USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -13! C(o=-27!,f=-32!) USER MOD Set 1.2: A 105 HEM CMC :methyl -30:sc= -14.1! (180deg=-13.5!) USER MOD Set 2.1: A 75 SER OG : rot -35:sc= -1.26 USER MOD Set 2.2: A 105 HEM CMB :methyl -30:sc= -1.93 (180deg=-0.521) USER MOD Set 3.1: A 31 TYR OH : rot 144:sc= -0.479 USER MOD Set 3.2: A 92 THR OG1 : rot 88:sc= -1.23! USER MOD Set 4.1: A 25 THR OG1 : rot -15:sc= -3.46! USER MOD Set 4.2: A 37 THR OG1 : rot -95:sc= 1.03 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 1:sc= 0.784 USER MOD Single : A 5 SER OG : rot -9:sc= 0.656 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -150:sc= 0.155 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 17 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -17.1! C(o=-17!,f=-17!) USER MOD Single : A 20 ASN :FLIP amide:sc= -4.16! C(o=-13!,f=-4.2!) USER MOD Single : A 21 ASN : amide:sc= -0.0048 X(o=-0.0048,f=-0.0026) USER MOD Single : A 22 SER OG : rot -16:sc= 0.335 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 45:sc= 0.115 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 19:sc= 0.893 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0.115 (180deg=0.114) USER MOD Single : A 59 THR OG1 : rot -17:sc= -1.89! USER MOD Single : A 61 ASN : amide:sc= -1.97 X(o=-2,f=-1.9) USER MOD Single : A 68 SER OG : rot -74:sc= 1.21 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -97:sc= 0.877 USER MOD Single : A 84 HIS : no HD1:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 89 SER OG : rot -25:sc= 0.281 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -10:sc= 0.862 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -4.34 (180deg=-4.34) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.567 -2.194 -30.920 1.00 0.00 N ATOM 2 CA ALA A 1 33.638 -3.423 -30.149 1.00 0.00 C ATOM 3 C ALA A 1 32.272 -4.113 -30.171 1.00 0.00 C ATOM 4 O ALA A 1 32.129 -5.196 -30.739 1.00 0.00 O ATOM 5 CB ALA A 1 34.109 -3.109 -28.728 1.00 0.00 C ATOM 0 H1 ALA A 1 34.494 -1.722 -30.907 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.304 -2.415 -31.902 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.852 -1.564 -30.504 1.00 0.00 H new ATOM 0 HA ALA A 1 34.362 -4.109 -30.588 1.00 0.00 H new ATOM 0 HB1 ALA A 1 34.162 -4.032 -28.150 1.00 0.00 H new ATOM 0 HB2 ALA A 1 35.096 -2.647 -28.765 1.00 0.00 H new ATOM 0 HB3 ALA A 1 33.405 -2.424 -28.254 1.00 0.00 H new ATOM 11 N GLU A 2 31.305 -3.460 -29.547 1.00 0.00 N ATOM 12 CA GLU A 2 29.955 -3.997 -29.489 1.00 0.00 C ATOM 13 C GLU A 2 29.047 -3.064 -28.683 1.00 0.00 C ATOM 14 O GLU A 2 29.526 -2.273 -27.872 1.00 0.00 O ATOM 15 CB GLU A 2 29.953 -5.408 -28.897 1.00 0.00 C ATOM 16 CG GLU A 2 28.959 -6.308 -29.635 1.00 0.00 C ATOM 17 CD GLU A 2 28.434 -7.412 -28.715 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.311 -7.132 -27.503 1.00 0.00 O ATOM 19 OE2 GLU A 2 28.167 -8.513 -29.244 1.00 0.00 O ATOM 0 H GLU A 2 31.428 -2.563 -29.076 1.00 0.00 H new ATOM 0 HA GLU A 2 29.566 -4.063 -30.505 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.954 -5.835 -28.961 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.693 -5.363 -27.839 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.126 -5.710 -30.004 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.442 -6.753 -30.505 1.00 0.00 H new ATOM 26 N GLU A 3 27.753 -3.187 -28.937 1.00 0.00 N ATOM 27 CA GLU A 3 26.774 -2.364 -28.247 1.00 0.00 C ATOM 28 C GLU A 3 25.387 -2.562 -28.861 1.00 0.00 C ATOM 29 O GLU A 3 25.197 -2.345 -30.057 1.00 0.00 O ATOM 30 CB GLU A 3 27.180 -0.890 -28.274 1.00 0.00 C ATOM 31 CG GLU A 3 27.344 -0.341 -26.855 1.00 0.00 C ATOM 32 CD GLU A 3 28.123 0.976 -26.864 1.00 0.00 C ATOM 33 OE1 GLU A 3 27.800 1.821 -27.727 1.00 0.00 O ATOM 34 OE2 GLU A 3 29.026 1.109 -26.009 1.00 0.00 O ATOM 0 H GLU A 3 27.359 -3.844 -29.611 1.00 0.00 H new ATOM 0 HA GLU A 3 26.736 -2.677 -27.204 1.00 0.00 H new ATOM 0 HB2 GLU A 3 28.115 -0.777 -28.822 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.426 -0.311 -28.807 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.363 -0.185 -26.406 1.00 0.00 H new ATOM 0 HG3 GLU A 3 27.865 -1.072 -26.236 1.00 0.00 H new ATOM 41 N SER A 4 24.453 -2.974 -28.016 1.00 0.00 N ATOM 42 CA SER A 4 23.089 -3.203 -28.461 1.00 0.00 C ATOM 43 C SER A 4 22.212 -3.604 -27.272 1.00 0.00 C ATOM 44 O SER A 4 22.440 -4.639 -26.647 1.00 0.00 O ATOM 45 CB SER A 4 23.037 -4.283 -29.544 1.00 0.00 C ATOM 46 OG SER A 4 23.192 -5.591 -29.003 1.00 0.00 O ATOM 0 H SER A 4 24.614 -3.155 -27.025 1.00 0.00 H new ATOM 0 HA SER A 4 22.709 -2.276 -28.890 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.086 -4.220 -30.073 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.822 -4.099 -30.277 1.00 0.00 H new ATOM 0 HG SER A 4 23.286 -5.533 -28.029 1.00 0.00 H new ATOM 52 N SER A 5 21.226 -2.762 -26.996 1.00 0.00 N ATOM 53 CA SER A 5 20.314 -3.015 -25.894 1.00 0.00 C ATOM 54 C SER A 5 19.257 -1.911 -25.826 1.00 0.00 C ATOM 55 O SER A 5 19.589 -0.736 -25.675 1.00 0.00 O ATOM 56 CB SER A 5 21.068 -3.111 -24.566 1.00 0.00 C ATOM 57 OG SER A 5 21.336 -1.826 -24.011 1.00 0.00 O ATOM 0 H SER A 5 21.039 -1.905 -27.516 1.00 0.00 H new ATOM 0 HA SER A 5 19.821 -3.971 -26.070 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.482 -3.697 -23.858 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.007 -3.643 -24.720 1.00 0.00 H new ATOM 0 HG SER A 5 21.115 -1.133 -24.668 1.00 0.00 H new ATOM 63 N LYS A 6 18.004 -2.327 -25.941 1.00 0.00 N ATOM 64 CA LYS A 6 16.896 -1.387 -25.895 1.00 0.00 C ATOM 65 C LYS A 6 15.577 -2.160 -25.910 1.00 0.00 C ATOM 66 O LYS A 6 15.543 -3.331 -26.289 1.00 0.00 O ATOM 67 CB LYS A 6 17.019 -0.358 -27.020 1.00 0.00 C ATOM 68 CG LYS A 6 16.786 -1.009 -28.386 1.00 0.00 C ATOM 69 CD LYS A 6 17.139 -0.043 -29.519 1.00 0.00 C ATOM 70 CE LYS A 6 16.528 -0.507 -30.843 1.00 0.00 C ATOM 71 NZ LYS A 6 15.393 0.363 -31.223 1.00 0.00 N ATOM 0 H LYS A 6 17.731 -3.302 -26.066 1.00 0.00 H new ATOM 0 HA LYS A 6 16.920 -0.815 -24.968 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.295 0.442 -26.866 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.009 0.098 -26.994 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.391 -1.912 -28.471 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.743 -1.314 -28.475 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.776 0.956 -29.277 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.222 0.027 -29.618 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.286 -0.489 -31.626 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.188 -1.539 -30.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.990 0.034 -32.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.663 0.325 -30.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.727 1.342 -31.330 1.00 0.00 H new ATOM 85 N ALA A 7 14.522 -1.476 -25.493 1.00 0.00 N ATOM 86 CA ALA A 7 13.203 -2.084 -25.455 1.00 0.00 C ATOM 87 C ALA A 7 13.077 -2.941 -24.193 1.00 0.00 C ATOM 88 O ALA A 7 13.452 -4.112 -24.194 1.00 0.00 O ATOM 89 CB ALA A 7 12.976 -2.894 -26.733 1.00 0.00 C ATOM 0 H ALA A 7 14.554 -0.506 -25.178 1.00 0.00 H new ATOM 0 HA ALA A 7 12.429 -1.317 -25.413 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.986 -3.350 -26.704 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.047 -2.235 -27.599 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.733 -3.675 -26.808 1.00 0.00 H new ATOM 95 N VAL A 8 12.549 -2.323 -23.148 1.00 0.00 N ATOM 96 CA VAL A 8 12.371 -3.014 -21.882 1.00 0.00 C ATOM 97 C VAL A 8 11.967 -4.465 -22.151 1.00 0.00 C ATOM 98 O VAL A 8 12.697 -5.392 -21.803 1.00 0.00 O ATOM 99 CB VAL A 8 11.358 -2.262 -21.013 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.399 -1.441 -21.877 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.591 -3.227 -20.108 1.00 0.00 C ATOM 0 H VAL A 8 12.238 -1.351 -23.151 1.00 0.00 H new ATOM 0 HA VAL A 8 13.307 -3.035 -21.323 1.00 0.00 H new ATOM 0 HB VAL A 8 11.909 -1.571 -20.375 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.690 -0.917 -21.236 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.966 -0.716 -22.461 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.857 -2.105 -22.551 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.878 -2.668 -19.501 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.056 -3.953 -20.720 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.291 -3.749 -19.456 1.00 0.00 H new ATOM 111 N LYS A 9 10.804 -4.617 -22.769 1.00 0.00 N ATOM 112 CA LYS A 9 10.293 -5.940 -23.088 1.00 0.00 C ATOM 113 C LYS A 9 9.758 -6.597 -21.814 1.00 0.00 C ATOM 114 O LYS A 9 8.580 -6.942 -21.737 1.00 0.00 O ATOM 115 CB LYS A 9 11.362 -6.767 -23.804 1.00 0.00 C ATOM 116 CG LYS A 9 10.984 -7.003 -25.267 1.00 0.00 C ATOM 117 CD LYS A 9 10.342 -8.379 -25.454 1.00 0.00 C ATOM 118 CE LYS A 9 10.058 -8.656 -26.932 1.00 0.00 C ATOM 119 NZ LYS A 9 9.195 -9.851 -27.078 1.00 0.00 N ATOM 0 H LYS A 9 10.201 -3.846 -23.057 1.00 0.00 H new ATOM 0 HA LYS A 9 9.457 -5.868 -23.784 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.321 -6.252 -23.751 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.486 -7.724 -23.298 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.293 -6.228 -25.597 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.873 -6.925 -25.893 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.003 -9.149 -25.056 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.413 -8.431 -24.886 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.572 -7.791 -27.383 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.996 -8.809 -27.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.012 -10.026 -28.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.673 -10.677 -26.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.294 -9.691 -26.585 1.00 0.00 H new ATOM 133 N TYR A 10 10.650 -6.751 -20.846 1.00 0.00 N ATOM 134 CA TYR A 10 10.281 -7.360 -19.579 1.00 0.00 C ATOM 135 C TYR A 10 10.899 -6.599 -18.405 1.00 0.00 C ATOM 136 O TYR A 10 12.117 -6.450 -18.330 1.00 0.00 O ATOM 137 CB TYR A 10 10.856 -8.778 -19.611 1.00 0.00 C ATOM 138 CG TYR A 10 11.674 -9.090 -20.866 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.957 -8.598 -20.992 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.130 -9.864 -21.871 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.728 -8.891 -22.173 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.901 -10.157 -23.050 1.00 0.00 C ATOM 143 CZ TYR A 10 13.161 -9.657 -23.143 1.00 0.00 C ATOM 144 OH TYR A 10 13.890 -9.934 -24.259 1.00 0.00 O ATOM 0 H TYR A 10 11.627 -6.465 -20.914 1.00 0.00 H new ATOM 0 HA TYR A 10 9.199 -7.350 -19.448 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.486 -8.923 -18.734 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.037 -9.493 -19.537 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.383 -7.993 -20.205 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.126 -10.250 -21.772 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.733 -8.511 -22.285 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.487 -10.761 -23.844 1.00 0.00 H new ATOM 0 HH TYR A 10 13.360 -10.491 -24.866 1.00 0.00 H new ATOM 154 N TYR A 11 10.031 -6.139 -17.517 1.00 0.00 N ATOM 155 CA TYR A 11 10.476 -5.398 -16.350 1.00 0.00 C ATOM 156 C TYR A 11 9.879 -5.983 -15.068 1.00 0.00 C ATOM 157 O TYR A 11 8.978 -6.818 -15.123 1.00 0.00 O ATOM 158 CB TYR A 11 9.956 -3.971 -16.533 1.00 0.00 C ATOM 159 CG TYR A 11 11.039 -2.959 -16.918 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.344 -3.159 -16.515 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.710 -1.846 -17.665 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.362 -2.209 -16.877 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.729 -0.895 -18.027 1.00 0.00 C ATOM 164 CZ TYR A 11 13.005 -1.122 -17.614 1.00 0.00 C ATOM 165 OH TYR A 11 13.967 -0.225 -17.955 1.00 0.00 O ATOM 0 H TYR A 11 9.021 -6.265 -17.582 1.00 0.00 H new ATOM 0 HA TYR A 11 11.561 -5.440 -16.260 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.184 -3.972 -17.303 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.482 -3.646 -15.607 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.601 -4.028 -15.928 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.688 -1.688 -17.978 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.387 -2.355 -16.571 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.486 -0.021 -18.613 1.00 0.00 H new ATOM 0 HH TYR A 11 13.569 0.667 -18.033 1.00 0.00 H new ATOM 175 N THR A 12 10.405 -5.522 -13.943 1.00 0.00 N ATOM 176 CA THR A 12 9.936 -5.989 -12.650 1.00 0.00 C ATOM 177 C THR A 12 9.119 -4.899 -11.954 1.00 0.00 C ATOM 178 O THR A 12 9.341 -3.711 -12.180 1.00 0.00 O ATOM 179 CB THR A 12 11.154 -6.445 -11.843 1.00 0.00 C ATOM 180 OG1 THR A 12 11.811 -5.232 -11.489 1.00 0.00 O ATOM 181 CG2 THR A 12 12.179 -7.189 -12.699 1.00 0.00 C ATOM 0 H THR A 12 11.152 -4.829 -13.900 1.00 0.00 H new ATOM 0 HA THR A 12 9.261 -6.839 -12.756 1.00 0.00 H new ATOM 0 HB THR A 12 10.827 -7.090 -11.027 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.612 -5.435 -10.962 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.022 -7.490 -12.077 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.715 -8.074 -13.135 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.531 -6.534 -13.496 1.00 0.00 H new ATOM 189 N LEU A 13 8.190 -5.344 -11.119 1.00 0.00 N ATOM 190 CA LEU A 13 7.338 -4.421 -10.389 1.00 0.00 C ATOM 191 C LEU A 13 8.203 -3.334 -9.746 1.00 0.00 C ATOM 192 O LEU A 13 7.798 -2.175 -9.674 1.00 0.00 O ATOM 193 CB LEU A 13 6.461 -5.178 -9.390 1.00 0.00 C ATOM 194 CG LEU A 13 5.055 -5.541 -9.874 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.165 -5.965 -8.703 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.438 -4.395 -10.677 1.00 