USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 CYS SG : rot 160:sc= -0.21 USER MOD Set 1.2: A 75 CYS SG : rot -60:sc= -1.07 USER MOD Set 1.3: A 98 CYS SG : rot -137:sc= 0.00496 USER MOD Set 1.4: A 101 CYS SG : rot 95:sc= -3.91 USER MOD Set 2.1: A 57 CYS SG : rot -173:sc= -0.751 USER MOD Set 2.2: A 60 CYS SG : rot -117:sc= -0.858 USER MOD Set 2.3: A 69 MET CE :methyl 147:sc= -0.29 (180deg=-1.34) USER MOD Set 2.4: A 80 HIS : no HD1:sc= -3.1! K(o=-4!,f=-3.1) USER MOD Set 2.5: A 83 CYS SG : rot 50:sc= 1.02 USER MOD Set 3.1: A 25 CYS SG : rot 147:sc= 0.817 USER MOD Set 3.2: A 28 CYS SG : rot -58:sc= -0.12 USER MOD Set 3.3: A 51 CYS SG : rot -142:sc= -0.306 USER MOD Set 3.4: A 54 CYS SG : rot 121:sc= -2.43 USER MOD Set 4.1: A 22 GLN : amide:sc= -3.26! C(o=-12!,f=-11!) USER MOD Set 4.2: A 31 HIS : no HD1:sc= -8.36! C(o=-12!,f=-11!) USER MOD Set 5.1: A 10 CYS SG : rot -161:sc= 0.00481 USER MOD Set 5.2: A 13 CYS SG : rot -120:sc= -3.08 USER MOD Set 5.3: A 33 HIS : no HD1:sc= -1.97! K(o=-6!,f=-5.5) USER MOD Set 5.4: A 36 CYS SG : rot 80:sc= -0.996 USER MOD Single : A 9 ASN : amide:sc= 0.0434 K(o=0.043,f=-0.95) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.639 X(o=-0.64,f=-0.15) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 0 (180deg=-1.61) USER MOD Single : A 50 GLN : amide:sc= -0.0262 X(o=-0.026,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= -1.1 (180deg=-2.94!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.76) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= -0.0291 (180deg=-0.232) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -170:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.8!) USER MOD Single : A 88 MET CE :methyl -122:sc= -4.27! (180deg=-9.14!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.52! C(o=-2.5!,f=-1.6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -17.030 3.799 1.301 1.00 0.00 N ATOM 67 CA ALA A 8 -15.660 3.333 1.124 1.00 0.00 C ATOM 68 C ALA A 8 -15.345 2.182 2.073 1.00 0.00 C ATOM 69 O ALA A 8 -14.272 2.136 2.672 1.00 0.00 O ATOM 70 CB ALA A 8 -14.682 4.479 1.338 1.00 0.00 C ATOM 0 HA ALA A 8 -15.556 2.966 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.663 4.117 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.885 5.270 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.797 4.871 2.348 1.00 0.00 H new ATOM 76 N ASN A 9 -16.288 1.255 2.205 1.00 0.00 N ATOM 77 CA ASN A 9 -16.111 0.104 3.083 1.00 0.00 C ATOM 78 C ASN A 9 -14.723 -0.505 2.908 1.00 0.00 C ATOM 79 O ASN A 9 -14.182 -0.538 1.802 1.00 0.00 O ATOM 80 CB ASN A 9 -17.182 -0.951 2.798 1.00 0.00 C ATOM 81 CG ASN A 9 -17.448 -1.119 1.315 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.225 -0.368 0.723 1.00 0.00 O ATOM 83 ND2 ASN A 9 -16.804 -2.107 0.706 1.00 0.00 N ATOM 0 H ASN A 9 -17.182 1.278 1.715 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.212 0.446 4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.868 -1.906 3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.107 -0.670 3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.944 -2.268 -0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.170 -2.705 1.235 1.00 0.00 H new ATOM 90 N CYS A 10 -14.151 -0.986 4.006 1.00 0.00 N ATOM 91 CA CYS A 10 -12.826 -1.594 3.976 1.00 0.00 C ATOM 92 C CYS A 10 -12.786 -2.761 2.993 1.00 0.00 C ATOM 93 O CYS A 10 -13.574 -3.700 3.096 1.00 0.00 O ATOM 94 CB CYS A 10 -12.432 -2.077 5.373 1.00 0.00 C ATOM 95 SG CYS A 10 -10.662 -2.473 5.551 1.00 0.00 S ATOM 0 H CYS A 10 -14.585 -0.967 4.929 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.114 -0.838 3.646 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.696 -1.309 6.099 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.018 -2.963 5.618 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.489 -3.226 6.597 1.00 0.00 H new ATOM 100 N ALA A 11 -11.861 -2.693 2.041 1.00 0.00 N ATOM 101 CA ALA A 11 -11.715 -3.744 1.041 1.00 0.00 C ATOM 102 C ALA A 11 -11.108 -5.002 1.652 1.00 0.00 C ATOM 103 O ALA A 11 -10.820 -5.970 0.947 1.00 0.00 O ATOM 104 CB ALA A 11 -10.863 -3.254 -0.119 1.00 0.00 C ATOM 0 H ALA A 11 -11.202 -1.921 1.941 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.707 -3.996 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.762 -4.049 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.339 -2.388 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.876 -2.973 0.248 1.00 0.00 H new ATOM 110 N VAL A 12 -10.914 -4.983 2.967 1.00 0.00 N ATOM 111 CA VAL A 12 -10.341 -6.123 3.673 1.00 0.00 C ATOM 112 C VAL A 12 -11.348 -6.733 4.641 1.00 0.00 C ATOM 113 O VAL A 12 -11.510 -7.952 4.699 1.00 0.00 O ATOM 114 CB VAL A 12 -9.074 -5.721 4.452 1.00 0.00 C ATOM 115 CG1 VAL A 12 -8.551 -6.896 5.263 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.007 -5.202 3.501 1.00 0.00 C ATOM 0 H VAL A 12 -11.145 -4.190 3.565 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.075 -6.862 2.918 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.333 -4.919 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.656 -6.593 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.314 -7.218 5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.307 -7.721 4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.119 -4.923 4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.749 -5.981 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.387 -4.330 2.969 1.00 0.00 H new ATOM 126 N CYS A 13 -12.023 -5.877 5.400 1.00 0.00 N ATOM 127 CA CYS A 13 -13.016 -6.330 6.367 1.00 0.00 C ATOM 128 C CYS A 13 -14.416 -5.880 5.961 1.00 0.00 C ATOM 129 O CYS A 13 -15.415 -6.416 6.441 1.00 0.00 O ATOM 130 CB CYS A 13 -12.681 -5.796 7.762 1.00 0.00 C ATOM 131 SG CYS A 13 -12.965 -4.008 7.961 1.00 0.00 S ATOM 0 H CYS A 13 -11.901 -4.865 5.364 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.996 -7.420 6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.280 -6.332 