.299 -28.228 1.00 0.00 C ATOM 51 C ASP A 3 22.428 -24.255 -29.278 1.00 0.00 C ATOM 52 O ASP A 3 23.032 -24.431 -30.337 1.00 0.00 O ATOM 53 CB ASP A 3 23.777 -24.088 -27.195 1.00 0.00 C ATOM 54 CG ASP A 3 24.616 -23.138 -26.347 1.00 0.00 C ATOM 55 OD1 ASP A 3 24.764 -21.994 -26.747 1.00 0.00 O1- ATOM 56 OD2 ASP A 3 25.094 -23.566 -25.311 1.00 0.00 O ATOM 0 H ASP A 3 21.794 -22.743 -26.586 1.00 0.00 H new ATOM 0 HA ASP A 3 23.627 -22.568 -28.704 1.00 0.00 H new ATOM 0 HB2 ASP A 3 23.103 -24.659 -26.556 1.00 0.00 H new ATOM 0 HB3 ASP A 3 24.424 -24.807 -27.698 1.00 0.00 H new ATOM 61 N GLN A 4 21.301 -24.891 -28.981 1.00 0.00 N ATOM 62 CA GLN A 4 20.729 -25.841 -29.923 1.00 0.00 C ATOM 63 C GLN A 4 20.413 -25.174 -31.250 1.00 0.00 C ATOM 64 O GLN A 4 20.780 -25.707 -32.291 1.00 0.00 O ATOM 65 CB GLN A 4 19.425 -26.401 -29.343 1.00 0.00 C ATOM 66 CG GLN A 4 18.828 -27.458 -30.285 1.00 0.00 C ATOM 67 CD GLN A 4 19.761 -28.658 -30.370 1.00 0.00 C ATOM 68 OE1 GLN A 4 20.342 -29.066 -29.364 1.00 0.00 O ATOM 69 NE2 GLN A 4 19.948 -29.248 -31.518 1.00 0.00 N ATOM 0 H GLN A 4 20.776 -24.770 -28.115 1.00 0.00 H new ATOM 0 HA GLN A 4 21.456 -26.636 -30.089 1.00 0.00 H new ATOM 0 HB2 GLN A 4 19.615 -26.843 -28.365 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.709 -25.592 -29.194 1.00 0.00 H new ATOM 0 HG2 GLN A 4 17.849 -27.772 -29.921 1.00 0.00 H new ATOM 0 HG3 GLN A 4 18.678 -27.031 -31.277 1.00 0.00 H new ATOM 0 HE21 GLN A 4 19.466 -28.909 -32.350 1.00 0.00 H new ATOM 0 HE22 GLN A 4 20.576 -30.049 -31.583 1.00 0.00 H new ATOM 78 N GLU A 5 19.753 -24.013 -31.198 1.00 0.00 N ATOM 79 CA GLU A 5 19.387 -23.276 -32.411 1.00 0.00 C ATOM 80 C GLU A 5 18.448 -22.117 -32.074 1.00 0.00 C ATOM 81 O GLU A 5 18.833 -20.952 -32.139 1.00 0.00 O ATOM 82 CB GLU A 5 18.688 -24.203 -33.432 1.00 0.00 C ATOM 83 CG GLU A 5 18.283 -23.408 -34.671 1.00 0.00 C ATOM 84 CD GLU A 5 17.640 -24.347 -35.685 1.00 0.00 C ATOM 85 OE1 GLU A 5 17.345 -25.471 -35.315 1.00 0.00 O1- ATOM 86 OE2 GLU A 5 17.463 -23.932 -36.817 1.00 0.00 O ATOM 0 H GLU A 5 19.462 -23.564 -30.330 1.00 0.00 H new ATOM 0 HA GLU A 5 20.307 -22.888 -32.848 1.00 0.00 H new ATOM 0 HB2 GLU A 5 19.357 -25.016 -33.715 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.807 -24.658 -32.978 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.585 -22.617 -34.397 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.157 -22.925 -35.109 1.00 0.00 H new ATOM 93 N ALA A 6 17.204 -22.454 -31.728 1.00 0.00 N ATOM 94 CA ALA A 6 16.211 -21.436 -31.402 1.00 0.00 C ATOM 95 C ALA A 6 15.200 -21.964 -30.397 1.00 0.00 C ATOM 96 O ALA A 6 14.947 -23.166 -30.328 1.00 0.00 O ATOM 97 CB ALA A 6 15.483 -21.014 -32.672 1.00 0.00 C ATOM 0 H ALA A 6 16.865 -23.414 -31.667 1.00 0.00 H new ATOM 0 HA ALA A 6 16.725 -20.582 -30.962 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.741 -20.253 -32.430 1.00 0.00 H new ATOM 0 HB2 ALA A 6 16.201 -20.607 -33.385 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.986 -21.879 -33.111 1.00 0.00 H new ATOM 103 N LYS A 7 14.626 -21.058 -29.612 1.00 0.00 N ATOM 104 CA LYS A 7 13.647 -21.462 -28.613 1.00 0.00 C ATOM 105 C LYS A 7 12.271 -21.669 -29.249 1.00 0.00 C ATOM 106 O LYS A 7 11.921 -20.984 -30.210 1.00 0.00 O ATOM 107 CB LYS A 7 13.552 -20.401 -27.516 1.00 0.00 C ATOM 108 CG LYS A 7 14.435 -20.815 -26.347 1.00 0.00 C ATOM 109 CD LYS A 7 14.476 -19.694 -25.313 1.00 0.00 C ATOM 110 CE LYS A 7 13.239 -19.783 -24.420 1.00 0.00 C ATOM 111 NZ LYS A 7 12.725 -18.413 -24.152 1.00 0.00 N1+ ATOM 0 H LYS A 7 14.818 -20.057 -29.647 1.00 0.00 H new ATOM 0 HA LYS A 7 13.974 -22.407 -28.179 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.868 -19.432 -27.902 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.519 -20.292 -27.187 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.050 -21.728 -25.893 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.443 -21.035 -26.700 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.380 -19.773 -24.710 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.510 -18.725 -25.812 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.469 -20.384 -24.904 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.488 -20.280 -23.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.883 -18.471 -23.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.460 -17.854 -23.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.472 -17.955 -25.051 1.00 0.00 H new ATOM 125 N PRO A 8 11.482 -22.583 -28.733 1.00 0.00 N ATOM 126 CA PRO A 8 10.116 -22.856 -29.273 1.00 0.00 C ATOM 127 C PRO A 8 9.173 -21.669 -29.098 1.00 0.00 C ATOM 128 O PRO A 8 8.203 -21.517 -29.842 1.00 0.00 O ATOM 129 CB PRO A 8 9.613 -24.097 -28.365 1.00 0.00 C ATOM 130 CG PRO A 8 10.431 -23.946 -27.132 1.00 0.00 C ATOM 131 CD PRO A 8 11.795 -23.456 -27.587 1.00 0.00 C ATOM 0 HA PRO A 8 10.131 -23.056 -30.344 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.545 -24.038 -28.153 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.789 -25.055 -28.854 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.972 -23.236 -26.444 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.515 -24.895 -26.602 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.310 -22.911 -26.796 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.442 -24.283 -27.878 1.00 0.00 H new ATOM 139 N SER A 9 9.451 -20.841 -28.098 1.00 0.00 N ATOM 140 CA SER A 9 8.616 -19.678 -27.809 1.00 0.00 C ATOM 141 C SER A 9 7.183 -20.103 -27.464 1.00 0.00 C ATOM 142 O SER A 9 6.445 -19.354 -26.824 1.00 0.00 O ATOM 143 CB SER A 9 8.584 -18.750 -29.024 1.00 0.00 C ATOM 144 OG SER A 9 9.873 -18.720 -29.625 1.00 0.00 O ATOM 0 H SER A 9 10.249 -20.952 -27.472 1.00 0.00 H new ATOM 0 HA SER A 9 9.044 -19.157 -26.952 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.843 -19.098 -29.743 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.287 -17.746 -28.722 1.00 0.00 H new ATOM 0 HG SER A 9 9.856 -18.127 -30.405 1.00 0.00 H new ATOM 150 N THR A 10 6.803 -21.310 -27.879 1.00 0.00 N ATOM 151 CA THR A 10 5.472 -21.824 -27.600 1.00 0.00 C ATOM 152 C THR A 10 5.263 -21.977 -26.100 1.00 0.00 C ATOM 153 O THR A 10 4.217 -21.607 -25.567 1.00 0.00 O ATOM 154 CB THR A 10 5.287 -23.178 -28.292 1.00 0.00 C ATOM 155 OG1 THR A 10 5.388 -23.006 -29.698 1.00 0.00 O ATOM 156 CG2 THR A 10 3.912 -23.743 -27.944 1.00 0.00 C ATOM 0 H THR A 10 7.400 -21.946 -28.408 1.00 0.00 H new ATOM 0 HA THR A 10 4.736 -21.117 -27.983 1.00 0.00 H new ATOM 0 HB THR A 10 6.059 -23.870 -27.954 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.289 -22.694 -29.926 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.779 -24.707 -28.436 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.835 -23.873 -26.865 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.139 -23.053 -28.283 1.00 0.00 H new ATOM 164 N GLU A 11 6.263 -22.540 -25.427 1.00 0.00 N ATOM 165 CA GLU A 11 6.173 -22.751 -23.987 1.00 0.00 C ATOM 166 C GLU A 11 6.056 -21.416 -23.261 1.00 0.00 C ATOM 167 O GLU A 11 5.266 -21.274 -22.327 1.00 0.00 O ATOM 168 CB GLU A 11 7.412 -23.503 -23.490 1.00 0.00 C ATOM 169 CG GLU A 11 7.280 -23.778 -21.989 1.00 0.00 C ATOM 170 CD GLU A 11 8.490 -24.561 -21.490 1.00 0.00 C ATOM 171 OE1 GLU A 11 9.456 -24.655 -22.231 1.00 0.00 O ATOM 172 OE2 GLU A 11 8.435 -25.054 -20.375 1.00 0.00 O1- ATOM 0 H GLU A 11 7.136 -22.855 -25.851 1.00 0.00 H new ATOM 0 HA GLU A 11 5.283 -23.345 -23.778 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.522 -24.441 -24.033 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.309 -22.915 -23.684 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.197 -22.837 -21.445 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.367 -24.341 -21.794 1.00 0.00 H new ATOM 179 N ASP A 12 6.840 -20.439 -23.697 1.00 0.00 N ATOM 180 CA ASP A 12 6.809 -19.119 -23.079 1.00 0.00 C ATOM 181 C ASP A 12 5.830 -18.212 -23.814 1.00 0.00 C ATOM 182 O ASP A 12 6.126 -17.726 -24.906 1.00 0.00 O ATOM 183 CB ASP A 12 8.206 -18.498 -23.109 1.00 0.00 C ATOM 184 CG ASP A 12 8.235 -17.236 -22.252 1.00 0.00 C ATOM 185 OD1 ASP A 12 7.180 -16.823 -21.802 1.00 0.00 O1- ATOM 186 OD2 ASP A 12 9.316 -16.701 -22.058 1.00 0.00 O ATOM 0 H ASP A 12 7.500 -20.533 -24.469 1.00 0.00 H new ATOM 0 HA ASP A 12 6.482 -19.226 -22.045 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.940 -19.215 -22.740 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.484 -18.257 -24.135 1.00 0.00 H new ATOM 191 N LEU A 13 4.668 -17.978 -23.207 1.00 0.00 N ATOM 192 CA LEU A 13 3.658 -17.117 -23.815 1.00 0.00 C ATOM 193 C LEU A 13 3.485 -15.844 -22.996 1.00 0.00 C ATOM 194 O LEU A 13 3.268 -15.894 -21.786 1.00 0.00 O ATOM 195 CB LEU A 13 2.324 -17.866 -23.893 1.00 0.00 C ATOM 196 CG LEU A 13 2.493 -19.134 -24.739 1.00 0.00 C ATOM 197 CD1 LEU A 13 1.180 -19.918 -24.756 1.00 0.00 C ATOM 198 CD2 LEU A 13 2.878 -18.756 -26.173 1.00 0.00 C ATOM 0 H LEU A 13 4.405 -18.369 -22.303 1.00 0.00 H new ATOM 0 HA LEU A 13 3.983 -16.847 -24.820 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.984 -18.128 -22.891 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.560 -17.224 -24.331 1.00 0.00 H new ATOM 0 HG LEU A 13 3.281 -19.750 -24.305 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.302 -20.819 -25.358 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.909 -20.196 -23.737 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.392 -19.299 -25.185 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.997 -19.661 -26.769 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.095 -18.135 -26.608 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.817 -18.202 -26.164 1.00 0.00 H new ATOM 210 N GLY A 14 3.574 -14.703 -23.670 1.00 0.00 N ATOM 211 CA GLY A 14 3.420 -13.418 -23.003 1.00 0.00 C ATOM 212 C GLY A 14 4.700 -13.027 -22.276 1.00 0.00 C ATOM 213 O GLY A 14 5.680 -13.774 -22.278 1.00 0.00 O ATOM 0 H GLY A 14 3.751 -14.642 -24.673 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.164 -12.652 -23.735 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.595 -13.469 -22.293 1.00 0.00 H new ATOM 217 N ASP A 15 4.683 -11.859 -21.643 1.00 0.00 N ATOM 218 CA ASP A 15 5.844 -11.387 -20.899 1.00 0.00 C ATOM 219 C ASP A 15 5.410 -10.612 -19.662 1.00 0.00 C ATOM 220 O ASP A 15 5.052 -9.437 -19.752 1.00 0.00 O ATOM 221 CB ASP A 15 6.705 -10.493 -21.791 1.00 0.00 C ATOM 222 CG ASP A 15 7.973 -10.082 -21.052 1.00 0.00 C ATOM 223 OD1 ASP A 15 8.071 -10.376 -19.872 1.00 0.00 O1- ATOM 224 OD2 ASP A 15 8.828 -9.476 -21.677 1.00 0.00 O ATOM 0 H ASP A 15 3.884 -11.226 -21.630 1.00 0.00 H new ATOM 0 HA ASP A 15 6.426 -12.252 -20.582 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.964 -11.022 -22.708 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.142 -9.607 -22.083 1.00 0.00 H new ATOM 229 N LYS A 16 5.449 -11.270 -18.505 1.00 0.00 N ATOM 230 CA LYS A 16 5.065 -10.623 -17.255 1.00 0.00 C ATOM 231 C LYS A 16 6.130 -10.841 -16.186 1.00 0.00 C ATOM 232 O LYS A 16 6.738 -11.910 -16.111 1.00 0.00 O ATOM 233 CB LYS A 16 3.727 -11.187 -16.771 1.00 0.00 C ATOM 234 CG LYS A 16 2.621 -10.789 -17.748 1.00 0.00 C ATOM 235 CD LYS A 16 1.287 -11.364 -17.273 1.00 0.00 C ATOM 236 CE LYS A 16 0.180 -10.958 -18.247 1.00 0.00 C ATOM 237 NZ LYS A 16 -1.119 -11.529 -17.787 1.00 0.00 N1+ ATOM 0 H LYS A 16 5.740 -12.243 -18.408 1.00 0.00 H new ATOM 0 HA LYS A 16 4.967 -9.552 -17.435 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.785 -12.273 -16.694 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.500 -10.808 -15.775 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.557 -9.703 -17.817 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.853 -11.159 -18.747 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.349 -12.450 -17.209 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.057 -10.999 -16.272 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.112 -9.872 -18.305 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.413 -11.317 -19.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.873 -11.254 -18.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.050 -12.566 -17.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.341 -11.166 -16.838 1.00 0.00 H new ATOM 251 N LYS A 17 6.349 -9.826 -15.356 1.00 0.00 N ATOM 252 CA LYS A 17 7.340 -9.930 -14.290 1.00 0.00 C ATOM 253 C LYS A 17 6.975 -11.045 -13.316 1.00 0.00 C ATOM 254 O LYS A 17 7.825 -11.845 -12.927 1.00 0.00 O ATOM 255 CB LYS A 17 7.437 -8.598 -13.542 1.00 0.00 C ATOM 256 CG LYS A 17 8.040 -7.527 -14.456 1.00 0.00 C ATOM 257 CD LYS A 17 8.102 -6.192 -13.714 1.00 0.00 C ATOM 258 CE LYS A 17 8.634 -5.115 -14.659 1.00 0.00 C ATOM 259 NZ LYS A 17 10.003 -5.474 -15.106 1.00 0.00 N1+ ATOM 0 H LYS A 17 5.860 -8.932 -15.399 1.00 0.00 H new ATOM 0 HA LYS A 17 8.305 -10.167 -14.738 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.448 -8.287 -13.207 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.053 -8.716 -12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.040 -7.825 -14.772 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.438 -7.425 -15.359 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.111 -5.917 -13.352 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.748 -6.278 -12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.974 -5.015 -15.521 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.647 -4.149 -14.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.489 -4.623 -15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.535 -5.874 -14.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.945 -6.177 -15.870 1.00 0.00 H new ATOM 273 N GLU A 18 5.707 -11.088 -12.921 1.00 0.00 N ATOM 274 CA GLU A 18 5.244 -12.104 -11.988 1.00 0.00 C ATOM 275 C GLU A 18 6.177 -12.192 -10.785 1.00 0.00 C ATOM 276 O GLU A 18 6.325 -13.254 -10.180 1.00 0.00 O ATOM 277 CB GLU A 18 5.180 -13.464 -12.681 1.00 0.00 C ATOM 278 CG GLU A 18 4.030 -14.281 -12.094 1.00 0.00 C ATOM 279 CD GLU A 18 2.693 -13.668 -12.497 1.00 0.00 C ATOM 280 OE1 GLU A 18 2.668 -12.946 -13.479 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 1.715 -13.930 -11.817 1.00 0.00 O ATOM 0 H GLU A 18 4.987 -10.435 -13.231 1.00 0.00 H new ATOM 0 HA GLU A 18 4.248 -11.824 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.036 -13.331 -13.753 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.122 -13.996 -12.550 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.088 -15.311 -12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.112 -14.311 -11.008 1.00 0.00 H new ATOM 288 N GLY A 19 6.800 -11.067 -10.448 1.00 0.00 N ATOM 289 CA GLY A 19 7.721 -11.014 -9.315 1.00 0.00 C ATOM 290 C GLY A 19 7.239 -10.021 -8.262 1.00 0.00 C ATOM 291 O GLY A 19 6.932 -10.398 -7.131 1.00 0.00 O ATOM 0 H GLY A 19 6.685 -10.181 -10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.813 -12.005 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.714 -10.727 -9.662 1.00 0.00 H new ATOM 295 N GLU A 20 7.185 -8.749 -8.642 1.00 0.00 N ATOM 296 CA GLU A 20 6.748 -7.711 -7.720 1.00 0.00 C ATOM 297 C GLU A 20 5.301 -7.955 -7.291 1.00 0.00 C ATOM 298 O GLU A 20 4.950 -7.773 -6.126 1.00 0.00 O ATOM 299 CB GLU A 20 6.863 -6.334 -8.390 1.00 0.00 C ATOM 300 CG GLU A 20 6.429 -5.229 -7.415 1.00 0.00 C ATOM 301 CD GLU A 20 7.386 -5.185 -6.230 1.00 0.00 C ATOM 302 OE1 GLU A 20 8.490 -5.687 -6.369 1.00 0.00 O ATOM 303 OE2 GLU A 20 7.003 -4.654 -5.201 1.00 0.00 O1- ATOM 0 H GLU A 20 7.436 -8.416 -9.573 1.00 0.00 H new ATOM 0 HA GLU A 20 7.387 -7.738 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.891 -6.163 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.241 -6.304 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.420 -4.265 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.413 -5.416 -7.068 1.00 0.00 H new ATOM 310 N TYR A 21 4.463 -8.351 -8.251 1.00 0.00 N ATOM 311 CA TYR A 21 3.044 -8.606 -7.976 1.00 0.00 C ATOM 312 C TYR A 21 2.827 -10.083 -7.674 1.00 0.00 C ATOM 313 O TYR A 21 3.621 -10.923 -8.091 1.00 0.00 O ATOM 314 CB TYR A 21 2.185 -8.173 -9.159 1.00 0.00 C ATOM 315 CG TYR A 21 2.345 -6.685 -9.375 1.00 0.00 C ATOM 316 CD1 TYR A 21 1.504 -5.774 -8.716 1.00 0.00 C ATOM 317 CD2 TYR A 21 3.337 -6.215 -10.246 1.00 0.00 C ATOM 318 CE1 TYR A 21 1.656 -4.397 -8.934 1.00 0.00 C ATOM 319 CE2 TYR A 21 3.487 -4.841 -10.461 1.00 0.00 C ATOM 320 CZ TYR A 21 2.647 -3.933 -9.806 1.00 0.00 C ATOM 321 OH TYR A 21 2.795 -2.579 -10.022 1.00 0.00 O ATOM 0 H TYR A 21 4.738 -8.502 -9.221 1.00 0.00 H new ATOM 0 HA TYR A 21 2.747 -8.023 -7.105 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.481 -8.716 -10.056 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.139 -8.414 -8.971 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.741 -6.133 -8.042 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.986 -6.914 -10.752 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.009 -3.695 -8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.252 -4.480 -11.133 1.00 0.00 H new ATOM 0 HH TYR A 21 3.529 -2.427 -10.653 1.00 0.00 H new ATOM 331 N ILE A 22 1.763 -10.407 -6.929 1.00 0.00 N ATOM 332 CA ILE A 22 1.480 -11.790 -6.564 1.00 0.00 C ATOM 333 C ILE A 22 0.015 -12.080 -6.810 1.00 0.00 C ATOM 334 O ILE A 22 -0.766 -11.157 -7.010 1.00 0.00 O ATOM 335 CB ILE A 22 1.808 -12.021 -5.085 1.00 0.00 C ATOM 336 CG1 ILE A 22 0.873 -11.191 -4.185 1.00 0.00 C ATOM 337 CG2 ILE A 22 3.255 -11.608 -4.834 1.00 0.00 C ATOM 338 CD1 ILE A 22 1.175 -11.490 -2.724 1.00 0.00 C ATOM 0 H ILE A 22 1.090 -9.730 -6.571 1.00 0.00 H new ATOM 0 HA ILE A 22 2.095 -12.455 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 22 1.668 -13.076 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.008 -10.128 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.167 -11.427 -4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.502 -11.767 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.918 -12.208 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.380 -10.554 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.513 -10.902 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.017 -12.551 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.211 -11.231 -2.506 1.00 0.00 H new ATOM 350 N LYS A 23 -0.367 -13.346 -6.765 1.00 0.00 N ATOM 351 CA LYS A 23 -1.767 -13.700 -6.961 1.00 0.00 C ATOM 352 C LYS A 23 -2.431 -14.016 -5.639 1.00 0.00 C ATOM 353 O LYS A 23 -2.362 -15.151 -5.162 1.00 0.00 O ATOM 354 CB LYS A 23 -1.854 -14.912 -7.889 1.00 0.00 C ATOM 355 CG LYS A 23 -3.311 -15.237 -8.212 1.00 0.00 C ATOM 356 CD LYS A 23 -3.355 -16.379 -9.227 1.00 0.00 C ATOM 357 CE LYS A 23 -4.807 -16.688 -9.557 1.00 0.00 C ATOM 358 NZ LYS A 23 -5.432 -15.498 -10.204 1.00 0.00 N1+ ATOM 0 H LYS A 23 0.258 -14.134 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.286 -12.853 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.307 -14.711 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.379 -15.773 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.843 -15.520 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.812 -14.357 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.814 -16.101 -10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.864 -17.263 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.865 -17.550 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.350 -16.949 -8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.300 -15.788 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.667 -14.791 -9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.766 -15.084 -10.887 1.00 0.00 H new ATOM 372 N LEU A 24 -3.105 -13.014 -5.056 1.00 0.00 N ATOM 373 CA LEU A 24 -3.808 -13.203 -3.800 1.00 0.00 C ATOM 374 C LEU A 24 -5.311 -13.125 -4.011 1.00 0.00 C ATOM 375 O LEU A 24 -5.827 -12.173 -4.597 1.00 0.00 O ATOM 376 CB LEU A 24 -3.346 -12.176 -2.754 1.00 0.00 C ATOM 377 CG LEU A 24 -4.210 -12.291 -1.490 1.00 0.00 C ATOM 378 CD1 LEU A 24 -4.163 -13.704 -0.945 1.00 0.00 C ATOM 379 CD2 LEU A 24 -3.645 -11.369 -0.414 1.00 0.00 C ATOM 0 H LEU A 24 -3.172 -12.072 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.569 -14.197 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.298 -12.344 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.419 -11.169 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.235 -12.022 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.780 -13.769 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.541 -14.397 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.134 -13.964 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.254 -11.445 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.620 -11.662 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.657 -10.340 -0.774 1.00 0.00 H new ATOM 391 N LYS A 25 -5.995 -14.159 -3.547 1.00 0.00 N ATOM 392 CA LYS A 25 -7.440 -14.262 -3.691 1.00 0.00 C ATOM 393 C LYS A 25 -8.107 -14.855 -2.458 1.00 0.00 C ATOM 394 O LYS A 25 -7.445 -15.411 -1.580 1.00 0.00 O ATOM 395 CB LYS A 25 -7.761 -15.079 -4.940 1.00 0.00 C ATOM 396 CG LYS A 25 -6.826 -16.288 -5.027 1.00 0.00 C ATOM 397 CD LYS A 25 -7.112 -17.050 -6.315 1.00 0.00 C ATOM 398 CE LYS A 25 -6.115 -18.196 -6.448 1.00 0.00 C ATOM 399 NZ LYS A 25 -6.384 -18.960 -7.696 1.00 0.00 N1+ ATOM 0 H LYS A 25 -5.567 -14.948 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.845 -13.256 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.798 -15.412 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.651 -14.458 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.786 -15.961 -5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.972 -16.939 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.131 -17.437 -6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.034 -16.382 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.098 -17.805 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.190 -18.856 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.976 -19.786 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.880 -18.350 -8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.484 -19.279 -8.109 1.00 0.00 H new ATOM 413 N VAL A 26 -9.428 -14.733 -2.415 1.00 0.00 N ATOM 414 CA VAL A 26 -10.188 -15.269 -1.294 1.00 0.00 C ATOM 415 C VAL A 26 -11.417 -16.031 -1.777 1.00 0.00 C ATOM 416 O VAL A 26 -11.960 -15.742 -2.845 1.00 0.00 O ATOM 417 CB VAL A 26 -10.624 -14.127 -0.377 1.00 0.00 C ATOM 418 CG1 VAL A 26 -9.381 -13.394 0.138 1.00 0.00 C ATOM 419 CG2 VAL A 26 -11.508 -13.151 -1.157 1.00 0.00 C ATOM 0 H VAL A 26 -9.989 -14.274 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.548 -15.961 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.189 -14.528 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.685 -12.578 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.752 -14.090 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.820 -12.992 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.818 -12.337 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.947 -12.745 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.389 -13.675 -1.527 1.00 0.00 H new ATOM 429 N ILE A 27 -11.850 -16.998 -0.977 1.00 0.00 N ATOM 430 CA ILE A 27 -13.019 -17.795 -1.318 1.00 0.00 C ATOM 431 C ILE A 27 -13.804 -18.209 -0.062 1.00 0.00 C ATOM 432 O ILE A 27 -13.553 -19.252 0.536 1.00 0.00 O ATOM 433 CB ILE A 27 -12.581 -19.031 -2.117 1.00 0.00 C ATOM 434 CG1 ILE A 27 -11.416 -19.740 -1.395 1.00 0.00 C ATOM 435 CG2 ILE A 27 -12.136 -18.620 -3.526 1.00 0.00 C ATOM 436 CD1 ILE A 27 -11.125 -21.073 -2.076 1.00 0.00 C ATOM 0 H ILE A 27 -11.410 -17.248 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.686 -17.188 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.427 -19.714 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.527 -19.110 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.670 -19.903 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.828 -19.505 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -12.965 -18.137 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.298 -17.926 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.302 -21.571 -1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.013 -21.704 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.852 -20.898 -3.117 1.00 0.00 H new ATOM 448 N GLY A 28 -14.767 -17.400 0.336 1.00 0.00 N ATOM 449 CA GLY A 28 -15.566 -17.721 1.509 1.00 0.00 C ATOM 450 C GLY A 28 -16.474 -18.907 1.229 1.00 0.00 C ATOM 451 O GLY A 28 -16.709 -19.273 0.075 1.00 0.00 O ATOM 0 H GLY A 28 -15.015 -16.526 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.912 -17.948 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.165 -16.857 1.795 1.00 0.00 H new ATOM 455 N GLN A 29 -16.974 -19.504 2.298 1.00 0.00 N ATOM 456 CA GLN A 29 -17.857 -20.654 2.188 1.00 0.00 C ATOM 457 C GLN A 29 -19.132 -20.273 1.453 1.00 0.00 C ATOM 458 O GLN A 29 -19.690 -21.076 0.708 1.00 0.00 O ATOM 459 CB GLN A 29 -18.210 -21.200 3.571 1.00 0.00 C ATOM 460 CG GLN A 29 -19.045 -22.478 3.421 1.00 0.00 C ATOM 461 CD GLN A 29 -19.332 -23.078 4.793 1.00 0.00 C ATOM 462 OE1 GLN A 29 -18.702 -22.701 5.781 1.00 0.00 O ATOM 463 NE2 GLN A 29 -20.248 -24.000 4.916 1.00 0.00 N ATOM 0 H GLN A 29 -16.783 -19.210 3.256 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.334 -21.428 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.300 -21.412 4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.767 -20.453 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -19.981 -22.253 2.911 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.511 -23.200 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -20.770 -24.313 4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -20.442 -24.408 5.831 1.00 0.00 H new ATOM 472 N ASP A 30 -19.619 -19.063 1.704 1.00 0.00 N ATOM 473 CA ASP A 30 -20.869 -18.634 1.093 1.00 0.00 C ATOM 474 C ASP A 30 -20.852 -18.819 -0.421 1.00 0.00 C ATOM 475 O ASP A 30 -21.745 -19.469 -0.956 1.00 0.00 O ATOM 476 CB ASP A 30 -21.078 -17.146 1.382 1.00 0.00 C ATOM 477 CG ASP A 30 -19.879 -16.335 0.880 1.00 0.00 C ATOM 478 OD1 ASP A 30 -18.826 -16.920 0.686 1.00 0.00 O1- ATOM 479 OD2 ASP A 30 -20.023 -15.132 0.735 1.00 0.00 O ATOM 0 H ASP A 30 -19.177 -18.375 2.314 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.670 -19.242 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.990 -16.799 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.208 -16.991 2.453 1.00 0.00 H new ATOM 484 N SER A 31 -19.819 -18.287 -1.080 1.00 0.00 N ATOM 485 CA SER A 31 -19.672 -18.415 -2.538 1.00 0.00 C ATOM 486 C SER A 31 -18.967 -17.196 -3.132 1.00 0.00 C ATOM 487 O SER A 31 -19.540 -16.471 -3.945 1.00 0.00 O ATOM 488 CB SER A 31 -21.038 -18.578 -3.227 1.00 0.00 C ATOM 489 OG SER A 31 -21.414 -19.948 -3.208 1.00 0.00 O ATOM 0 H SER A 31 -19.070 -17.762 -0.629 1.00 0.00 H new ATOM 0 HA SER A 31 -19.070 -19.306 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.790 -17.976 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.985 -18.218 -4.254 1.00 0.00 H new ATOM 0 HG SER A 31 -21.421 -20.273 -2.283 1.00 0.00 H new ATOM 495 N SER A 32 -17.726 -16.965 -2.717 1.00 0.00 N ATOM 496 CA SER A 32 -16.968 -15.825 -3.221 1.00 0.00 C ATOM 497 C SER A 32 -15.821 -16.303 -4.104 1.00 0.00 C ATOM 498 O SER A 32 -15.131 -17.266 -3.775 1.00 0.00 O ATOM 499 CB SER A 32 -16.407 -15.017 -2.052 1.00 0.00 C ATOM 500 OG SER A 32 -17.482 -14.490 -1.284 1.00 0.00 O ATOM 0 H SER A 32 -17.228 -17.544 -2.041 1.00 0.00 H new ATOM 0 HA SER A 32 -17.635 -15.196 -3.811 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.775 -15.649 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.779 -14.207 -2.423 1.00 0.00 H new ATOM 0 HG SER A 32 -17.124 -13.973 -0.532 1.00 0.00 H new ATOM 506 N GLU A 33 -15.615 -15.618 -5.225 1.00 0.00 N ATOM 507 CA GLU A 33 -14.536 -15.980 -6.134 1.00 0.00 C ATOM 508 C GLU A 33 -13.898 -14.718 -6.695 1.00 0.00 C ATOM 509 O GLU A 33 -14.467 -14.078 -7.578 1.00 0.00 O ATOM 510 CB GLU A 33 -15.092 -16.830 -7.280 1.00 0.00 C ATOM 511 CG GLU A 33 -13.949 -17.268 -8.198 1.00 0.00 C ATOM 512 CD GLU A 33 -14.487 -18.167 -9.307 1.00 0.00 C ATOM 513 OE1 GLU A 33 -15.634 -18.572 -9.208 1.00 0.00 O1- ATOM 514 OE2 GLU A 33 -13.746 -18.431 -10.237 1.00 0.00 O ATOM 0 H GLU A 33 -16.174 -14.819 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.784 -16.554 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.606 -17.704 -6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.827 -16.258 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.463 -16.393 -8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.192 -17.800 -7.622 1.00 0.00 H new ATOM 521 N ILE A 34 -12.713 -14.376 -6.194 1.00 0.00 N ATOM 522 CA ILE A 34 -12.014 -13.182 -6.663 1.00 0.00 C ATOM 523 C ILE A 34 -10.625 -13.549 -7.159 1.00 0.00 C ATOM 524 O ILE A 34 -9.874 -14.211 -6.457 1.00 0.00 O ATOM 525 CB ILE A 34 -11.895 -12.181 -5.516 1.00 0.00 C ATOM 526 CG1 ILE A 34 -13.296 -11.869 -4.976 1.00 0.00 C ATOM 527 CG2 ILE A 34 -11.235 -10.888 -6.013 1.00 0.00 C ATOM 528 CD1 ILE A 34 -14.204 -11.275 -6.071 1.00 0.00 C ATOM 0 H ILE A 34 -12.221 -14.902 -5.472 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.579 -12.739 -7.483 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.280 -12.609 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.747 -12.780 -4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.219 -11.167 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.154 -10.180 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.240 -11.112 -6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.841 -10.452 -6.807 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.189 -11.066 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.765 -10.350 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.301 -11.988 -6.890 1.00 0.00 H new ATOM 540 N HIS A 35 -10.286 -13.116 -8.370 1.00 0.00 N ATOM 541 CA HIS A 35 -8.969 -13.414 -8.927 1.00 0.00 C ATOM 542 C HIS A 35 -8.269 -12.146 -9.405 1.00 0.00 C ATOM 543 O HIS A 35 -8.608 -11.608 -10.459 1.00 0.00 O ATOM 544 CB HIS A 35 -9.126 -14.375 -10.099 1.00 0.00 C ATOM 545 CG HIS A 35 -9.757 -15.652 -9.619 1.00 0.00 C ATOM 546 ND1 HIS A 35 -9.065 -16.569 -8.846 1.00 0.00 N ATOM 547 CD2 HIS A 35 -11.014 -16.176 -9.787 1.00 0.00 C ATOM 548 CE1 HIS A 35 -9.900 -17.590 -8.583 1.00 0.00 C ATOM 549 NE2 HIS A 35 -11.101 -17.401 -9.134 1.00 0.00 N ATOM 0 H HIS A 35 -10.894 -12.566 -8.977 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.360 -13.866 -8.144 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.743 -13.921 -10.875 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.154 -14.583 -10.546 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.814 -15.708 -10.342 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.632 -18.457 -7.998 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.909 -18.022 -9.086 1.00 0.00 H new ATOM 557 N PHE A 36 -7.286 -11.671 -8.644 1.00 0.00 N ATOM 558 CA PHE A 36 -6.555 -10.477 -9.033 1.00 0.00 C ATOM 559 C PHE A 36 -5.188 -10.479 -8.364 1.00 0.00 C ATOM 560 O PHE A 36 -4.971 -11.195 -7.387 1.00 0.00 O ATOM 561 CB PHE A 36 -7.349 -9.230 -8.631 1.00 0.00 C ATOM 562 CG PHE A 36 -7.334 -9.058 -7.132 1.00 0.00 C ATOM 563 CD1 PHE A 36 -7.942 -10.011 -6.309 1.00 0.00 C ATOM 564 CD2 PHE A 36 -6.681 -7.958 -6.564 1.00 0.00 C ATOM 565 CE1 PHE A 36 -7.915 -9.855 -4.918 1.00 0.00 C ATOM 566 CE2 PHE A 36 -6.658 -7.797 -5.177 1.00 0.00 C ATOM 567 CZ PHE A 36 -7.271 -8.752 -4.352 1.00 0.00 C ATOM 0 H PHE A 36 -6.983 -12.091 -7.765 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.418 -10.467 -10.114 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.921 -8.349 -9.109 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.377 -9.316 -8.983 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.433 -10.868 -6.747 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.194 -7.233 -7.199 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.392 -10.587 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.169 -6.939 -4.740 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.245 -8.634 -3.279 1.00 0.00 H new ATOM 577 N LYS A 37 -4.281 -9.668 -8.886 1.00 0.00 N ATOM 578 CA LYS A 37 -2.935 -9.572 -8.326 1.00 0.00 C ATOM 579 C LYS A 37 -2.674 -8.239 -7.623 1.00 0.00 C ATOM 580 O LYS A 37 -3.105 -7.182 -8.084 1.00 0.00 O ATOM 581 CB LYS A 37 -1.895 -9.739 -9.431 1.00 0.00 C ATOM 582 CG LYS A 37 -1.960 -11.139 -10.051 1.00 0.00 C ATOM 583 CD LYS A 37 -0.944 -11.218 -11.186 1.00 0.00 C ATOM 584 CE LYS A 37 -1.044 -12.575 -11.854 1.00 0.00 C ATOM 585 NZ LYS A 37 -0.602 -13.628 -10.898 1.00 0.00 N1+ ATOM 0 H LYS A 37 -4.448 -9.067 -9.693 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.856 -10.368 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.059 -8.989 -10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.899 -9.565 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.745 -11.897 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.963 -11.340 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.131 -10.427 -11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.063 -11.064 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.070 -12.763 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.424 -12.598 -12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.273 -14.069 -11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.426 -13.200 -9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.344 -14.352 -10.811 1.00 0.00 H new ATOM 599 N VAL A 38 -1.978 -8.315 -6.484 1.00 0.00 N ATOM 600 CA VAL A 38 -1.666 -7.126 -5.692 1.00 0.00 C ATOM 601 C VAL A 38 -0.172 -7.070 -5.402 1.00 0.00 C ATOM 602 O VAL A 38 0.474 -8.095 -5.212 1.00 0.00 O ATOM 603 CB VAL A 38 -2.424 -7.153 -4.354 1.00 0.00 C ATOM 604 CG1 VAL A 38 -1.782 -8.177 -3.414 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.372 -5.762 -3.719 1.00 0.00 C ATOM 0 H VAL A 38 -1.622 -9.187 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.969 -6.250 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.462 -7.436 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.323 -8.192 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.823 -9.166 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.742 -7.903 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.908 -5.775 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.334 -5.480 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.837 -5.039 -4.389 1.00 0.00 H new ATOM 615 N LYS A 39 0.364 -5.861 -5.379 1.00 0.00 N ATOM 616 CA LYS A 39 1.783 -5.654 -5.118 1.00 0.00 C ATOM 617 C LYS A 39 2.154 -6.094 -3.714 1.00 0.00 C ATOM 618 O LYS A 39 1.402 -5.882 -2.763 1.00 0.00 O ATOM 619 CB LYS A 39 2.115 -4.181 -5.315 1.00 0.00 C ATOM 620 CG LYS A 39 1.429 -3.355 -4.230 1.00 0.00 C ATOM 621 CD LYS A 39 1.694 -1.879 -4.481 1.00 0.00 C ATOM 622 CE LYS A 39 1.073 -1.055 -3.357 1.00 0.00 C ATOM 623 NZ LYS A 39 -0.399 -1.192 -3.427 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.163 -5.003 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 39 2.361 -6.260 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.194 -4.032 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.786 -3.852 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.356 -3.549 -4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.803 -3.642 -3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.767 -1.694 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.273 -1.581 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.439 -1.399 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.360 -0.008 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.846 -0.404 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.702 -1.176 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.685 -2.093 -2.993 1.00 0.00 H new ATOM 637 N MET A 40 3.327 -6.716 -3.595 1.00 0.00 N ATOM 638 CA MET A 40 3.798 -7.189 -2.303 1.00 0.00 C ATOM 639 C MET A 40 4.878 -6.253 -1.757 1.00 0.00 C ATOM 640 O MET A 40 6.073 -6.509 -1.901 1.00 0.00 O ATOM 641 CB