0.00 C ATOM 0 H LEU A 13 8.009 -6.330 -10.932 1.00 0.00 H new ATOM 0 HA LEU A 13 6.649 -3.920 -11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.975 -6.097 -9.108 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.369 -4.574 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 13 5.135 -6.397 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.172 -6.218 -9.074 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.601 -6.835 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.088 -5.145 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.439 -4.680 -11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.373 -3.506 -10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.062 -4.182 -11.545 1.00 0.00 H new ATOM 208 N GLU A 14 9.378 -3.748 -9.296 1.00 0.00 N ATOM 209 CA GLU A 14 10.304 -2.825 -8.662 1.00 0.00 C ATOM 210 C GLU A 14 10.741 -1.746 -9.655 1.00 0.00 C ATOM 211 O GLU A 14 10.719 -0.558 -9.336 1.00 0.00 O ATOM 212 CB GLU A 14 11.514 -3.566 -8.091 1.00 0.00 C ATOM 213 CG GLU A 14 11.603 -3.386 -6.575 1.00 0.00 C ATOM 214 CD GLU A 14 11.191 -4.666 -5.844 1.00 0.00 C ATOM 215 OE1 GLU A 14 12.073 -5.539 -5.690 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.004 -4.743 -5.459 1.00 0.00 O ATOM 0 H GLU A 14 9.710 -4.710 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 14 9.791 -2.341 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.442 -4.627 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.426 -3.195 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.622 -3.116 -6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.959 -2.563 -6.265 1.00 0.00 H new ATOM 223 N GLU A 15 11.129 -2.197 -10.838 1.00 0.00 N ATOM 224 CA GLU A 15 11.571 -1.286 -11.880 1.00 0.00 C ATOM 225 C GLU A 15 10.473 -0.267 -12.194 1.00 0.00 C ATOM 226 O GLU A 15 10.749 0.921 -12.349 1.00 0.00 O ATOM 227 CB GLU A 15 11.985 -2.050 -13.139 1.00 0.00 C ATOM 228 CG GLU A 15 12.500 -1.094 -14.216 1.00 0.00 C ATOM 229 CD GLU A 15 14.011 -1.243 -14.405 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.506 -2.365 -14.159 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.638 -0.232 -14.788 1.00 0.00 O ATOM 0 H GLU A 15 11.147 -3.183 -11.099 1.00 0.00 H new ATOM 0 HA GLU A 15 12.447 -0.749 -11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.760 -2.775 -12.890 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.134 -2.612 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.991 -1.294 -15.159 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.264 -0.067 -13.938 1.00 0.00 H new ATOM 238 N ILE A 16 9.250 -0.769 -12.278 1.00 0.00 N ATOM 239 CA ILE A 16 8.109 0.081 -12.571 1.00 0.00 C ATOM 240 C ILE A 16 7.844 0.999 -11.376 1.00 0.00 C ATOM 241 O ILE A 16 7.572 2.188 -11.549 1.00 0.00 O ATOM 242 CB ILE A 16 6.900 -0.764 -12.978 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.308 -1.873 -13.949 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.784 0.115 -13.548 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.672 -3.207 -13.558 1.00 0.00 C ATOM 0 H ILE A 16 9.024 -1.755 -12.148 1.00 0.00 H new ATOM 0 HA ILE A 16 8.321 0.722 -13.426 1.00 0.00 H new ATOM 0 HB ILE A 16 6.505 -1.248 -12.085 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.005 -1.605 -14.961 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.393 -1.972 -13.957 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.936 -0.510 -13.830 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.468 0.837 -12.794 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.151 0.645 -14.427 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.979 -3.978 -14.265 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.997 -3.485 -12.555 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.586 -3.111 -13.574 1.00 0.00 H new ATOM 257 N GLN A 17 7.933 0.415 -10.191 1.00 0.00 N ATOM 258 CA GLN A 17 7.705 1.166 -8.967 1.00 0.00 C ATOM 259 C GLN A 17 8.599 2.406 -8.933 1.00 0.00 C ATOM 260 O GLN A 17 8.356 3.330 -8.156 1.00 0.00 O ATOM 261 CB GLN A 17 7.934 0.289 -7.735 1.00 0.00 C ATOM 262 CG GLN A 17 6.955 0.648 -6.615 1.00 0.00 C ATOM 263 CD GLN A 17 7.638 1.501 -5.544 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.833 1.419 -5.317 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.813 2.322 -4.900 1.00 0.00 N ATOM 0 H GLN A 17 8.160 -0.570 -10.051 1.00 0.00 H new ATOM 0 HA GLN A 17 6.665 1.492 -8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.815 -0.760 -8.004 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.958 0.413 -7.381 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.105 1.190 -7.030 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.563 -0.263 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.822 2.341 -5.140 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.172 2.933 -4.166 1.00 0.00 H new ATOM 274 N LYS A 18 9.614 2.390 -9.784 1.00 0.00 N ATOM 275 CA LYS A 18 10.545 3.502 -9.861 1.00 0.00 C ATOM 276 C LYS A 18 10.035 4.520 -10.882 1.00 0.00 C ATOM 277 O LYS A 18 10.056 5.723 -10.630 1.00 0.00 O ATOM 278 CB LYS A 18 11.960 2.998 -10.148 1.00 0.00 C ATOM 279 CG LYS A 18 12.311 3.162 -11.628 1.00 0.00 C ATOM 280 CD LYS A 18 13.603 2.420 -11.972 1.00 0.00 C ATOM 281 CE LYS A 18 14.647 3.377 -12.550 1.00 0.00 C ATOM 282 NZ LYS A 18 16.009 2.971 -12.133 1.00 0.00 N ATOM 0 H LYS A 18 9.812 1.623 -10.427 1.00 0.00 H new ATOM 0 HA LYS A 18 10.604 4.016 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.676 3.548 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.040 1.948 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.495 2.782 -12.243 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.422 4.220 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.000 1.940 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.392 1.629 -12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.580 3.384 -13.638 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.444 4.393 -12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.706 3.631 -12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.074 2.987 -11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.205 2.009 -12.477 1.00 0.00 H new ATOM 296 N HIS A 19 9.589 3.999 -12.016 1.00 0.00 N ATOM 297 CA HIS A 19 9.074 4.847 -13.078 1.00 0.00 C ATOM 298 C HIS A 19 7.622 5.225 -12.774 1.00 0.00 C ATOM 299 O HIS A 19 6.695 4.561 -13.236 1.00 0.00 O ATOM 300 CB HIS A 19 9.239 4.172 -14.440 1.00 0.00 C ATOM 301 CG HIS A 19 10.676 3.942 -14.843 1.00 0.00 C ATOM 302 ND1 HIS A 19 11.426 4.888 -15.516 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.492 2.863 -14.657 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.638 4.392 -15.723 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.675 3.137 -15.190 1.00 0.00 N ATOM 0 H HIS A 19 9.574 3.000 -12.222 1.00 0.00 H new ATOM 0 HA HIS A 19 9.651 5.771 -13.124 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.719 3.214 -14.424 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.754 4.786 -15.199 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.220 1.943 -14.160 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.452 4.893 -16.225 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.481 2.512 -15.200 1.00 0.00 H new ATOM 314 N ASN A 20 7.471 6.290 -12.001 1.00 0.00 N ATOM 315 CA ASN A 20 6.148 6.764 -11.630 1.00 0.00 C ATOM 316 C ASN A 20 6.045 8.260 -11.931 1.00 0.00 C ATOM 317 O ASN A 20 5.066 8.905 -11.561 1.00 0.00 O ATOM 318 CB ASN A 20 5.890 6.563 -10.136 1.00 0.00 C ATOM 319 CG ASN A 20 6.678 5.367 -9.600 1.00 0.00 C ATOM 320 OD1 ASN A 20 6.652 4.301 -10.394 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 7.272 5.409 -8.534 1.00 0.00 N flip ATOM 0 H ASN A 20 8.243 6.838 -11.621 1.00 0.00 H new ATOM 0 HA ASN A 20 5.413 6.197 -12.202 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.172 7.463 -9.590 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.825 6.407 -9.965 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.252 6.260 -7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.789 4.593 -8.206 1.00 0.00 H new ATOM 328 N ASN A 21 7.072 8.770 -12.599 1.00 0.00 N ATOM 329 CA ASN A 21 7.108 10.178 -12.952 1.00 0.00 C ATOM 330 C ASN A 21 6.835 10.331 -14.450 1.00 0.00 C ATOM 331 O ASN A 21 7.101 9.418 -15.229 1.00 0.00 O ATOM 332 CB ASN A 21 8.483 10.783 -12.659 1.00 0.00 C ATOM 333 CG ASN A 21 8.927 10.468 -11.230 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.191 10.636 -10.271 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.171 10.004 -11.140 1.00 0.00 N ATOM 0 H ASN A 21 7.884 8.233 -12.904 1.00 0.00 H new ATOM 0 HA ASN A 21 6.352 10.694 -12.360 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.215 10.391 -13.366 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.447 11.863 -12.803 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.562 9.765 -10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.734 9.887 -11.983 1.00 0.00 H new ATOM 342 N SER A 22 6.305 11.492 -14.807 1.00 0.00 N ATOM 343 CA SER A 22 5.992 11.776 -16.197 1.00 0.00 C ATOM 344 C SER A 22 7.242 11.598 -17.062 1.00 0.00 C ATOM 345 O SER A 22 7.153 11.569 -18.288 1.00 0.00 O ATOM 346 CB SER A 22 5.433 13.191 -16.359 1.00 0.00 C ATOM 347 OG SER A 22 5.294 13.557 -17.728 1.00 0.00 O ATOM 0 H SER A 22 6.085 12.247 -14.157 1.00 0.00 H new ATOM 0 HA SER A 22 5.227 11.072 -16.525 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.463 13.256 -15.866 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.093 13.901 -15.859 1.00 0.00 H new ATOM 0 HG SER A 22 5.815 12.942 -18.286 1.00 0.00 H new ATOM 353 N LYS A 23 8.376 11.482 -16.390 1.00 0.00 N ATOM 354 CA LYS A 23 9.642 11.307 -17.080 1.00 0.00 C ATOM 355 C LYS A 23 9.629 9.972 -17.828 1.00 0.00 C ATOM 356 O LYS A 23 10.181 9.866 -18.923 1.00 0.00 O ATOM 357 CB LYS A 23 10.811 11.453 -16.103 1.00 0.00 C ATOM 358 CG LYS A 23 11.442 12.843 -16.205 1.00 0.00 C ATOM 359 CD LYS A 23 11.807 13.383 -14.822 1.00 0.00 C ATOM 360 CE LYS A 23 11.204 14.770 -14.596 1.00 0.00 C ATOM 361 NZ LYS A 23 12.160 15.823 -15.004 1.00 0.00 N ATOM 0 H LYS A 23 8.445 11.506 -15.373 1.00 0.00 H new ATOM 0 HA LYS A 23 9.781 12.090 -17.825 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.462 11.282 -15.085 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.563 10.692 -16.314 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.335 12.796 -16.828 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.748 13.526 -16.694 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.448 12.698 -14.054 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.891 13.434 -14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.280 14.869 -15.166 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.945 14.893 -13.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.735 16.759 -14.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.031 15.738 -14.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.387 15.714 -16.013 1.00 0.00 H new ATOM 375 N SER A 24 8.996 8.988 -17.208 1.00 0.00 N ATOM 376 CA SER A 24 8.904 7.666 -17.802 1.00 0.00 C ATOM 377 C SER A 24 7.776 6.871 -17.140 1.00 0.00 C ATOM 378 O SER A 24 7.908 5.670 -16.912 1.00 0.00 O ATOM 379 CB SER A 24 10.229 6.912 -17.675 1.00 0.00 C ATOM 380 OG SER A 24 10.965 6.917 -18.894 1.00 0.00 O ATOM 0 H SER A 24 8.541 9.080 -16.300 1.00 0.00 H new ATOM 0 HA SER A 24 8.683 7.783 -18.863 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.830 7.366 -16.887 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.033 5.883 -17.374 1.00 0.00 H new ATOM 0 HG SER A 24 10.952 7.818 -19.280 1.00 0.00 H new ATOM 386 N THR A 25 6.693 7.575 -16.847 1.00 0.00 N ATOM 387 CA THR A 25 5.544 6.951 -16.216 1.00 0.00 C ATOM 388 C THR A 25 5.299 5.561 -16.805 1.00 0.00 C ATOM 389 O THR A 25 4.879 5.434 -17.953 1.00 0.00 O ATOM 390 CB THR A 25 4.348 7.895 -16.371 1.00 0.00 C ATOM 391 OG1 THR A 25 4.768 9.096 -15.730 1.00 0.00 O ATOM 392 CG2 THR A 25 3.135 7.442 -15.555 1.00 0.00 C ATOM 0 H THR A 25 6.587 8.572 -17.035 1.00 0.00 H new ATOM 0 HA THR A 25 5.717 6.792 -15.152 1.00 0.00 H new ATOM 0 HB THR A 25 4.073 7.962 -17.424 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.560 8.914 -15.181 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.315 8.146 -15.700 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.825 6.450 -15.884 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.400 7.407 -14.498 1.00 0.00 H new ATOM 400 N TRP A 26 5.576 4.552 -15.993 1.00 0.00 N ATOM 401 CA TRP A 26 5.392 3.175 -16.418 1.00 0.00 C ATOM 402 C TRP A 26 4.367 2.525 -15.488 1.00 0.00 C ATOM 403 O TRP A 26 4.225 2.929 -14.336 1.00 0.00 O ATOM 404 CB TRP A 26 6.727 2.428 -16.451 1.00 0.00 C ATOM 405 CG TRP A 26 7.718 2.969 -17.484 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.472 3.801 -18.506 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.130 2.680 -17.558 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.617 4.069 -19.228 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.657 3.365 -18.632 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.935 1.866 -16.740 1.00 0.00 C ATOM 411 CZ2 TRP A 26 11.009 3.305 -18.989 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.283 1.817 -17.110 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.831 2.502 -18.190 1.00 0.00 C ATOM 0 H TRP A 26 5.927 4.661 -15.042 1.00 0.00 H new ATOM 0 HA TRP A 26 5.010 3.135 -17.438 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.184 2.479 -15.463 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.537 1.375 -16.661 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.499 4.210 -18.736 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.687 4.672 -20.048 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.543 1.322 -15.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.398 3.850 -19.