8.498 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -11.636 -6.014 7.981 1.00 0.00 H new ATOM 0 HG CYS A 13 -11.846 -3.423 8.269 1.00 0.00 H new ATOM 136 N ASP A 14 -14.480 -4.893 5.074 1.00 0.00 N ATOM 137 CA ASP A 14 -15.758 -4.372 4.602 1.00 0.00 C ATOM 138 C ASP A 14 -16.565 -3.784 5.755 1.00 0.00 C ATOM 139 O ASP A 14 -17.714 -4.163 5.979 1.00 0.00 O ATOM 140 CB ASP A 14 -16.560 -5.476 3.912 1.00 0.00 C ATOM 141 CG ASP A 14 -17.889 -4.979 3.379 1.00 0.00 C ATOM 142 OD1 ASP A 14 -17.881 -4.154 2.441 1.00 0.00 O ATOM 143 OD2 ASP A 14 -18.938 -5.413 3.900 1.00 0.00 O ATOM 0 H ASP A 14 -13.663 -4.438 4.668 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.555 -3.578 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.974 -5.888 3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.736 -6.288 4.617 1.00 0.00 H new ATOM 148 N SER A 15 -15.954 -2.856 6.485 1.00 0.00 N ATOM 149 CA SER A 15 -16.614 -2.219 7.619 1.00 0.00 C ATOM 150 C SER A 15 -16.289 -0.729 7.670 1.00 0.00 C ATOM 151 O SER A 15 -15.158 -0.306 7.427 1.00 0.00 O ATOM 152 CB SER A 15 -16.190 -2.890 8.927 1.00 0.00 C ATOM 153 OG SER A 15 -16.754 -4.185 9.042 1.00 0.00 O ATOM 0 H SER A 15 -15.004 -2.529 6.312 1.00 0.00 H new ATOM 0 HA SER A 15 -17.690 -2.335 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.103 -2.958 8.969 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.503 -2.277 9.772 1.00 0.00 H new ATOM 0 HG SER A 15 -16.467 -4.593 9.885 1.00 0.00 H new ATOM 159 N PRO A 16 -17.303 0.086 7.994 1.00 0.00 N ATOM 160 CA PRO A 16 -17.150 1.541 8.086 1.00 0.00 C ATOM 161 C PRO A 16 -16.302 1.961 9.281 1.00 0.00 C ATOM 162 O PRO A 16 -15.345 2.721 9.139 1.00 0.00 O ATOM 163 CB PRO A 16 -18.589 2.039 8.250 1.00 0.00 C ATOM 164 CG PRO A 16 -19.321 0.890 8.853 1.00 0.00 C ATOM 165 CD PRO A 16 -18.677 -0.349 8.297 1.00 0.00 C ATOM 0 HA PRO A 16 -16.638 1.953 7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.633 2.918 8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.021 2.324 7.291 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.252 0.911 9.941 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.381 0.926 8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.690 -1.166 9.018 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.192 -0.703 7.404 1.00 0.00 H new ATOM 173 N GLY A 17 -16.660 1.461 10.460 1.00 0.00 N ATOM 174 CA GLY A 17 -15.921 1.796 11.663 1.00 0.00 C ATOM 175 C GLY A 17 -15.313 3.183 11.603 1.00 0.00 C ATOM 176 O GLY A 17 -16.029 4.184 11.636 1.00 0.00 O ATOM 0 H GLY A 17 -17.449 0.830 10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.586 1.731 12.524 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.130 1.062 11.816 1.00 0.00 H new ATOM 180 N ASP A 18 -13.988 3.243 11.517 1.00 0.00 N ATOM 181 CA ASP A 18 -13.284 4.519 11.453 1.00 0.00 C ATOM 182 C ASP A 18 -12.799 4.801 10.035 1.00 0.00 C ATOM 183 O ASP A 18 -11.987 4.056 9.485 1.00 0.00 O ATOM 184 CB ASP A 18 -12.099 4.520 12.420 1.00 0.00 C ATOM 185 CG ASP A 18 -12.489 4.969 13.814 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.358 4.314 14.428 1.00 0.00 O ATOM 187 OD2 ASP A 18 -11.926 5.976 14.292 1.00 0.00 O ATOM 0 H ASP A 18 -13.381 2.424 11.490 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.981 5.306 11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.674 3.518 12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.320 5.178 12.034 1.00 0.00 H new ATOM 192 N LEU A 19 -13.303 5.881 9.447 1.00 0.00 N ATOM 193 CA LEU A 19 -12.923 6.262 8.091 1.00 0.00 C ATOM 194 C LEU A 19 -11.531 6.885 8.071 1.00 0.00 C ATOM 195 O LEU A 19 -10.687 6.521 7.250 1.00 0.00 O ATOM 196 CB LEU A 19 -13.942 7.244 7.511 1.00 0.00 C ATOM 197 CG LEU A 19 -15.364 6.709 7.334 1.00 0.00 C ATOM 198 CD1 LEU A 19 -16.320 7.840 6.988 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.398 5.631 6.260 1.00 0.00 C ATOM 0 H LEU A 19 -13.976 6.508 9.888 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.907 5.361 7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.983 8.119 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.579 7.582 6.540 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.685 6.265 8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.327 7.441 6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.317 8.577 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.002 8.314 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.417 5.262 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.057 6.050 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.744 4.808 6.549 1.00 0.00 H new ATOM 211 N LEU A 20 -11.296 7.824 8.980 1.00 0.00 N ATOM 212 CA LEU A 20 -10.004 8.497 9.069 1.00 0.00 C ATOM 213 C LEU A 20 -8.900 7.510 9.435 1.00 0.00 C ATOM 214 O LEU A 20 -7.787 7.588 8.915 1.00 0.00 O ATOM 215 CB LEU A 20 -10.063 9.622 10.105 1.00 0.00 C ATOM 216 CG LEU A 20 -10.582 10.970 9.603 1.00 0.00 C ATOM 217 CD1 LEU A 20 -10.873 11.898 10.772 1.00 0.00 C ATOM 218 CD2 LEU A 20 -9.580 11.606 8.650 1.00 0.00 C ATOM 0 H LEU A 20 -11.983 8.137 9.666 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.776 8.923 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.696 9.296 10.930 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.062 9.769 10.510 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.512 10.801 9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.241 12.852 10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.627 11.446 11.416 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.959 12.061 11.343 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.966 12.564 8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.634 11.762 9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.422 10.948 7.796 1.00 0.00 H new ATOM 230 N ASP A 21 -9.217 6.583 10.332 1.00 0.00 N ATOM 231 CA ASP A 21 -8.252 5.578 10.765 1.00 0.00 C ATOM 232 C ASP A 21 -7.642 4.858 9.567 