MET A 40 4.345 -8.624 -2.430 1.00 0.00 C ATOM 642 CG MET A 40 4.761 -9.140 -1.052 1.00 0.00 C ATOM 643 SD MET A 40 5.314 -10.855 -1.198 1.00 0.00 S ATOM 644 CE MET A 40 6.815 -10.522 -2.146 1.00 0.00 C ATOM 0 H MET A 40 3.960 -6.901 -4.373 1.00 0.00 H new ATOM 0 HA MET A 40 2.961 -7.196 -1.605 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.585 -9.277 -2.859 1.00 0.00 H new ATOM 0 HB3 MET A 40 5.198 -8.640 -3.108 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.561 -8.521 -0.646 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.923 -9.074 -0.358 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.534 -11.325 -1.983 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.570 -10.464 -3.207 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.248 -9.576 -1.821 1.00 0.00 H new ATOM 654 N THR A 41 4.442 -5.167 -1.132 1.00 0.00 N ATOM 655 CA THR A 41 5.377 -4.197 -0.561 1.00 0.00 C ATOM 656 C THR A 41 4.768 -3.499 0.648 1.00 0.00 C ATOM 657 O THR A 41 5.384 -2.630 1.264 1.00 0.00 O ATOM 658 CB THR A 41 5.765 -3.168 -1.620 1.00 0.00 C ATOM 659 OG1 THR A 41 4.600 -2.484 -2.059 1.00 0.00 O ATOM 660 CG2 THR A 41 6.414 -3.878 -2.808 1.00 0.00 C ATOM 0 H THR A 41 3.457 -4.934 -1.006 1.00 0.00 H new ATOM 0 HA THR A 41 6.269 -4.730 -0.231 1.00 0.00 H new ATOM 0 HB THR A 41 6.470 -2.455 -1.194 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.846 -1.821 -2.738 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.691 -3.143 -3.564 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.306 -4.407 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.709 -4.590 -3.236 1.00 0.00 H new ATOM 668 N THR A 42 3.557 -3.910 0.985 1.00 0.00 N ATOM 669 CA THR A 42 2.879 -3.342 2.143 1.00 0.00 C ATOM 670 C THR A 42 2.054 -4.384 2.899 1.00 0.00 C ATOM 671 O THR A 42 1.600 -5.364 2.309 1.00 0.00 O ATOM 672 CB THR A 42 1.963 -2.217 1.684 1.00 0.00 C ATOM 673 OG1 THR A 42 0.978 -2.749 0.811 1.00 0.00 O ATOM 674 CG2 THR A 42 2.782 -1.165 0.932 1.00 0.00 C ATOM 0 H THR A 42 3.028 -4.624 0.484 1.00 0.00 H new ATOM 0 HA THR A 42 3.643 -2.967 2.823 1.00 0.00 H new ATOM 0 HB THR A 42 1.486 -1.758 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.383 -2.030 0.512 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.125 -0.359 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.550 -0.761 1.592 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.255 -1.624 0.064 1.00 0.00 H new ATOM 682 N HIS A 43 1.887 -4.163 4.207 1.00 0.00 N ATOM 683 CA HIS A 43 1.129 -5.091 5.046 1.00 0.00 C ATOM 684 C HIS A 43 -0.052 -5.637 4.255 1.00 0.00 C ATOM 685 O HIS A 43 -0.708 -4.908 3.515 1.00 0.00 O ATOM 686 CB HIS A 43 0.609 -4.364 6.293 1.00 0.00 C ATOM 687 CG HIS A 43 1.469 -3.160 6.565 1.00 0.00 C ATOM 688 ND1 HIS A 43 1.585 -2.125 5.650 1.00 0.00 N ATOM 689 CD2 HIS A 43 2.252 -2.806 7.633 1.00 0.00 C ATOM 690 CE1 HIS A 43 2.415 -1.208 6.180 1.00 0.00 C ATOM 691 NE2 HIS A 43 2.851 -1.572 7.388 1.00 0.00 N ATOM 0 H HIS A 43 2.264 -3.355 4.703 1.00 0.00 H new ATOM 0 HA HIS A 43 1.780 -5.910 5.352 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.427 -4.059 6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.623 -5.036 7.151 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.385 -3.395 8.529 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.695 -0.288 5.687 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.485 -1.058 7.999 1.00 0.00 H new ATOM 699 N LEU A 44 -0.295 -6.932 4.398 1.00 0.00 N ATOM 700 CA LEU A 44 -1.383 -7.582 3.673 1.00 0.00 C ATOM 701 C LEU A 44 -2.683 -6.803 3.854 1.00 0.00 C ATOM 702 O LEU A 44 -3.696 -7.098 3.219 1.00 0.00 O ATOM 703 CB LEU A 44 -1.553 -9.022 4.183 1.00 0.00 C ATOM 704 CG LEU A 44 -2.907 -9.186 4.908 1.00 0.00 C ATOM 705 CD1 LEU A 44 -3.084 -10.639 5.339 1.00 0.00 C ATOM 706 CD2 LEU A 44 -2.956 -8.284 6.144 1.00 0.00 C ATOM 0 H LEU A 44 0.241 -7.552 5.005 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.139 -7.603 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.495 -9.719 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.738 -9.271 4.862 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.708 -8.903 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.040 -10.753 5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.063 -11.284 4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.276 -10.919 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.915 -8.408 6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.151 -8.557 6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.837 -7.244 5.840 1.00 0.00 H new ATOM 718 N LYS A 45 -2.648 -5.833 4.761 1.00 0.00 N ATOM 719 CA LYS A 45 -3.822 -5.038 5.068 1.00 0.00 C ATOM 720 C LYS A 45 -4.288 -4.275 3.847 1.00 0.00 C ATOM 721 O LYS A 45 -5.480 -4.180 3.571 1.00 0.00 O ATOM 722 CB LYS A 45 -3.509 -4.055 6.192 1.00 0.00 C ATOM 723 CG LYS A 45 -4.793 -3.314 6.585 1.00 0.00 C ATOM 724 CD LYS A 45 -4.515 -2.389 7.766 1.00 0.00 C ATOM 725 CE LYS A 45 -5.802 -1.660 8.170 1.00 0.00 C ATOM 726 NZ LYS A 45 -6.204 -0.723 7.084 1.00 0.00 N1+ ATOM 0 H LYS A 45 -1.816 -5.581 5.295 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.617 -5.713 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.103 -4.586 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.749 -3.344 5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.164 -2.736 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.571 -4.030 6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.133 -2.965 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.745 -1.665 7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.598 -2.381 8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.646 -1.111 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.238 -0.607 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.751 0.201 7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.904 -1.107 6.165 1.00 0.00 H new ATOM 740 N LYS A 46 -3.338 -3.731 3.115 1.00 0.00 N ATOM 741 CA LYS A 46 -3.648 -2.962 1.925 1.00 0.00 C ATOM 742 C LYS A 46 -4.255 -3.844 0.871 1.00 0.00 C ATOM 743 O LYS A 46 -4.425 -3.415 -0.269 1.00 0.00 O ATOM 744 CB LYS A 46 -2.383 -2.311 1.378 1.00 0.00 C ATOM 745 CG LYS A 46 -1.772 -1.399 2.450 1.00 0.00 C ATOM 746 CD LYS A 46 -2.500 -0.047 2.538 1.00 0.00 C ATOM 747 CE LYS A 46 -2.004 0.886 1.425 1.00 0.00 C ATOM 748 NZ LYS A 46 -2.678 2.203 1.557 1.00 0.00 N1+ ATOM 0 H LYS A 46 -2.342 -3.807 3.323 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.366 -2.187 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.665 -3.077 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.616 -1.733 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.815 -1.898 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.719 -1.230 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.576 -0.197 2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.323 0.409 3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.923 1.009 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.216 0.452 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.346 2.840 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.707 2.076 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.454 2.616 2.485 1.00 0.00 H new ATOM 762 N LEU A 47 -4.617 -5.060 1.258 1.00 0.00 N ATOM 763 CA LEU A 47 -5.253 -5.963 0.330 1.00 0.00 C ATOM 764 C LEU A 47 -6.650 -6.316 0.802 1.00 0.00 C ATOM 765 O LEU A 47 -7.631 -6.040 0.112 1.00 0.00 O ATOM 766 CB LEU A 47 -4.407 -7.239 0.160 1.00 0.00 C ATOM 767 CG LEU A 47 -4.941 -8.125 -0.972 1.00 0.00 C ATOM 768 CD1 LEU A 47 -6.261 -8.801 -0.575 1.00 0.00 C ATOM 769 CD2 LEU A 47 -5.154 -7.322 -2.242 1.00 0.00 C ATOM 0 H LEU A 47 -4.480 -5.433 2.197 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.332 -5.465 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.373 -6.965 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.405 -7.802 1.093 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.190 -8.893 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.614 -9.422 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.101 -9.423 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.007 -8.039 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.533 -7.976 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.875 -6.527 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.207 -6.885 -2.559 1.00 0.00 H new ATOM 781 N LYS A 48 -6.744 -6.930 1.974 1.00 0.00 N ATOM 782 CA LYS A 48 -8.033 -7.314 2.515 1.00 0.00 C ATOM 783 C LYS A 48 -8.845 -6.096 2.926 1.00 0.00 C ATOM 784 O LYS A 48 -10.066 -6.160 3.023 1.00 0.00 O ATOM 785 CB LYS A 48 -7.831 -8.239 3.716 1.00 0.00 C ATOM 786 CG LYS A 48 -6.990 -7.525 4.795 1.00 0.00 C ATOM 787 CD LYS A 48 -7.897 -6.909 5.873 1.00 0.00 C ATOM 788 CE LYS A 48 -7.073 -6.588 7.123 1.00 0.00 C ATOM 789 NZ LYS A 48 -7.493 -5.268 7.662 1.00 0.00 N1+ ATOM 0 H LYS A 48 -5.946 -7.170 2.562 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.588 -7.839 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.797 -8.529 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.331 -9.155 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.301 -8.234 5.254 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.384 -6.745 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.365 -6.001 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.701 -7.601 6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.216 -7.363 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.011 -6.573 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.800 -4.945 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.546 -4.577 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.427 -5.357 8.110 1.00 0.00 H new ATOM 803 N GLU A 49 -8.162 -4.994 3.166 1.00 0.00 N ATOM 804 CA GLU A 49 -8.838 -3.770 3.572 1.00 0.00 C ATOM 805 C GLU A 49 -9.782 -3.297 2.470 1.00 0.00 C ATOM 806 O GLU A 49 -10.913 -2.892 2.737 1.00 0.00 O ATOM 807 CB GLU A 49 -7.797 -2.678 3.859 1.00 0.00 C ATOM 808 CG GLU A 49 -8.494 -1.406 4.345 1.00 0.00 C ATOM 809 CD GLU A 49 -7.456 -0.321 4.633 1.00 0.00 C ATOM 810 OE1 GLU A 49 -6.300 -0.525 4.297 1.00 0.00 O1- ATOM 811 OE2 GLU A 49 -7.835 0.701 5.184 1.00 0.00 O ATOM 0 H GLU A 49 -7.148 -4.917 3.089 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.418 -3.970 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.091 -3.026 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.222 -2.466 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.199 -1.056 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.070 -1.618 5.245 1.00 0.00 H new ATOM 818 N SER A 50 -9.331 -3.386 1.228 1.00 0.00 N ATOM 819 CA SER A 50 -10.171 -2.992 0.099 1.00 0.00 C ATOM 820 C SER A 50 -11.327 -3.961 -0.073 1.00 0.00 C ATOM 821 O SER A 50 -12.481 -3.557 -0.230 1.00 0.00 O ATOM 822 CB SER A 50 -9.324 -2.932 -1.176 1.00 0.00 C ATOM 823 OG SER A 50 -8.349 -1.903 -1.033 1.00 0.00 O ATOM 0 H SER A 50 -8.402 -3.722 0.974 1.00 0.00 H new ATOM 0 HA SER A 50 -10.588 -2.004 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.837 -3.891 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.957 -2.734 -2.041 1.00 0.00 H new ATOM 0 HG SER A 50 -7.800 -1.857 -1.844 1.00 0.00 H new ATOM 829 N TYR A 51 -11.005 -5.247 -0.015 1.00 0.00 N ATOM 830 CA TYR A 51 -12.011 -6.282 -0.135 1.00 0.00 C ATOM 831 C TYR A 51 -12.994 -6.207 1.023 1.00 0.00 C ATOM 832 O TYR A 51 -14.207 -6.310 0.847 1.00 0.00 O ATOM 833 CB TYR A 51 -11.366 -7.672 -0.216 1.00 0.00 C ATOM 834 CG TYR A 51 -12.440 -8.734 -0.283 1.00 0.00 C ATOM 835 CD1 TYR A 51 -13.073 -9.026 -1.500 1.00 0.00 C ATOM 836 CD2 TYR A 51 -12.786 -9.442 0.867 1.00 0.00 C ATOM 837 CE1 TYR A 51 -14.054 -10.024 -1.555 1.00 0.00 C ATOM 838 CE2 TYR A 51 -13.765 -10.439 0.813 1.00 0.00 C ATOM 839 CZ TYR A 51 -14.399 -10.732 -0.400 1.00 0.00 C ATOM 840 OH TYR A 51 -15.376 -11.707 -0.456 1.00 0.00 O ATOM 0 H TYR A 51 -10.054 -5.593 0.114 1.00 0.00 H new ATOM 0 HA TYR A 51 -12.560 -6.116 -1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.725 -7.734 -1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.731 -7.839 0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.804 -8.482 -2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.296 -9.220 1.803 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -14.545 -10.247 -2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -14.032 -10.983 1.707 1.00 0.00 H new ATOM 0 HH TYR A 51 -16.254 -11.299 -0.306 1.00 0.00 H new ATOM 850 N CYS A 52 -12.443 -6.091 2.221 1.00 0.00 N ATOM 851 CA CYS A 52 -13.261 -6.057 3.426 1.00 0.00 C ATOM 852 C CYS A 52 -14.161 -4.827 3.480 1.00 0.00 C ATOM 853 O CYS A 52 -15.345 -4.920 3.793 1.00 0.00 O ATOM 854 CB CYS A 52 -12.355 -6.020 4.658 1.00 0.00 C ATOM 855 SG CYS A 52 -11.462 -7.583 4.802 1.00 0.00 S ATOM 0 H CYS A 52 -11.439 -6.019 2.386 1.00 0.00 H new ATOM 0 HA CYS A 52 -13.885 -6.951 3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.650 -5.193 4.578 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.950 -5.846 5.554 1.00 0.00 H new ATOM 0 HG CYS A 52 -10.599 -7.680 3.835 1.00 0.00 H new ATOM 861 N GLN A 53 -13.596 -3.672 3.183 1.00 0.00 N ATOM 862 CA GLN A 53 -14.367 -2.437 3.216 1.00 0.00 C ATOM 863 C GLN A 53 -15.428 -2.399 2.128 1.00 0.00 C ATOM 864 O GLN A 53 -16.535 -1.905 2.340 1.00 0.00 O ATOM 865 CB GLN A 53 -13.438 -1.240 3.057 1.00 0.00 C ATOM 866 CG GLN A 53 -12.571 -1.083 4.311 1.00 0.00 C ATOM 867 CD GLN A 53 -11.517 -0.003 4.078 1.00 0.00 C ATOM 868 OE1 GLN A 53 -11.059 0.183 2.951 1.00 0.00 O ATOM 869 NE2 GLN A 53 -11.098 0.719 5.082 1.00 0.00 N ATOM 0 H GLN A 53 -12.617 -3.560 2.919 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.872 -2.394 4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.804 -1.374 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -14.022 -0.335 2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.195 -0.818 5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.088 -2.030 4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.478 0.564 6.016 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.390 1.438 4.933 1.00 0.00 H new ATOM 878 N ARG A 54 -15.070 -2.882 0.945 1.00 0.00 N ATOM 879 CA ARG A 54 -15.990 -2.846 -0.177 1.00 0.00 C ATOM 880 C ARG A 54 -17.062 -3.928 0.000 1.00 0.00 C ATOM 881 O ARG A 54 -18.029 -3.986 -0.761 1.00 0.00 O ATOM 882 CB ARG A 54 -15.231 -3.043 -1.503 1.00 0.00 C ATOM 883 CG ARG A 54 -15.037 -4.523 -1.807 1.00 0.00 C ATOM 884 CD ARG A 54 -14.098 -4.708 -2.992 1.00 0.00 C ATOM 885 NE ARG A 54 -14.158 -6.106 -3.430 1.00 0.00 N ATOM 886 CZ ARG A 54 -15.068 -6.502 -4.325 1.00 0.00 C ATOM 887 NH1 ARG A 54 -15.956 -5.662 -4.789 1.00 0.00 N ATOM 888 NH2 ARG A 54 -15.098 -7.740 -4.722 1.00 0.00 N ATOM 0 H ARG A 54 -14.161 -3.297 0.742 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.476 -1.871 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.783 -2.571 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.261 -2.549 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.631 -5.029 -0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.000 -4.985 -2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.385 -4.044 -3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.079 -4.444 -2.710 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.498 -6.783 -3.048 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.959 -4.694 -4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.646 -5.975 -5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.426 -8.411 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.794 -8.040 -5.405 1.00 0.00 H new ATOM 902 N GLN A 55 -16.887 -4.779 1.019 1.00 0.00 N ATOM 903 CA GLN A 55 -17.859 -5.844 1.298 1.00 0.00 C ATOM 904 C GLN A 55 -18.257 -5.841 2.767 1.00 0.00 C ATOM 905 O GLN A 55 -19.382 -5.481 3.115 1.00 0.00 O ATOM 906 CB GLN A 55 -17.316 -7.237 0.923 1.00 0.00 C ATOM 907 CG GLN A 55 -17.174 -7.340 -0.588 1.00 0.00 C ATOM 908 CD GLN A 55 -16.795 -8.758 -0.984 1.00 0.00 C ATOM 909 OE1 GLN A 55 -16.728 -9.639 -0.131 1.00 0.00 O ATOM 910 NE2 GLN A 55 -16.561 -9.028 -2.239 1.00 0.00 N ATOM 0 H GLN A 55 -16.092 -4.752 1.657 1.00 0.00 H new ATOM 0 HA GLN A 55 -18.733 -5.639 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -16.351 -7.403 1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -17.990 -8.012 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.111 -7.058 -1.069 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.414 -6.641 -0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.619 -8.289 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.320 -9.978 -2.520 1.00 0.00 H new ATOM 919 N GLY A 56 -17.327 -6.239 3.623 1.00 0.00 N ATOM 920 CA GLY A 56 -17.594 -6.271 5.059 1.00 0.00 C ATOM 921 C GLY A 56 -16.300 -6.293 5.856 1.00 0.00 C ATOM 922 O GLY A 56 -15.244 -6.633 5.333 1.00 0.00 O ATOM 0 H GLY A 56 -16.390 -6.542 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.184 -5.399 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.189 -7.151 5.302 1.00 0.00 H new ATOM 926 N VAL A 57 -16.384 -5.926 7.129 1.00 0.00 N ATOM 927 CA VAL A 57 -15.188 -5.917 7.948 1.00 0.00 C ATOM 928 C VAL A 57 -15.046 -7.250 8.684 1.00 0.00 C ATOM 929 O VAL A 57 -16.033 -7.754 9.191 1.00 0.00 O ATOM 930 CB VAL A 57 -15.270 -4.774 8.967 1.00 0.00 C ATOM 931 CG1 VAL A 57 -16.341 -5.080 9.991 1.00 0.00 C ATOM 932 CG2 VAL A 57 -13.935 -4.584 9.688 1.00 0.00 C ATOM 0 H VAL A 57 -17.241 -5.640 7.601 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.319 -5.771 7.306 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.513 -3.858 8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -16.397 -4.266 10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.303 -5.187 9.490 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.096 -6.008 10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.022 -3.767 10.405 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.672 -5.502 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.159 -4.347 8.960 1.00 0.00 H new ATOM 942 N