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 11.945 1.205 -16.516 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.885 2.415 -18.410 1.00 0.00 H new ATOM 424 N LEU A 27 3.679 1.528 -16.023 1.00 0.00 N ATOM 425 CA LEU A 27 2.669 0.816 -15.256 1.00 0.00 C ATOM 426 C LEU A 27 2.393 -0.536 -15.915 1.00 0.00 C ATOM 427 O LEU A 27 2.934 -0.835 -16.977 1.00 0.00 O ATOM 428 CB LEU A 27 1.421 1.683 -15.081 1.00 0.00 C ATOM 429 CG LEU A 27 0.385 1.600 -16.205 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.065 1.558 -17.574 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.557 0.412 -15.995 1.00 0.00 C ATOM 0 H LEU A 27 3.800 1.195 -16.979 1.00 0.00 H new ATOM 0 HA LEU A 27 3.030 0.610 -14.248 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.937 1.403 -14.145 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.735 2.722 -14.979 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.225 2.503 -16.176 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.307 1.499 -18.355 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.660 2.461 -17.713 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.714 0.684 -17.631 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.283 0.376 -16.807 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.020 -0.512 -15.983 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.080 0.526 -15.045 1.00 0.00 H new ATOM 443 N ILE A 28 1.550 -1.318 -15.255 1.00 0.00 N ATOM 444 CA ILE A 28 1.194 -2.631 -15.764 1.00 0.00 C ATOM 445 C ILE A 28 -0.283 -2.638 -16.159 1.00 0.00 C ATOM 446 O ILE A 28 -1.123 -2.087 -15.448 1.00 0.00 O ATOM 447 CB ILE A 28 1.564 -3.717 -14.750 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.536 -3.175 -13.699 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.115 -4.959 -15.453 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.981 -3.251 -14.196 1.00 0.00 C ATOM 0 H ILE A 28 1.104 -1.067 -14.373 1.00 0.00 H new ATOM 0 HA ILE A 28 1.766 -2.858 -16.664 1.00 0.00 H new ATOM 0 HB ILE A 28 0.657 -4.020 -14.226 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.283 -2.141 -13.463 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.435 -3.746 -12.776 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.370 -5.715 -14.710 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.361 -5.357 -16.132 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.007 -4.691 -16.019 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.650 -2.860 -13.430 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.239 -4.289 -14.407 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.085 -2.659 -15.105 1.00 0.00 H new ATOM 462 N LEU A 29 -0.558 -3.268 -17.292 1.00 0.00 N ATOM 463 CA LEU A 29 -1.919 -3.354 -17.791 1.00 0.00 C ATOM 464 C LEU A 29 -2.172 -4.762 -18.333 1.00 0.00 C ATOM 465 O LEU A 29 -1.565 -5.167 -19.323 1.00 0.00 O ATOM 466 CB LEU A 29 -2.187 -2.246 -18.810 1.00 0.00 C ATOM 467 CG LEU A 29 -3.435 -1.395 -18.563 1.00 0.00 C ATOM 468 CD1 LEU A 29 -3.925 -0.750 -19.862 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.531 -2.215 -17.881 1.00 0.00 C ATOM 0 H LEU A 29 0.140 -3.724 -17.879 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.631 -3.191 -16.982 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.320 -1.586 -18.835 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.271 -2.700 -19.797 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.168 -0.586 -17.883 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.813 -0.151 -19.659 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.141 -0.111 -20.269 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.170 -1.528 -20.585 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.407 -1.587 -17.717 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.803 -3.058 -18.516 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.166 -2.585 -16.923 1.00 0.00 H new ATOM 481 N HIS A 30 -3.067 -5.470 -17.659 1.00 0.00 N ATOM 482 CA HIS A 30 -3.407 -6.823 -18.061 1.00 0.00 C ATOM 483 C HIS A 30 -2.288 -7.779 -17.644 1.00 0.00 C ATOM 484 O HIS A 30 -2.552 -8.843 -17.085 1.00 0.00 O ATOM 485 CB HIS A 30 -3.712 -6.885 -19.560 1.00 0.00 C ATOM 486 CG HIS A 30 -4.574 -8.057 -19.963 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.101 -9.357 -20.005 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.883 -8.111 -20.343 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.089 -10.149 -20.394 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.193 -9.374 -20.602 1.00 0.00 N ATOM 0 H HIS A 30 -3.567 -5.131 -16.837 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.317 -7.139 -17.551 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.209 -5.962 -19.858 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.772 -6.932 -20.110 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.553 -7.268 -20.420 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.031 -11.220 -20.524 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.106 -9.711 -20.907 1.00 0.00 H new ATOM 499 N TYR A 31 -1.062 -7.365 -17.929 1.00 0.00 N ATOM 500 CA TYR A 31 0.098 -8.171 -17.590 1.00 0.00 C ATOM 501 C TYR A 31 1.369 -7.594 -18.216 1.00 0.00 C ATOM 502 O TYR A 31 2.475 -8.020 -17.890 1.00 0.00 O ATOM 503 CB TYR A 31 -0.164 -9.558 -18.182 1.00 0.00 C ATOM 504 CG TYR A 31 -0.009 -10.702 -17.178 1.00 0.00 C ATOM 505 CD1 TYR A 31 0.860 -10.573 -16.114 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.738 -11.862 -17.337 1.00 0.00 C ATOM 507 CE1 TYR A 31 1.006 -11.649 -15.169 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.592 -12.940 -16.393 1.00 0.00 C ATOM 509 CZ TYR A 31 0.273 -12.781 -15.355 1.00 0.00 C ATOM 510 OH TYR A 31 0.412 -13.797 -14.463 1.00 0.00 O ATOM 0 H TYR A 31 -0.847 -6.481 -18.391 1.00 0.00 H new ATOM 0 HA TYR A 31 0.244 -8.198 -16.510 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.174 -9.582 -18.592 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.521 -9.722 -19.013 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.431 -9.665 -15.990 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.419 -11.962 -18.170 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.682 -11.560 -14.331 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.156 -13.854 -16.507 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.454 -14.235 -14.329 1.00 0.00 H new ATOM 520 N LYS A 32 1.167 -6.632 -19.105 1.00 0.00 N ATOM 521 CA LYS A 32 2.284 -5.991 -19.781 1.00 0.00 C ATOM 522 C LYS A 32 2.539 -4.622 -19.148 1.00 0.00 C ATOM 523 O LYS A 32 1.739 -4.147 -18.343 1.00 0.00 O ATOM 524 CB LYS A 32 2.036 -5.936 -21.289 1.00 0.00 C ATOM 525 CG LYS A 32 1.808 -7.337 -21.861 1.00 0.00 C ATOM 526 CD LYS A 32 0.422 -7.451 -22.496 1.00 0.00 C ATOM 527 CE LYS A 32 0.394 -8.557 -23.555 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.142 -9.811 -22.982 1.00 0.00 N ATOM 0 H LYS A 32 0.248 -6.281 -19.373 1.00 0.00 H new ATOM 0 HA LYS A 32 3.195 -6.576 -19.653 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.168 -5.310 -21.495 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.889 -5.472 -21.784 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.572 -7.558 -22.606 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.911 -8.078 -21.069 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.319 -7.662 -21.725 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.147 -6.500 -22.951 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.221 -8.244 -24.399 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.400 -8.727 -23.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.154 -10.550 -23.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.460 -10.117 -22.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.110 -9.649 -22.638 1.00 0.00 H new ATOM 542 N VAL A 33 3.657 -4.026 -19.536 1.00 0.00 N ATOM 543 CA VAL A 33 4.027 -2.720 -19.017 1.00 0.00 C ATOM 544 C VAL A 33 3.871 -1.674 -20.121 1.00 0.00 C ATOM 545 O VAL A 33 4.394 -1.845 -21.222 1.00 0.00 O ATOM 546 CB VAL A 33 5.443 -2.771 -18.437 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.814 -1.440 -17.779 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.590 -3.930 -17.449 1.00 0.00 C ATOM 0 H VAL A 33 4.318 -4.423 -20.203 1.00 0.00 H new ATOM 0 HA VAL A 33 3.365 -2.431 -18.201 1.00 0.00 H new ATOM 0 HB VAL A 33 6.136 -2.943 -19.261 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.824 -1.503 -17.375 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.769 -0.642 -18.521 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.113 -1.225 -16.972 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.605 -3.943 -17.052 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.882 -3.802 -16.630 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.388 -4.871 -17.960 1.00 0.00 H new ATOM 558 N TYR A 34 3.149 -0.614 -19.789 1.00 0.00 N ATOM 559 CA TYR A 34 2.917 0.460 -20.740 1.00 0.00 C ATOM 560 C TYR A 34 3.551 1.767 -20.257 1.00 0.00 C ATOM 561 O TYR A 34 3.695 1.983 -19.054 1.00 0.00 O ATOM 562 CB TYR A 34 1.400 0.639 -20.812 1.00 0.00 C ATOM 563 CG TYR A 34 0.634 -0.650 -21.111 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.659 -1.693 -20.207 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.080 -0.773 -22.285 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.061 -2.908 -20.488 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.800 -1.987 -22.567 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.756 -2.995 -21.654 1.00 0.00 C ATOM 569 OH TYR A 34 -1.436 -4.143 -21.920 1.00 0.00 O ATOM 0 H TYR A 34 2.717 -0.476 -18.875 1.00 0.00 H new ATOM 0 HA TYR A 34 3.356 0.217 -21.708 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.048 1.047 -19.865 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.168 1.374 -21.582 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.219 -1.598 -19.288 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.099 0.042 -22.993 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.049 -3.731 -19.789 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.362 -2.095 -23.483 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.572 -4.643 -21.088 1.00 0.00 H new ATOM 579 N ASP A 35 3.911 2.603 -21.218 1.00 0.00 N ATOM 580 CA ASP A 35 4.526 3.883 -20.906 1.00 0.00 C ATOM 581 C ASP A 35 3.435 4.944 -20.751 1.00 0.00 C ATOM 582 O ASP A 35 3.079 5.619 -21.715 1.00 0.00 O ATOM 583 CB ASP A 35 5.466 4.331 -22.026 1.00 0.00 C ATOM 584 CG ASP A 35 6.808 4.899 -21.559 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.775 5.740 -20.634 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.833 4.477 -22.134 1.00 0.00 O ATOM 0 H ASP A 35 3.789 2.420 -22.214 1.00 0.00 H new ATOM 0 HA ASP A 35 5.095 3.767 -19.984 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.657 3.481 -22.681 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.958 5.087 -22.625 1.00 0.00 H new ATOM 591 N LEU A 36 2.933 5.059 -19.530 1.00 0.00 N ATOM 592 CA LEU A 36 1.890 6.025 -19.236 1.00 0.00 C ATOM 593 C LEU A 36 2.346 7.414 -19.689 1.00 0.00 C ATOM 594 O LEU A 36 1.526 8.240 -20.088 1.00 0.00 O ATOM 595 CB LEU A 36 1.498 5.958 -17.759 1.00 0.00 C ATOM 596 CG LEU A 36 0.579 4.801 -17.361 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.042 5.044 -15.984 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.483 4.551 -18.433 1.00 0.00 C ATOM 0 H LEU A 36 3.231 4.498 -18.732 1.00 0.00 H new ATOM 0 HA LEU A 36 0.983 5.788 -19.793 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.409 5.893 -17.164 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.008 6.894 -17.491 1.00 0.00 H new ATOM 0 HG LEU A 36 1.181 3.895 -17.288 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.691 4.207 -15.725 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.749 5.135 -15.239 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.627 5.963 -16.006 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.123 3.724 -18.125 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.088 5.449 -18.563 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.004 4.302 -19.376 1.00 0.00 H new ATOM 610 N THR A 37 3.651 7.628 -19.613 1.00 0.00 N ATOM 611 CA THR A 37 4.226 8.901 -20.011 1.00 0.00 C ATOM 612 C THR A 37 3.792 9.261 -21.434 1.00 0.00 C ATOM 613 O THR A 37 3.590 10.433 -21.746 1.00 0.00 O ATOM 614 CB THR A 37 5.743 8.809 -19.844 1.00 0.00 C ATOM 615 OG1 THR A 37 6.003 9.517 -18.634 1.00 0.00 O ATOM 616 CG2 THR A 37 6.499 9.602 -20.910 1.00 0.00 C ATOM 0 H THR A 37 4.327 6.940 -19.281 1.00 0.00 H new ATOM 0 HA THR A 37 3.864 9.712 -19.379 1.00 0.00 H new ATOM 0 HB THR A 37 6.049 7.764 -19.885 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.238 10.445 -18.842 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.572 9.503 -20.745 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.247 9.216 -21.898 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.218 10.653 -20.849 1.00 0.00 H new ATOM 624 N LYS A 38 3.661 8.231 -22.256 1.00 0.00 N ATOM 625 CA LYS A 38 3.255 8.424 -23.638 1.00 0.00 C ATOM 626 C LYS A 38 1.760 8.748 -23.685 1.00 0.00 C ATOM 627 O LYS A 38 1.306 9.468 -24.573 1.00 0.00 O ATOM 628 CB LYS A 38 3.649 7.214 -24.486 1.00 0.00 C ATOM 629 CG LYS A 38 5.136 7.255 -24.843 1.00 0.00 C ATOM 630 CD LYS A 38 5.618 5.891 -25.339 1.00 0.00 C ATOM 631 CE LYS A 38 7.082 5.955 -25.785 1.00 0.00 C ATOM 632 NZ LYS A 38 7.802 4.728 -25.379 1.00 0.00 N ATOM 0 H LYS A 38 3.829 7.260 -21.992 1.00 0.00 H new ATOM 0 HA LYS A 38 3.780 9.274 -24.074 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.427 6.296 -23.941 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.053 7.195 -25.398 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.308 8.008 -25.613 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.715 7.554 -23.969 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.508 5.152 -24.546 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.995 5.561 -26.170 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.134 6.073 -26.867 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.564 6.829 -25.