1.00 0.00 C ATOM 233 O ASP A 21 -6.425 4.697 9.482 1.00 0.00 O ATOM 234 CB ASP A 21 -8.922 4.567 11.697 1.00 0.00 C ATOM 235 CG ASP A 21 -7.995 3.429 12.079 1.00 0.00 C ATOM 236 OD1 ASP A 21 -7.502 2.734 11.166 1.00 0.00 O ATOM 237 OD2 ASP A 21 -7.761 3.236 13.290 1.00 0.00 O ATOM 0 H ASP A 21 -10.133 6.506 10.773 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.453 6.086 11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.258 5.077 12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.809 4.161 11.211 1.00 0.00 H new ATOM 242 N GLN A 22 -8.496 4.427 8.644 1.00 0.00 N ATOM 243 CA GLN A 22 -8.040 3.722 7.452 1.00 0.00 C ATOM 244 C GLN A 22 -7.544 4.704 6.396 1.00 0.00 C ATOM 245 O GLN A 22 -8.180 5.725 6.136 1.00 0.00 O ATOM 246 CB GLN A 22 -9.169 2.864 6.878 1.00 0.00 C ATOM 247 CG GLN A 22 -10.467 3.626 6.671 1.00 0.00 C ATOM 248 CD GLN A 22 -11.561 2.764 6.071 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.409 1.549 5.943 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.672 3.390 5.700 1.00 0.00 N ATOM 0 H GLN A 22 -9.507 4.554 8.699 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.211 3.075 7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.847 2.445 5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.353 2.025 7.549 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.807 4.024 7.627 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.283 4.479 6.018 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.755 4.399 5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.442 2.862 5.290 1.00 0.00 H new ATOM 259 N PHE A 23 -6.404 4.388 5.790 1.00 0.00 N ATOM 260 CA PHE A 23 -5.822 5.244 4.762 1.00 0.00 C ATOM 261 C PHE A 23 -6.771 5.392 3.577 1.00 0.00 C ATOM 262 O PHE A 23 -7.801 4.721 3.503 1.00 0.00 O ATOM 263 CB PHE A 23 -4.484 4.671 4.291 1.00 0.00 C ATOM 264 CG PHE A 23 -3.453 4.583 5.380 1.00 0.00 C ATOM 265 CD1 PHE A 23 -3.448 3.514 6.262 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.488 5.567 5.521 1.00 0.00 C ATOM 267 CE1 PHE A 23 -2.501 3.431 7.265 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.538 5.489 6.522 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.544 4.418 7.394 1.00 0.00 C ATOM 0 H PHE A 23 -5.865 3.546 5.993 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.655 6.230 5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.649 3.676 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.096 5.292 3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.192 2.737 6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.478 6.405 4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.509 2.594 7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.793 6.264 6.622 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.801 4.353 8.175 1.00 0.00 H new ATOM 279 N PHE A 24 -6.416 6.275 2.650 1.00 0.00 N ATOM 280 CA PHE A 24 -7.236 6.514 1.467 1.00 0.00 C ATOM 281 C PHE A 24 -6.371 6.585 0.212 1.00 0.00 C ATOM 282 O PHE A 24 -5.530 7.474 0.073 1.00 0.00 O ATOM 283 CB PHE A 24 -8.032 7.810 1.626 1.00 0.00 C ATOM 284 CG PHE A 24 -8.571 8.346 0.330 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.632 7.722 -0.305 1.00 0.00 C ATOM 286 CD2 PHE A 24 -8.015 9.473 -0.254 1.00 0.00 C ATOM 287 CE1 PHE A 24 -10.131 8.212 -1.498 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.509 9.967 -1.446 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.567 9.336 -2.069 1.00 0.00 C ATOM 0 H PHE A 24 -5.566 6.837 2.695 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.930 5.680 1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.862 7.635 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.394 8.565 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.075 6.842 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.186 9.971 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.960 7.717 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.067 10.847 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.953 9.721 -3.001 1.00 0.00 H new ATOM 299 N CYS A 25 -6.585 5.643 -0.700 1.00 0.00 N ATOM 300 CA CYS A 25 -5.826 5.596 -1.944 1.00 0.00 C ATOM 301 C CYS A 25 -6.234 6.736 -2.874 1.00 0.00 C ATOM 302 O CYS A 25 -7.349 7.253 -2.788 1.00 0.00 O ATOM 303 CB CYS A 25 -6.036 4.252 -2.645 1.00 0.00 C ATOM 304 SG CYS A 25 -4.911 3.961 -4.048 1.00 0.00 S ATOM 0 H CYS A 25 -7.278 4.901 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.770 5.709 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.907 3.451 -1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.065 4.197 -3.001 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.646 2.691 -4.135 1.00 0.00 H new ATOM 309 N THR A 26 -5.324 7.123 -3.762 1.00 0.00 N ATOM 310 CA THR A 26 -5.588 8.201 -4.707 1.00 0.00 C ATOM 311 C THR A 26 -5.867 7.653 -6.102 1.00 0.00 C ATOM 312 O THR A 26 -6.658 8.219 -6.857 1.00 0.00 O ATOM 313 CB THR A 26 -4.406 9.185 -4.781 1.00 0.00 C ATOM 314 OG1 THR A 26 -3.194 8.475 -5.058 1.00 0.00 O ATOM 315 CG2 THR A 26 -4.261 9.956 -3.477 1.00 0.00 C ATOM 0 H THR A 26 -4.397 6.706 -3.847 1.00 0.00 H new ATOM 0 HA THR A 26 -6.469 8.730 -4.345 1.00 0.00 H new ATOM 0 HB THR A 26 -4.603 9.895 -5.585 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.447 9.108 -5.105 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.420 10.645 -3.553 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.174 10.519 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.085 9.257 -2.659 1.00 0.00 H new ATOM 323 N THR A 27 -5.212 6.547 -6.440 1.00 0.00 N ATOM 324 CA THR A 27 -5.388 5.922 -7.745 1.00 0.00 C ATOM 325 C THR A 27 -6.785 5.327 -7.886 1.00 0.00 C ATOM 326 O THR A 27 -7.575 5.761 -8.725 1.00 0.00 O ATOM 327 CB THR A 27 -4.344 4.816 -7.985 1.00 0.00 C ATOM 328 OG1 THR A 27 -3.026 5.329 -7.760 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.447 4.272 -9.402 1.00 0.00 C ATOM 0 H THR A 27 -4.554 6.065 -5.827 1.00 0.00 H new