PRO A 58 -13.857 -7.809 8.779 1.00 0.00 N ATOM 943 CA PRO A 58 -13.608 -9.093 9.511 1.00 0.00 C ATOM 944 C PRO A 58 -13.838 -8.979 10.992 1.00 0.00 C ATOM 945 O PRO A 58 -13.965 -9.983 11.692 1.00 0.00 O ATOM 946 CB PRO A 58 -12.155 -9.424 9.198 1.00 0.00 C ATOM 947 CG PRO A 58 -11.528 -8.132 8.838 1.00 0.00 C ATOM 948 CD PRO A 58 -12.609 -7.321 8.164 1.00 0.00 C ATOM 0 HA PRO A 58 -14.300 -9.873 9.193 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.660 -9.875 10.058 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.082 -10.138 8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.151 -7.621 9.724 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.679 -8.282 8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.471 -6.253 8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.609 -7.475 7.085 1.00 0.00 H new ATOM 956 N MET A 59 -13.866 -7.762 11.465 1.00 0.00 N ATOM 957 CA MET A 59 -14.061 -7.537 12.883 1.00 0.00 C ATOM 958 C MET A 59 -15.475 -7.916 13.321 1.00 0.00 C ATOM 959 O MET A 59 -16.210 -7.083 13.851 1.00 0.00 O ATOM 960 CB MET A 59 -13.832 -6.076 13.208 1.00 0.00 C ATOM 961 CG MET A 59 -12.370 -5.717 12.924 1.00 0.00 C ATOM 962 SD MET A 59 -12.056 -3.998 13.405 1.00 0.00 S ATOM 963 CE MET A 59 -10.378 -3.872 12.734 1.00 0.00 C ATOM 0 H MET A 59 -13.758 -6.918 10.903 1.00 0.00 H new ATOM 0 HA MET A 59 -13.347 -8.164 13.416 1.00 0.00 H new ATOM 0 HB2 MET A 59 -14.495 -5.450 12.610 1.00 0.00 H new ATOM 0 HB3 MET A 59 -14.069 -5.883 14.254 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.708 -6.385 13.475 1.00 0.00 H new ATOM 0 HG3 MET A 59 -12.151 -5.854 11.865 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.984 -2.873 12.923 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.738 -4.612 13.215 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.401 -4.055 11.660 1.00 0.00 H new ATOM 973 N ASN A 60 -15.842 -9.179 13.115 1.00 0.00 N ATOM 974 CA ASN A 60 -17.163 -9.656 13.512 1.00 0.00 C ATOM 975 C ASN A 60 -17.342 -11.115 13.090 1.00 0.00 C ATOM 976 O ASN A 60 -17.099 -12.034 13.874 1.00 0.00 O ATOM 977 CB ASN A 60 -18.259 -8.812 12.852 1.00 0.00 C ATOM 978 CG ASN A 60 -17.898 -8.526 11.401 1.00 0.00 C ATOM 979 OD1 ASN A 60 -16.861 -9.116 10.873 1.00 0.00 O ATOM 980 ND2 ASN A 60 -18.569 -7.742 10.731 1.00 0.00 N ATOM 0 H ASN A 60 -15.248 -9.885 12.679 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.244 -9.571 14.596 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.212 -9.338 12.901 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.384 -7.875 13.395 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -18.315 -7.553 9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.379 -7.281 11.145 1.00 0.00 H new ATOM 987 N SER A 61 -17.769 -11.312 11.843 1.00 0.00 N ATOM 988 CA SER A 61 -17.986 -12.661 11.310 1.00 0.00 C ATOM 989 C SER A 61 -16.859 -13.083 10.375 1.00 0.00 C ATOM 990 O SER A 61 -16.270 -14.151 10.536 1.00 0.00 O ATOM 991 CB SER A 61 -19.310 -12.724 10.554 1.00 0.00 C ATOM 992 OG SER A 61 -20.350 -12.239 11.394 1.00 0.00 O ATOM 0 H SER A 61 -17.971 -10.560 11.184 1.00 0.00 H new ATOM 0 HA SER A 61 -18.009 -13.345 12.158 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.252 -12.126 9.644 1.00 0.00 H new ATOM 0 HB3 SER A 61 -19.520 -13.749 10.249 1.00 0.00 H new ATOM 0 HG SER A 61 -20.875 -11.567 10.910 1.00 0.00 H new ATOM 998 N LEU A 62 -16.573 -12.245 9.384 1.00 0.00 N ATOM 999 CA LEU A 62 -15.530 -12.543 8.414 1.00 0.00 C ATOM 1000 C LEU A 62 -14.174 -12.671 9.099 1.00 0.00 C ATOM 1001 O LEU A 62 -13.849 -11.937 10.032 1.00 0.00 O ATOM 1002 CB LEU A 62 -15.497 -11.423 7.365 1.00 0.00 C ATOM 1003 CG LEU A 62 -16.534 -11.671 6.276 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -17.068 -10.326 5.787 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -15.873 -12.392 5.093 1.00 0.00 C ATOM 0 H LEU A 62 -17.049 -11.356 9.233 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.747 -13.495 7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.689 -10.463 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -14.503 -11.364 6.921 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.344 -12.281 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.811 -10.491 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -17.528 -9.793 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.247 -9.733 5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.615 -12.569 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.069 -11.774 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.465 -13.345 5.430 1.00 0.00 H new ATOM 1017 N ARG A 63 -13.411 -13.644 8.633 1.00 0.00 N ATOM 1018 CA ARG A 63 -12.091 -13.936 9.183 1.00 0.00 C ATOM 1019 C ARG A 63 -11.078 -14.213 8.087 1.00 0.00 C ATOM 1020 O ARG A 63 -11.402 -14.807 7.074 1.00 0.00 O ATOM 1021 CB ARG A 63 -12.165 -15.130 10.142 1.00 0.00 C ATOM 1022 CG ARG A 63 -10.742 -15.560 10.547 1.00 0.00 C ATOM 1023 CD ARG A 63 -10.813 -16.621 11.640 1.00 0.00 C ATOM 1024 NE ARG A 63 -11.259 -16.028 12.894 1.00 0.00 N ATOM 1025 CZ ARG A 63 -11.548 -16.786 13.946 1.00 0.00 C ATOM 1026 NH1 ARG A 63 -11.446 -18.083 13.862 1.00 0.00 N ATOM 1027 NH2 ARG A 63 -11.927 -16.230 15.064 1.00 0.00 N ATOM 0 H ARG A 63 -13.685 -14.255 7.864 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.760 -13.054 9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.740 -14.862 11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.684 -15.961 9.664 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.211 -15.953 9.680 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.179 -14.697 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.498 -17.415 11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.833 -17.079 11.775 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.351 -15.015 12.965 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.144 -18.515 12.989 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.668 -18.665 14.670 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.001 -15.215 15.129 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.149 -16.811 15.873 1.00 0.00 H new ATOM 1041 N PHE A 64 -9.844 -13.781 8.313 1.00 0.00 N ATOM 1042 CA PHE A 64 -8.767 -14.016 7.354 1.00 0.00 C ATOM 1043 C PHE A 64 -7.735 -14.978 7.924 1.00 0.00 C ATOM 1044 O PHE A 64 -7.031 -14.633 8.872 1.00 0.00 O ATOM 1045 CB PHE A 64 -8.095 -12.685 6.991 1.00 0.00 C ATOM 1046 CG PHE A 64 -8.996 -11.912 6.074 1.00 0.00 C ATOM 1047 CD1 PHE A 64 -10.061 -11.178 6.590 1.00 0.00 C ATOM 1048 CD2 PHE A 64 -8.775 -11.956 4.694 1.00 0.00 C ATOM 1049 CE1 PHE A 64 -10.904 -10.475 5.725 1.00 0.00 C ATOM 1050 CE2 PHE A 64 -9.617 -11.258 3.832 1.00 0.00 C ATOM 1051 CZ PHE A 64 -10.681 -10.519 4.349 1.00 0.00 C ATOM 0 H PHE A 64 -9.562 -13.268 9.148 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.195 -14.463 6.457 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.893 -12.108 7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.135 -12.868 6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.235 -11.152 7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.952 -12.531 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.727 -9.899 6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.447 -11.289 2.766 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.335 -9.978 3.681 1.00 0.00 H new ATOM 1061 N LEU A 65 -7.633 -16.185 7.354 1.00 0.00 N ATOM 1062 CA LEU A 65 -6.666 -17.145 7.849 1.00 0.00 C ATOM 1063 C LEU A 65 -5.541 -17.254 6.824 1.00 0.00 C ATOM 1064 O LEU A 65 -5.737 -17.773 5.725 1.00 0.00 O ATOM 1065 CB LEU A 65 -7.341 -18.512 7.990 1.00 0.00 C ATOM 1066 CG LEU A 65 -6.559 -19.380 8.977 1.00 0.00 C ATOM 1067 CD1 LEU A 65 -6.987 -19.049 10.414 1.00 0.00 C ATOM 1068 CD2 LEU A 65 -6.827 -20.859 8.698 1.00 0.00 C ATOM 0 H LEU A 65 -8.198 -16.506 6.568 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.277 -16.828 8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.367 -18.387 8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.390 -19.005 7.019 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.495 -19.177 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.427 -19.670 11.113 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.785 -17.998 10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.053 -19.243 10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.266 -21.470 9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.892 -21.063 8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.514 -21.100 7.682 1.00 0.00 H new ATOM 1080 N PHE A 66 -4.378 -16.725 7.175 1.00 0.00 N ATOM 1081 CA PHE A 66 -3.238 -16.723 6.268 1.00 0.00 C ATOM 1082 C PHE A 66 -2.789 -18.152 5.979 1.00 0.00 C ATOM 1083 O PHE A 66 -2.490 -18.498 4.836 1.00 0.00 O ATOM 1084 CB PHE A 66 -2.091 -15.912 6.871 1.00 0.00 C ATOM 1085 CG PHE A 66 -1.151 -15.461 5.774 1.00 0.00 C ATOM 1086 CD1 PHE A 66 -1.611 -14.535 4.830 1.00 0.00 C ATOM 1087 CD2 PHE A 66 0.166 -15.933 5.702 1.00 0.00 C ATOM 1088 CE1 PHE A 66 -0.768 -14.092 3.813 1.00 0.00 C ATOM 1089 CE2 PHE A 66 1.011 -15.487 4.679 1.00 0.00 C ATOM 1090 CZ PHE A 66 0.541 -14.565 3.737 1.00 0.00 C ATOM 0 H PHE A 66 -4.198 -16.292 8.081 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.536 -16.260 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.486 -15.046 7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.551 -16.515 7.600 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.623 -14.163 4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.529 -16.639 6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.129 -13.382 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.025 -15.854 4.617 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.194 -14.219 2.949 1.00 0.00 H new ATOM 1100 N GLU A 67 -2.740 -18.981 7.021 1.00 0.00 N ATOM 1101 CA GLU A 67 -2.326 -20.370 6.868 1.00 0.00 C ATOM 1102 C GLU A 67 -3.155 -21.283 7.775 1.00 0.00 C ATOM 1103 O GLU A 67 -4.097 -21.934 7.327 1.00 0.00 O ATOM 1104 CB GLU A 67 -0.833 -20.512 7.207 1.00 0.00 C ATOM 1105 CG GLU A 67 -0.440 -19.519 8.312 1.00 0.00 C ATOM 1106 CD GLU A 67 1.023 -19.691 8.681 1.00 0.00 C ATOM 1107 OE1 GLU A 67 1.507 -20.809 8.610 1.00 0.00 O1- ATOM 1108 OE2 GLU A 67 1.642 -18.702 9.039 1.00 0.00 O ATOM 0 H GLU A 67 -2.981 -18.714 7.975 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.490 -20.668 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.622 -21.531 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.232 -20.331 6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.619 -18.498 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.065 -19.677 9.191 1.00 0.00 H new ATOM 1115 N GLY A 68 -2.783 -21.327 9.050 1.00 0.00 N ATOM 1116 CA GLY A 68 -3.473 -22.156 10.033 1.00 0.00 C ATOM 1117 C GLY A 68 -3.617 -21.403 11.356 1.00 0.00 C ATOM 1118 O GLY A 68 -3.565 -22.003 12.429 1.00 0.00 O ATOM 0 H GLY A 68 -2.001 -20.794 9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.457 -22.435 9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.919 -23.081 10.192 1.00 0.00 H new ATOM 1122 N GLN A 69 -3.797 -20.089 11.269 1.00 0.00 N ATOM 1123 CA GLN A 69 -3.940 -19.268 12.465 1.00 0.00 C ATOM 1124 C GLN A 69 -4.421 -17.867 12.105 1.00 0.00 C ATOM 1125 O GLN A 69 -4.811 -17.611 10.967 1.00 0.00 O ATOM 1126 CB GLN A 69 -2.612 -19.198 13.218 1.00 0.00 C ATOM 1127 CG GLN A 69 -1.558 -18.551 12.325 1.00 0.00 C ATOM 1128 CD GLN A 69 -0.203 -18.568 13.023 1.00 0.00 C ATOM 1129 OE1 GLN A 69 -0.033 -19.255 14.028 1.00 0.00 O ATOM 1130 NE2 GLN A 69 0.779 -17.861 12.535 1.00 0.00 N ATOM 0 H GLN A 69 -3.847 -19.574 10.390 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.687 -19.729 13.112 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.731 -18.621 14.135 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.293 -20.199 13.510 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.495 -19.085 11.377 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.845 -17.525 12.094 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.633 -17.293 11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.693 -17.877 12.988 1.00 0.00 H new ATOM 1139 N ARG A 70 -4.368 -16.963 13.076 1.00 0.00 N ATOM 1140 CA ARG A 70 -4.791 -15.584 12.847 1.00 0.00 C ATOM 1141 C ARG A 70 -3.605 -14.637 13.008 1.00 0.00 C ATOM 1142 O ARG A 70 -2.777 -14.813 13.903 1.00 0.00 O ATOM 1143 CB ARG A 70 -5.884 -15.199 13.843 1.00 0.00 C ATOM 1144 CG ARG A 70 -7.106 -16.088 13.633 1.00 0.00 C ATOM 1145 CD ARG A 70 -8.154 -15.767 14.702 1.00 0.00 C ATOM 1146 NE ARG A 70 -8.673 -14.420 14.511 1.00 0.00 N ATOM 1147 CZ ARG A 70 -9.530 -13.887 15.374 1.00 0.00 C ATOM 1148 NH1 ARG A 70 -9.919 -14.572 16.415 1.00 0.00 N ATOM 1149 NH2 ARG A 70 -9.986 -12.680 15.179 1.00 0.00 N ATOM 0 H ARG A 70 -4.039 -17.156 14.022 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.181 -15.504 11.832 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.515 -15.307 14.863 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.157 -14.152 13.712 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.522 -15.925 12.639 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.820 -17.138 13.691 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.969 -16.489 14.651 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.711 -15.856 15.694 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.373 -13.877 13.701 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.565 -15.517 16.565 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.577 -14.163 17.078 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.684 -12.146 14.364 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.644 -12.270 15.842 1.00 0.00 H new ATOM 1163 N ILE A 71 -3.527 -13.641 12.128 1.00 0.00 N ATOM 1164 CA ILE A 71 -2.436 -12.672 12.164 1.00 0.00 C ATOM 1165 C ILE A 71 -2.973 -11.243 12.193 1.00 0.00 C ATOM 1166 O ILE A 71 -4.092 -10.979 11.754 1.00 0.00 O ATOM 1167 CB ILE A 71 -1.537 -12.862 10.932 1.00 0.00 C ATOM 1168 CG1 ILE A 71 -2.359 -12.649 9.648 1.00 0.00 C ATOM 1169 CG2 ILE A 71 -0.958 -14.279 10.938 1.00 0.00 C ATOM 1170 CD1 ILE A 71 -1.433 -12.616 8.430 1.00 0.00 C ATOM 0 H ILE A 71 -4.206 -13.485 11.383 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.857 -12.839 13.072 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.726 -12.135 10.963 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.090 -13.450 9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.918 -11.715 9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.320 -14.415 10.065 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.370 -14.428 11.844 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.771 -15.004 10.910 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.025 -12.465 7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.720 -11.799 8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.894 -13.561 8.357 1.00 0.00 H new ATOM 1182 N ALA A 72 -2.160 -10.325 12.701 1.00 0.00 N ATOM 1183 CA ALA A 72 -2.545 -8.920 12.766 1.00 0.00 C ATOM 1184 C ALA A 72 -2.368 -8.253 11.404 1.00 0.00 C ATOM 1185 O ALA A 72 -1.656 -8.761 10.539 1.00 0.00 O ATOM 1186 CB ALA A 72 -1.725 -8.186 13.834 1.00 0.00 C ATOM 0 H ALA A 72 -1.232 -10.527 13.073 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.598 -8.865 13.042 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.026 -7.139 13.868 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.900 -8.646 14.807 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.665 -8.251 13.587 1.00 0.00 H new ATOM 1192 N ASP A 73 -3.045 -7.130 11.218 1.00 0.00 N ATOM 1193 CA ASP A 73 -2.988 -6.396 9.953 1.00 0.00 C ATOM 1194 C ASP A 73 -2.048 -5.190 10.061 1.00 0.00 C ATOM 1195 O ASP A 73 -2.121 -4.264 9.252 1.00 0.00 O ATOM 1196 CB ASP A 73 -4.394 -5.929 9.568 1.00 0.00 C ATOM 1197 CG ASP A 73 -4.844 -4.793 10.475 1.00 0.00 C ATOM 1198 OD1 ASP A 73 -4.125 -4.486 11.412 1.00 0.00 O1- ATOM 1199 OD2 ASP A 73 -5.906 -4.251 10.221 1.00 0.00 O ATOM 0 H ASP A 73 -3.643 -6.703 11.926 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.600 -7.062 9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.402 -5.598 8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.094 -6.761 9.643 1.00 0.00 H new ATOM 1204 N ASN A 74 -1.182 -5.207 11.073 1.00 0.00 N ATOM 1205 CA ASN A 74 -0.232 -4.111 11.294 1.00 0.00 C ATOM 1206 C ASN A 74 1.213 -4.562 11.070 1.00 0.00 C ATOM 1207 O ASN A 74 2.159 -3.907 11.513 1.00 0.00 O ATOM 1208 CB ASN A 74 -0.408 -3.569 12.705 1.00 0.00 C ATOM 1209 CG ASN A 74 -0.090 -4.654 13.722 1.00 0.00 C ATOM 1210 OD1 ASN A 74 0.438 -5.708 13.367 1.00 0.00 O ATOM 1211 ND2 ASN A 74 -0.411 -4.467 14.970 1.00 0.00 N ATOM 0 H ASN A 74 -1.116 -5.964 11.753 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.440 -3.323 10.570 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.247 -2.712 12.859 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.430 -3.217 12.844 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.225 -5.196 15.659 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.848 -3.592 15.259 1.00 0.00 H new ATOM 1218 N HIS A 75 1.364 -5.687 10.394 1.00 0.00 N ATOM 1219 CA HIS A 75 2.694 -6.223 10.128 1.00 0.00 C ATOM 1220 C HIS A 75 2.780 -6.792 8.721 1.00 0.00 C ATOM 1221 O HIS A 75 1.770 -7.187 8.133 1.00 0.00 O ATOM 1222 CB HIS A 75 3.016 -7.340 11.124 1.00 0.00 C ATOM 1223 CG HIS A 75 2.312 -8.601 10.697 1.00 0.00 C ATOM 1224 ND1 HIS A 75 2.574 -9.227 9.487 1.00 0.00 N ATOM 1225 CD2 HIS A 75 1.360 -9.365 11.313 1.00 0.00 C ATOM 1226 CE1 HIS A 75 1.790 -10.318 9.419 1.00 0.00 C ATOM 1227 NE2 HIS A 75 1.031 -10.449 10.508 1.00 0.00 N ATOM 0 H HIS A 75 0.595 -6.244 10.022 1.00 0.00 H new ATOM 0 HA HIS A 75 3.409 -5.407 10.231 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.092 -7.507 11.167 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.698 -7.053 12.126 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.239 -8.917 8.779 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.928 -9.157 12.281 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.777 -11.004 8.585 1.00 0.00 H new ATOM 1235 N THR A 76 4.006 -6.828 8.196 1.00 0.00 N ATOM 1236 CA THR A 76 4.261 -7.349 6.859 1.00 0.00 C ATOM 1237 C THR A 76 5.397 -8.381 6.881 1.00 0.00 C ATOM 1238 O THR A 76 5.321 -9.396 6.194 1.00 0.00 O ATOM 1239 CB THR A 76 4.633 -6.211 5.894 1.00 0.00 C ATOM 1240 OG1 THR A 76 6.041 -6.151 5.738 1.00 0.00 O ATOM 1241 CG2 THR A 76 4.120 -4.884 6.446 1.00 0.00 C ATOM 0 H THR A 76 4.840 -6.500 8.683 1.00 0.00 H new ATOM 0 HA THR A 76 3.346 -7.831 6.514 1.00 0.00 H new ATOM 0 HB THR A 76 4.175 -6.401 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.271 -5.425 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.384 -4.078 5.761 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.036 -4.929 6.552 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.573 -4.696 7.420 1.00 0.00 H new ATOM 1249 N PRO A 77 6.454 -8.132 7.632 1.00 0.00 N ATOM 1250 CA PRO A 77 7.627 -9.041 7.712 1.00 0.00 C ATOM 1251 C PRO A 77 7.458 -10.120 8.775 1.00 0.00 C ATOM 1252 O PRO A 77 8.356 -10.926 9.000 1.00 0.00 O ATOM 1253 CB PRO A 77 7.302 -8.140 10.564 1.00 0.00 C ATOM 1254 CG PRO A 77 6.168 -7.441 9.892 1.00 0.00 C ATOM 1255 CD PRO A 77 6.657 -6.972 8.528 1.00 0.00 C ATOM 0 HA PRO A 77 8.207 -9.158 6.797 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.056 -8.899 11.307 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.093 -7.522 10.990 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.316 -8.112 9.783 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.832 -6.594 10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.095 -6.104 8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.706 -6.679 8.564 1.00 0.00 H new ATOM 1263 N LYS A 78 6.293 -10.141 9.408 1.00 0.00 N ATOM 1264 CA LYS A 78 6.027 -11.151 10.427 1.00 0.00 C ATOM 1265 C LYS A 78 6.062 -12.553 9.834 1.00 0.00 C ATOM 1266 O LYS A 78 6.711 -13.450 10.375 1.00 0.00 O ATOM 1267 CB LYS A 78 4.660 -10.890 11.050 1.00 0.00 C ATOM 1268 CG LYS A 78 4.570 -11.566 12.420 1.00 0.00 C ATOM 1269 CD LYS A 78 3.254 -11.191 13.096 1.00 0.00 C ATOM 1270 CE LYS A 78 3.190 -11.868 14.461 1.00 0.00 C ATOM 1271 NZ LYS A 78 1.919 -11.495 15.145 1.00 0.00 N1+ ATOM 0 H LYS A 78 5.530 -9.485 9.240 1.00 0.00 H new ATOM 0 HA LYS A 78 6.803 -11.087 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.498 -9.817 11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.875 -11.270 10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.636 -12.648 12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.410 -11.259 13.043 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.183 -10.109 13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.411 -11.504 12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.248 -12.950 14.345 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.044 -11.566 15.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.877 -11.957 16.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.881 -10.463 15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.111 -11.804 14.568 1.00 0.00 H new ATOM 1285 N GLU A 79 5.371 -12.727 8.717 1.00 0.00 N ATOM 1286 CA GLU A 79 5.320 -14.025 8.046 1.00 0.00 C ATOM 1287 C GLU A 79 5.212 -13.880 6.534 1.00 0.00 C ATOM 1288 O GLU A 79 6.127 -14.284 5.820 1.00 0.00 O ATOM 1289 CB GLU A 79 4.127 -14.844 8.583 1.00 0.00 C ATOM 1290 CG GLU A 79 4.349 -15.216 10.056 1.00 0.00 C ATOM 1291 CD GLU A 79 5.587 -16.101 10.196 1.00 0.00 C ATOM 1292 OE1 GLU A 79 5.980 -16.694 9.204 1.00 0.00 O ATOM 1293 OE2 GLU A 79 6.132 -16.157 11.285 1.00 0.00 O1- ATOM 0 H GLU A 79 4.838 -11.990 8.254 1.00 0.00 H new ATOM 0 HA GLU A 79 6.253 -14.547 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.208 -14.267 8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.002 -15.749 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.470 -14.312 10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.474 -15.738 10.443 1.00 0.00 H new ATOM 1300 N LEU A 80 4.080 -13.306 6.110 1.00 0.00 N ATOM 1301 CA LEU A 80 3.771 -13.088 4.679 1.00 0.00 C ATOM 1302 C LEU A 80 4.889 -13.727 3.846 1.00 0.00 C ATOM 1303 O LEU A 80 5.042 -14.952 3.867 1.00 0.00 O ATOM 1304 CB LEU A 80 3.706 -11.599 4.364 1.00 0.00 C ATOM 1305 CG LEU A 80 2.298 -11.085 4.614 1.00 0.00 C ATOM 1306 CD1 LEU A 80 1.927 -11.257 6.090 1.00 0.00 C ATOM 1307 CD2 LEU A 80 2.256 -9.614 4.227 1.00 0.00 C ATOM 0 H LEU A 80 3.350 -12.978 6.742 1.00 0.00 H new ATOM 0 HA LEU A 80 2.805 -13.534 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.418 -11.055 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.989 -11.424 3.326 1.00 0.00 H new ATOM 0 HG LEU A 80 1.580 -11.649 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.916 -10.885 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.974 -12.313 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.627 -10.695 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.254 -9.221 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.972 -9.058 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.513 -9.508 3.173 1.00 0.00 H new ATOM 1319 N GLY A 81 5.694 -12.919 3.138 1.00 0.00 N ATOM 1320 CA GLY A 81 6.803 -13.469 2.367 1.00 0.00 C ATOM 1321 C GLY A 81 6.310 -14.393 1.265 1.00 0.00 C ATOM 1322 O GLY A 81 6.884 -15.457 1.027 1.00 0.00 O ATOM 0 H GLY A 81 5.596 -11.905 3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.382 -12.656 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.473 -14.017 3.030 1.00 0.00 H new ATOM 1326 N MET A 82 5.232 -13.989 0.612 1.00 0.00 N ATOM 1327 CA MET A 82 4.654 -14.806 -0.448 1.00 0.00 C ATOM 1328 C MET A 82 5.399 -14.571 -1.756 1.00 0.00 C ATOM 1329 O MET A 82 5.982 -13.505 -1.968 1.00 0.00 O ATOM 1330 CB MET A 82 3.176 -14.486 -0.623 1.00 0.00 C ATOM 1331 CG MET A 82 2.486 -14.577 0.743 1.00 0.00 C ATOM 1332 SD MET A 82 2.864 -16.151 1.573 1.00 0.00 S ATOM 1333 CE MET A 82 1.871 -17.236 0.536 1.00 0.00 C ATOM 0 H MET A 82 4.743 -13.112 0.792 1.00 0.00 H new ATOM 0 HA MET A 82 4.751 -15.855 -0.169 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.053 -13.487 -1.042 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.719 -15.184 -1.324 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.808 -13.746 1.371 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.408 -14.481 0.615 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.854 -18.237 0.968 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.854 -16.850 0.475 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.303 -17.280 -0.464 1.00 0.00 H new ATOM 1343 N GLU A 83 5.375 -15.567 -2.631 1.00 0.00 N ATOM 1344 CA GLU A 83 6.054 -15.450 -3.918 1.00 0.00 C ATOM 1345 C GLU A 83 5.079 -15.058 -5.025 1.00 0.00 C ATOM 1346 O GLU A 83 5.316 -14.102 -5.763 1.00 0.00 O ATOM 1347 CB GLU A 83 6.722 -16.781 -4.272 1.00 0.00 C ATOM 1348 CG GLU A 83 7.494 -16.649 -5.588 1.00 0.00 C ATOM 1349 CD GLU A 83 8.192 -17.966 -5.916 1.00 0.00 C ATOM 1350 OE1 GLU A 83 7.880 -18.953 -5.275 1.00 0.00 O1- ATOM 1351 OE2 GLU A 83 9.025 -17.965 -6.808 1.00 0.00 O ATOM 0 H GLU A 83 4.899 -16.456 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 83 6.808 -14.667 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.400 -17.081 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.968 -17.563 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.812 -16.378 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.229 -15.848 -5.510 1.00 0.00 H new ATOM 1358 N GLU A 84 3.992 -15.810 -5.141 1.00 0.00 N ATOM 1359 CA GLU A 84 2.999 -15.530 -6.168 1.00 0.00 C ATOM 1360 C GLU A 84 1.655 -16.146 -5.797 1.00 0.00 C ATOM 1361 O GLU A 84 0.630 -15.467 -5.798 1.00 0.00 O ATOM 1362 CB GLU A 84 3.466 -16.092 -7.514 1.00 0.00 C ATOM 1363 CG GLU A 84 2.430 -15.772 -8.599 1.00 0.00 C ATOM 1364 CD GLU A 84 2.895 -16.319 -9.944 1.00 0.00 C ATOM 1365 OE1 GLU A 84 3.851 -17.078 -9.954 1.00 0.00 O1- ATOM 1366 OE2 GLU A 84 2.286 -15.975 -10.942 1.00 0.00 O ATOM 0 H GLU A 84 3.778 -16.609 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 84 2.881 -14.449 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.431 -15.663 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.606 -17.170 -7.439 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.467 -16.208 -8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.284 -14.694 -8.667 1.00 0.00 H new ATOM 1373 N GLU A 85 1.662 -17.443 -5.507 1.00 0.00 N ATOM 1374 CA GLU A 85 0.427 -18.137 -5.167 1.00 0.00 C ATOM 1375 C GLU A 85 0.073 -17.929 -3.701 1.00 0.00 C ATOM 1376 O GLU A 85 0.375 -18.770 -2.852 1.00 0.00 O ATOM 1377 CB GLU A 85 0.587 -19.636 -5.448 1.00 0.00 C ATOM 1378 CG GLU A 85 -0.728 -20.367 -5.158 1.00 0.00 C ATOM 1379 CD GLU A 85 -0.586 -21.851 -5.475 1.00 0.00 C ATOM 1380 OE1 GLU A 85 0.371 -22.206 -6.141 1.00 0.00 O ATOM 1381 OE2 GLU A 85 -1.441 -22.610 -5.047 1.00 0.00 O1- ATOM 0 H GLU A 85 2.498 -18.028 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.378 -17.729 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.877 -19.791 -6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.385 -20.047 -4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.002 -20.236 -4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.532 -19.935 -5.755 1.00 0.00 H new ATOM 1388 N ASP A 86 -0.584 -16.811 -3.421 1.00 0.00 N ATOM 1389 CA ASP A 86 -0.998 -16.498 -2.067 1.00 0.00 C ATOM 1390 C ASP A 86 -2.492 -16.778 -1.904 1.00 0.00 C ATOM 1391 O ASP A 86 -3.315 -16.183 -2.587 1.00 0.00 O ATOM 1392 CB ASP A 86 -0.670 -15.038 -1.729 1.00 0.00 C ATOM 1393 CG ASP A 86 -0.987 -14.771 -0.258 1.00 0.00 C ATOM 1394 OD1 ASP A 86 -1.532 -15.654 0.385 1.00 0.00 O ATOM 1395 OD2 ASP A 86 -0.677 -13.686 0.202 1.00 0.00 O1- ATOM 0 H ASP A 86 -0.840 -16.109 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.449 -17.132 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.382 -14.835 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.249 -14.368 -2.364 1.00 0.00 H new ATOM 1400 N VAL A 87 -2.841 -17.705 -1.019 1.00 0.00 N ATOM 1401 CA VAL A 87 -4.251 -18.049 -0.808 1.00 0.00 C ATOM 1402 C VAL A 87 -4.662 -17.840 0.647 1.00 0.00 C ATOM 1403 O VAL A 87 -4.005 -18.331 1.564 1.00 0.00 O ATOM 1404 CB VAL A 87 -4.492 -19.504 -1.194 1.00 0.00 C ATOM 1405 CG1 VAL A 87 -5.875 -19.942 -0.709 1.00 0.00 C ATOM 1406 CG2 VAL A 87 -4.408 -19.659 -2.713 1.00 0.00 C ATOM 0 H VAL A 87 -2.182 -18.227 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.853 -17.392 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.730 -20.129 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.045 -20.982 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.929 -19.842 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.638 -19.314 -1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.581 -20.701 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.164 -19.032 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.419 -19.355 -3.056 1.00 0.00 H new ATOM 1416 N ILE A 88 -5.770 -17.129 0.837 1.00 0.00 N ATOM 1417 CA ILE A 88 -6.312 -16.866 2.170 1.00 0.00 C ATOM 1418 C ILE A 88 -7.744 -17.379 2.292 1.00 0.00 C ATOM 1419 O ILE A 88 -8.603 -17.057 1.472 1.00 0.00 O ATOM 1420 CB ILE A 88 -6.268 -15.367 2.485 1.00 0.00 C ATOM 1421 CG1 ILE A 88 -4.806 -14.903 2.585 1.00 0.00 C ATOM 1422 CG2 ILE A 88 -6.998 -15.084 3.797 1.00 0.00 C ATOM 1423 CD1 ILE A 88 -4.735 -13.372 2.624 1.00 0.00 C ATOM 0 H ILE A 88 -6.316 -16.721 0.078 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.691 -17.398 2.891 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.764 -14.819 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.346 -15.318 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.239 -15.279 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.961 -14.016 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.037 -15.401 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.518 -15.633 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.694 -13.058 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.176 -12.964 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.285 -13.004 3.490 1.00 0.00 H new ATOM 1435 N GLU A 89 -7.989 -18.168 3.329 1.00 0.00 N ATOM 1436 CA GLU A 89 -9.319 -18.722 3.576 1.00 0.00 C ATOM 1437 C GLU A 89 -10.091 -17.838 4.530 1.00 0.00 C ATOM 1438 O GLU A 89 -9.525 -17.293 5.481 1.00 0.00 O ATOM 1439 CB GLU A 89 -9.195 -20.124 4.172 1.00 0.00 C ATOM 1440 CG GLU A 89 -8.626 -21.067 3.122 1.00 0.00 C ATOM 1441 CD GLU A 89 -8.417 -22.458 3.716 1.00 0.00 C ATOM 1442 OE1 GLU A 89 -8.656 -22.617 4.902 1.00 0.00 O1- ATOM 1443 OE2 GLU A 89 -8.025 -23.344 2.974 1.00 0.00 O ATOM 0 H GLU A 89 -7.285 -18.441 4.015 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.854 -18.773 2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.547 -20.103 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.171 -20.478 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.304 -21.126 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.679 -20.678 2.749 1.00 0.00 H new ATOM 1450 N VAL A 90 -11.389 -17.708 4.278 1.00 0.00 N ATOM 1451 CA VAL A 90 -12.233 -16.894 5.135 1.00 0.00 C ATOM 1452 C VAL A 90 -13.519 -17.630 5.476 1.00 0.00 C ATOM 1453 O VAL A 90 -13.950 -18.513 4.735 1.00 0.00 O ATOM 1454 CB VAL A 90 -12.571 -15.571 4.434 1.00 0.00 C ATOM 1455 CG1 VAL A 90 -11.295 -14.784 4.148 1.00 0.00 C ATOM 1456 CG2 VAL A 90 -13.281 -15.858 3.108 1.00 0.00 C ATOM 0 H VAL A 90 -11.872 -18.151 3.496 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.689 -16.689 6.057 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.220 -14.987 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.549 -13.848 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.782 -14.569 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.642 -15.372 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.520 -14.917 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.629 -16.451 2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.201 -16.411 3.300 1.00 0.00 H new ATOM 1466 N TYR A 91 -14.137 -17.249 6.591 1.00 0.00 N ATOM 1467 CA TYR A 91 -15.387 -17.873 7.006 1.00 0.00 C ATOM 1468 C TYR A 91 -16.455 -16.812 7.207 1.00 0.00 C ATOM 1469 O TYR A 91 -16.199 -15.778 7.821 1.00 0.00 O ATOM 1470 CB TYR A 91 -15.176 -18.648 8.311 1.00 0.00 C ATOM 1471 CG TYR A 91 -14.172 -19.752 8.074 1.00 0.00 C ATOM 1472 CD1 TYR A 91 -14.595 -20.979 7.548 1.00 0.00 C ATOM 1473 CD2 TYR A 91 -12.820 -19.551 8.384 1.00 0.00 C ATOM 1474 CE1 TYR A 91 -13.667 -22.002 7.328 1.00 0.00 C ATOM 1475 CE2 TYR A 91 -11.893 -20.575 8.165 1.00 0.00 C ATOM 1476 CZ TYR A 91 -12.316 -21.802 7.637 1.00 0.00 C ATOM 1477 OH TYR A 91 -11.401 -22.812 7.419 1.00 0.00 O ATOM 0 H TYR A 91 -13.796 -16.519 7.217 1.00 0.00 H new ATOM 0 HA TYR A 91 -15.712 -18.564 6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -14.820 -17.977 9.093 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -16.121 -19.067 8.656 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -15.637 -21.135 7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -12.494 -18.606 8.792 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.993 -22.947 6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.851 -20.420 8.403 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.508 -22.508 7.686 1.00 0.00 H new ATOM 1487 N GLN A 92 -17.656 -17.077 6.698 1.00 0.00 N ATOM 1488 CA GLN A 92 -18.752 -16.129 6.838 1.00 0.00 C ATOM 1489 C GLN A 92 -19.920 -16.763 7.588 1.00 0.00 C ATOM 1490 O GLN A 92 -20.708 -17.515 7.014 1.00 0.00 O ATOM 1491 CB GLN A 92 -19.221 -15.682 5.453 1.00 0.00 C ATOM 1492 CG GLN A 92 -18.106 -14.913 4.751 1.00 0.00 C ATOM 1493 CD GLN A 92 -18.584 -14.408 3.387 1.00 0.00 C ATOM 1494 OE1 GLN A 92 -19.737 -14.621 3.014 1.00 0.00 O ATOM 1495 NE2 GLN A 92 -17.758 -13.741 2.621 1.00 0.00 N ATOM 0 H GLN A 92 -17.891 -17.930 6.191 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.397 -15.269 7.405 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -19.506 -16.550 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -20.107 -15.053 5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.792 -14.071 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.236 -15.557 4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.803 -13.566 2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -18.070 -13.397 1.713 1.00 0.00 H new ATOM 1504 N GLU A 93 -20.031 -16.437 8.871 1.00 0.00 N ATOM 1505 CA GLU A 93 -21.111 -16.962 9.698 1.00 0.00 C ATOM 1506 C GLU A 93 -22.460 -16.440 9.217 1.00 0.00 C ATOM 1507 O GLU A 93 -23.455 -17.166 9.210 1.00 0.00 O ATOM 1508 CB GLU A 93 -20.897 -16.568 11.161 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.685 -17.320 11.719 1.00 0.00 C ATOM 1510 CD GLU A 93 -19.423 -16.888 13.157 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -20.137 -16.023 13.636 1.00 0.00 O1- ATOM 1512 OE2 GLU A 93 -18.514 -17.434 13.761 1.00 0.00 O ATOM 0 H GLU A 93 -19.388 -15.814 9.360 1.00 0.00 H new ATOM 0 HA GLU A 93 -21.106 -18.049 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.739 -15.492 11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -21.786 -16.804 11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.863 -18.395 11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -18.807 -17.120 11.104 1.00 0.00 H new ATOM 1519 N GLN A 94 -22.483 -15.172 8.819 1.00 0.00 N ATOM 1520 CA GLN A 94 -23.709 -14.546 8.342 1.00 0.00 C ATOM 1521 C GLN A 94 -23.415 -13.586 7.194 1.00 0.00 C ATOM 1522 O GLN A 94 -22.307 -13.063 7.075 1.00 0.00 O ATOM 1523 CB GLN A 94 -24.380 -13.794 9.488 1.00 0.00 C ATOM 1524 CG GLN A 94 -23.456 -12.685 9.984 1.00 0.00 C ATOM 1525 CD GLN A 94 -24.083 -12.003 11.188 1.00 0.00 C ATOM 1526 OE1 GLN A 94 -24.519 -10.785 11.071 1.00 0.00 O ATOM 1527 NE2 GLN A 94 -24.196 -12.603 12.256 1.00 0.00 N ATOM 0 H GLN A 94 -21.667 -14.559 8.818 1.00 0.00 H new ATOM 0 HA GLN A 94 -24.378 -15.325 7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -25.326 -13.370 9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -24.609 -14.481 10.302 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.484 -13.100 10.253 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -23.284 -11.958 9.190 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -23.852 -13.559 12.343 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -24.634 -12.144 13.055 1.00 0.00 H new ATOM 1536 N THR A 95 -24.418 -13.361 6.352 1.00 0.00 N ATOM 1537 CA THR A 95 -24.266 -12.462 5.216 1.00 0.00 C ATOM 1538 C THR A 95 -24.149 -11.018 5.691 1.00 0.00 C ATOM 1539 O THR A 95 -23.584 -10.170 4.999 1.00 0.00 O ATOM 1540 CB THR A 95 -25.458 -12.600 4.266 1.00 0.00 C ATOM 1541 OG1 THR A 95 -26.654 -12.276 4.960 1.00 0.00 O ATOM 1542 CG2 THR A 95 -25.536 -14.038 3.750 1.00 0.00 C ATOM 0 H THR A 95 -25.341 -13.787 6.435 1.00 0.00 H new ATOM 0 HA THR A 95 -23.354 -12.733 4.684 1.00 0.00 H new ATOM 0 HB THR A 95 -25.333 -11.921 3.423 1.00 0.00 H new ATOM 0 HG1 THR A 95 -27.145 -11.589 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 95 -26.385 -14.136 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 95 -24.617 -14.284 3.217 1.00 0.00 H new ATOM 0 HG23 THR A 95 -25.661 -14.720 4.591 1.00 0.00 H new ATOM 1550 N GLY A 96 -24.692 -10.746 6.873 1.00 0.00 N ATOM 1551 CA GLY A 96 -24.649 -9.397 7.428 1.00 0.00 C ATOM 1552 C GLY A 96 -25.768 -8.530 6.856 1.00 0.00 C ATOM 1553 O GLY A 96 -25.845 -7.335 7.136 1.00 0.00 O ATOM 0 H GLY A 96 -25.163 -11.434 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -24.740 -9.444 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -23.684 -8.941 7.209 1.00 0.00 H new ATOM 1557 N GLY A 97 -26.634 -9.138 6.052 1.00 0.00 N ATOM 1558 CA GLY A 97 -27.742 -8.410 5.448 1.00 0.00 C ATOM 1559 C GLY A 97 -28.712 -9.382 4.796 1.00 0.00 C ATOM 1560 O GLY A 97 -28.466 -10.587 4.777 1.00 0.00 O ATOM 0 H GLY A 97 -26.590 -10.127 5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -28.259 -7.823 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -27.364 -7.708 4.705 1.00 0.00 H new ATOM 1564 N HIS A 98 -29.813 -8.850 4.269 1.00 0.00 N ATOM 1565 CA HIS A 98 -30.824 -9.682 3.620 1.00 0.00 C ATOM 1566 C HIS A 98 -31.370 -10.736 4.583 1.00 0.00 C ATOM 1567 O HIS A 98 -32.516 -10.643 5.031 1.00 0.00 O ATOM 1568 CB HIS A 98 -30.237 -10.356 2.372 1.00 0.00 C ATOM 1569 CG HIS A 98 -31.198 -11.398 1.873 1.00 0.00 C ATOM 1570 ND1 HIS A 98 -32.378 -11.067 1.228 1.00 0.00 N ATOM 1571 CD2 HIS A 98 -31.166 -12.770 1.917 1.00 0.00 C ATOM 1572 CE1 HIS A 98 -33.002 -12.217 0.911 1.00 0.00 C ATOM 1573 NE2 HIS A 98 -32.308 -13.284 1.309 1.00 0.00 N ATOM 0 H HIS A 98 -30.027 -7.853 4.278 1.00 0.00 H new ATOM 0 HA HIS A 98 -31.650 -9.038 3.319 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -30.053 -9.613 1.596 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -29.277 -10.814 2.609 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -30.375 -13.360 2.356 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -33.950 -12.269 0.396 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -32.560 -14.266 1.193 1.00 0.00 H new ATOM 1581 N SER A 99 -30.552 -11.732 4.901 1.00 0.00 N ATOM 1582 CA SER A 99 -30.963 -12.790 5.806 1.00 0.00 C ATOM 1583 C SER A 99 -31.123 -12.244 7.220 1.00 0.00 C ATOM 1584 O SER A 99 -30.398 -11.339 7.633 1.00 0.00 O ATOM 1585 CB SER A 99 -29.911 -13.898 5.804 1.00 0.00 C ATOM 1586 OG SER A 99 -29.824 -14.458 4.499 1.00 0.00 O ATOM 0 H SER A 99 -29.601 -11.826 4.544 1.00 0.00 H new ATOM 0 HA SER A 99 -31.920 -13.190 5.471 1.00 0.00 H new ATOM 0 HB2 SER A 99 -28.943 -13.498 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 99 -30.177 -14.669 6.527 1.00 0.00 H new ATOM 0 HG SER A 99 -29.149 -15.168 4.492 1.00 0.00 H new ATOM 1592 N THR A 100 -32.075 -12.803 7.953 1.00 0.00 N ATOM 1593 CA THR A 100 -32.325 -12.372 9.320 1.00 0.00 C ATOM 1594 C THR A 100 -31.146 -12.720 10.220 1.00 0.00 C ATOM 1595 O THR A 100 -30.802 -11.967 11.132 1.00 0.00 O ATOM 1596 CB THR A 100 -33.594 -13.037 9.849 1.00 0.00 C ATOM 1597 OG1 THR A 100 -33.928 -12.481 11.113 1.00 0.00 O ATOM 1598 CG2 THR A 100 -33.368 -14.543 10.000 1.00 0.00 C ATOM 0 H THR A 100 -32.684 -13.553 7.626 1.00 0.00 H new ATOM 0 HA THR A 100 -32.454 -11.290 9.323 1.00 0.00 H new ATOM 0 HB THR A 100 -34.409 -12.865 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 100 -34.743 -12.906 11.452 1.00 0.00 H new ATOM 0 HG21 THR A 100 -34.277 -15.011 10.378 1.00 0.00 H new ATOM 0 HG22 THR A 100 -33.115 -14.972 9.030 1.00 0.00 H new ATOM 0 HG23 THR A 100 -32.551 -14.720 10.700 1.00 0.00 H new ATOM 1606 N VAL A 101 -30.529 -13.871 9.960 1.00 0.00 N ATOM 1607 CA VAL A 101 -29.392 -14.317 10.756 1.00 0.00 C ATOM 1608 C VAL A 101 -28.088 -14.094 9.996 1.00 0.00 C ATOM 1609 O VAL A 101 -28.723 -13.569 9.084 1.00 0.00 O ATOM 1610 CB VAL A 101 -29.542 -15.802 11.093 1.00 0.00 C ATOM 1611 CG1 VAL A 101 -29.541 -16.622 9.802 1.00 0.00 C ATOM 1612 CG2 VAL A 101 -28.373 -16.242 11.978 1.00 0.00 C ATOM 0 H VAL A 101 -30.797 -14.507 9.209 1.00 0.00 H new ATOM 0 HA VAL A 101 -29.366 -13.737 11.678 1.00 0.00 H new ATOM 0 HB VAL A 101 -30.481 -15.962 11.623 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -29.648 -17.680 10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -30.372 -16.308 9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -28.602 -16.464 9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -28.478 -17.300 12.220 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -27.435 -16.082 11.447 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -28.373 -15.658 12.898 1.00 0.00 H new TER 1622 VAL A 101 ATOM 1623 N GLY B 201 29.106 -19.795 7.977 1.00 0.00 N ATOM 1624 CA GLY B 201 29.001 -19.459 9.426 1.00 0.00 C ATOM 1625 C GLY B 201 27.825 -18.513 9.661 1.00 0.00 C ATOM 1626 O GLY B 201 27.200 -18.032 8.717 1.00 0.00 O ATOM 0 HA2 GLY B 201 28.868 -20.370 10.010 1.00 0.00 H new ATOM 0 HA3 GLY B 201 29.926 -18.994 9.768 1.00 0.00 H new ATOM 1629 N GLN B 202 27.542 -18.261 10.913 1.00 0.00 N ATOM 1630 CA GLN B 202 26.415 -17.348 11.264 1.00 0.00 C ATOM 1631 C GLN B 202 26.896 -16.348 12.315 1.00 0.00 C ATOM 1632 O GLN B 202 27.572 -16.720 13.274 1.00 0.00 O ATOM 1633 CB GLN B 202 25.233 -18.151 11.820 1.00 0.00 C ATOM 1634 CG GLN B 202 24.066 -17.206 12.125 1.00 0.00 C ATOM 1635 CD GLN B 202 24.005 -16.920 13.620 1.00 0.00 C ATOM 1636 OE1 GLN B 202 24.781 -16.117 14.131 1.00 0.00 O ATOM 1637 NE2 GLN B 202 23.123 -17.539 14.356 1.00 0.00 N ATOM 0 H GLN B 202 28.046 -18.650 11.710 1.00 0.00 H new ATOM 0 HA GLN B 202 26.087 -16.820 10.369 1.00 0.00 H new ATOM 0 HB2 GLN B 202 24.923 -18.907 11.099 1.00 0.00 H new ATOM 0 HB3 GLN B 202 25.533 -18.679 12.725 1.00 0.00 H new ATOM 0 HG2 GLN B 202 24.188 -16.274 11.573 1.00 0.00 H new ATOM 0 HG3 GLN B 202 23.129 -17.653 11.793 1.00 0.00 H new ATOM 0 HE21 GLN B 202 22.480 -18.205 13.929 1.00 0.00 H new ATOM 0 HE22 GLN B 202 23.077 -17.356 15.358 1.00 0.00 H new ATOM 1646 N ASP B 203 26.553 -15.102 12.132 1.00 0.00 N ATOM 1647 CA ASP B 203 26.988 -14.060 13.108 1.00 0.00 C ATOM 1648 C ASP B 203 25.914 -12.978 13.226 1.00 0.00 C ATOM 1649 O ASP B 203 24.735 -13.222 12.960 1.00 0.00 O ATOM 1650 CB ASP B 203 28.323 -13.438 12.702 1.00 0.00 C ATOM 1651 CG ASP B 203 28.983 -12.811 13.930 1.00 0.00 C ATOM 1652 OD1 ASP B 203 29.282 -13.545 14.856 1.00 0.00 O1- ATOM 1653 OD2 ASP B 203 29.171 -11.608 13.925 1.00 0.00 O ATOM 0 H ASP B 203 25.992 -14.760 11.352 1.00 0.00 H new ATOM 0 HA ASP B 203 27.126 -14.539 14.077 1.00 0.00 H new ATOM 0 HB2 ASP B 203 28.976 -14.198 12.272 1.00 0.00 H new ATOM 0 HB3 ASP B 203 28.166 -12.681 11.933 1.00 0.00 H new ATOM 1658 N ARG B 204 26.322 -11.806 13.640 1.00 0.00 N ATOM 1659 CA ARG B 204 25.331 -10.678 13.810 1.00 0.00 C ATOM 1660 C ARG B 204 24.873 -10.193 12.422 1.00 0.00 C ATOM 1661 O ARG B 204 24.984 -10.925 11.440 1.00 0.00 O ATOM 1662 CB ARG B 204 25.953 -9.495 14.607 1.00 0.00 C ATOM 1663 CG ARG B 204 25.022 -9.042 15.765 1.00 0.00 C ATOM 1664 CD ARG B 204 23.743 -8.440 15.204 1.00 0.00 C ATOM 1665 NE ARG B 204 24.014 -7.162 14.482 1.00 0.00 N ATOM 1666 CZ ARG B 204 24.041 -6.030 15.138 1.00 0.00 C ATOM 1667 NH1 ARG B 204 23.852 -6.012 16.430 1.00 0.00 N ATOM 1668 NH2 ARG B 204 24.259 -4.914 14.497 1.00 0.00 N ATOM 0 H ARG B 204 27.288 -11.573 13.868 1.00 0.00 H new ATOM 0 HA ARG B 204 24.476 -11.049 14.376 1.00 0.00 H new ATOM 0 HB2 ARG B 204 26.920 -9.795 15.011 1.00 0.00 H new ATOM 0 HB3 ARG B 204 26.135 -8.657 13.935 1.00 0.00 H new ATOM 0 HG2 ARG B 204 24.783 -9.893 16.403 1.00 0.00 H new ATOM 0 HG3 ARG B 204 25.535 -8.310 16.389 1.00 0.00 H new ATOM 0 HD2 ARG B 204 23.272 -9.151 14.525 1.00 0.00 H new ATOM 0 HD3 ARG B 204 23.038 -8.259 16.015 1.00 0.00 H new ATOM 0 HE ARG B 204 24.178 -7.171 13.475 1.00 0.00 H new ATOM 0 HH11 ARG B 204 23.682 -6.883 16.933 1.00 0.00 H new ATOM 0 HH12 ARG B 204 23.874 -5.127 16.936 1.00 0.00 H new ATOM 0 HH21 ARG B 204 24.408 -4.926 13.488 1.00 0.00 H new ATOM 0 HH22 ARG B 204 24.281 -4.030 15.005 1.00 0.00 H new ATOM 1682 N PHE B 205 24.343 -8.985 12.351 1.00 0.00 N ATOM 1683 CA PHE B 205 23.867 -8.440 11.024 1.00 0.00 C ATOM 1684 C PHE B 205 24.511 -7.084 10.762 1.00 0.00 C ATOM 1685 O PHE B 205 24.056 -6.341 9.896 1.00 0.00 O ATOM 1686 CB PHE B 205 22.346 -8.253 11.017 1.00 0.00 C ATOM 1687 CG PHE B 205 21.949 -7.415 12.205 1.00 0.00 C ATOM 1688 CD1 PHE B 205 22.086 -6.021 12.168 1.00 0.00 C ATOM 1689 CD2 PHE B 205 21.436 -8.032 13.343 1.00 0.00 C ATOM 1690 CE1 PHE B 205 21.720 -5.252 13.275 1.00 0.00 C ATOM 1691 CE2 PHE B 205 21.065 -7.264 14.453 1.00 0.00 C ATOM 1692 CZ PHE B 205 21.210 -5.871 14.418 1.00 0.00 C ATOM 0 H PHE B 205 24.220 -8.357 13.146 1.00 0.00 H new ATOM 0 HA PHE B 205 24.148 -9.157 10.252 1.00 0.00 H new ATOM 0 HB2 PHE B 205 22.030 -7.769 10.093 1.00 0.00 H new ATOM 0 HB3 PHE B 205 21.847 -9.222 11.056 1.00 0.00 H new ATOM 0 HD1 PHE B 205 22.475 -5.541 11.282 1.00 0.00 H new ATOM 0 HD2 PHE B 205 21.324 -9.106 13.369 1.00 0.00 H new ATOM 0 HE1 PHE B 205 21.832 -4.178 13.247 1.00 0.00 H new ATOM 0 HE2 PHE B 205 20.668 -7.745 15.335 1.00 0.00 H new ATOM 0 HZ PHE B 205 20.928 -5.276 15.274 1.00 0.00 H new ATOM 1702 N VAL B 206 25.504 -6.741 11.531 1.00 0.00 N ATOM 1703 CA VAL B 206 26.121 -5.391 11.384 1.00 0.00 C ATOM 1704 C VAL B 206 26.495 -5.119 9.930 1.00 0.00 C ATOM 1705 O VAL B 206 27.616 -5.375 9.492 1.00 0.00 O ATOM 1706 CB VAL B 206 27.386 -5.326 12.242 1.00 0.00 C ATOM 1707 CG1 VAL B 206 28.190 -4.076 11.890 1.00 0.00 C ATOM 1708 CG2 VAL B 206 27.003 -5.274 13.719 1.00 0.00 C ATOM 0 H VAL B 206 25.915 -7.333 12.253 1.00 0.00 H new ATOM 0 HA VAL B 206 25.399 -4.641 11.706 1.00 0.00 H new ATOM 0 HB VAL B 206 27.990 -6.213 12.049 1.00 0.00 H new ATOM 0 HG11 VAL B 206 29.089 -4.037 12.505 1.00 0.00 H new ATOM 0 HG12 VAL B 206 28.471 -4.109 10.837 1.00 0.00 H new ATOM 0 HG13 VAL B 206 27.584 -3.189 12.076 1.00 0.00 H new ATOM 0 HG21 VAL B 206 27.906 -5.228 14.328 1.00 0.00 H new ATOM 0 HG22 VAL B 206 26.394 -4.390 13.906 1.00 0.00 H new ATOM 0 HG23 VAL B 206 26.435 -6.167 13.979 1.00 0.00 H new ATOM 1718 N TYR B 207 25.536 -4.602 9.204 1.00 0.00 N ATOM 1719 CA TYR B 207 25.758 -4.283 7.769 1.00 0.00 C ATOM 1720 C TYR B 207 24.700 -3.292 7.289 1.00 0.00 C ATOM 1721 O TYR B 207 23.888 -2.816 8.075 1.00 0.00 O ATOM 1722 CB TYR B 207 25.679 -5.545 6.939 1.00 0.00 C ATOM 1723 CG TYR B 207 27.036 -6.201 6.854 1.00 0.00 C ATOM 1724 CD1 TYR B 207 28.028 -5.646 6.037 1.00 0.00 C ATOM 1725 CD2 TYR B 207 27.300 -7.368 7.577 1.00 0.00 C ATOM 1726 CE1 TYR B 207 29.281 -6.259 5.941 1.00 0.00 C ATOM 1727 CE2 TYR B 207 28.556 -7.979 7.483 1.00 0.00 C ATOM 1728 CZ TYR B 207 29.543 -7.426 6.663 1.00 0.00 C ATOM 1729 OH TYR B 207 30.777 -8.035 6.565 1.00 0.00 O ATOM 0 H TYR B 207 24.601 -4.387 9.552 1.00 0.00 H new ATOM 0 HA TYR B 207 26.748 -3.840 7.656 1.00 0.00 H new ATOM 0 HB2 TYR B 207 24.961 -6.235 7.382 1.00 0.00 H new ATOM 0 HB3 TYR B 207 25.318 -5.308 5.938 1.00 0.00 H new ATOM 0 HD1 TYR B 207 27.825 -4.743 5.480 1.00 0.00 H new ATOM 0 HD2 TYR B 207 26.536 -7.798 8.207 1.00 0.00 H new ATOM 0 HE1 TYR B 207 30.045 -5.831 5.309 1.00 0.00 H new ATOM 0 HE2 TYR B 207 28.762 -8.878 8.045 1.00 0.00 H new ATOM 0 HH TYR B 207 30.793 -8.834 7.132 1.00 0.00 H new ATOM 1739 N THR B 208 24.718 -2.993 6.008 1.00 0.00 N ATOM 1740 CA THR B 208 23.713 -2.041 5.450 1.00 0.00 C ATOM 1741 C THR B 208 23.218 -2.509 4.081 1.00 0.00 C ATOM 1742 O THR B 208 23.809 -3.390 3.457 1.00 0.00 O ATOM 1743 CB THR B 208 24.289 -0.637 5.331 1.00 0.00 C ATOM 1744 OG1 THR B 208 25.237 -0.593 4.270 1.00 0.00 O ATOM 1745 CG2 THR B 208 24.972 -0.252 6.646 1.00 0.00 C ATOM 0 H THR B 208 25.384 -3.368 5.332 1.00 0.00 H new ATOM 0 HA THR B 208 22.872 -2.016 6.143 1.00 0.00 H new ATOM 0 HB THR B 208 23.483 0.066 5.120 1.00 0.00 H new ATOM 0 HG1 THR B 208 25.604 0.313 4.196 1.00 0.00 H new ATOM 0 HG21 THR B 208 25.385 0.753 6.561 1.00 0.00 H new ATOM 0 HG22 THR B 208 24.243 -0.278 7.456 1.00 0.00 H new ATOM 0 HG23 THR B 208 25.776 -0.957 6.859 1.00 0.00 H new ATOM 1753 N CYS B 209 22.131 -1.916 3.645 1.00 0.00 N ATOM 1754 CA CYS B 209 21.525 -2.271 2.327 1.00 0.00 C ATOM 1755 C CYS B 209 21.506 -1.050 1.411 1.00 0.00 C ATOM 1756 O CYS B 209 21.041 0.020 1.785 1.00 0.00 O ATOM 1757 CB CYS B 209 20.136 -2.828 2.571 1.00 0.00 C ATOM 1758 SG CYS B 209 19.059 -2.601 1.130 1.00 0.00 S ATOM 0 H CYS B 209 21.632 -1.189 4.158 1.00 0.00 H new ATOM 0 HA CYS B 209 22.119 -3.033 1.823 1.00 0.00 H new ATOM 0 HB2 CYS B 209 20.206 -3.889 2.809 1.00 0.00 H new ATOM 0 HB3 CYS B 209 19.694 -2.336 3.437 1.00 0.00 H new ATOM 1763 N ASN B 210 22.077 -1.226 0.252 1.00 0.00 N ATOM 1764 CA ASN B 210 22.214 -0.118 -0.732 1.00 0.00 C ATOM 1765 C ASN B 210 20.979 0.010 -1.614 1.00 0.00 C ATOM 1766 O ASN B 210 20.953 0.837 -2.526 1.00 0.00 O ATOM 1767 CB ASN B 210 23.445 -0.351 -1.606 1.00 0.00 C ATOM 1768 CG ASN B 210 23.875 0.958 -2.259 1.00 0.00 C ATOM 1769 OD1 ASN B 210 23.713 2.028 -1.670 1.00 0.00 O ATOM 1770 ND2 ASN B 210 24.422 0.941 -3.443 1.00 0.00 N ATOM 0 H ASN B 210 22.464 -2.116 -0.061 1.00 0.00 H new ATOM 0 HA ASN B 210 22.325 0.811 -0.172 1.00 0.00 H new ATOM 0 HB2 ASN B 210 24.260 -0.751 -1.002 1.00 0.00 H new ATOM 0 HB3 ASN B 210 23.222 -1.093 -2.372 1.00 0.00 H new ATOM 0 HD21 ASN B 210 24.716 1.814 -3.882 1.00 0.00 H new ATOM 0 HD22 ASN B 210 24.556 0.055 -3.930 1.00 0.00 H new ATOM 1777 N GLU B 211 19.977 -0.772 -1.358 1.00 0.00 N ATOM 1778 CA GLU B 211 18.747 -0.667 -2.188 1.00 0.00 C ATOM 1779 C GLU B 211 17.784 0.365 -1.585 1.00 0.00 C ATOM 1780 O GLU B 211 17.136 1.103 -2.330 1.00 0.00 O ATOM 1781 CB GLU B 211 18.068 -2.035 -2.293 1.00 0.00 C ATOM 1782 CG GLU B 211 18.878 -2.991 -3.184 1.00 0.00 C ATOM 1783 CD GLU B 211 18.972 -2.451 -4.610 1.00 0.00 C ATOM 1784 OE1 GLU B 211 17.939 -2.111 -5.162 1.00 0.00 O1- ATOM 1785 OE2 GLU B 211 20.076 -2.395 -5.130 1.00 0.00 O ATOM 0 H GLU B 211 19.952 -1.474 -0.618 1.00 0.00 H new ATOM 0 HA GLU B 211 19.024 -0.336 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU B 211 17.958 -2.467 -1.298 1.00 0.00 H new ATOM 0 HB3 GLU B 211 17.065 -1.915 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU B 211 19.879 -3.120 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU B 211 18.408 -3.974 -3.192 1.00 0.00 H new ATOM 1792 N CYS B 212 17.699 0.428 -0.271 1.00 0.00 N ATOM 1793 CA CYS B 212 16.781 1.425 0.376 1.00 0.00 C ATOM 1794 C CYS B 212 17.531 2.219 1.451 1.00 0.00 C ATOM 1795 O CYS B 212 16.987 3.163 2.027 1.00 0.00 O ATOM 1796 CB CYS B 212 15.562 0.724 0.997 1.00 0.00 C ATOM 1797 SG CYS B 212 16.099 -0.527 2.190 1.00 0.00 S ATOM 0 H CYS B 212 18.222 -0.163 0.375 1.00 0.00 H new ATOM 0 HA CYS B 212 16.430 2.112 -0.394 1.00 0.00 H new ATOM 0 HB2 CYS B 212 14.924 1.457 1.491 1.00 0.00 H new ATOM 0 HB3 CYS B 212 14.964 0.257 0.214 1.00 0.00 H new ATOM 1802 N LYS B 213 18.754 1.831 1.717 1.00 0.00 N ATOM 1803 CA LYS B 213 19.581 2.537 2.758 1.00 0.00 C ATOM 1804 C LYS B 213 18.923 2.412 4.140 1.00 0.00 C ATOM 1805 O LYS B 213 18.871 3.365 4.917 1.00 0.00 O ATOM 1806 CB LYS B 213 19.797 4.028 2.386 1.00 0.00 C ATOM 1807 CG LYS B 213 21.103 4.219 1.574 1.00 0.00 C ATOM 1808 CD LYS B 213 22.223 4.749 2.490 1.00 0.00 C ATOM 1809 CE LYS B 213 22.575 3.700 3.550 1.00 0.00 C ATOM 1810 NZ LYS B 213 23.702 4.202 4.387 1.00 0.00 N1+ ATOM 0 H LYS B 213 19.222 1.050 1.257 1.00 0.00 H new ATOM 0 HA LYS B 213 20.559 2.058 2.795 1.00 0.00 H new ATOM 0 HB2 LYS B 213 18.948 4.387 1.804 1.00 0.00 H new ATOM 0 HB3 LYS B 213 19.839 4.630 3.294 1.00 0.00 H new ATOM 0 HG2 LYS B 213 21.405 3.271 1.128 1.00 0.00 H new ATOM 0 HG3 LYS B 213 20.932 4.917 0.754 1.00 0.00 H new ATOM 0 HD2 LYS B 213 23.106 4.989 1.897 1.00 0.00 H new ATOM 0 HD3 LYS B 213 21.903 5.672 2.973 1.00 0.00 H new ATOM 0 HE2 LYS B 213 21.707 3.493 4.176 1.00 0.00 H new ATOM 0 HE3 LYS B 213 22.853 2.761 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 213 23.943 3.492 5.107 1.00 0.00 H new ATOM 0 HZ2 LYS B 213 24.531 4.378 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 213 23.420 5.087 4.855 1.00 0.00 H new ATOM 1824 N HIS B 214 18.444 1.235 4.439 1.00 0.00 N ATOM 1825 CA HIS B 214 17.803 1.018 5.779 1.00 0.00 C ATOM 1826 C HIS B 214 18.156 -0.368 6.318 1.00 0.00 C ATOM 1827 O HIS B 214 17.352 -1.296 6.212 1.00 0.00 O ATOM 1828 CB HIS B 214 16.279 1.112 5.656 1.00 0.00 C ATOM 1829 CG HIS B 214 15.686 1.273 7.027 1.00 0.00 C ATOM 1830 ND1 HIS B 214 15.749 0.268 7.981 1.00 0.00 N ATOM 1831 CD2 HIS B 214 15.009 2.310 7.619 1.00 0.00 C ATOM 1832 CE1 HIS B 214 15.130 0.719 9.086 1.00 0.00 C ATOM 1833 NE2 HIS B 214 14.661 1.957 8.918 1.00 0.00 N ATOM 0 H HIS B 214 18.465 0.420 3.826 1.00 0.00 H new ATOM 0 HA HIS B 214 18.172 1.786 6.459 1.00 0.00 H new ATOM 0 HB2 HIS B 214 16.004 1.957 5.025 1.00 0.00 H new ATOM 0 HB3 HIS B 214 15.884 0.216 5.178 1.00 0.00 H new ATOM 0 HD1 HIS B 214 16.185 -0.647 7.865 1.00 0.00 H new ATOM 0 HD2 HIS B 214 14.782 3.255 7.148 1.00 