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.784 4.773 -25.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.798 4.650 -24.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.331 3.897 -25.791 1.00 0.00 H new ATOM 646 N PHE A 39 1.038 8.200 -22.720 1.00 0.00 N ATOM 647 CA PHE A 39 -0.396 8.421 -22.640 1.00 0.00 C ATOM 648 C PHE A 39 -0.770 9.132 -21.338 1.00 0.00 C ATOM 649 O PHE A 39 -1.778 8.804 -20.715 1.00 0.00 O ATOM 650 CB PHE A 39 -1.064 7.044 -22.666 1.00 0.00 C ATOM 651 CG PHE A 39 -2.592 7.094 -22.640 1.00 0.00 C ATOM 652 CD1 PHE A 39 -3.274 7.621 -23.694 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.270 6.612 -21.565 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.694 7.666 -23.669 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.690 6.658 -21.540 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.371 7.183 -22.594 1.00 0.00 C ATOM 0 H PHE A 39 1.419 7.603 -21.986 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.722 9.047 -23.471 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.743 6.513 -23.562 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.715 6.466 -21.810 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.736 8.005 -24.548 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.729 6.194 -20.729 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.236 8.084 -24.505 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.228 6.276 -20.685 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.450 7.216 -22.577 1.00 0.00 H new ATOM 666 N LEU A 40 0.064 10.092 -20.965 1.00 0.00 N ATOM 667 CA LEU A 40 -0.166 10.851 -19.748 1.00 0.00 C ATOM 668 C LEU A 40 -1.074 12.043 -20.060 1.00 0.00 C ATOM 669 O LEU A 40 -2.131 12.199 -19.450 1.00 0.00 O ATOM 670 CB LEU A 40 1.164 11.245 -19.101 1.00 0.00 C ATOM 671 CG LEU A 40 1.208 11.192 -17.573 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.612 9.801 -17.084 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.122 12.284 -17.013 1.00 0.00 C ATOM 0 H LEU A 40 0.900 10.361 -21.484 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.684 10.238 -19.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.943 10.589 -19.490 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.413 12.258 -19.417 1.00 0.00 H new ATOM 0 HG LEU A 40 0.204 11.387 -17.196 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.636 9.791 -15.994 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.889 9.067 -17.438 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.600 9.552 -17.470 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.136 12.224 -15.925 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.133 12.145 -17.397 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.750 13.262 -17.318 1.00 0.00 H new ATOM 685 N GLU A 41 -0.629 12.853 -21.009 1.00 0.00 N ATOM 686 CA GLU A 41 -1.387 14.027 -21.409 1.00 0.00 C ATOM 687 C GLU A 41 -2.845 13.648 -21.681 1.00 0.00 C ATOM 688 O GLU A 41 -3.759 14.400 -21.343 1.00 0.00 O ATOM 689 CB GLU A 41 -0.758 14.696 -22.633 1.00 0.00 C ATOM 690 CG GLU A 41 -0.694 13.727 -23.815 1.00 0.00 C ATOM 691 CD GLU A 41 0.088 14.337 -24.980 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.167 14.904 -24.706 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.412 14.222 -26.121 1.00 0.00 O ATOM 0 H GLU A 41 0.248 12.720 -21.513 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.364 14.747 -20.591 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.339 15.575 -22.910 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.246 15.042 -22.387 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.221 12.796 -23.502 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.704 13.477 -24.141 1.00 0.00 H new ATOM 700 N GLU A 42 -3.018 12.483 -22.288 1.00 0.00 N ATOM 701 CA GLU A 42 -4.348 11.996 -22.609 1.00 0.00 C ATOM 702 C GLU A 42 -5.039 11.471 -21.349 1.00 0.00 C ATOM 703 O GLU A 42 -4.498 11.579 -20.249 1.00 0.00 O ATOM 704 CB GLU A 42 -4.292 10.919 -23.694 1.00 0.00 C ATOM 705 CG GLU A 42 -5.137 11.314 -24.905 1.00 0.00 C ATOM 706 CD GLU A 42 -4.725 10.517 -26.145 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.795 10.983 -26.838 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.351 9.459 -26.371 1.00 0.00 O ATOM 0 H GLU A 42 -2.258 11.862 -22.566 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.933 12.828 -23.001 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.258 10.763 -24.003 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.650 9.972 -23.290 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.191 11.139 -24.690 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.024 12.380 -25.100 1.00 0.00 H new ATOM 715 N HIS A 43 -6.224 10.913 -21.551 1.00 0.00 N ATOM 716 CA HIS A 43 -6.994 10.371 -20.445 1.00 0.00 C ATOM 717 C HIS A 43 -7.924 11.449 -19.889 1.00 0.00 C ATOM 718 O HIS A 43 -7.476 12.541 -19.539 1.00 0.00 O ATOM 719 CB HIS A 43 -6.071 9.776 -19.379 1.00 0.00 C ATOM 720 CG HIS A 43 -6.743 8.770 -18.477 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.747 9.113 -17.590 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.543 7.428 -18.333 1.00 0.00 C ATOM 723 CE1 HIS A 43 -8.128 8.019 -16.947 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.381 6.976 -17.407 1.00 0.00 N ATOM 0 H HIS A 43 -6.669 10.825 -22.464 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.618 9.551 -20.800 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.224 9.298 -19.872 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.669 10.585 -18.768 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.129 10.049 -17.454 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.825 6.834 -18.879 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.897 7.963 -16.190 1.00 0.00 H new ATOM 733 N PRO A 44 -9.236 11.100 -19.822 1.00 0.00 N ATOM 734 CA PRO A 44 -10.233 12.027 -19.313 1.00 0.00 C ATOM 735 C PRO A 44 -10.150 12.141 -17.790 1.00 0.00 C ATOM 736 O PRO A 44 -10.813 11.394 -17.071 1.00 0.00 O ATOM 737 CB PRO A 44 -11.564 11.476 -19.796 1.00 0.00 C ATOM 738 CG PRO A 44 -11.309 10.021 -20.157 1.00 0.00 C ATOM 739 CD PRO A 44 -9.803 9.816 -20.226 1.00 0.00 C ATOM 0 HA PRO A 44 -10.084 13.045 -19.673 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.325 11.558 -19.020 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.927 12.034 -20.659 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.751 9.359 -19.412 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.772 9.778 -21.113 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.481 9.014 -19.561 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.486 9.542 -21.232 1.00 0.00 H new ATOM 747 N GLY A 45 -9.330 13.080 -17.342 1.00 0.00 N ATOM 748 CA GLY A 45 -9.151 13.301 -15.917 1.00 0.00 C ATOM 749 C GLY A 45 -7.886 14.116 -15.643 1.00 0.00 C ATOM 750 O GLY A 45 -7.964 15.298 -15.315 1.00 0.00 O ATOM 0 H GLY A 45 -8.782 13.697 -17.941 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.019 13.824 -15.515 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.089 12.342 -15.402 1.00 0.00 H new ATOM 754 N GLY A 46 -6.749 13.450 -15.788 1.00 0.00 N ATOM 755 CA GLY A 46 -5.468 14.097 -15.560 1.00 0.00 C ATOM 756 C GLY A 46 -4.329 13.076 -15.570 1.00 0.00 C ATOM 757 O GLY A 46 -4.513 11.930 -15.167 1.00 0.00 O ATOM 0 H GLY A 46 -6.689 12.469 -16.061 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.294 14.849 -16.330 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.485 14.619 -14.603 1.00 0.00 H new ATOM 761 N GLU A 47 -3.175 13.530 -16.037 1.00 0.00 N ATOM 762 CA GLU A 47 -2.004 12.671 -16.105 1.00 0.00 C ATOM 763 C GLU A 47 -1.915 11.797 -14.854 1.00 0.00 C ATOM 764 O GLU A 47 -1.530 10.631 -14.932 1.00 0.00 O ATOM 765 CB GLU A 47 -0.729 13.496 -16.291 1.00 0.00 C ATOM 766 CG GLU A 47 -0.548 13.901 -17.756 1.00 0.00 C ATOM 767 CD GLU A 47 0.186 15.241 -17.866 1.00 0.00 C ATOM 768 OE1 GLU A 47 1.056 15.483 -17.002 1.00 0.00 O ATOM 769 OE2 GLU A 47 -0.141 15.989 -18.812 1.00 0.00 O ATOM 0 H GLU A 47 -3.026 14.482 -16.372 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.105 12.019 -16.973 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.774 14.388 -15.666 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.134 12.918 -15.960 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.013 13.130 -18.284 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.522 13.974 -18.240 1.00 0.00 H new ATOM 776 N GLU A 48 -2.275 12.393 -13.727 1.00 0.00 N ATOM 777 CA GLU A 48 -2.240 11.684 -12.460 1.00 0.00 C ATOM 778 C GLU A 48 -2.935 10.326 -12.592 1.00 0.00 C ATOM 779 O GLU A 48 -2.377 9.300 -12.206 1.00 0.00 O ATOM 780 CB GLU A 48 -2.875 12.518 -11.345 1.00 0.00 C ATOM 781 CG GLU A 48 -2.022 12.478 -10.077 1.00 0.00 C ATOM 782 CD GLU A 48 -2.681 13.274 -8.948 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.528 12.675 -8.250 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.322 14.463 -8.809 1.00 0.00 O ATOM 0 H GLU A 48 -2.593 13.360 -13.665 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.197 11.513 -12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.990 13.550 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.874 12.140 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.879 11.444 -9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.033 12.887 -10.286 1.00 0.00 H new ATOM 791 N VAL A 49 -4.141 10.365 -13.139 1.00 0.00 N ATOM 792 CA VAL A 49 -4.916 9.151 -13.327 1.00 0.00 C ATOM 793 C VAL A 49 -3.987 8.020 -13.769 1.00 0.00 C ATOM 794 O VAL A 49 -4.261 6.849 -13.510 1.00 0.00 O ATOM 795 CB VAL A 49 -6.058 9.408 -14.313 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.519 9.647 -15.725 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.064 8.255 -14.300 1.00 0.00 C ATOM 0 H VAL A 49 -4.600 11.218 -13.458 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.377 8.843 -12.389 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.578 10.311 -13.994 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.351 9.827 -16.406 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.859 10.515 -15.721 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.963 8.770 -16.055 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.865 8.463 -15.009 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.561 7.330 -14.582 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.484 8.150 -13.300 1.00 0.00 H new ATOM 807 N LEU A 50 -2.907 8.409 -14.430 1.00 0.00 N ATOM 808 CA LEU A 50 -1.935 7.442 -14.911 1.00 0.00 C ATOM 809 C LEU A 50 -0.699 7.476 -14.010 1.00 0.00 C ATOM 810 O LEU A 50 -0.129 6.433 -13.693 1.00 0.00 O ATOM 811 CB LEU A 50 -1.624 7.684 -16.390 1.00 0.00 C ATOM 812 CG LEU A 50 -2.834 7.815 -17.316 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.027 9.265 -17.766 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.722 6.856 -18.503 1.00 0.00 C ATOM 0 H LEU A 50 -2.683 9.381 -14.644 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.343 6.433 -14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.029 8.593 -16.472 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.003 6.863 -16.749 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.725 7.531 -16.756 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.894 9.330 -18.423 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.185 9.899 -16.893 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.139 9.601 -18.302 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.595 6.969 -19.146 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.821 7.085 -19.072 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.671 5.830 -18.138 1.00 0.00 H new ATOM 826 N ARG A 51 -0.321 8.686 -13.622 1.00 0.00 N ATOM 827 CA ARG A 51 0.836 8.870 -12.764 1.00 0.00 C ATOM 828 C ARG A 51 0.580 8.252 -11.387 1.00 0.00 C ATOM 829 O ARG A 51 1.432 7.546 -10.850 1.00 0.00 O ATOM 830 CB ARG A 51 1.166 10.354 -12.595 1.00 0.00 C ATOM 831 CG ARG A 51 2.677 10.590 -12.660 1.00 0.00 C ATOM 832 CD ARG A 51 3.181 11.266 -11.382 1.00 0.00 C ATOM 833 NE ARG A 51 2.758 12.683 -11.358 1.00 0.00 N ATOM 834 CZ ARG A 51 2.949 13.508 -10.319 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.557 13.059 -9.212 1.00 0.00 N ATOM 836 NH2 ARG A 51 2.532 14.779 -10.386 1.00 0.00 N ATOM 0 H ARG A 51 -0.797 9.549 -13.887 1.00 0.00 H new ATOM 0 HA ARG A 51 1.682 8.373 -13.238 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.670 10.932 -13.375 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.779 10.710 -11.640 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.192 9.639 -12.800 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.915 11.212 -13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.790 10.746 -10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.268 11.202 -11.331 1.00 0.00 H new ATOM 0 HE ARG A 51 2.291 13.056 -12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.874 12.091 -9.161 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.703 13.686 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.069 15.120 -11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.678 15.406 -9.595 1.00 0.00 H new ATOM 850 N GLU A 52 -0.598 8.541 -10.855 1.00 0.00 N ATOM 851 CA GLU A 52 -0.978 8.022 -9.552 1.00 0.00 C ATOM 852 C GLU A 52 -0.945 6.493 -9.558 1.00 0.00 C ATOM 853 O GLU A 52 -0.865 5.865 -8.503 1.00 0.00 O ATOM 854 CB GLU A 52 -2.357 8.539 -9.136 1.00 0.00 C ATOM 855 CG GLU A 52 -2.246 9.515 -7.962 1.00 0.00 C ATOM 856 CD GLU A 52 -2.165 8.764 -6.631 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.247 8.493 -6.066 1.00 0.00 O ATOM 