ATOM 0 HA THR A 27 -5.253 6.705 -8.491 1.00 0.00 H new ATOM 0 HB THR A 27 -4.541 4.003 -7.286 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.368 4.619 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.700 3.492 -9.548 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.442 3.855 -9.560 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.274 5.078 -10.115 1.00 0.00 H new ATOM 337 N CYS A 28 -7.084 4.331 -7.058 1.00 0.00 N ATOM 338 CA CYS A 28 -8.385 3.675 -7.089 1.00 0.00 C ATOM 339 C CYS A 28 -9.381 4.401 -6.189 1.00 0.00 C ATOM 340 O CYS A 28 -10.532 4.618 -6.567 1.00 0.00 O ATOM 341 CB CYS A 28 -8.255 2.215 -6.651 1.00 0.00 C ATOM 342 SG CYS A 28 -7.895 2.000 -4.879 1.00 0.00 S ATOM 0 H CYS A 28 -6.442 3.961 -6.357 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.756 3.708 -8.113 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.181 1.692 -6.889 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.463 1.742 -7.232 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.791 2.618 -4.582 1.00 0.00 H new ATOM 347 N GLY A 29 -8.930 4.774 -4.996 1.00 0.00 N ATOM 348 CA GLY A 29 -9.793 5.471 -4.060 1.00 0.00 C ATOM 349 C GLY A 29 -10.413 4.538 -3.039 1.00 0.00 C ATOM 350 O GLY A 29 -11.552 4.739 -2.617 1.00 0.00 O ATOM 0 H GLY A 29 -7.982 4.606 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.218 6.240 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.584 5.980 -4.610 1.00 0.00 H new ATOM 354 N GLN A 30 -9.663 3.516 -2.641 1.00 0.00 N ATOM 355 CA GLN A 30 -10.148 2.548 -1.664 1.00 0.00 C ATOM 356 C GLN A 30 -9.580 2.840 -0.280 1.00 0.00 C ATOM 357 O GLN A 30 -8.538 3.482 -0.148 1.00 0.00 O ATOM 358 CB GLN A 30 -9.774 1.128 -2.093 1.00 0.00 C ATOM 359 CG GLN A 30 -10.637 0.585 -3.220 1.00 0.00 C ATOM 360 CD GLN A 30 -12.106 0.519 -2.851 1.00 0.00 C ATOM 361 OE1 GLN A 30 -12.959 1.065 -3.552 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.410 -0.151 -1.746 1.00 0.00 N ATOM 0 H GLN A 30 -8.718 3.337 -2.980 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.234 2.631 -1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.730 1.116 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.855 0.464 -1.232 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.516 1.215 -4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.289 -0.412 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.671 -0.588 -1.195 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.382 -0.229 -1.448 1.00 0.00 H new ATOM 371 N HIS A 31 -10.272 2.365 0.751 1.00 0.00 N ATOM 372 CA HIS A 31 -9.836 2.576 2.127 1.00 0.00 C ATOM 373 C HIS A 31 -9.298 1.282 2.731 1.00 0.00 C ATOM 374 O HIS A 31 -9.637 0.188 2.280 1.00 0.00 O ATOM 375 CB HIS A 31 -10.992 3.106 2.975 1.00 0.00 C ATOM 376 CG HIS A 31 -11.570 4.391 2.465 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.317 5.244 3.250 1.00 0.00 N ATOM 378 CD2 HIS A 31 -11.505 4.967 1.242 1.00 0.00 C ATOM 379 CE1 HIS A 31 -12.688 6.288 2.531 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.207 6.145 1.309 1.00 0.00 N ATOM 0 H HIS A 31 -11.137 1.832 0.660 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.034 3.314 2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.779 2.353 3.013 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.644 3.254 3.997 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.996 4.573 0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.283 7.118 2.882 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.336 6.803 0.540 1.00 0.00 H new ATOM 389 N TYR A 32 -8.458 1.416 3.751 1.00 0.00 N ATOM 390 CA TYR A 32 -7.871 0.257 4.414 1.00 0.00 C ATOM 391 C TYR A 32 -7.415 0.611 5.826 1.00 0.00 C ATOM 392 O TYR A 32 -6.588 1.503 6.019 1.00 0.00 O ATOM 393 CB TYR A 32 -6.689 -0.276 3.603 1.00 0.00 C ATOM 394 CG TYR A 32 -7.049 -0.650 2.182 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.162 0.321 1.195 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.274 -1.974 1.828 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.491 -0.016 -0.104 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.602 -2.321 0.531 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.710 -1.338 -0.431 1.00 0.00 C ATOM 400 OH TYR A 32 -8.037 -1.678 -1.723 1.00 0.00 O ATOM 0 H TYR A 32 -8.168 2.315 4.137 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.635 -0.517 4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.903 0.479 3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.278 -1.151 4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.990 1.357 1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.191 -2.746 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.576 0.751 -0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.773 -3.356 0.272 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.157 -2.649 -1.786 1.00 0.00 H new ATOM 410 N HIS A 33 -7.960 -0.096 6.811 1.00 0.00 N ATOM 411 CA HIS A 33 -7.609 0.142 8.207 1.00 0.00 C ATOM 412 C HIS A 33 -6.132 -0.154 8.454 1.00 0.00 C ATOM 413 O HIS A 33 -5.498 -0.880 7.689 1.00 0.00 O ATOM 414 CB HIS A 33 -8.474 -0.721 9.126 1.00 0.00 C ATOM 415 CG HIS A 33 -9.932 -0.383 9.066 1.00 0.00 C ATOM 416 ND1 HIS A 33 -10.914 -1.326 8.847 1.00 0.00 N ATOM 417 CD2 HIS A 33 -10.573 0.802 9.200 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.096 -0.735 8.847 1.00 0.00 C ATOM 419 NE2 HIS A 33 -11.917 0.556 9.059 1.00 0.00 N ATOM 0 H HIS A 33 -8.646 -0.838 6.669 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.793 1.193 8.428 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.341 -1.769 8.858 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.125 -0.608 10.152 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.113 1.762 9.384 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.047 -1.225 8.699 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.657 1.257 9.110 1.00 0.00 H new ATOM 427 N GLY A 34 -5.591 0.414 9.527 