0.00 H new ATOM 0 HE1 HIS B 214 15.025 0.149 9.998 1.00 0.00 H new ATOM 1841 N HIS B 215 19.339 -0.535 6.846 1.00 0.00 N ATOM 1842 CA HIS B 215 19.721 -1.893 7.320 1.00 0.00 C ATOM 1843 C HIS B 215 18.683 -2.390 8.304 1.00 0.00 C ATOM 1844 O HIS B 215 18.051 -1.613 9.020 1.00 0.00 O ATOM 1845 CB HIS B 215 21.071 -1.867 8.026 1.00 0.00 C ATOM 1846 CG HIS B 215 20.873 -1.809 9.508 1.00 0.00 C ATOM 1847 ND1 HIS B 215 20.522 -0.645 10.174 1.00 0.00 N ATOM 1848 CD2 HIS B 215 20.994 -2.775 10.471 1.00 0.00 C ATOM 1849 CE1 HIS B 215 20.442 -0.941 11.485 1.00 0.00 C ATOM 1850 NE2 HIS B 215 20.720 -2.227 11.718 1.00 0.00 N ATOM 0 H HIS B 215 20.043 0.193 6.967 1.00 0.00 H new ATOM 0 HA HIS B 215 19.782 -2.550 6.452 1.00 0.00 H new ATOM 0 HB2 HIS B 215 21.646 -2.755 7.762 1.00 0.00 H new ATOM 0 HB3 HIS B 215 21.648 -1.004 7.694 1.00 0.00 H new ATOM 0 HD1 HIS B 215 20.355 0.267 9.749 1.00 0.00 H new ATOM 0 HD2 HIS B 215 21.262 -3.805 10.289 1.00 0.00 H new ATOM 0 HE1 HIS B 215 20.185 -0.227 12.253 1.00 0.00 H new ATOM 1858 N VAL B 216 18.517 -3.678 8.314 1.00 0.00 N ATOM 1859 CA VAL B 216 17.508 -4.294 9.236 1.00 0.00 C ATOM 1860 C VAL B 216 18.060 -5.600 9.795 1.00 0.00 C ATOM 1861 O VAL B 216 18.448 -6.464 9.031 1.00 0.00 O ATOM 1862 CB VAL B 216 16.213 -4.592 8.474 1.00 0.00 C ATOM 1863 CG1 VAL B 216 15.784 -3.372 7.661 1.00 0.00 C ATOM 1864 CG2 VAL B 216 16.440 -5.776 7.538 1.00 0.00 C ATOM 0 H VAL B 216 19.031 -4.337 7.729 1.00 0.00 H new ATOM 0 HA VAL B 216 17.301 -3.597 10.048 1.00 0.00 H new ATOM 0 HB VAL B 216 15.426 -4.832 9.189 1.00 0.00 H new ATOM 0 HG11 VAL B 216 14.862 -3.598 7.125 1.00 0.00 H new ATOM 0 HG12 VAL B 216 15.616 -2.529 8.331 1.00 0.00 H new ATOM 0 HG13 VAL B 216 16.567 -3.117 6.946 1.00 0.00 H new ATOM 0 HG21 VAL B 216 15.520 -5.991 6.994 1.00 0.00 H new ATOM 0 HG22 VAL B 216 17.232 -5.533 6.830 1.00 0.00 H new ATOM 0 HG23 VAL B 216 16.730 -6.650 8.121 1.00 0.00 H new ATOM 1874 N GLU B 217 18.069 -5.702 11.105 1.00 0.00 N ATOM 1875 CA GLU B 217 18.573 -6.925 11.847 1.00 0.00 C ATOM 1876 C GLU B 217 18.790 -8.151 10.930 1.00 0.00 C ATOM 1877 O GLU B 217 18.297 -9.241 11.221 1.00 0.00 O ATOM 1878 CB GLU B 217 17.550 -7.278 12.936 1.00 0.00 C ATOM 1879 CG GLU B 217 18.074 -8.407 13.830 1.00 0.00 C ATOM 1880 CD GLU B 217 17.038 -9.523 13.904 1.00 0.00 C ATOM 1881 OE1 GLU B 217 15.868 -9.211 14.041 1.00 0.00 O1- ATOM 1882 OE2 GLU B 217 17.432 -10.674 13.820 1.00 0.00 O ATOM 0 H GLU B 217 17.735 -4.961 11.722 1.00 0.00 H new ATOM 0 HA GLU B 217 19.547 -6.679 12.270 1.00 0.00 H new ATOM 0 HB2 GLU B 217 17.338 -6.397 13.542 1.00 0.00 H new ATOM 0 HB3 GLU B 217 16.610 -7.580 12.474 1.00 0.00 H new ATOM 0 HG2 GLU B 217 19.012 -8.794 13.432 1.00 0.00 H new ATOM 0 HG3 GLU B 217 18.284 -8.026 14.829 1.00 0.00 H new ATOM 1889 N THR B 218 19.491 -7.970 9.840 1.00 0.00 N ATOM 1890 CA THR B 218 19.731 -9.099 8.889 1.00 0.00 C ATOM 1891 C THR B 218 20.442 -8.561 7.637 1.00 0.00 C ATOM 1892 O THR B 218 20.124 -7.462 7.186 1.00 0.00 O ATOM 1893 CB THR B 218 18.380 -9.717 8.498 1.00 0.00 C ATOM 1894 OG1 THR B 218 18.078 -10.777 9.394 1.00 0.00 O ATOM 1895 CG2 THR B 218 18.418 -10.244 7.058 1.00 0.00 C ATOM 0 H THR B 218 19.911 -7.082 9.565 1.00 0.00 H new ATOM 0 HA THR B 218 20.356 -9.859 9.358 1.00 0.00 H new ATOM 0 HB THR B 218 17.608 -8.950 8.558 1.00 0.00 H new ATOM 0 HG1 THR B 218 17.825 -10.407 10.265 1.00 0.00 H new ATOM 0 HG21 THR B 218 17.451 -10.677 6.803 1.00 0.00 H new ATOM 0 HG22 THR B 218 18.639 -9.423 6.376 1.00 0.00 H new ATOM 0 HG23 THR B 218 19.191 -11.007 6.970 1.00 0.00 H new ATOM 1903 N ARG B 219 21.328 -9.330 7.036 1.00 0.00 N ATOM 1904 CA ARG B 219 21.959 -8.835 5.759 1.00 0.00 C ATOM 1905 C ARG B 219 22.422 -10.023 4.921 1.00 0.00 C ATOM 1906 O ARG B 219 23.200 -10.860 5.381 1.00 0.00 O ATOM 1907 CB ARG B 219 23.118 -7.807 6.021 1.00 0.00 C ATOM 1908 CG ARG B 219 24.273 -7.875 4.965 1.00 0.00 C ATOM 1909 CD ARG B 219 23.985 -6.990 3.732 1.00 0.00 C ATOM 1910 NE ARG B 219 24.738 -5.705 3.803 1.00 0.00 N ATOM 1911 CZ ARG B 219 25.978 -5.639 3.401 1.00 0.00 C ATOM 1912 NH1 ARG B 219 26.596 -6.710 2.982 1.00 0.00 N ATOM 1913 NH2 ARG B 219 26.599 -4.490 3.415 1.00 0.00 N ATOM 0 H ARG B 219 21.634 -10.248 7.359 1.00 0.00 H new ATOM 0 HA ARG B 219 21.204 -8.286 5.196 1.00 0.00 H new ATOM 0 HB2 ARG B 219 22.703 -6.799 6.027 1.00 0.00 H new ATOM 0 HB3 ARG B 219 23.534 -7.987 7.013 1.00 0.00 H new ATOM 0 HG2 ARG B 219 25.207 -7.557 5.429 1.00 0.00 H new ATOM 0 HG3 ARG B 219 24.411 -8.908 4.645 1.00 0.00 H new ATOM 0 HD2 ARG B 219 24.260 -7.526 2.824 1.00 0.00 H new ATOM 0 HD3 ARG B 219 22.916 -6.785 3.670 1.00 0.00 H new ATOM 0 HE ARG B 219 24.280 -4.870 4.169 1.00 0.00 H new ATOM 0 HH11 ARG B 219 26.110 -7.606 2.967 1.00 0.00 H new ATOM 0 HH12 ARG B 219 27.565 -6.650 2.669 1.00 0.00 H new ATOM 0 HH21 ARG B 219 26.115 -3.653 3.739 1.00 0.00 H new ATOM 0 HH22 ARG B 219 27.568 -4.430 3.102 1.00 0.00 H new ATOM 1927 N TRP B 220 21.956 -10.059 3.698 1.00 0.00 N ATOM 1928 CA TRP B 220 22.350 -11.156 2.770 1.00 0.00 C ATOM 1929 C TRP B 220 23.204 -10.575 1.640 1.00 0.00 C ATOM 1930 O TRP B 220 22.821 -9.594 1.003 1.00 0.00 O ATOM 1931 CB TRP B 220 21.093 -11.802 2.201 1.00 0.00 C ATOM 1932 CG TRP B 220 20.401 -12.531 3.298 1.00 0.00 C ATOM 1933 CD1 TRP B 220 19.328 -12.071 3.977 1.00 0.00 C ATOM 1934 CD2 TRP B 220 20.724 -13.827 3.860 1.00 0.00 C ATOM 1935 NE1 TRP B 220 18.970 -13.003 4.930 1.00 0.00 N ATOM 1936 CE2 TRP B 220 19.805 -14.116 4.897 1.00 0.00 C ATOM 1937 CE3 TRP B 220 21.723 -14.768 3.567 1.00 0.00 C ATOM 1938 CZ2 TRP B 220 19.884 -15.315 5.621 1.00 0.00 C ATOM 1939 CZ3 TRP B 220 21.804 -15.967 4.289 1.00 0.00 C ATOM 1940 CH2 TRP B 220 20.888 -16.241 5.312 1.00 0.00 C ATOM 0 H TRP B 220 21.316 -9.370 3.303 1.00 0.00 H new ATOM 0 HA TRP B 220 22.930 -11.910 3.303 1.00 0.00 H new ATOM 0 HB2 TRP B 220 20.436 -11.043 1.776 1.00 0.00 H new ATOM 0 HB3 TRP B 220 21.351 -12.488 1.394 1.00 0.00 H new ATOM 0 HD1 TRP B 220 18.831 -11.128 3.803 1.00 0.00 H new ATOM 0 HE1 TRP B 220 18.190 -12.890 5.578 1.00 0.00 H new ATOM 0 HE3 TRP B 220 22.434 -14.567 2.780 1.00 0.00 H new ATOM 0 HZ2 TRP B 220 19.176 -15.522 6.410 1.00 0.00 H new ATOM 0 HZ3 TRP B 220 22.577 -16.684 4.055 1.00 0.00 H new ATOM 0 HH2 TRP B 220 20.956 -17.167 5.863 1.00 0.00 H new ATOM 1951 N HIS B 221 24.352 -11.170 1.421 1.00 0.00 N ATOM 1952 CA HIS B 221 25.269 -10.667 0.355 1.00 0.00 C ATOM 1953 C HIS B 221 25.281 -11.648 -0.814 1.00 0.00 C ATOM 1954 O HIS B 221 25.802 -12.757 -0.704 1.00 0.00 O ATOM 1955 CB HIS B 221 26.684 -10.512 0.930 1.00 0.00 C ATOM 1956 CG HIS B 221 27.550 -9.770 -0.054 1.00 0.00 C ATOM 1957 ND1 HIS B 221 28.122 -8.543 0.250 1.00 0.00 N ATOM 1958 CD2 HIS B 221 27.933 -10.044 -1.346 1.00 0.00 C ATOM 1959 CE1 HIS B 221 28.807 -8.130 -0.833 1.00 0.00 C ATOM 1960 NE2 HIS B 221 28.725 -9.008 -1.831 1.00 0.00 N ATOM 0 H HIS B 221 24.692 -11.982 1.936 1.00 0.00 H new ATOM 0 HA HIS B 221 24.921 -9.697 -0.001 1.00 0.00 H new ATOM 0 HB2 HIS B 221 26.646 -9.972 1.876 1.00 0.00 H new ATOM 0 HB3 HIS B 221 27.112 -11.492 1.140 1.00 0.00 H new ATOM 0 HD1 HIS B 221 28.039 -8.043 1.135 1.00 0.00 H new ATOM 0 HD2 HIS B 221 27.660 -10.930 -1.901 1.00 0.00 H new ATOM 0 HE1 HIS B 221 29.355 -7.201 -0.886 1.00 0.00 H new ATOM 1968 N CYS B 222 24.710 -11.235 -1.915 1.00 0.00 N ATOM 1969 CA CYS B 222 24.656 -12.107 -3.129 1.00 0.00 C ATOM 1970 C CYS B 222 26.046 -12.172 -3.771 1.00 0.00 C ATOM 1971 O CYS B 222 26.669 -11.137 -4.002 1.00 0.00 O ATOM 1972 CB CYS B 222 23.632 -11.514 -4.115 1.00 0.00 C ATOM 1973 SG CYS B 222 23.577 -12.528 -5.605 1.00 0.00 S ATOM 0 H CYS B 222 24.273 -10.320 -2.027 1.00 0.00 H new ATOM 0 HA CYS B 222 24.352 -13.118 -2.859 1.00 0.00 H new ATOM 0 HB2 CYS B 222 22.646 -11.475 -3.652 1.00 0.00 H new ATOM 0 HB3 CYS B 222 23.906 -10.490 -4.369 1.00 0.00 H new ATOM 1978 N THR B 223 26.532 -13.366 -4.057 1.00 0.00 N ATOM 1979 CA THR B 223 27.887 -13.475 -4.674 1.00 0.00 C ATOM 1980 C THR B 223 27.797 -13.201 -6.170 1.00 0.00 C ATOM 1981 O THR B 223 28.400 -12.246 -6.645 1.00 0.00 O ATOM 1982 CB THR B 223 28.464 -14.873 -4.444 1.00 0.00 C ATOM 1983 OG1 THR B 223 27.627 -15.838 -5.060 1.00 0.00 O ATOM 1984 CG2 THR B 223 28.543 -15.156 -2.942 1.00 0.00 C ATOM 0 H THR B 223 26.052 -14.251 -3.890 1.00 0.00 H new ATOM 0 HA THR B 223 28.543 -12.739 -4.209 1.00 0.00 H new ATOM 0 HB THR B 223 29.463 -14.926 -4.877 1.00 0.00 H new ATOM 0 HG1 THR B 223 27.998 -16.733 -4.914 1.00 0.00 H new ATOM 0 HG21 THR B 223 28.954 -16.152 -2.781 1.00 0.00 H new ATOM 0 HG22 THR B 223 29.187 -14.416 -2.466 1.00 0.00 H new ATOM 0 HG23 THR B 223 27.544 -15.101 -2.508 1.00 0.00 H new ATOM 1992 N VAL B 224 27.139 -14.067 -6.902 1.00 0.00 N ATOM 1993 CA VAL B 224 27.066 -13.921 -8.391 1.00 0.00 C ATOM 1994 C VAL B 224 27.105 -12.441 -8.807 1.00 0.00 C ATOM 1995 O VAL B 224 27.849 -12.068 -9.715 1.00 0.00 O ATOM 1996 CB VAL B 224 25.777 -14.603 -8.927 1.00 0.00 C ATOM 1997 CG1 VAL B 224 25.709 -14.569 -10.455 1.00 0.00 C ATOM 1998 CG2 VAL B 224 25.735 -16.058 -8.449 1.00 0.00 C ATOM 0 H VAL B 224 26.644 -14.877 -6.528 1.00 0.00 H new ATOM 0 HA VAL B 224 27.936 -14.412 -8.827 1.00 0.00 H new ATOM 0 HB VAL B 224 24.920 -14.051 -8.541 1.00 0.00 H new ATOM 0 HG11 VAL B 224 24.793 -15.056 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL B 224 25.715 -13.534 -10.797 1.00 0.00 H new ATOM 0 HG13 VAL B 224 26.570 -15.093 -10.869 1.00 0.00 H new ATOM 0 HG21 VAL B 224 24.831 -16.538 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL B 224 26.610 -16.589 -8.823 1.00 0.00 H new ATOM 0 HG23 VAL B 224 25.734 -16.083 -7.359 1.00 0.00 H new ATOM 2008 N CYS B 225 26.297 -11.625 -8.184 1.00 0.00 N ATOM 2009 CA CYS B 225 26.245 -10.173 -8.570 1.00 0.00 C ATOM 2010 C CYS B 225 27.377 -9.386 -7.897 1.00 0.00 C ATOM 2011 O CYS B 225 27.755 -8.312 -8.364 1.00 0.00 O ATOM 2012 CB CYS B 225 25.032 -9.772 -8.206 1.00 0.00 C ATOM 2013 SG CYS B 225 23.584 -10.644 -8.859 1.00 0.00 S ATOM 0 H CYS B 225 25.670 -11.894 -7.426 1.00 0.00 H new ATOM 0 HA CYS B 225 26.400 -10.007 -9.636 1.00 0.00 H new ATOM 0 HB2 CYS B 225 24.982 -9.821 -7.118 1.00 0.00 H new ATOM 0 HB3 CYS B 225 24.936 -8.722 -8.483 1.00 0.00 H new ATOM 2018 N GLU B 226 27.925 -9.950 -6.856 1.00 0.00 N ATOM 2019 CA GLU B 226 29.076 -9.317 -6.126 1.00 0.00 C ATOM 2020 C GLU B 226 28.776 -7.862 -5.741 1.00 0.00 C ATOM 2021 O GLU B 226 28.043 -7.151 -6.423 1.00 0.00 O ATOM 2022 CB GLU B 226 30.333 -9.369 -7.002 1.00 0.00 C ATOM 2023 CG GLU B 226 31.543 -8.835 -6.224 1.00 0.00 C ATOM 2024 CD GLU B 226 31.888 -9.792 -5.087 1.00 0.00 C ATOM 2025 OE1 GLU B 226 31.311 -10.867 -5.045 1.00 0.00 O1- ATOM 2026 OE2 GLU B 226 32.723 -9.434 -4.273 1.00 0.00 O ATOM 0 H GLU B 226 27.621 -10.843 -6.467 1.00 0.00 H new ATOM 0 HA GLU B 226 29.237 -9.879 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU B 226 30.520 -10.394 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU B 226 30.181 -8.777 -7.904 1.00 0.00 H new ATOM 0 HG2 GLU B 226 32.397 -8.726 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU B 226 31.322 -7.845 -5.824 1.00 0.00 H new ATOM 2033 N ASP B 227 29.367 -7.447 -4.653 1.00 0.00 N ATOM 2034 CA ASP B 227 29.173 -6.045 -4.171 1.00 0.00 C ATOM 2035 C ASP B 227 27.696 -5.722 -4.167 1.00 0.00 C ATOM 2036 O ASP B 227 27.303 -4.561 -4.287 1.00 0.00 O ATOM 2037 CB ASP B 227 29.893 -5.054 -5.090 1.00 0.00 C ATOM 2038 CG ASP B 227 31.401 -5.163 -4.889 1.00 0.00 C ATOM 2039 OD1 ASP B 227 31.807 -5.761 -3.903 1.00 0.00 O ATOM 2040 OD2 ASP B 227 32.130 -4.651 -5.720 1.00 0.00 O1- ATOM 0 H ASP B 227 29.979 -8.020 -4.073 1.00 0.00 H new ATOM 0 HA ASP B 227 29.585 -5.961 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP B 227 29.640 -5.259 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP B 227 29.561 -4.038 -4.876 1.00 0.00 H new ATOM 2045 N TYR B 228 26.897 -6.737 -4.023 1.00 0.00 N ATOM 2046 CA TYR B 228 25.425 -6.528 -4.001 1.00 0.00 C ATOM 2047 C TYR B 228 24.933 -6.911 -2.614 1.00 0.00 C ATOM 2048 O TYR B 228 25.146 -8.039 -2.170 1.00 0.00 O ATOM 2049 CB TYR B 228 24.778 -7.400 -5.077 1.00 0.00 C ATOM 2050 CG TYR B 228 23.434 -6.837 -5.462 1.00 0.00 C ATOM 2051 CD1 TYR B 228 23.366 -5.630 -6.165 1.00 0.00 C ATOM 2052 CD2 TYR B 228 22.259 -7.526 -5.136 1.00 0.00 C ATOM 2053 CE1 TYR B 228 22.126 -5.105 -6.542 1.00 0.00 C ATOM 2054 CE2 TYR B 228 21.017 -7.001 -5.512 1.00 0.00 C ATOM 2055 CZ TYR B 228 20.950 -5.792 -6.215 1.00 0.00 C ATOM 2056 OH TYR B 228 19.725 -5.277 -6.588 1.00 0.00 O ATOM 0 H TYR B 228 27.199 -7.706 -3.919 1.00 0.00 H new ATOM 0 HA TYR B 228 25.163 -5.491 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR B 228 25.425 -7.449 -5.953 1.00 0.00 H new ATOM 0 HB3 TYR B 228 24.662 -8.419 -4.709 1.00 0.00 H new ATOM 0 HD1 TYR B 228 24.274 -5.102 -6.417 1.00 0.00 H new ATOM 0 HD2 TYR B 228 22.311 -8.460 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR B 228 22.075 -4.172 -7.084 1.00 0.00 H new ATOM 0 HE2 TYR B 228 20.109 -7.529 -5.260 1.00 0.00 H new ATOM 0 HH TYR B 228 19.012 -5.877 -6.285 1.00 0.00 H new ATOM 2066 N ASP B 229 24.307 -5.979 -1.939 1.00 0.00 N ATOM 2067 CA ASP B 229 23.805 -6.276 -0.548 1.00 0.00 C ATOM 2068 C ASP B 229 22.303 -6.007 -0.470 1.00 0.00 C ATOM 2069 O ASP B 229 21.806 -5.030 -1.027 1.00 0.00 O ATOM 2070 CB ASP B 229 24.585 -5.476 0.525 1.00 0.00 C ATOM 2071 CG ASP B 229 26.049 -5.878 0.499 1.00 0.00 C ATOM 2072 OD1 ASP B 229 26.308 -7.062 0.521 1.00 0.00 O ATOM 2073 OD2 ASP B 229 26.889 -4.991 0.449 1.00 0.00 O1- ATOM 0 H ASP B 229 24.120 -5.036 -2.279 1.00 0.00 H new ATOM 0 HA ASP B 229 23.979 -7.331 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP B 229 24.488 -4.407 0.337 1.00 0.00 H new ATOM 0 HB3 ASP B 229 24.163 -5.666 1.512 1.00 0.00 H new ATOM 2078 N LEU B 230 21.597 -6.901 0.186 1.00 0.00 N ATOM 2079 CA LEU B 230 20.111 -6.771 0.295 1.00 0.00 C ATOM 2080 C LEU B 230 19.634 -6.929 1.755 1.00 0.00 C ATOM 2081 O LEU B 230 20.211 -7.691 2.529 1.00 0.00 O ATOM 2082 CB LEU B 230 19.463 -7.851 -0.585 1.00 0.00 C ATOM 2083 CG LEU B 230 19.829 -7.618 -2.057 1.00 0.00 C ATOM 2084 CD1 LEU B 230 19.286 -8.768 -2.912 1.00 0.00 C ATOM 2085 CD2 LEU B 230 19.220 -6.301 -2.546 1.00 0.00 C ATOM 0 H LEU B 230 21.991 -7.718 0.652 1.00 0.00 H new ATOM 0 HA LEU B 230 19.818 -5.776 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU B 230 19.800 -8.839 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU B 230 18.380 -7.830 -0.463 1.00 0.00 H new ATOM 0 HG LEU B 230 20.914 -7.572 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU B 230 19.547 -8.600 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU B 230 19.722 -9.709 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU B 230 18.202 -8.815 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU B 230 19.485 -6.144 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU B 230 18.135 -6.344 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU B 230 19.606 -5.477 -1.946 1.00 0.00 H new ATOM 2097 N CYS B 231 18.564 -6.231 2.089 1.00 0.00 N ATOM 2098 CA CYS B 231 17.973 -6.326 3.478 1.00 0.00 C ATOM 2099 C CYS B 231 16.733 -7.232 3.427 1.00 0.00 C ATOM 2100 O CYS B 231 16.424 -7.806 2.384 1.00 0.00 O ATOM 2101 CB CYS B 231 17.532 -4.705 4.221 1.00 0.00 C ATOM 2102 SG CYS B 231 16.267 -4.201 3.030 1.00 0.00 S ATOM 0 H CYS B 231 18.072 -5.597 1.459 1.00 0.00 H new ATOM 0 HA CYS B 231 18.746 -6.745 4.122 1.00 0.00 H new ATOM 0 HB2 CYS B 231 17.145 -4.796 5.236 1.00 0.00 H new ATOM 0 HB3 CYS B 231 18.374 -4.015 4.261 1.00 0.00 H new ATOM 2107 N ILE B 232 16.059 -7.365 4.544 1.00 0.00 N ATOM 2108 CA ILE B 232 14.844 -8.243 4.610 1.00 0.00 C ATOM 2109 C ILE B 232 13.708 -7.648 3.747 1.00 0.00 C ATOM 2110 O ILE B 232 12.837 -8.365 3.257 1.00 0.00 O ATOM 2111 CB ILE B 232 14.384 -8.368 6.074 1.00 0.00 C ATOM 2112 CG1 ILE B 232 13.556 -9.647 6.261 1.00 0.00 C ATOM 2113 CG2 ILE B 232 13.555 -7.143 6.487 1.00 0.00 C ATOM 2114 CD1 ILE B 232 13.303 -9.934 7.746 1.00 0.00 C ATOM 0 H ILE B 232 16.299 -6.900 5.420 1.00 0.00 H new ATOM 0 HA ILE B 232 15.093 -9.231 4.223 1.00 0.00 H new ATOM 0 HB ILE B 232 15.269 -8.420 6.709 1.00 0.00 H new ATOM 0 HG12 ILE B 232 12.604 -9.546 5.740 1.00 0.00 H new ATOM 0 HG13 ILE B 232 14.078 -10.490 5.809 1.00 0.00 H new ATOM 0 HG21 ILE B 232 13.239 -7.250 7.525 1.00 0.00 H new ATOM 0 HG22 ILE B 232 14.160 -6.242 6.383 1.00 0.00 H new ATOM 0 HG23 ILE B 232 12.676 -7.066 5.847 1.00 0.00 H new ATOM 0 HD11 ILE B 232 12.714 -10.846 7.845 1.00 0.00 H new ATOM 0 HD12 ILE B 232 14.256 -10.060 8.260 1.00 0.00 H new ATOM 0 HD13 ILE B 232 12.759 -9.101 8.190 1.00 0.00 H new ATOM 2126 N ASN B 233 13.732 -6.354 3.575 1.00 0.00 N ATOM 2127 CA ASN B 233 12.670 -5.674 2.761 1.00 0.00 C ATOM 2128 C ASN B 233 12.899 -5.864 1.259 1.00 0.00 C ATOM 2129 O ASN B 233 12.022 -6.358 0.549 1.00 0.00 O ATOM 2130 CB ASN B 233 12.643 -4.174 3.084 1.00 0.00 C ATOM 2131 CG ASN B 233 12.431 -3.954 4.583 1.00 0.00 C ATOM 2132 OD1 ASN B 233 11.611 -4.638 5.196 1.00 0.00 O ATOM 2133 ND2 ASN B 233 13.120 -3.043 5.214 1.00 0.00 N ATOM 0 H ASN B 233 14.442 -5.732 3.962 1.00 0.00 H new ATOM 0 HA ASN B 233 11.714 -6.130 3.021 1.00 0.00 H new ATOM 0 HB2 ASN B 233 13.579 -3.711 2.771 1.00 0.00 H new ATOM 0 HB3 ASN B 233 11.844 -3.689 2.522 1.00 0.00 H new ATOM 0 HD21 ASN B 233 12.979 -2.898 6.214 1.00 0.00 H new ATOM 0 HD22 ASN B 233 13.800 -2.476 4.707 1.00 0.00 H new ATOM 2140 N CYS B 234 14.027 -5.422 0.780 1.00 0.00 N ATOM 2141 CA CYS B 234 14.302 -5.503 -0.689 1.00 0.00 C ATOM 2142 C CYS B 234 14.295 -6.971 -1.129 1.00 0.00 C ATOM 2143 O CYS B 234 13.759 -7.318 -2.177 1.00 0.00 O ATOM 2144 CB CYS B 234 15.547 -4.907 -0.884 1.00 0.00 C ATOM 2145 SG CYS B 234 15.660 -3.156 -0.480 1.00 0.00 S ATOM 0 H CYS B 234 14.773 -5.007 1.338 1.00 0.00 H new ATOM 0 HA CYS B 234 13.545 -4.992 -1.284 1.00 0.00 H new ATOM 0 HB2 CYS B 234 16.282 -5.445 -0.286 1.00 0.00 H new ATOM 0 HB3 CYS B 234 15.830 -5.037 -1.929 1.00 0.00 H new