858 OE2 GLU A 52 -1.024 8.478 -6.208 1.00 0.00 O ATOM 0 H GLU A 52 -1.302 9.128 -11.302 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.256 8.378 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.834 9.035 -9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.995 7.700 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.361 10.139 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.108 10.182 -7.956 1.00 0.00 H new ATOM 865 N GLN A 53 -1.009 5.936 -10.759 1.00 0.00 N ATOM 866 CA GLN A 53 -0.988 4.492 -10.917 1.00 0.00 C ATOM 867 C GLN A 53 0.409 4.025 -11.330 1.00 0.00 C ATOM 868 O GLN A 53 0.789 2.885 -11.066 1.00 0.00 O ATOM 869 CB GLN A 53 -2.041 4.036 -11.929 1.00 0.00 C ATOM 870 CG GLN A 53 -1.773 4.642 -13.309 1.00 0.00 C ATOM 871 CD GLN A 53 -2.724 4.059 -14.356 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.425 3.091 -15.036 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.886 4.702 -14.449 1.00 0.00 N ATOM 0 H GLN A 53 -1.075 6.459 -11.632 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.233 4.036 -9.958 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.037 2.948 -11.998 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.033 4.330 -11.585 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.894 5.724 -13.265 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.741 4.448 -13.601 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.073 5.506 -13.850 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.589 4.391 -15.119 1.00 0.00 H new ATOM 882 N ALA A 54 1.136 4.928 -11.972 1.00 0.00 N ATOM 883 CA ALA A 54 2.482 4.622 -12.423 1.00 0.00 C ATOM 884 C ALA A 54 3.315 4.132 -11.237 1.00 0.00 C ATOM 885 O ALA A 54 3.356 4.782 -10.192 1.00 0.00 O ATOM 886 CB ALA A 54 3.089 5.856 -13.092 1.00 0.00 C ATOM 0 H ALA A 54 0.817 5.872 -12.190 1.00 0.00 H new ATOM 0 HA ALA A 54 2.465 3.824 -13.165 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.099 5.626 -13.431 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.477 6.145 -13.946 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.124 6.678 -12.377 1.00 0.00 H new ATOM 892 N GLY A 55 3.958 2.991 -11.436 1.00 0.00 N ATOM 893 CA GLY A 55 4.787 2.406 -10.396 1.00 0.00 C ATOM 894 C GLY A 55 4.211 1.072 -9.922 1.00 0.00 C ATOM 895 O GLY A 55 4.493 0.629 -8.809 1.00 0.00 O ATOM 0 H GLY A 55 3.922 2.455 -12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.798 2.256 -10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.860 3.094 -9.554 1.00 0.00 H new ATOM 899 N GLY A 56 3.415 0.464 -10.790 1.00 0.00 N ATOM 900 CA GLY A 56 2.797 -0.812 -10.473 1.00 0.00 C ATOM 901 C GLY A 56 1.650 -1.119 -11.437 1.00 0.00 C ATOM 902 O GLY A 56 1.347 -0.321 -12.322 1.00 0.00 O ATOM 0 H GLY A 56 3.184 0.832 -11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.543 -1.605 -10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.422 -0.794 -9.450 1.00 0.00 H new ATOM 906 N ASP A 57 1.043 -2.280 -11.233 1.00 0.00 N ATOM 907 CA ASP A 57 -0.064 -2.702 -12.073 1.00 0.00 C ATOM 908 C ASP A 57 -1.260 -1.777 -11.840 1.00 0.00 C ATOM 909 O ASP A 57 -1.710 -1.613 -10.707 1.00 0.00 O ATOM 910 CB ASP A 57 -0.498 -4.130 -11.734 1.00 0.00 C ATOM 911 CG ASP A 57 -2.010 -4.370 -11.762 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.686 -3.840 -10.854 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.455 -5.078 -12.692 1.00 0.00 O ATOM 0 H ASP A 57 1.297 -2.940 -10.498 1.00 0.00 H new ATOM 0 HA ASP A 57 0.266 -2.661 -13.111 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.023 -4.815 -12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.124 -4.382 -10.742 1.00 0.00 H new ATOM 918 N ALA A 58 -1.738 -1.195 -12.930 1.00 0.00 N ATOM 919 CA ALA A 58 -2.872 -0.290 -12.858 1.00 0.00 C ATOM 920 C ALA A 58 -4.136 -1.025 -13.308 1.00 0.00 C ATOM 921 O ALA A 58 -5.248 -0.604 -12.993 1.00 0.00 O ATOM 922 CB ALA A 58 -2.588 0.953 -13.704 1.00 0.00 C ATOM 0 H ALA A 58 -1.361 -1.333 -13.868 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.032 0.043 -11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.439 1.632 -13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.698 1.456 -13.325 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.424 0.658 -14.741 1.00 0.00 H new ATOM 928 N THR A 59 -3.923 -2.109 -14.037 1.00 0.00 N ATOM 929 CA THR A 59 -5.031 -2.907 -14.534 1.00 0.00 C ATOM 930 C THR A 59 -6.059 -3.140 -13.426 1.00 0.00 C ATOM 931 O THR A 59 -7.260 -2.996 -13.648 1.00 0.00 O ATOM 932 CB THR A 59 -4.459 -4.203 -15.114 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.117 -4.341 -16.370 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.894 -5.440 -14.327 1.00 0.00 C ATOM 0 H THR A 59 -2.999 -2.454 -14.296 1.00 0.00 H new ATOM 0 HA THR A 59 -5.567 -2.387 -15.328 1.00 0.00 H new ATOM 0 HB THR A 59 -3.371 -4.146 -15.126 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.912 -3.768 -16.387 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.460 -6.331 -14.781 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.551 -5.354 -13.296 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.981 -5.517 -14.342 1.00 0.00 H new ATOM 942 N GLU A 60 -5.550 -3.496 -12.255 1.00 0.00 N ATOM 943 CA GLU A 60 -6.409 -3.751 -11.111 1.00 0.00 C ATOM 944 C GLU A 60 -7.451 -2.639 -10.973 1.00 0.00 C ATOM 945 O GLU A 60 -8.611 -2.906 -10.661 1.00 0.00 O ATOM 946 CB GLU A 60 -5.588 -3.894 -9.829 1.00 0.00 C ATOM 947 CG GLU A 60 -4.771 -2.628 -9.557 1.00 0.00 C ATOM 948 CD GLU A 60 -5.482 -1.724 -8.548 1.00 0.00 C ATOM 949 OE1 GLU A 60 -6.728 -1.656 -8.625 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.764 -1.123 -7.721 1.00 0.00 O ATOM 0 H GLU A 60 -4.553 -3.614 -12.074 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.930 -4.694 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.252 -4.090 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.920 -4.751 -9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.787 -2.901 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.613 -2.085 -10.489 1.00 0.00 H new ATOM 957 N ASN A 61 -7.002 -1.417 -11.212 1.00 0.00 N ATOM 958 CA ASN A 61 -7.881 -0.264 -11.119 1.00 0.00 C ATOM 959 C ASN A 61 -8.545 -0.023 -12.476 1.00 0.00 C ATOM 960 O ASN A 61 -9.765 0.102 -12.560 1.00 0.00 O ATOM 961 CB ASN A 61 -7.099 0.996 -10.743 1.00 0.00 C ATOM 962 CG ASN A 61 -7.736 1.700 -9.544 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.868 2.152 -9.586 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.947 1.768 -8.474 1.00 0.00 N ATOM 0 H ASN A 61 -6.040 -1.199 -11.470 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.625 -0.469 -10.349 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.068 0.732 -10.508 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.068 1.676 -11.594 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.281 2.219 -7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.009 1.369 -8.506 1.00 0.00 H new ATOM 971 N PHE A 62 -7.711 0.037 -13.503 1.00 0.00 N ATOM 972 CA PHE A 62 -8.202 0.261 -14.852 1.00 0.00 C ATOM 973 C PHE A 62 -9.357 -0.688 -15.182 1.00 0.00 C ATOM 974 O PHE A 62 -10.158 -0.411 -16.072 1.00 0.00 O ATOM 975 CB PHE A 62 -7.038 -0.022 -15.805 1.00 0.00 C ATOM 976 CG PHE A 62 -7.427 -0.841 -17.038 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.579 -2.189 -16.937 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.622 -0.221 -18.232 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.940 -2.949 -18.081 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.982 -0.983 -19.376 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.134 -2.330 -19.277 1.00 0.00 C ATOM 0 H PHE A 62 -6.699 -0.066 -13.429 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.568 1.283 -14.948 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.611 0.926 -16.131 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.257 -0.553 -15.261 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.425 -2.681 -15.988 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.503 0.850 -18.311 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.061 -4.019 -18.002 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.135 -0.491 -20.325 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.408 -2.908 -20.147 1.00 0.00 H new ATOM 991 N GLU A 63 -9.403 -1.788 -14.445 1.00 0.00 N ATOM 992 CA GLU A 63 -10.446 -2.780 -14.646 1.00 0.00 C ATOM 993 C GLU A 63 -11.697 -2.406 -13.848 1.00 0.00 C ATOM 994 O GLU A 63 -12.818 -2.621 -14.306 1.00 0.00 O ATOM 995 CB GLU A 63 -9.954 -4.179 -14.270 1.00 0.00 C ATOM 996 CG GLU A 63 -9.418 -4.920 -15.497 1.00 0.00 C ATOM 997 CD GLU A 63 -10.320 -6.103 -15.859 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.898 -6.684 -14.915 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.407 -6.399 -17.068 1.00 0.00 O ATOM 0 H GLU A 63 -8.735 -2.014 -13.708 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.705 -2.795 -15.705 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.171 -4.102 -13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.770 -4.748 -13.825 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.355 -4.234 -16.342 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.407 -5.276 -15.299 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.462 -1.852 -12.668 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.555 -1.446 -11.801 1.00 0.00 C ATOM 1008 C ASP A 64 -13.305 -0.279 -12.446 1.00 0.00 C ATOM 1009 O ASP A 64 -14.470 -0.037 -12.136 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.035 -0.979 -10.439 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.851 -1.456 -9.237 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.083 -1.242 -9.267 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.225 -2.023 -8.316 1.00 0.00 O ATOM 0 H ASP A 64 -10.531 -1.675 -12.292 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.211 -2.305 -11.661 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.008 -1.324 -10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.008 0.111 -10.431 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.605 0.416 -13.332 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.190 1.553 -14.023 1.00 0.00 C ATOM 1020 C VAL A 65 -13.707 1.101 -15.391 1.00 0.00 C ATOM 1021 O VAL A 65 -14.133 1.924 -16.200 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.172 2.690 -14.115 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.863 2.312 -13.417 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.922 3.087 -15.571 1.00 0.00 C ATOM 0 H VAL A 65 -11.638 0.213 -13.587 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.042 1.942 -13.465 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.589 3.555 -13.599 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.156 3.138 -13.497 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.059 2.103 -12.365 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.441 1.426 -13.891 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.194 3.898 -15.607 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.537 2.229 -16.121 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.857 3.418 -16.023 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.652 -0.205 -15.607 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.109 -0.776 -16.863 1.00 0.00 C ATOM 1036 C GLY A 66 -13.769 0.142 -18.037 1.00 0.00 C ATOM 1037 O GLY A 66 -14.584 0.971 -18.441 1.00 0.00 O ATOM 0 H GLY A 66 -13.298 -0.884 -14.933 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.646 -1.751 -17.013 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.186 -0.937 -16.823 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.562 -0.036 -18.556 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.103 0.765 -19.678 1.00 0.00 C ATOM 1043 C HIS A 67 -12.731 0.246 -20.972 1.00 0.00 C ATOM 1044 O HIS A 67 -13.510 -0.708 -20.950 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.575 0.799 -19.733 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.950 1.812 -18.804 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.973 1.680 -17.427 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.282 2.971 -19.070 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -9.347 2.721 -16.897 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.919 3.519 -17.916 1.00 0.00 N ATOM 0 H HIS A 67 -11.888 -0.724 -18.220 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.427 1.797 -19.547 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.191 -0.191 -19.486 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.263 1.017 -20.754 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.399 0.912 -16.908 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.082 3.374 -20.052 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.201 2.905 -15.843 1.00 0.00 H new ATOM 1059 N SER A 68 -12.370 0.893 -22.071 1.00 0.00 N ATOM 1060 CA SER A 68 -12.889 0.508 -23.372 1.00 0.00 C ATOM 1061 C SER A 68 -11.811 -0.232 -24.167 1.00 0.00 C ATOM 1062 O SER A 68 -10.620 -0.013 -23.956 1.00 0.00 O ATOM 1063 CB SER A 68 -13.382 1.728 -24.152 1.00 0.00 C ATOM 1064 OG SER A 68 -12.329 2.358 -24.877 1.00 0.00 O ATOM 0 H SER A 68 -11.724 1.682 -22.087 1.00 0.00 H new ATOM 0 HA SER A 68 -13.739 -0.157 -23.218 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.167 1.423 -24.844 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.826 2.445 -23.461 1.00 0.00 H new ATOM 0 HG SER A 68 -11.749 2.844 -24.255 1.00 0.00 H new ATOM 1070 N THR A 69 -12.269 -1.094 -25.064 1.00 0.00 N ATOM 1071 CA THR A 69 -11.358 -1.866 -25.892 1.00 0.00 C ATOM 1072 C THR A 69 -10.399 -0.937 -26.639 1.00 0.00 C ATOM 1073 O THR A 69 -9.306 -1.349 -27.026 1.00 0.00 O ATOM 1074 CB THR A 69 -12.195 -2.748 -26.819 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.476 -3.906 -26.036 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.389 -3.286 -28.002 1.00 0.00 C ATOM 0 H THR A 69 -13.258 -1.274 -25.235 1.00 0.00 H new ATOM 0 HA THR A 69 -10.726 -2.515 -25.286 1.00 0.00 H new ATOM 0 HB THR A 69 -13.047 -2.178 -27.190 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.018 -4.532 -26.561 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.031 -3.906 -28.628 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.005 -2.452 -28.590 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.556 -3.884 -27.633 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.843 0.298 -26.820 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.036 1.288 -27.515 1.00 0.00 C ATOM 1086 C ASP A 70 -8.882 1.724 -26.611 1.00 0.00 C ATOM 1087 O ASP A 70 -7.730 1.757 -27.042 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.864 2.529 -27.857 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.136 3.579 -28.698 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.353 4.346 -28.096 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.376 3.592 -29.924 1.00 0.00 O ATOM 0 H ASP A 70 -11.750 0.636 -26.498 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.665 0.836 -28.435 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.760 2.214 -28.392 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.195 2.994 -26.928 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.231 2.048 -25.375 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.237 2.481 -24.407 1.00 0.00 C ATOM 1098 C ALA A 71 -7.142 1.417 -24.296 1.00 0.00 C ATOM 1099 O ALA A 71 -5.955 1.735 -24.354 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.918 2.758 -23.065 1.00 0.00 C ATOM 0 H ALA A 71 -10.187 2.020 -25.021 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.765 3.408 -24.731 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.173 3.083 -22.339 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.666 3.540 -23.191 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.401 1.849 -22.707 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.579 0.178 -24.136 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.652 -0.934 -24.017 1.00 0.00 C ATOM 1108 C ARG A 72 -5.779 -1.035 -25.270 1.00 0.00 C ATOM 1109 O ARG A 72 -4.571 -1.251 -25.174 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.398 -2.254 -23.818 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.453 -2.128 -22.717 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.209 -3.445 -22.527 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.221 -4.209 -23.795 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.252 -5.057 -24.169 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -7.190 -5.253 -23.377 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -8.346 -5.706 -25.337 1.00 0.00 N ATOM 0 H ARG A 72 -8.564 -0.081 -24.086 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.024 -0.749 -23.146 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.876 -2.550 -24.752 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.689 -3.041 -23.559 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.974 -1.841 -21.781 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.156 -1.335 -22.971 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.737 -4.035 -21.742 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.231 -3.244 -22.204 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.015 -4.083 -24.423 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.118 -4.757 -22.489 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.453 -5.898 -23.662 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.154 -5.555 -25.941 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.610 -6.351 -25.623 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.423 -0.870 -26.417 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.719 -0.940 -27.686 1.00 0.00 C ATOM 1132 C GLU A 73 -4.653 0.156 -27.763 1.00 0.00 C ATOM 1133 O GLU A 73 -3.497 -0.120 -28.078 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.696 -0.837 -28.859 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.460 -1.962 -29.868 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.787 -2.540 -30.365 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.619 -1.732 -30.829 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.938 -3.777 -30.269 1.00 0.00 O ATOM 0 H GLU A 73 -7.424 -0.688 -26.493 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.222 -1.908 -27.752 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.720 -0.884 -28.489 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.579 0.128 -29.351 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.885 -1.583 -30.713 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.866 -2.751 -29.406 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.081 1.375 -27.468 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.177 2.512 -27.499 1.00 0.00 C ATOM 1147 C LEU A 74 -2.951 2.207 -26.639 1.00 0.00 C ATOM 1148 O LEU A 74 -1.832 2.582 -26.990 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.912 3.791 -27.093 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.582 4.341 -25.704 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.564 5.480 -25.792 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.853 4.765 -24.966 1.00 0.00 C ATOM 0 H LEU A 74 -6.041 1.600 -27.207 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.818 2.687 -28.513 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.691 4.563 -27.830 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.984 3.601 -27.142 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.122 3.543 -25.122 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.347 5.853 -24.791 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.645 5.112 -26.249 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.973 6.288 -26.399 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.590 5.152 -23.982 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.363 5.541 -25.537 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.512 3.904 -24.853 1.00 0.00 H new ATOM 1164 N SER A 75 -3.200 1.531 -25.527 1.00 0.00 N ATOM 1165 CA SER A 75 -2.129 1.172 -24.613 1.00 0.00 C ATOM 1166 C SER A 75 -1.183 0.173 -25.282 1.00 0.00 C ATOM 1167 O SER A 75 0.032 0.243 -25.098 1.00 0.00 O ATOM 1168 CB SER A 75 -2.687 0.584 -23.314 1.00 0.00 C ATOM 1169 OG SER A 75 -4.095 0.780 -23.203 1.00 0.00 O ATOM 0 H SER A 75 -4.128 1.222 -25.238 1.00 0.00 H new ATOM 0 HA SER A 75 -1.575 2.077 -24.363 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.465 -0.482 -23.273 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.188 1.046 -22.462 1.00 0.00 H new ATOM 0 HG SER A 75 -4.337 1.645 -23.596 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.774 -0.736 -26.045 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.999 -1.746 -26.742 1.00 0.00 C ATOM 1177 C LYS A 76 -0.005 -1.063 -27.681 1.00 0.00 C ATOM 1178 O LYS A 76 0.972 -1.677 -28.111 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.926 -2.741 -27.447 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.925 -2.513 -28.960 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.826 -3.528 -29.667 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.512 -3.590 -31.163 1.00 0.00 C ATOM 1183 NZ LYS A 76 -1.618 -4.733 -31.457 1.00 0.00 N ATOM 0 H LYS A 76 -2.781 -0.793 -26.195 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.416 -2.334 -26.033 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.605 -3.760 -27.229 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.940 -2.636 -27.060 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.268 -1.502 -29.179 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.908 -2.595 -29.343 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.689 -4.513 -29.222 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.871 -3.255 -29.522 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.437 -3.688 -31.731 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.040 -2.660 -31.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.414 -4.761 -32.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.729 -4.623 -30.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.082 -5.619 -31.172 1.00 0.00 H new ATOM 1197 N THR A 77 -0.284 0.199 -27.972 1.00 0.00 N ATOM 1198 CA THR A 77 0.575 0.973 -28.851 1.00 0.00 C ATOM 1199 C THR A 77 1.657 1.692 -28.043 1.00 0.00 C ATOM 1200 O THR A 77 2.671 2.114 -28.597 1.00 0.00 O ATOM 1201 CB THR A 77 -0.310 1.923 -29.661 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.429 3.077 -28.834 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.746 1.412 -29.796 1.00 0.00 C ATOM 0 H THR A 77 -1.094 0.705 -27.614 1.00 0.00 H new ATOM 0 HA THR A 77 1.109 0.328 -29.549 1.00 0.00 H new ATOM 0 HB THR A 77 0.121 2.063 -30.652 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.269 3.034 -28.331 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.332 2.123 -30.379 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.742 0.445 -30.299 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.188 1.304 -28.806 1.00 0.00 H new ATOM 1211 N PHE A 78 1.405 1.808 -26.748 1.00 0.00 N ATOM 1212 CA PHE A 78 2.345 2.468 -25.859 1.00 0.00 C ATOM 1213 C PHE A 78 3.112 1.447 -25.017 1.00 0.00 C ATOM 1214 O PHE A 78 3.981 1.816 -24.227 1.00 0.00 O ATOM 1215 CB PHE A 78 1.525 3.365 -24.929 1.00 0.00 C ATOM 1216 CG PHE A 78 1.075 4.680 -25.569 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.920 5.362 -26.390 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.170 5.168 -25.319 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.502 6.581 -26.984 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.587 6.388 -25.914 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.256 7.068 -26.735 1.00 0.00 C ATOM 0 H PHE A 78 0.563 1.456 -26.293 1.00 0.00 H new ATOM 0 HA PHE A 78 3.070 3.038 -26.440 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.645 2.816 -24.595 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.117 3.589 -24.042 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.909 4.975 -26.589 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.841 4.628 -24.668 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.173 7.123 -27.634 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.575 6.776 -25.714 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.063 7.994 -27.190 1.00 0.00 H new ATOM 1231 N ILE A 79 2.765 0.185 -25.214 1.00 0.00 N ATOM 1232 CA ILE A 79 3.410 -0.892 -24.483 1.00 0.00 C ATOM 1233 C ILE A 79 4.922 -0.821 -24.709 1.00 0.00 C ATOM 1234 O ILE A 79 5.380 -0.762 -25.849 1.00 0.00 O ATOM 1235 CB ILE A 79 2.796 -2.240 -24.861 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.609 -2.575 -23.954 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.851 -3.348 -24.853 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.374 -4.086 -23.893 1.00 0.00 C ATOM 0 H ILE A 79 2.045 -0.117 -25.870 1.00 0.00 H new ATOM 0 HA ILE A 79 3.240 -0.780 -23.412 1.00 0.00 H new ATOM 0 HB ILE A 79 2.415 -2.166 -25.880 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.794 -2.191 -22.951 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.712 -2.079 -24.325 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.386 -4.295 -25.126 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.635 -3.109 -25.571 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.285 -3.430 -23.856 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.525 -4.296 -23.242 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.165 -4.462 -24.894 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.264 -4.577 -23.499 1.00 0.00 H new ATOM 1250 N ILE A 80 5.655 -0.832 -23.605 1.00 0.00 N ATOM 1251 CA ILE A 80 7.106 -0.770 -23.668 1.00 0.00 C ATOM 1252 C ILE A 80 7.684 -2.151 -23.356 1.00 0.00 C ATOM 1253 O ILE A 80 8.720 -2.532 -23.902 1.00 0.00 O ATOM 1254 CB ILE A 80 7.634 0.340 -22.758 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.755 0.496 -21.516 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.782 1.655 -23.526 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.422 1.405 -20.483 1.00 0.00 C ATOM 0 H ILE A 80 5.271 -0.883 -22.661 1.00 0.00 H new ATOM 0 HA ILE A 80 7.434 -0.507 -24.674 1.00 0.00 H new ATOM 0 HB ILE A 80 8.628 0.055 -22.414 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.788 0.911 -21.800 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.565 -0.483 -21.075 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.159 2.427 -22.856 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.481 1.518 -24.351 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.812 1.958 -23.919 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.776 1.499 -19.610 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.377 0.975 -20.183 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.589 2.390 -20.919 1.00 0.00 H new ATOM 1269 N GLY A 81 6.992 -2.863 -22.479 1.00 0.00 N ATOM 1270 CA GLY A 81 7.425 -4.192 -22.087 1.00 0.00 C ATOM 1271 C GLY A 81 6.303 -4.946 -21.370 1.00 0.00 C ATOM 1272 O GLY A 81 5.125 -4.716 -21.639 1.00 0.00 O ATOM 0 H GLY A 81 6.134 -2.544 -22.029 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.738 -4.751 -22.969 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.293 -4.117 -21.433 1.00 0.00 H new ATOM 1276 N GLU A 82 6.707 -5.831 -20.470 1.00 0.00 N ATOM 1277 CA GLU A 82 5.750 -6.619 -19.713 1.00 0.00 C ATOM 1278 C GLU A 82 6.348 -7.027 -18.365 1.00 0.00 C ATOM 1279 O GLU A 82 7.566 -7.029 -18.196 1.00 0.00 O ATOM 1280 CB GLU A 82 5.300 -7.846 -20.507 1.00 0.00 C ATOM 1281 CG GLU A 82 5.308 -7.560 -22.010 1.00 0.00 C ATOM 1282 CD GLU A 82 4.939 -8.813 -22.808 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.246 -9.674 -22.225 1.00 0.00 O ATOM 1284 OE2 GLU A 82 