1.00 0.00 N ATOM 428 CA GLY A 34 -4.193 0.200 9.855 1.00 0.00 C ATOM 429 C GLY A 34 -3.940 -1.174 10.442 1.00 0.00 C ATOM 430 O GLY A 34 -2.807 -1.656 10.444 1.00 0.00 O ATOM 0 H GLY A 34 -6.095 1.019 10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.589 0.325 8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.869 0.961 10.565 1.00 0.00 H new ATOM 434 N MET A 35 -4.996 -1.805 10.944 1.00 0.00 N ATOM 435 CA MET A 35 -4.881 -3.132 11.538 1.00 0.00 C ATOM 436 C MET A 35 -5.200 -4.216 10.513 1.00 0.00 C ATOM 437 O MET A 35 -4.548 -5.260 10.476 1.00 0.00 O ATOM 438 CB MET A 35 -5.819 -3.259 12.740 1.00 0.00 C ATOM 439 CG MET A 35 -5.869 -4.660 13.327 1.00 0.00 C ATOM 440 SD MET A 35 -4.307 -5.154 14.081 1.00 0.00 S ATOM 441 CE MET A 35 -4.269 -6.897 13.669 1.00 0.00 C ATOM 0 H MET A 35 -5.940 -1.419 10.951 1.00 0.00 H new ATOM 0 HA MET A 35 -3.852 -3.265 11.873 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.501 -2.561 13.514 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.824 -2.964 12.439 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.660 -4.708 14.075 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.129 -5.370 12.542 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.359 -7.345 14.068 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.138 -7.392 14.102 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.287 -7.015 12.586 1.00 0.00 H new ATOM 451 N CYS A 36 -6.205 -3.962 9.683 1.00 0.00 N ATOM 452 CA CYS A 36 -6.611 -4.915 8.658 1.00 0.00 C ATOM 453 C CYS A 36 -5.432 -5.288 7.765 1.00 0.00 C ATOM 454 O CYS A 36 -5.385 -6.384 7.204 1.00 0.00 O ATOM 455 CB CYS A 36 -7.743 -4.333 7.810 1.00 0.00 C ATOM 456 SG CYS A 36 -9.411 -4.696 8.446 1.00 0.00 S ATOM 0 H CYS A 36 -6.754 -3.103 9.700 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.967 -5.817 9.156 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.617 -3.252 7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.660 -4.723 6.795 1.00 0.00 H new ATOM 0 HG CYS A 36 -9.692 -3.879 9.417 1.00 0.00 H new ATOM 461 N LEU A 37 -4.480 -4.370 7.637 1.00 0.00 N ATOM 462 CA LEU A 37 -3.299 -4.602 6.812 1.00 0.00 C ATOM 463 C LEU A 37 -2.050 -4.742 7.677 1.00 0.00 C ATOM 464 O LEU A 37 -0.937 -4.858 7.163 1.00 0.00 O ATOM 465 CB LEU A 37 -3.117 -3.457 5.815 1.00 0.00 C ATOM 466 CG LEU A 37 -4.040 -3.475 4.596 1.00 0.00 C ATOM 467 CD1 LEU A 37 -5.489 -3.299 5.022 1.00 0.00 C ATOM 468 CD2 LEU A 37 -3.638 -2.391 3.607 1.00 0.00 C ATOM 0 H LEU A 37 -4.503 -3.458 8.094 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.445 -5.533 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.264 -2.515 6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.085 -3.468 5.464 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.942 -4.443 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.131 -3.314 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.772 -4.111 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.603 -2.346 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.306 -2.419 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.707 -1.416 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.613 -2.561 3.277 1.00 0.00 H new ATOM 480 N ASP A 38 -2.243 -4.734 8.991 1.00 0.00 N ATOM 481 CA ASP A 38 -1.133 -4.864 9.928 1.00 0.00 C ATOM 482 C ASP A 38 -0.113 -3.749 9.719 1.00 0.00 C ATOM 483 O ASP A 38 1.093 -3.967 9.839 1.00 0.00 O ATOM 484 CB ASP A 38 -0.457 -6.227 9.765 1.00 0.00 C ATOM 485 CG ASP A 38 0.523 -6.524 10.883 1.00 0.00 C ATOM 486 OD1 ASP A 38 0.072 -6.925 11.976 1.00 0.00 O ATOM 487 OD2 ASP A 38 1.741 -6.354 10.665 1.00 0.00 O ATOM 0 H ASP A 38 -3.158 -4.639 9.432 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.532 -4.783 10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.219 -7.006 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.066 -6.258 8.809 1.00 0.00 H new ATOM 492 N ILE A 39 -0.605 -2.555 9.406 1.00 0.00 N ATOM 493 CA ILE A 39 0.264 -1.406 9.180 1.00 0.00 C ATOM 494 C ILE A 39 0.285 -0.486 10.396 1.00 0.00 C ATOM 495 O ILE A 39 -0.715 -0.349 11.101 1.00 0.00 O ATOM 496 CB ILE A 39 -0.180 -0.598 7.947 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.230 -1.499 6.711 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.761 0.575 7.715 1.00 0.00 C ATOM 499 CD1 ILE A 39 -0.909 -0.856 5.522 1.00 0.00 C ATOM 0 H ILE A 39 -1.600 -2.358 9.303 1.00 0.00 H new ATOM 0 HA ILE A 39 1.266 -1.798 9.006 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.181 -0.206 8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.787 -1.777 6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.754 -2.421 6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.434 1.136 6.840 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.752 1.227 8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.772 0.203 7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.908 -1.551 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.937 -0.603 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.372 0.051 5.243 1.00 0.00 H new ATOM 511 N ALA A 40 1.430 0.144 10.635 1.00 0.00 N ATOM 512 CA ALA A 40 1.580 1.055 11.763 1.00 0.00 C ATOM 513 C ALA A 40 1.257 2.489 11.358 1.00 0.00 C ATOM 514 O ALA A 40 2.094 3.186 10.784 1.00 0.00 O ATOM 515 CB ALA A 40 2.991 0.969 12.327 1.00 0.00 C ATOM 0 H ALA A 40 2.268 0.040 10.062 1.00 0.00 H new ATOM 0 HA ALA A 40 0.872 0.756 12.536 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.089 1.655 13.169 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.187 -0.049 12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.709 1.240 11.553 1.00 0.00 H new ATOM 521 N VAL A 41 0.038 2.923 11.659 1.00 0.00 N ATOM 522 CA VAL A 41 -0.396 4.275 11.326 1.00 0.00 C ATOM 523 C VAL A 41 0.665 5.302 11.706 1.00 0.00 C ATOM 524 O VAL A 41 1.027 5.435 12.875 1.00 0.00 O ATOM 525 CB VAL A 41 -1.716 4.631 12.034 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.128 6.059 11.710 1.00 0.00 C ATOM 527 CG2 VAL A 41 -2.812 3.650 11.644 1.00 0.00 C ATOM 0 H VAL A 41 -0.667 2.358 12.133 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.553 4.301 10.248 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.561 4.558 13.110 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.063 6.292 12.