ATOM 2150 N TYR B 235 14.890 -7.804 -0.325 1.00 0.00 N ATOM 2151 CA TYR B 235 14.952 -9.261 -0.640 1.00 0.00 C ATOM 2152 C TYR B 235 13.550 -9.852 -0.777 1.00 0.00 C ATOM 2153 O TYR B 235 13.264 -10.570 -1.735 1.00 0.00 O ATOM 2154 CB TYR B 235 15.715 -9.999 0.463 1.00 0.00 C ATOM 2155 CG TYR B 235 15.556 -11.487 0.269 1.00 0.00 C ATOM 2156 CD1 TYR B 235 16.279 -12.133 -0.741 1.00 0.00 C ATOM 2157 CD2 TYR B 235 14.688 -12.221 1.088 1.00 0.00 C ATOM 2158 CE1 TYR B 235 16.138 -13.511 -0.930 1.00 0.00 C ATOM 2159 CE2 TYR B 235 14.546 -13.601 0.897 1.00 0.00 C ATOM 2160 CZ TYR B 235 15.272 -14.245 -0.113 1.00 0.00 C ATOM 2161 OH TYR B 235 15.132 -15.604 -0.302 1.00 0.00 O ATOM 0 H TYR B 235 15.343 -7.536 0.549 1.00 0.00 H new ATOM 0 HA TYR B 235 15.472 -9.382 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR B 235 16.770 -9.728 0.435 1.00 0.00 H new ATOM 0 HB3 TYR B 235 15.336 -9.706 1.442 1.00 0.00 H new ATOM 0 HD1 TYR B 235 16.946 -11.567 -1.374 1.00 0.00 H new ATOM 0 HD2 TYR B 235 14.129 -11.723 1.866 1.00 0.00 H new ATOM 0 HE1 TYR B 235 16.698 -14.009 -1.707 1.00 0.00 H new ATOM 0 HE2 TYR B 235 13.877 -14.168 1.528 1.00 0.00 H new ATOM 0 HH TYR B 235 14.493 -15.961 0.350 1.00 0.00 H new ATOM 2171 N ASN B 236 12.697 -9.555 0.159 1.00 0.00 N ATOM 2172 CA ASN B 236 11.307 -10.089 0.107 1.00 0.00 C ATOM 2173 C ASN B 236 10.536 -9.479 -1.065 1.00 0.00 C ATOM 2174 O ASN B 236 9.771 -10.167 -1.742 1.00 0.00 O ATOM 2175 CB ASN B 236 10.577 -9.776 1.422 1.00 0.00 C ATOM 2176 CG ASN B 236 9.144 -10.302 1.373 1.00 0.00 C ATOM 2177 OD1 ASN B 236 8.860 -11.262 0.660 1.00 0.00 O ATOM 2178 ND2 ASN B 236 8.218 -9.734 2.107 1.00 0.00 N ATOM 0 H ASN B 236 12.902 -8.962 0.963 1.00 0.00 H new ATOM 0 HA ASN B 236 11.359 -11.169 -0.033 1.00 0.00 H new ATOM 0 HB2 ASN B 236 11.109 -10.230 2.258 1.00 0.00 H new ATOM 0 HB3 ASN B 236 10.571 -8.700 1.595 1.00 0.00 H new ATOM 0 HD21 ASN B 236 7.262 -10.089 2.086 1.00 0.00 H new ATOM 0 HD22 ASN B 236 8.454 -8.937 2.699 1.00 0.00 H new ATOM 2185 N THR B 237 10.715 -8.203 -1.274 1.00 0.00 N ATOM 2186 CA THR B 237 9.974 -7.516 -2.374 1.00 0.00 C ATOM 2187 C THR B 237 10.576 -7.844 -3.741 1.00 0.00 C ATOM 2188 O THR B 237 9.858 -8.235 -4.662 1.00 0.00 O ATOM 2189 CB THR B 237 10.014 -6.000 -2.157 1.00 0.00 C ATOM 2190 OG1 THR B 237 11.352 -5.602 -1.896 1.00 0.00 O ATOM 2191 CG2 THR B 237 9.127 -5.617 -0.968 1.00 0.00 C ATOM 0 H THR B 237 11.341 -7.606 -0.733 1.00 0.00 H new ATOM 0 HA THR B 237 8.943 -7.871 -2.356 1.00 0.00 H new ATOM 0 HB THR B 237 9.645 -5.498 -3.052 1.00 0.00 H new ATOM 0 HG1 THR B 237 11.504 -5.581 -0.928 1.00 0.00 H new ATOM 0 HG21 THR B 237 9.162 -4.537 -0.821 1.00 0.00 H new ATOM 0 HG22 THR B 237 8.100 -5.924 -1.167 1.00 0.00 H new ATOM 0 HG23 THR B 237 9.488 -6.117 -0.069 1.00 0.00 H new ATOM 2199 N LYS B 238 11.863 -7.677 -3.872 1.00 0.00 N ATOM 2200 CA LYS B 238 12.521 -7.964 -5.193 1.00 0.00 C ATOM 2201 C LYS B 238 12.491 -9.462 -5.494 1.00 0.00 C ATOM 2202 O LYS B 238 12.259 -9.860 -6.635 1.00 0.00 O ATOM 2203 CB LYS B 238 13.974 -7.477 -5.197 1.00 0.00 C ATOM 2204 CG LYS B 238 14.005 -5.945 -5.307 1.00 0.00 C ATOM 2205 CD LYS B 238 15.445 -5.438 -5.474 1.00 0.00 C ATOM 2206 CE LYS B 238 15.463 -3.934 -5.768 1.00 0.00 C ATOM 2207 NZ LYS B 238 16.741 -3.565 -6.431 1.00 0.00 N1+ ATOM 0 H LYS B 238 12.489 -7.357 -3.133 1.00 0.00 H new ATOM 0 HA LYS B 238 11.965 -7.429 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS B 238 14.477 -7.796 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS B 238 14.515 -7.922 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS B 238 13.401 -5.625 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS B 238 13.560 -5.503 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS B 238 16.015 -5.643 -4.567 1.00 0.00 H new ATOM 0 HD3 LYS B 238 15.933 -5.977 -6.286 1.00 0.00 H new ATOM 0 HE2 LYS B 238 14.621 -3.669 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS B 238 15.348 -3.372 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 238 17.230 -2.842 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 238 17.345 -4.407 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 238 16.543 -3.187 -7.379 1.00 0.00 H new ATOM 2221 N SER B 239 12.744 -10.276 -4.495 1.00 0.00 N ATOM 2222 CA SER B 239 12.758 -11.754 -4.718 1.00 0.00 C ATOM 2223 C SER B 239 14.087 -12.150 -5.368 1.00 0.00 C ATOM 2224 O SER B 239 14.121 -12.920 -6.328 1.00 0.00 O ATOM 2225 CB SER B 239 11.589 -12.165 -5.619 1.00 0.00 C ATOM 2226 OG SER B 239 12.037 -12.280 -6.965 1.00 0.00 O ATOM 0 H SER B 239 12.940 -9.980 -3.539 1.00 0.00 H new ATOM 0 HA SER B 239 12.652 -12.266 -3.761 1.00 0.00 H new ATOM 0 HB2 SER B 239 11.174 -13.115 -5.282 1.00 0.00 H new ATOM 0 HB3 SER B 239 10.790 -11.427 -5.554 1.00 0.00 H new ATOM 0 HG SER B 239 12.367 -11.411 -7.275 1.00 0.00 H new ATOM 2232 N HIS B 240 15.162 -11.616 -4.851 1.00 0.00 N ATOM 2233 CA HIS B 240 16.516 -11.915 -5.417 1.00 0.00 C ATOM 2234 C HIS B 240 17.124 -13.107 -4.683 1.00 0.00 C ATOM 2235 O HIS B 240 17.632 -12.952 -3.573 1.00 0.00 O ATOM 2236 CB HIS B 240 17.060 -10.188 -7.188 1.00 0.00 C ATOM 2237 CG HIS B 240 18.561 -10.281 -7.166 1.00 0.00 C ATOM 2238 ND1 HIS B 240 19.365 -9.152 -7.277 1.00 0.00 N ATOM 2239 CD2 HIS B 240 19.415 -11.334 -6.947 1.00 0.00 C ATOM 2240 CE1 HIS B 240 20.639 -9.544 -7.103 1.00 0.00 C ATOM 2241 NE2 HIS B 240 20.715 -10.856 -6.890 1.00 0.00 N ATOM 0 H HIS B 240 15.163 -10.980 -4.054 1.00 0.00 H new ATOM 0 HA HIS B 240 17.431 -12.231 -5.919 1.00 0.00 H new ATOM 0 HB2 HIS B 240 16.638 -10.438 -8.162 1.00 0.00 H new ATOM 0 HB3 HIS B 240 16.697 -9.193 -6.929 1.00 0.00 H new ATOM 0 HD1 HIS B 240 19.046 -8.200 -7.458 1.00 0.00 H new ATOM 0 HD2 HIS B 240 19.121 -12.367 -6.837 1.00 0.00 H new ATOM 0 HE1 HIS B 240 21.491 -8.881 -7.132 1.00 0.00 H new ATOM 2249 N ALA B 241 17.067 -14.281 -5.262 1.00 0.00 N ATOM 2250 CA ALA B 241 17.638 -15.462 -4.540 1.00 0.00 C ATOM 2251 C ALA B 241 19.168 -15.461 -4.644 1.00 0.00 C ATOM 2252 O ALA B 241 19.827 -14.790 -3.853 1.00 0.00 O ATOM 2253 CB ALA B 241 17.080 -16.749 -5.153 1.00 0.00 C ATOM 0 H ALA B 241 16.662 -14.472 -6.178 1.00 0.00 H new ATOM 0 HA ALA B 241 17.359 -15.405 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA B 241 17.494 -17.611 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA B 241 15.994 -16.755 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA B 241 17.354 -16.799 -6.207 1.00 0.00 H new ATOM 2259 N HIS B 242 19.720 -16.207 -5.580 1.00 0.00 N ATOM 2260 CA HIS B 242 21.200 -16.299 -5.727 1.00 0.00 C ATOM 2261 C HIS B 242 21.802 -16.744 -4.389 1.00 0.00 C ATOM 2262 O HIS B 242 21.620 -16.097 -3.372 1.00 0.00 O ATOM 2263 CB HIS B 242 21.926 -15.000 -6.223 1.00 0.00 C ATOM 2264 CG HIS B 242 21.358 -14.711 -7.592 1.00 0.00 C ATOM 2265 ND1 HIS B 242 21.713 -13.594 -8.325 1.00 0.00 N ATOM 2266 CD2 HIS B 242 20.429 -15.371 -8.362 1.00 0.00 C ATOM 2267 CE1 HIS B 242 21.016 -13.594 -9.470 1.00 0.00 C ATOM 2268 NE2 HIS B 242 20.215 -14.660 -9.546 1.00 0.00 N ATOM 0 H HIS B 242 19.192 -16.761 -6.254 1.00 0.00 H new ATOM 0 HA HIS B 242 21.367 -17.026 -6.522 1.00 0.00 H new ATOM 0 HB2 HIS B 242 21.748 -14.168 -5.542 1.00 0.00 H new ATOM 0 HB3 HIS B 242 23.005 -15.148 -6.270 1.00 0.00 H new ATOM 0 HD2 HIS B 242 19.940 -16.296 -8.093 1.00 0.00 H new ATOM 0 HE1 HIS B 242 21.092 -12.832 -10.231 1.00 0.00 H new ATOM 0 HE2 HIS B 242 19.581 -14.904 -10.307 1.00 0.00 H new ATOM 2276 N LYS B 243 22.462 -17.872 -4.383 1.00 0.00 N ATOM 2277 CA LYS B 243 23.035 -18.398 -3.100 1.00 0.00 C ATOM 2278 C LYS B 243 23.741 -17.292 -2.321 1.00 0.00 C ATOM 2279 O LYS B 243 24.914 -17.000 -2.547 1.00 0.00 O ATOM 2280 CB LYS B 243 24.031 -19.520 -3.401 1.00 0.00 C ATOM 2281 CG LYS B 243 23.380 -20.579 -4.299 1.00 0.00 C ATOM 2282 CD LYS B 243 22.307 -21.344 -3.512 1.00 0.00 C ATOM 2283 CE LYS B 243 21.696 -22.458 -4.374 1.00 0.00 C ATOM 2284 NZ LYS B 243 20.684 -23.224 -3.588 1.00 0.00 N1+ ATOM 0 H LYS B 243 22.631 -18.452 -5.205 1.00 0.00 H new ATOM 0 HA LYS B 243 22.215 -18.782 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS B 243 24.914 -19.110 -3.891 1.00 0.00 H new ATOM 0 HB3 LYS B 243 24.366 -19.978 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS B 243 22.933 -20.103 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS B 243 24.137 -21.272 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS B 243 22.746 -21.773 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS B 243 21.525 -20.656 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS B 243 21.229 -22.027 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS B 243 22.481 -23.130 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 243 20.278 -23.975 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS B 243 21.140 -23.650 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 243 19.927 -22.582 -3.277 1.00 0.00 H new ATOM 2298 N MET B 244 23.013 -16.689 -1.420 1.00 0.00 N ATOM 2299 CA MET B 244 23.593 -15.586 -0.600 1.00 0.00 C ATOM 2300 C MET B 244 24.228 -16.150 0.659 1.00 0.00 C ATOM 2301 O MET B 244 23.796 -17.176 1.182 1.00 0.00 O ATOM 2302 CB MET B 244 22.521 -14.573 -0.214 1.00 0.00 C ATOM 2303 CG MET B 244 21.635 -14.328 -1.418 1.00 0.00 C ATOM 2304 SD MET B 244 20.637 -12.844 -1.145 1.00 0.00 S ATOM 2305 CE MET B 244 19.344 -13.615 -0.146 1.00 0.00 C ATOM 0 H MET B 244 22.039 -16.913 -1.216 1.00 0.00 H new ATOM 0 HA MET B 244 24.352 -15.083 -1.200 1.00 0.00 H new ATOM 0 HB2 MET B 244 21.930 -14.947 0.622 1.00 0.00 H new ATOM 0 HB3 MET B 244 22.981 -13.641 0.114 1.00 0.00 H new ATOM 0 HG2 MET B 244 22.245 -14.208 -2.313 1.00 0.00 H new ATOM 0 HG3 MET B 244 20.987 -15.188 -1.587 1.00 0.00 H new ATOM 0 HE1 MET B 244 18.686 -12.844 0.256 1.00 0.00 H new ATOM 0 HE2 MET B 244 18.765 -14.299 -0.766 1.00 0.00 H new ATOM 0 HE3 MET B 244 19.800 -14.167 0.676 1.00 0.00 H new ATOM 2315 N VAL B 245 25.224 -15.457 1.143 1.00 0.00 N ATOM 2316 CA VAL B 245 25.911 -15.896 2.392 1.00 0.00 C ATOM 2317 C VAL B 245 25.689 -14.824 3.463 1.00 0.00 C ATOM 2318 O VAL B 245 26.066 -13.666 3.277 1.00 0.00 O ATOM 2319 CB VAL B 245 27.407 -16.094 2.115 1.00 0.00 C ATOM 2320 CG1 VAL B 245 27.635 -17.489 1.529 1.00 0.00 C ATOM 2321 CG2 VAL B 245 27.895 -15.049 1.103 1.00 0.00 C ATOM 0 H VAL B 245 25.593 -14.603 0.725 1.00 0.00 H new ATOM 0 HA VAL B 245 25.506 -16.845 2.742 1.00 0.00 H new ATOM 0 HB VAL B 245 27.958 -15.984 3.049 1.00 0.00 H new ATOM 0 HG11 VAL B 245 28.697 -17.631 1.332 1.00 0.00 H new ATOM 0 HG12 VAL B 245 27.294 -18.242 2.239 1.00 0.00 H new ATOM 0 HG13 VAL B 245 27.076 -17.588 0.598 1.00 0.00 H new ATOM 0 HG21 VAL B 245 28.958 -15.196 0.912 1.00 0.00 H new ATOM 0 HG22 VAL B 245 27.340 -15.158 0.171 1.00 0.00 H new ATOM 0 HG23 VAL B 245 27.734 -14.049 1.506 1.00 0.00 H new ATOM 2331 N LYS B 246 25.087 -15.212 4.563 1.00 0.00 N ATOM 2332 CA LYS B 246 24.825 -14.225 5.658 1.00 0.00 C ATOM 2333 C LYS B 246 26.172 -13.773 6.205 1.00 0.00 C ATOM 2334 O LYS B 246 26.955 -14.594 6.678 1.00 0.00 O ATOM 2335 CB LYS B 246 23.966 -14.913 6.766 1.00 0.00 C ATOM 2336 CG LYS B 246 24.029 -14.156 8.127 1.00 0.00 C ATOM 2337 CD LYS B 246 23.310 -12.792 8.032 1.00 0.00 C ATOM 2338 CE LYS B 246 21.997 -12.784 8.843 1.00 0.00 C ATOM 2339 NZ LYS B 246 20.951 -12.053 8.079 1.00 0.00 N1+ ATOM 0 H LYS B 246 24.768 -16.163 4.749 1.00 0.00 H new ATOM 0 HA LYS B 246 24.274 -13.358 5.293 1.00 0.00 H new ATOM 0 HB2 LYS B 246 22.929 -14.971 6.434 1.00 0.00 H new ATOM 0 HB3 LYS B 246 24.313 -15.937 6.907 1.00 0.00 H new ATOM 0 HG2 LYS B 246 23.567 -14.762 8.907 1.00 0.00 H new ATOM 0 HG3 LYS B 246 25.069 -14.004 8.416 1.00 0.00 H new ATOM 0 HD2 LYS B 246 23.970 -12.006 8.399 1.00 0.00 H new ATOM 0 HD3 LYS B 246 23.095 -12.566 6.988 1.00 0.00 H new ATOM 0 HE2 LYS B 246 21.672 -13.806 9.041 1.00 0.00 H new ATOM 0 HE3 LYS B 246 22.157 -12.308 9.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 246 20.017 -12.454 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 246 20.967 -11.047 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 246 21.137 -12.146 7.060 1.00 0.00 H new ATOM 2353 N TRP B 247 26.415 -12.484 6.175 1.00 0.00 N ATOM 2354 CA TRP B 247 27.696 -11.953 6.711 1.00 0.00 C ATOM 2355 C TRP B 247 27.391 -11.068 7.908 1.00 0.00 C ATOM 2356 O TRP B 247 26.513 -10.210 7.852 1.00 0.00 O ATOM 2357 CB TRP B 247 28.419 -11.110 5.648 1.00 0.00 C ATOM 2358 CG TRP B 247 28.885 -11.951 4.487 1.00 0.00 C ATOM 2359 CD1 TRP B 247 28.910 -13.309 4.431 1.00 0.00 C ATOM 2360 CD2 TRP B 247 29.414 -11.493 3.207 1.00 0.00 C ATOM 2361 NE1 TRP B 247 29.395 -13.699 3.196 1.00 0.00 N ATOM 2362 CE2 TRP B 247 29.720 -12.620 2.412 1.00 0.00 C ATOM 2363 CE3 TRP B 247 29.649 -10.218 2.661 1.00 0.00 C ATOM 2364 CZ2 TRP B 247 30.235 -12.496 1.128 1.00 0.00 C ATOM 2365 CZ3 TRP B 247 30.175 -10.087 1.366 1.00 0.00 C ATOM 2366 CH2 TRP B 247 30.467 -11.225 0.599 1.00 0.00 C ATOM 0 H TRP B 247 25.777 -11.781 5.801 1.00 0.00 H new ATOM 0 HA TRP B 247 28.335 -12.788 6.996 1.00 0.00 H new ATOM 0 HB2 TRP B 247 27.749 -10.330 5.286 1.00 0.00 H new ATOM 0 HB3 TRP B 247 29.275 -10.610 6.101 1.00 0.00 H new ATOM 0 HD1 TRP B 247 28.601 -13.975 5.223 1.00 0.00 H new ATOM 0 HE1 TRP B 247 29.499 -14.671 2.903 1.00 0.00 H new ATOM 0 HE3 TRP B 247 29.424 -9.335 3.241 1.00 0.00 H new ATOM 0 HZ2 TRP B 247 30.454 -13.377 0.543 1.00 0.00 H new ATOM 0 HZ3 TRP B 247 30.356 -9.104 0.957 1.00 0.00 H new ATOM 0 HH2 TRP B 247 30.870 -11.118 -0.397 1.00 0.00 H new ATOM 2377 N GLY B 248 28.108 -11.283 8.965 1.00 0.00 N ATOM 2378 CA GLY B 248 27.893 -10.474 10.194 1.00 0.00 C ATOM 2379 C GLY B 248 29.210 -10.402 10.956 1.00 0.00 C ATOM 2380 O GLY B 248 30.160 -11.118 10.635 1.00 0.00 O ATOM 0 H GLY B 248 28.841 -11.989 9.035 1.00 0.00 H new ATOM 0 HA2 GLY B 248 27.550 -9.473 9.934 1.00 0.00 H new ATOM 0 HA3 GLY B 248 27.119 -10.925 10.815 1.00 0.00 H new ATOM 2384 N LEU B 249 29.269 -9.558 11.946 1.00 0.00 N ATOM 2385 CA LEU B 249 30.534 -9.436 12.732 1.00 0.00 C ATOM 2386 C LEU B 249 30.276 -8.658 14.034 1.00 0.00 C ATOM 2387 O LEU B 249 31.190 -8.009 14.548 1.00 0.00 O ATOM 2388 CB LEU B 249 31.608 -8.715 11.901 1.00 0.00 C ATOM 2389 CG LEU B 249 31.022 -7.489 11.191 1.00 0.00 C ATOM 2390 CD1 LEU B 249 31.860 -6.259 11.538 1.00 0.00 C ATOM 2391 CD2 LEU B 249 31.064 -7.716 9.676 1.00 0.00 C ATOM 0 H LEU B 249 28.506 -8.951 12.246 1.00 0.00 H new ATOM 0 HA LEU B 249 30.888 -10.437 12.979 1.00 0.00 H new ATOM 0 HB2 LEU B 249 32.428 -8.407 12.549 1.00 0.00 H new ATOM 0 HB3 LEU B 249 32.025 -9.402 11.164 1.00 0.00 H new ATOM 0 HG LEU B 249 29.992 -7.335 11.512 1.00 0.00 H new ATOM 0 HD11 LEU B 249 31.447 -5.384 11.036 1.00 0.00 H new ATOM 0 HD12 LEU B 249 31.843 -6.100 12.616 1.00 0.00 H new ATOM 0 HD13 LEU B 249 32.888 -6.415 11.210 1.00 0.00 H new ATOM 0 HD21 LEU B 249 30.648 -6.847 9.166 1.00 0.00 H new ATOM 0 HD22 LEU B 249 32.096 -7.863 9.359 1.00 0.00 H new ATOM 0 HD23 LEU B 249 30.477 -8.599 9.424 1.00 0.00 H new ATOM 2403 N GLY B 250 29.055 -8.702 14.548 1.00 0.00 N ATOM 2404 CA GLY B 250 28.737 -7.942 15.806 1.00 0.00 C ATOM 2405 C GLY B 250 28.369 -8.882 16.957 1.00 0.00 C ATOM 2406 O GLY B 250 28.875 -10.001 17.059 1.00 0.00 O ATOM 0 H GLY B 250 28.276 -9.228 14.151 1.00 0.00 H new ATOM 0 HA2 GLY B 250 29.596 -7.335 16.092 1.00 0.00 H new ATOM 0 HA3 GLY B 250 27.911 -7.256 15.618 1.00 0.00 H new ATOM 2410 N LEU B 251 27.505 -8.399 17.818 1.00 0.00 N ATOM 2411 CA LEU B 251 27.074 -9.204 19.003 1.00 0.00 C ATOM 2412 C LEU B 251 25.640 -9.685 18.777 1.00 0.00 C ATOM 2413 O LEU B 251 24.742 -8.878 18.536 1.00 0.00 O ATOM 2414 CB LEU B 251 27.113 -8.352 20.289 1.00 0.00 C ATOM 2415 CG LEU B 251 27.673 -6.944 20.014 1.00 0.00 C ATOM 2416 CD1 LEU B 251 26.585 -6.074 19.376 1.00 0.00 C ATOM 2417 CD2 LEU B 251 28.104 -6.305 21.338 1.00 0.00 C ATOM 0 H LEU B 251 27.078 -7.475 17.749 1.00 0.00 H new ATOM 0 HA LEU B 251 27.754 -10.048 19.119 1.00 0.00 H new ATOM 0 HB2 LEU B 251 26.108 -8.271 20.704 1.00 0.00 H new ATOM 0 HB3 LEU B 251 27.728 -8.850 21.038 1.00 0.00 H new ATOM 0 HG LEU B 251 28.526 -7.020 19.340 1.00 0.00 H new ATOM 0 HD11 LEU B 251 26.983 -5.078 19.182 1.00 0.00 H new ATOM 0 HD12 LEU B 251 26.262 -6.525 18.438 1.00 0.00 H new ATOM 0 HD13 LEU B 251 25.735 -5.999 20.054 1.00 0.00 H new ATOM 0 HD21 LEU B 251 28.501 -5.308 21.148 1.00 0.00 H new ATOM 0 HD22 LEU B 251 27.244 -6.232 22.004 1.00 0.00 H new ATOM 0 HD23 LEU B 251 28.874 -6.919 21.805 1.00 0.00 H new ATOM 2429 N ASP B 252 25.430 -10.974 18.850 1.00 0.00 N ATOM 2430 CA ASP B 252 24.054 -11.521 18.630 1.00 0.00 C ATOM 2431 C ASP B 252 23.315 -11.621 19.958 1.00 0.00 C ATOM 2432 O ASP B 252 23.641 -12.456 20.802 1.00 0.00 O ATOM 2433 CB ASP B 252 24.130 -12.899 17.969 1.00 0.00 C ATOM 2434 CG ASP B 252 22.735 -13.350 17.554 1.00 0.00 C ATOM 2435 OD1 ASP B 252 21.893 -13.482 18.425 1.00 0.00 O ATOM 2436 OD2 ASP B 252 22.528 -13.555 16.369 1.00 0.00 O1- ATOM 0 H ASP B 252 26.147 -11.671 19.051 1.00 0.00 H new ATOM 0 HA ASP B 252 23.510 -10.845 17.970 1.00 0.00 H new ATOM 0 HB2 ASP B 252 24.783 -12.859 17.098 1.00 0.00 H new ATOM 0 HB3 ASP B 252 24.565 -13.621 18.661 1.00 0.00 H new ATOM 2441 N ASP B 253 22.334 -10.774 20.123 1.00 0.00 N ATOM 2442 CA ASP B 253 21.537 -10.779 21.381 1.00 0.00 C ATOM 2443 C ASP B 253 20.694 -9.511 21.446 1.00 0.00 C ATOM 2444 O ASP B 253 20.741 -8.681 20.541 1.00 0.00 O ATOM 2445 CB ASP B 253 22.466 -10.844 22.593 1.00 0.00 C ATOM 2446 CG ASP B 253 21.818 -10.153 23.785 1.00 0.00 C ATOM 2447 OD1 ASP B 253 20.853 -10.690 24.303 1.00 0.00 O1- ATOM 2448 OD2 ASP B 253 22.294 -9.097 24.161 1.00 0.00 O ATOM 0 H ASP B 253 22.050 -10.076 19.436 1.00 0.00 H new ATOM 0 HA ASP B 253 20.886 -11.653 21.391 1.00 0.00 H new ATOM 0 HB2 ASP B 253 22.684 -11.883 22.839 1.00 0.00 H new ATOM 0 HB3 ASP B 253 23.417 -10.366 22.358 1.00 0.00 H new TER 2453 ASP B 253 HETATM 2454 ZN ZN B 300 16.769 -2.605 1.457 1.00 0.00 ZN HETATM 2455 ZN ZN B 301 22.304 -11.924 -7.432 1.00 0.00 ZN