5.359 -8.880 -23.984 1.00 0.00 O ATOM 0 H GLU A 82 7.685 -6.019 -20.248 1.00 0.00 H new ATOM 0 HA GLU A 82 4.869 -6.005 -19.527 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.960 -8.686 -20.290 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.298 -8.138 -20.194 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.603 -6.760 -22.235 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.295 -7.210 -22.312 1.00 0.00 H new ATOM 1291 N LEU A 83 5.462 -7.364 -17.438 1.00 0.00 N ATOM 1292 CA LEU A 83 5.886 -7.773 -16.110 1.00 0.00 C ATOM 1293 C LEU A 83 6.542 -9.153 -16.192 1.00 0.00 C ATOM 1294 O LEU A 83 5.914 -10.117 -16.626 1.00 0.00 O ATOM 1295 CB LEU A 83 4.715 -7.706 -15.129 1.00 0.00 C ATOM 1296 CG LEU A 83 5.058 -7.949 -13.657 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.567 -8.103 -13.464 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.477 -6.846 -12.769 1.00 0.00 C ATOM 0 H LEU A 83 4.452 -7.362 -17.581 1.00 0.00 H new ATOM 0 HA LEU A 83 6.637 -7.085 -15.721 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.250 -6.724 -15.216 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.969 -8.440 -15.434 1.00 0.00 H new ATOM 0 HG LEU A 83 4.596 -8.887 -13.350 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.783 -8.275 -12.410 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.924 -8.950 -14.050 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.071 -7.195 -13.795 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.735 -7.043 -11.728 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.889 -5.882 -13.069 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.392 -6.826 -12.876 1.00 0.00 H new ATOM 1310 N HIS A 84 7.797 -9.202 -15.768 1.00 0.00 N ATOM 1311 CA HIS A 84 8.544 -10.449 -15.788 1.00 0.00 C ATOM 1312 C HIS A 84 7.974 -11.407 -14.741 1.00 0.00 C ATOM 1313 O HIS A 84 6.968 -11.104 -14.101 1.00 0.00 O ATOM 1314 CB HIS A 84 10.040 -10.187 -15.600 1.00 0.00 C ATOM 1315 CG HIS A 84 10.909 -10.779 -16.685 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.432 -11.067 -17.952 1.00 0.00 N ATOM 1317 CD2 HIS A 84 12.225 -11.134 -16.679 1.00 0.00 C ATOM 1318 CE1 HIS A 84 11.427 -11.571 -18.667 1.00 0.00 C ATOM 1319 NE2 HIS A 84 12.536 -11.612 -17.877 1.00 0.00 N ATOM 0 H HIS A 84 8.315 -8.400 -15.409 1.00 0.00 H new ATOM 0 HA HIS A 84 8.436 -10.926 -16.762 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.208 -9.111 -15.561 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.351 -10.593 -14.638 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.900 -11.042 -15.841 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.369 -11.893 -19.696 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.454 -11.954 -18.160 1.00 0.00 H new ATOM 1328 N PRO A 85 8.658 -12.571 -14.593 1.00 0.00 N ATOM 1329 CA PRO A 85 8.230 -13.575 -13.635 1.00 0.00 C ATOM 1330 C PRO A 85 8.576 -13.152 -12.206 1.00 0.00 C ATOM 1331 O PRO A 85 8.482 -13.952 -11.277 1.00 0.00 O ATOM 1332 CB PRO A 85 8.933 -14.853 -14.062 1.00 0.00 C ATOM 1333 CG PRO A 85 10.085 -14.416 -14.954 1.00 0.00 C ATOM 1334 CD PRO A 85 9.855 -12.963 -15.333 1.00 0.00 C ATOM 0 HA PRO A 85 7.149 -13.715 -13.628 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.297 -15.407 -13.196 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.252 -15.513 -14.599 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.036 -14.529 -14.433 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.135 -15.040 -15.846 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.709 -12.343 -15.061 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.710 -12.852 -16.408 1.00 0.00 H new ATOM 1342 N ASP A 86 8.969 -11.894 -12.074 1.00 0.00 N ATOM 1343 CA ASP A 86 9.329 -11.354 -10.774 1.00 0.00 C ATOM 1344 C ASP A 86 8.057 -11.066 -9.975 1.00 0.00 C ATOM 1345 O ASP A 86 8.073 -11.089 -8.746 1.00 0.00 O ATOM 1346 CB ASP A 86 10.104 -10.042 -10.918 1.00 0.00 C ATOM 1347 CG ASP A 86 9.775 -8.978 -9.870 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.255 -9.140 -8.727 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.049 -8.028 -10.234 1.00 0.00 O ATOM 0 H ASP A 86 9.046 -11.232 -12.847 1.00 0.00 H new ATOM 0 HA ASP A 86 9.954 -12.088 -10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.171 -10.261 -10.869 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.908 -9.629 -11.907 1.00 0.00 H new ATOM 1354 N ASP A 87 6.983 -10.804 -10.707 1.00 0.00 N ATOM 1355 CA ASP A 87 5.705 -10.513 -10.084 1.00 0.00 C ATOM 1356 C ASP A 87 4.603 -10.551 -11.143 1.00 0.00 C ATOM 1357 O ASP A 87 4.057 -9.514 -11.515 1.00 0.00 O ATOM 1358 CB ASP A 87 5.705 -9.119 -9.451 1.00 0.00 C ATOM 1359 CG ASP A 87 6.044 -9.084 -7.961 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.095 -9.217 -7.159 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.247 -8.926 -7.657 1.00 0.00 O ATOM 0 H ASP A 87 6.973 -10.788 -11.727 1.00 0.00 H new ATOM 0 HA ASP A 87 5.531 -11.261 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.421 -8.494 -9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.722 -8.672 -9.595 1.00 0.00 H new ATOM 1366 N ARG A 88 4.310 -11.760 -11.603 1.00 0.00 N ATOM 1367 CA ARG A 88 3.284 -11.947 -12.614 1.00 0.00 C ATOM 1368 C ARG A 88 1.915 -12.130 -11.955 1.00 0.00 C ATOM 1369 O ARG A 88 1.055 -11.256 -12.050 1.00 0.00 O ATOM 1370 CB ARG A 88 3.587 -13.165 -13.488 1.00 0.00 C ATOM 1371 CG ARG A 88 4.990 -13.073 -14.090 1.00 0.00 C ATOM 1372 CD ARG A 88 4.968 -12.310 -15.417 1.00 0.00 C ATOM 1373 NE ARG A 88 4.056 -12.981 -16.371 1.00 0.00 N ATOM 1374 CZ ARG A 88 3.905 -12.612 -17.651 1.00 0.00 C ATOM 1375 NH1 ARG A 88 4.605 -11.578 -18.137 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.055 -13.280 -18.444 1.00 0.00 N ATOM 0 H ARG A 88 4.766 -12.619 -11.294 1.00 0.00 H new ATOM 0 HA ARG A 88 3.273 -11.056 -13.242 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.502 -14.074 -12.893 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.849 -13.236 -14.287 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.658 -12.572 -13.389 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.388 -14.075 -14.249 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.642 -11.283 -15.250 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.974 -12.262 -15.835 1.00 0.00 H new ATOM 0 HE ARG A 88 3.509 -13.773 -16.034 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.253 -11.072 -17.533 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.490 -11.297 -19.111 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.524 -14.068 -18.073 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.939 -13.000 -19.418 1.00 0.00 H new ATOM 1390 N SER A 89 1.758 -13.270 -11.300 1.00 0.00 N ATOM 1391 CA SER A 89 0.508 -13.578 -10.623 1.00 0.00 C ATOM 1392 C SER A 89 0.288 -12.606 -9.462 1.00 0.00 C ATOM 1393 O SER A 89 -0.766 -12.620 -8.827 1.00 0.00 O ATOM 1394 CB SER A 89 0.498 -15.022 -10.116 1.00 0.00 C ATOM 1395 OG SER A 89 -0.772 -15.393 -9.590 1.00 0.00 O ATOM 0 H SER A 89 2.474 -13.992 -11.223 1.00 0.00 H new ATOM 0 HA SER A 89 -0.306 -13.467 -11.340 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.763 -15.695 -10.932 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.259 -15.141 -9.345 1.00 0.00 H new ATOM 0 HG SER A 89 -1.251 -14.590 -9.296 1.00 0.00 H new ATOM 1401 N LYS A 90 1.300 -11.787 -9.218 1.00 0.00 N ATOM 1402 CA LYS A 90 1.230 -10.809 -8.145 1.00 0.00 C ATOM 1403 C LYS A 90 0.348 -9.639 -8.583 1.00 0.00 C ATOM 1404 O LYS A 90 -0.159 -8.892 -7.746 1.00 0.00 O ATOM 1405 CB LYS A 90 2.636 -10.390 -7.710 1.00 0.00 C ATOM 1406 CG LYS A 90 3.196 -11.355 -6.661 1.00 0.00 C ATOM 1407 CD LYS A 90 3.459 -10.633 -5.339 1.00 0.00 C ATOM 1408 CE LYS A 90 3.135 -11.537 -4.148 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.132 -11.354 -3.070 1.00 0.00 N ATOM 0 H LYS A 90 2.173 -11.780 -9.745 1.00 0.00 H new ATOM 0 HA LYS A 90 0.764 -11.246 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.297 -10.366 -8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.608 -9.380 -7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.492 -12.172 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.121 -11.799 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.503 -10.322 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.854 -9.728 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.138 -11.308 -3.771 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.124 -12.579 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.896 -11.975 -2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.078 -11.594 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.123 -10.363 -2.753 1.00 0.00 H new ATOM 1423 N ILE A 91 0.189 -9.517 -9.891 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.624 -8.450 -10.451 1.00 0.00 C ATOM 1425 C ILE A 91 -1.654 -9.049 -11.412 1.00 0.00 C ATOM 1426 O ILE A 91 -2.775 -8.551 -11.515 1.00 0.00 O ATOM 1427 CB ILE A 91 0.263 -7.378 -11.090 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.554 -7.710 -12.554 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.545 -7.176 -10.280 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.287 -6.557 -13.242 1.00 0.00 C ATOM 0 H ILE A 91 0.609 -10.140 -10.581 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.180 -7.942 -9.663 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.278 -6.432 -11.077 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.158 -8.616 -12.612 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.380 -7.915 -13.077 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.158 -6.410 -10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.290 -6.862 -9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.101 -8.112 -10.240 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.482 -6.819 -14.282 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.670 -5.659 -13.203 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.232 -6.370 -12.732 1.00 0.00 H new ATOM 1442 N THR A 92 -1.237 -10.108 -12.088 1.00 0.00 N ATOM 1443 CA THR A 92 -2.109 -10.781 -13.037 1.00 0.00 C ATOM 1444 C THR A 92 -3.575 -10.602 -12.634 1.00 0.00 C ATOM 1445 O THR A 92 -4.403 -10.203 -13.450 1.00 0.00 O ATOM 1446 CB THR A 92 -1.676 -12.246 -13.122 1.00 0.00 C ATOM 1447 OG1 THR A 92 -2.144 -12.673 -14.398 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.429 -13.137 -12.130 1.00 0.00 C ATOM 0 H THR A 92 -0.307 -10.518 -11.998 1.00 0.00 H new ATOM 0 HA THR A 92 -2.022 -10.344 -14.032 1.00 0.00 H new ATOM 0 HB THR A 92 -0.605 -12.320 -12.935 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.463 -12.484 -15.076 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.084 -14.166 -12.231 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.241 -12.790 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.498 -13.090 -12.338 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.850 -10.908 -11.373 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.200 -10.787 -10.851 1.00 0.00 C ATOM 1458 C LYS A 93 -5.324 -9.478 -10.069 1.00 0.00 C ATOM 1459 O LYS A 93 -4.359 -9.021 -9.460 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.574 -12.028 -10.037 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.320 -13.046 -10.902 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.579 -14.339 -10.126 1.00 0.00 C ATOM 1463 CE LYS A 93 -7.660 -14.132 -9.062 1.00 0.00 C ATOM 1464 NZ LYS A 93 -8.647 -15.233 -9.105 1.00 0.00 N ATOM 0 H LYS A 93 -3.160 -11.239 -10.699 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.921 -10.741 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.673 -12.484 -9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.197 -11.738 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.267 -12.621 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.737 -13.265 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.887 -15.125 -10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.656 -14.674 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.202 -14.085 -8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.162 -13.179 -9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.373 -15.077 -8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.097 -15.260 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.166 -16.138 -8.926 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.553 -8.897 -10.112 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.815 -7.650 -9.414 1.00 0.00 C ATOM 1480 C PRO A 94 -6.940 -7.880 -7.907 1.00 0.00 C ATOM 1481 O PRO A 94 -6.190 -7.300 -7.123 1.00 0.00 O ATOM 1482 CB PRO A 94 -8.093 -7.111 -10.040 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.749 -8.294 -10.734 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.721 -9.410 -10.823 1.00 0.00 C ATOM 0 HA PRO A 94 -6.002 -6.932 -9.517 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.752 -6.689 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.874 -6.314 -10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.625 -8.626 -10.177 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.092 -8.011 -11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.092 -10.327 -10.365 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.481 -9.646 -11.860 1.00 0.00 H new ATOM 1492 N SER A 95 -7.891 -8.729 -7.546 1.00 0.00 N ATOM 1493 CA SER A 95 -8.123 -9.043 -6.146 1.00 0.00 C ATOM 1494 C SER A 95 -9.215 -10.107 -6.023 1.00 0.00 C ATOM 1495 O SER A 95 -9.859 -10.459 -7.010 1.00 0.00 O ATOM 1496 CB SER A 95 -8.511 -7.789 -5.358 1.00 0.00 C ATOM 1497 OG SER A 95 -9.623 -7.115 -5.941 1.00 0.00 O ATOM 0 H SER A 95 -8.510 -9.209 -8.199 1.00 0.00 H new ATOM 0 HA SER A 95 -7.197 -9.432 -5.724 1.00 0.00 H new ATOM 0 HB2 SER A 95 -8.752 -8.066 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.659 -7.111 -5.313 1.00 0.00 H new ATOM 