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.351 6.747 12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.265 6.163 10.634 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.738 3.917 12.154 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.968 3.688 10.566 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.517 2.641 11.933 1.00 0.00 H new ATOM 537 N THR A 42 1.161 6.028 10.709 1.00 0.00 N ATOM 538 CA THR A 42 2.182 7.043 10.938 1.00 0.00 C ATOM 539 C THR A 42 1.828 8.347 10.231 1.00 0.00 C ATOM 540 O THR A 42 1.105 8.365 9.235 1.00 0.00 O ATOM 541 CB THR A 42 3.565 6.569 10.453 1.00 0.00 C ATOM 542 OG1 THR A 42 3.484 6.132 9.092 1.00 0.00 O ATOM 543 CG2 THR A 42 4.084 5.435 11.325 1.00 0.00 C ATOM 0 H THR A 42 0.872 5.932 9.735 1.00 0.00 H new ATOM 0 HA THR A 42 2.222 7.214 12.014 1.00 0.00 H new ATOM 0 HB THR A 42 4.258 7.408 10.524 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.368 5.834 8.791 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.062 5.116 10.964 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.172 5.779 12.355 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.390 4.596 11.281 1.00 0.00 H new ATOM 551 N PRO A 43 2.349 9.466 10.757 1.00 0.00 N ATOM 552 CA PRO A 43 2.103 10.795 10.191 1.00 0.00 C ATOM 553 C PRO A 43 2.793 10.989 8.845 1.00 0.00 C ATOM 554 O PRO A 43 2.754 12.076 8.266 1.00 0.00 O ATOM 555 CB PRO A 43 2.697 11.742 11.237 1.00 0.00 C ATOM 556 CG PRO A 43 3.734 10.932 11.935 1.00 0.00 C ATOM 557 CD PRO A 43 3.220 9.519 11.943 1.00 0.00 C ATOM 0 HA PRO A 43 1.044 10.964 9.995 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.133 12.625 10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.934 12.093 11.932 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.692 10.996 11.419 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.894 11.295 12.950 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.033 8.795 11.877 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.669 9.297 12.857 1.00 0.00 H new ATOM 565 N LEU A 44 3.423 9.930 8.350 1.00 0.00 N ATOM 566 CA LEU A 44 4.122 9.983 7.070 1.00 0.00 C ATOM 567 C LEU A 44 3.320 9.275 5.983 1.00 0.00 C ATOM 568 O LEU A 44 3.127 9.811 4.891 1.00 0.00 O ATOM 569 CB LEU A 44 5.507 9.346 7.196 1.00 0.00 C ATOM 570 CG LEU A 44 6.444 9.535 6.002 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.242 10.821 6.150 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.375 8.340 5.860 1.00 0.00 C ATOM 0 H LEU A 44 3.465 9.023 8.815 1.00 0.00 H new ATOM 0 HA LEU A 44 4.235 11.030 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.993 9.754 8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.379 8.277 7.366 1.00 0.00 H new ATOM 0 HG LEU A 44 5.840 9.608 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.903 10.940 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.559 11.669 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.836 10.777 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.034 8.492 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.973 8.235 6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.786 7.436 5.707 1.00 0.00 H new ATOM 584 N LYS A 45 2.855 8.069 6.288 1.00 0.00 N ATOM 585 CA LYS A 45 2.071 7.288 5.339 1.00 0.00 C ATOM 586 C LYS A 45 0.780 8.014 4.971 1.00 0.00 C ATOM 587 O LYS A 45 0.500 8.243 3.795 1.00 0.00 O ATOM 588 CB LYS A 45 1.745 5.913 5.925 1.00 0.00 C ATOM 589 CG LYS A 45 2.754 4.839 5.554 1.00 0.00 C ATOM 590 CD LYS A 45 2.529 3.564 6.349 1.00 0.00 C ATOM 591 CE LYS A 45 3.390 3.529 7.603 1.00 0.00 C ATOM 592 NZ LYS A 45 3.607 2.138 8.088 1.00 0.00 N ATOM 0 H LYS A 45 3.008 7.610 7.186 1.00 0.00 H new ATOM 0 HA LYS A 45 2.666 7.160 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.695 5.993 7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.757 5.606 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.681 4.622 4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.763 5.209 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.478 3.488 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.758 2.700 5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.353 3.996 7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.913 4.117 8.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.536 2.073 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.862 1.887 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.575 1.481 7.283 1.00 0.00 H new ATOM 606 N ARG A 46 0.000 8.375 5.985 1.00 0.00 N ATOM 607 CA ARG A 46 -1.260 9.075 5.768 1.00 0.00 C ATOM 608 C ARG A 46 -1.162 10.010 4.566 1.00 0.00 C ATOM 609 O ARG A 46 -2.093 10.110 3.768 1.00 0.00 O ATOM 610 CB ARG A 46 -1.647 9.871 7.016 1.00 0.00 C ATOM 611 CG ARG A 46 -2.062 8.998 8.190 1.00 0.00 C ATOM 612 CD ARG A 46 -2.193 9.811 9.468 1.00 0.00 C ATOM 613 NE ARG A 46 -3.357 10.693 9.439 1.00 0.00 N ATOM 614 CZ ARG A 46 -3.330 11.929 8.955 1.00 0.00 C ATOM 615 NH1 ARG A 46 -2.204 12.427 8.461 1.00 0.00 N ATOM 616 NH2 ARG A 46 -4.430 12.671 8.963 1.00 0.00 N ATOM 0 H ARG A 46 0.219 8.194 6.965 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.030 8.331 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.803 10.493 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.467 10.545 6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.012 8.513 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.327 8.207 8.334 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.271 9.136 10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.291 10.406 9.613 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.239 