0 HG SER A 95 -9.841 -6.322 -5.408 1.00 0.00 H new ATOM 1503 N GLU A 96 -9.390 -10.591 -4.802 1.00 0.00 N ATOM 1504 CA GLU A 96 -10.392 -11.607 -4.536 1.00 0.00 C ATOM 1505 C GLU A 96 -10.851 -11.533 -3.078 1.00 0.00 C ATOM 1506 O GLU A 96 -10.030 -11.407 -2.171 1.00 0.00 O ATOM 1507 CB GLU A 96 -9.860 -13.003 -4.873 1.00 0.00 C ATOM 1508 CG GLU A 96 -8.546 -13.281 -4.138 1.00 0.00 C ATOM 1509 CD GLU A 96 -8.674 -14.510 -3.234 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -9.727 -14.618 -2.569 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -7.715 -15.311 -3.228 1.00 0.00 O ATOM 0 H GLU A 96 -8.854 -10.297 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.253 -11.417 -5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.600 -13.754 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.704 -13.087 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.746 -13.439 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.268 -12.413 -3.541 1.00 0.00 H new ATOM 1518 N SER A 97 -12.161 -11.614 -2.899 1.00 0.00 N ATOM 1519 CA SER A 97 -12.740 -11.557 -1.567 1.00 0.00 C ATOM 1520 C SER A 97 -14.225 -11.915 -1.627 1.00 0.00 C ATOM 1521 O SER A 97 -14.777 -12.116 -2.708 1.00 0.00 O ATOM 1522 CB SER A 97 -12.550 -10.173 -0.944 1.00 0.00 C ATOM 1523 OG SER A 97 -11.179 -9.886 -0.687 1.00 0.00 O ATOM 0 H SER A 97 -12.839 -11.719 -3.654 1.00 0.00 H new ATOM 0 HA SER A 97 -12.225 -12.282 -0.937 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.960 -9.416 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.113 -10.115 -0.013 1.00 0.00 H new ATOM 0 HG SER A 97 -10.645 -10.698 -0.815 1.00 0.00 H new ATOM 1529 N ILE A 98 -14.832 -11.984 -0.451 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.244 -12.313 -0.355 1.00 0.00 C ATOM 1531 C ILE A 98 -16.991 -11.153 0.307 1.00 0.00 C ATOM 1532 O ILE A 98 -16.372 -10.201 0.777 1.00 0.00 O ATOM 1533 CB ILE A 98 -16.434 -13.654 0.358 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -17.813 -14.245 0.056 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -16.185 -13.515 1.861 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -17.753 -15.773 -0.009 1.00 0.00 C ATOM 0 H ILE A 98 -14.371 -11.818 0.444 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.673 -12.442 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.693 -14.355 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -18.521 -13.938 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -18.182 -13.851 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -16.326 -14.482 2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.165 -13.170 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.886 -12.794 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -18.746 -16.167 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -17.063 -16.077 -0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -17.407 -16.165 0.948 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.310 -11.274 0.324 1.00 0.00 N ATOM 1549 CA ILE A 99 -19.148 -10.248 0.922 1.00 0.00 C ATOM 1550 C ILE A 99 -19.602 -10.709 2.308 1.00 0.00 C ATOM 1551 O ILE A 99 -19.180 -10.154 3.320 1.00 0.00 O ATOM 1552 CB ILE A 99 -20.301 -9.885 -0.016 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -19.781 -9.497 -1.401 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -21.181 -8.792 0.595 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -19.307 -8.042 -1.420 1.00 0.00 C ATOM 0 H ILE A 99 -18.819 -12.067 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 99 -18.582 -9.328 1.063 1.00 0.00 H new ATOM 0 HB ILE A 99 -20.927 -10.768 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -18.959 -10.155 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -20.569 -9.637 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -21.993 -8.552 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -21.596 -9.145 1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -20.581 -7.899 0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -18.942 -7.791 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -20.138 -7.385 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -18.503 -7.912 -0.696 1.00 0.00 H new ATOM 1567 N THR A 100 -20.458 -11.721 2.308 1.00 0.00 N ATOM 1568 CA THR A 100 -20.974 -12.264 3.552 1.00 0.00 C ATOM 1569 C THR A 100 -21.725 -11.184 4.334 1.00 0.00 C ATOM 1570 O THR A 100 -21.434 -9.997 4.196 1.00 0.00 O ATOM 1571 CB THR A 100 -19.803 -12.870 4.327 1.00 0.00 C ATOM 1572 OG1 THR A 100 -19.506 -14.073 3.624 1.00 0.00 O ATOM 1573 CG2 THR A 100 -20.206 -13.345 5.724 1.00 0.00 C ATOM 0 H THR A 100 -20.807 -12.179 1.466 1.00 0.00 H new ATOM 0 HA THR A 100 -21.702 -13.054 3.366 1.00 0.00 H new ATOM 0 HB THR A 100 -19.005 -12.132 4.411 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.756 -14.529 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.337 -13.766 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 100 -20.587 -12.501 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 100 -20.981 -14.107 5.640 1.00 0.00 H new ATOM 1581 N THR A 101 -22.679 -11.634 5.137 1.00 0.00 N ATOM 1582 CA THR A 101 -23.474 -10.722 5.941 1.00 0.00 C ATOM 1583 C THR A 101 -24.341 -11.500 6.932 1.00 0.00 C ATOM 1584 O THR A 101 -24.453 -12.722 6.837 1.00 0.00 O ATOM 1585 CB THR A 101 -24.283 -9.837 4.990 1.00 0.00 C ATOM 1586 OG1 THR A 101 -24.955 -8.924 5.853 1.00 0.00 O ATOM 1587 CG2 THR A 101 -25.415 -10.601 4.300 1.00 0.00 C ATOM 0 H THR A 101 -22.919 -12.619 5.248 1.00 0.00 H new ATOM 0 HA THR A 101 -22.841 -10.077 6.550 1.00 0.00 H new ATOM 0 HB THR A 101 -23.620 -9.413 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 101 -25.502 -8.311 5.319 1.00 0.00 H new ATOM 0 HG21 THR A 101 -25.957 -9.927 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 101 -24.998 -11.424 3.719 1.00 0.00 H new ATOM 0 HG23 THR A 101 -26.098 -10.997 5.052 1.00 0.00 H new ATOM 1595 N ILE A 102 -24.932 -10.761 7.859 1.00 0.00 N ATOM 1596 CA ILE A 102 -25.786 -11.368 8.866 1.00 0.00 C ATOM 1597 C ILE A 102 -27.241 -10.981 8.594 1.00 0.00 C ATOM 1598 O ILE A 102 -27.512 -9.907 8.058 1.00 0.00 O ATOM 1599 CB ILE A 102 -25.303 -10.998 10.269 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -25.661 -12.092 11.278 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -25.843 -9.631 10.694 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -24.433 -12.514 12.089 1.00 0.00 C ATOM 0 H ILE A 102 -24.837 -9.748 7.934 1.00 0.00 H new ATOM 0 HA ILE A 102 -25.729 -12.455 8.810 1.00 0.00 H new ATOM 0 HB ILE A 102 -24.216 -10.922 10.246 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -26.439 -11.731 11.951 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -26.069 -12.956 10.753 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -25.484 -9.393 11.695 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -25.498 -8.870 9.994 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -26.933 -9.655 10.695 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -24.715 -13.292 12.798 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -23.666 -12.897 11.416 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -24.042 -11.653 12.631 1.00 0.00 H new ATOM 1614 N ASP A 103 -28.139 -11.877 8.976 1.00 0.00 N ATOM 1615 CA ASP A 103 -29.561 -11.644 8.782 1.00 0.00 C ATOM 1616 C ASP A 103 -30.086 -10.752 9.906 1.00 0.00 C ATOM 1617 O ASP A 103 -30.609 -9.668 9.652 1.00 0.00 O ATOM 1618 CB ASP A 103 -30.345 -12.958 8.814 1.00 0.00 C ATOM 1619 CG ASP A 103 -31.300 -13.169 7.638 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -30.806 -13.608 6.577 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -32.503 -12.887 7.828 1.00 0.00 O ATOM 0 H ASP A 103 -27.910 -12.767 9.419 1.00 0.00 H new ATOM 0 HA ASP A 103 -29.694 -11.169 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -29.637 -13.786 8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -30.918 -12.999 9.740 1.00 0.00 H new ATOM 1626 N SER A 104 -29.927 -11.239 11.129 1.00 0.00 N ATOM 1627 CA SER A 104 -30.379 -10.499 12.295 1.00 0.00 C ATOM 1628 C SER A 104 -31.798 -9.978 12.066 1.00 0.00 C ATOM 1629 O SER A 104 -32.472 -10.392 11.123 1.00 0.00 O ATOM 1630 CB SER A 104 -29.432 -9.340 12.613 1.00 0.00 C ATOM 1631 OG SER A 104 -29.577 -8.885 13.955 1.00 0.00 O ATOM 0 H SER A 104 -29.491 -12.137 11.337 1.00 0.00 H new ATOM 0 HA SER A 104 -30.381 -11.175 13.150 1.00 0.00 H new ATOM 0 HB2 SER A 104 -28.402 -9.657 12.447 1.00 0.00 H new ATOM 0 HB3 SER A 104 -29.626 -8.515 11.928 1.00 0.00 H new ATOM 0 HG SER A 104 -28.954 -8.146 14.119 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.123 5.047 -17.711 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.790 6.810 -18.833 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.920 4.810 -20.926 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.558 3.090 -16.588 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.186 5.447 -14.488 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.750 5.673 -19.494 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.919 6.307 -19.794 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.074 6.435 -21.255 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.945 5.941 -21.854 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.118 5.478 -20.762 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.620 5.877 -23.345 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.301 6.977 -21.960 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.460 5.994 -21.894 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.011 4.552 -22.016 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.815 4.082 -23.151 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.891 3.864 -20.985 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.571 4.174 -18.556 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.197 4.188 -19.911 1.00 0.00 C HETATM 1656 C2B HEM A 105 -4.980 3.421 -20.130 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.638 2.882 -18.905 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.604 3.383 -17.954 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.313 3.179 -21.484 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.723 1.852 -18.585 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.411 1.685 -18.964 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.503 4.403 -15.930 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.436 3.557 -15.654 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.331 3.241 -14.213 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.365 3.914 -13.629 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.065 4.653 -14.689 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.270 2.297 -13.592 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.721 3.931 -12.272 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.768 4.029 -11.271 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.692 5.915 -16.830 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.960 6.032 -15.461 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.113 6.859 -15.223 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.524 7.273 -16.433 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.684 6.644 -17.446 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.776 7.167 -13.886 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.595 8.301 -16.710 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.930 7.626 -16.907 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.619 8.089 -18.168 1.00 0.00 C HETATM 1679 O1D HEM A 105 -15.867 8.042 -18.199 1.00 0.00 O HETATM 1680 O2D HEM A 105 -13.921 8.514 -19.120 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.544 5.784 -23.915 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -7.984 5.014 -23.542 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.100 6.787 -23.643 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.071 3.171 -22.267 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.797 2.219 -21.469 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.594 3.974 -21.683 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.993 1.533 -14.318 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.683 1.820 -12.703 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.386 2.873 -13.317 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.638 6.324 -13.209 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.842 7.338 -14.039 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.324 8.059 -13.453 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.850 0.817 -18.617 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -1.933 2.420 -19.611 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.075 4.040 -10.225 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.711 4.095 -11.529 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.168 6.219 -22.692 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.990 6.127 -20.951 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.060 7.188 -23.002 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.597 7.922 -21.504 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.570 7.831 -16.049 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.787 6.546 -16.948 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.336 8.876 -17.599 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.655 9.006 -15.881 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.631 7.385 -19.192 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.510 4.766 -21.924 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.765 2.443 -16.245 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.479 5.623 -13.464 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.119 1.069 -17.938 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.774 3.865 -11.998 1.00 0.00 H new