10.340 9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.356 11.860 8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.186 13.377 8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.298 12.292 9.341 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.407 13.620 8.591 1.00 0.00 H new ATOM 630 N ALA A 47 -0.028 10.693 4.444 1.00 0.00 N ATOM 631 CA ALA A 47 0.192 11.618 3.340 1.00 0.00 C ATOM 632 C ALA A 47 0.554 10.870 2.061 1.00 0.00 C ATOM 633 O ALA A 47 1.520 10.108 2.029 1.00 0.00 O ATOM 634 CB ALA A 47 1.283 12.616 3.697 1.00 0.00 C ATOM 0 H ALA A 47 0.752 10.623 5.097 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.737 12.160 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.437 13.301 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.985 13.181 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.211 12.082 3.904 1.00 0.00 H new ATOM 640 N GLY A 48 -0.227 11.093 1.009 1.00 0.00 N ATOM 641 CA GLY A 48 0.028 10.431 -0.258 1.00 0.00 C ATOM 642 C GLY A 48 0.149 8.928 -0.112 1.00 0.00 C ATOM 643 O GLY A 48 1.146 8.336 -0.526 1.00 0.00 O ATOM 0 H GLY A 48 -1.032 11.720 1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.779 10.662 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.946 10.826 -0.692 1.00 0.00 H new ATOM 647 N TRP A 49 -0.866 8.308 0.478 1.00 0.00 N ATOM 648 CA TRP A 49 -0.868 6.863 0.678 1.00 0.00 C ATOM 649 C TRP A 49 -1.377 6.142 -0.565 1.00 0.00 C ATOM 650 O TRP A 49 -2.296 6.614 -1.233 1.00 0.00 O ATOM 651 CB TRP A 49 -1.732 6.496 1.886 1.00 0.00 C ATOM 652 CG TRP A 49 -1.711 5.033 2.208 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.698 4.340 2.809 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.749 4.083 1.946 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.045 3.016 2.935 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.298 2.833 2.414 1.00 0.00 C ATOM 657 CE3 TRP A 49 -4.017 4.166 1.363 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.071 1.679 2.316 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.782 3.020 1.266 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.307 1.789 1.740 1.00 0.00 C ATOM 0 H TRP A 49 -1.699 8.783 0.827 1.00 0.00 H new ATOM 0 HA TRP A 49 0.158 6.545 0.864 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.387 7.057 2.754 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.760 6.804 1.696 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.237 4.769 3.137 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.463 2.288 3.349 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.392 5.110 0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.707 0.730 2.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.763 3.073 0.817 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.929 0.911 1.649 1.00 0.00 H new ATOM 671 N GLN A 50 -0.775 4.997 -0.867 1.00 0.00 N ATOM 672 CA GLN A 50 -1.169 4.211 -2.031 1.00 0.00 C ATOM 673 C GLN A 50 -1.443 2.762 -1.643 1.00 0.00 C ATOM 674 O GLN A 50 -0.528 2.022 -1.279 1.00 0.00 O ATOM 675 CB GLN A 50 -0.079 4.267 -3.103 1.00 0.00 C ATOM 676 CG GLN A 50 -0.204 5.460 -4.036 1.00 0.00 C ATOM 677 CD GLN A 50 0.539 5.260 -5.342 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.496 5.976 -5.641 1.00 0.00 O ATOM 679 NE2 GLN A 50 0.103 4.283 -6.129 1.00 0.00 N ATOM 0 H GLN A 50 -0.013 4.593 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.087 4.640 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.896 4.297 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.113 3.351 -3.692 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.258 5.643 -4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.180 6.349 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.693 3.714 -5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.565 4.102 -7.020 1.00 0.00 H new ATOM 688 N CYS A 51 -2.708 2.363 -1.721 1.00 0.00 N ATOM 689 CA CYS A 51 -3.103 1.002 -1.377 1.00 0.00 C ATOM 690 C CYS A 51 -2.169 -0.016 -2.024 1.00 0.00 C ATOM 691 O CYS A 51 -1.515 0.257 -3.031 1.00 0.00 O ATOM 692 CB CYS A 51 -4.545 0.741 -1.819 1.00 0.00 C ATOM 693 SG CYS A 51 -4.711 0.261 -3.568 1.00 0.00 S ATOM 0 H CYS A 51 -3.477 2.963 -2.019 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.036 0.893 -0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.968 -0.047 -1.195 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.136 1.640 -1.642 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.784 0.799 -4.066 1.00 0.00 H new ATOM 698 N PRO A 52 -2.105 -1.218 -1.434 1.00 0.00 N ATOM 699 CA PRO A 52 -1.255 -2.302 -1.936 1.00 0.00 C ATOM 700 C PRO A 52 -1.759 -2.870 -3.258 1.00 0.00 C ATOM 701 O PRO A 52 -1.130 -3.748 -3.847 1.00 0.00 O ATOM 702 CB PRO A 52 -1.340 -3.360 -0.832 1.00 0.00 C ATOM 703 CG PRO A 52 -2.643 -3.100 -0.158 1.00 0.00 C ATOM 704 CD PRO A 52 -2.857 -1.613 -0.231 1.00 0.00 C ATOM 0 HA PRO A 52 -0.240 -1.962 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.302 -4.368 -1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.508 -3.271 -0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.453 -3.636 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.622 -3.441 0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.914 -1.363 -0.318 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.483 -1.109 0.660 1.00 0.00 H new ATOM 712 N GLU A 53 -2.898 -2.362 -3.719 1.00 0.00 N ATOM 713 CA GLU A 53 -3.486 -2.820 -4.972 1.00 0.00 C ATOM 714 C GLU A 53 -3.099 -1.897 -6.124 1.00 0.00 C ATOM 715 O GLU A 53 -3.147 -2.287 -7.291 1.00 0.00 O ATOM 716 CB GLU A 53 -5.010 -2.891 -4.850 1.00 0.00 C ATOM 717 CG GLU A 53 -5.488 -3.667 -3.635 1.00 0.00 C ATOM 718 CD GLU A 53 -5.694 -5.140 -3.928 1.00 0.00 C ATOM 719 OE1 GLU A 53 -4.706 -5.818 -4.280 1.00 0.00 O ATOM 720 OE2 GLU A 53 -6.842 -5.615 -3.805 1.00 0.00 O ATOM 0 H GLU A 53 -3.431 -1.634 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.099 -3.817 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.410 -1.878 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.417 -3.354 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.761 -3.559 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.424 -3.237 -3.279 1.00 0.00 H new ATOM 727 N CYS A 54 -2.716 -0.670 -5.788 1.00 0.00 N ATOM 728 CA CYS A 54 -2.322 0.311 -6.792 1.00 0.00 C ATOM 729 C CYS A 54 -0.825 0.599 -6.712 1.00 0.00 C ATOM 730 O CYS A 54 -0.182 0.885 -7.723 1.00 0.00 O ATOM 731 CB CYS A 54 -3.112 1.608 -6.607 1.00 0.00 C ATOM 732 SG CYS A 54 -4.889 1.455 -6.979 1.00 0.00 S ATOM 0 H CYS A 54 -2.670 -0.331 -4.827 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.543 -0.104 -7.775 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.995 1.949 -5.578 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.682 2.377 -7.248 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.582 1.768 -5.924 1.00 0.00 H new ATOM 737 N LYS A 55 -0.277 0.522 -5.505 1.00 0.00 N ATOM 738 CA LYS A 55 1.144 0.772 -5.292 1.00 0.00 C ATOM 739 C LYS A 55 1.995 -0.200 -6.103 1.00 0.00 C ATOM 740 O LYS A 55 1.683 -1.387 -6.195 1.00 0.00 O ATOM 741 CB LYS A 55 1.487 0.649 -3.805 1.00 0.00 C ATOM 742 CG LYS A 55 2.975 0.509 -3.534 1.00 0.00 C ATOM 743 CD LYS A 55 3.279 0.571 -2.046 1.00 0.00 C ATOM 744 CE LYS A 55 3.263 -0.813 -1.417 1.00 0.00 C ATOM 745 NZ LYS A 55 1.876 -1.306 -1.193 1.00 0.00 N ATOM 0 H LYS A 55 -0.795 0.288 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 55 1.363 1.786 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.112 1.528 -3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.968 -0.215 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.332 -0.437 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.516 1.302 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.255 1.031 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.545 1.206 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.796 -1.511 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.796 -0.786 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.786 -1.660 -0.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.203 -0.527 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.669 -2.075 -1.862 1.00 0.00 H new ATOM 759 N VAL A 56 3.074 0.312 -6.688 1.00 0.00 N ATOM 760 CA VAL A 56 3.972 -0.511 -7.489 1.00 0.00 C ATOM 761 C VAL A 56 5.430 -0.158 -7.217 1.00 0.00 C ATOM 762 O VAL A 56 5.725 0.812 -6.518 1.00 0.00 O ATOM 763 CB VAL A 56 3.688 -0.351 -8.994 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.234 -0.676 -9.301 1.00 0.00 C ATOM 765 CG2 VAL A 56 4.037 1.057 -9.454 1.00 0.00 C ATOM 0 H VAL A 56 3.347 1.293 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 56 3.793 -1.547 -7.202 1.00 0.00 H new ATOM 0 HB VAL A 56 4.315 -1.054 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.052 -0.557 -10.369 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.022 -1.704 -9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.585 0.001 -8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.830 1.153 -10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.437 1.780 -8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.094 1.248 -9.271 1.00 0.00 H new ATOM 775 N CYS A 57 6.339 -0.950 -7.776 1.00 0.00 N ATOM 776 CA CYS A 57 7.767 -0.722 -7.595 1.00 0.00 C ATOM 777 C CYS A 57 8.178 0.633 -8.163 1.00 0.00 C ATOM 778 O CYS A 57 8.034 0.885 -9.359 1.00 0.00 O ATOM 779 CB CYS A 57 8.572 -1.835 -8.270 1.00 0.00 C ATOM 780 SG CYS A 57 10.361 -1.769 -7.932 1.00 0.00 S ATOM 0 H CYS A 57 6.111 -1.756 -8.358 1.00 0.00 H new ATOM 0 HA CYS A 57 7.977 -0.727 -6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.186 -2.799 -7.940 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.414 -1.781 -9.347 1.00 0.00 H new ATOM 0 HG CYS A 57 10.974 -2.653 -8.663 1.00 0.00 H new ATOM 785 N GLN A 58 8.689 1.501 -7.296 1.00 0.00 N ATOM 786 CA GLN A 58 9.120 2.831 -7.711 1.00 0.00 C ATOM 787 C GLN A 58 10.486 2.775 -8.386 1.00 0.00 C ATOM 788 O GLN A 58 11.084 3.807 -8.686 1.00 0.00 O ATOM 789 CB GLN A 58 9.172 3.773 -6.506 1.00 0.00 C ATOM 790 CG GLN A 58 7.803 4.247 -6.045 1.00 0.00 C ATOM 791 CD GLN A 58 7.309 5.450 -6.825 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.800 6.565 -6.645 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.333 5.230 -7.697 1.00 0.00 N ATOM 0 H GLN A 58 8.815 1.308 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 58 8.395 3.212 -8.430 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.669 3.265 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.781 4.640 -6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.087 3.432 -6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.848 4.499 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.956 4.290 -7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.960 6.001 -8.250 1.00 0.00 H new ATOM 802 N ASN A 59 10.974 1.561 -8.622 1.00 0.00 N ATOM 803 CA ASN A 59 12.271 1.370 -9.261 1.00 0.00 C ATOM 804 C ASN A 59 12.104 0.873 -10.694 1.00 0.00 C ATOM 805 O ASN A 59 12.834 1.285 -11.595 1.00 0.00 O ATOM 806 CB ASN A 59 13.117 0.378 -8.460 1.00 0.00 C ATOM 807 CG ASN A 59 13.354 0.839 -7.035 1.00 0.00 C ATOM 808 OD1 ASN A 59 13.448 2.037 -6.766 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.454 -0.112 -6.115 1.00 0.00 N ATOM 0 H ASN A 59 10.491 0.696 -8.380 1.00 0.00 H new ATOM 0 HA ASN A 59 12.780 2.333 -9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.620 -0.592 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.076 0.238 -8.958 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.615 0.137 -5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.370 -1.092 -6.384 1.00 0.00 H new ATOM 816 N CYS A 60 11.136 -0.016 -10.896 1.00 0.00 N ATOM 817 CA CYS A 60 10.871 -0.571 -12.218 1.00 0.00 C ATOM 818 C CYS A 60 9.431 -0.299 -12.643 1.00 0.00 C ATOM 819 O CYS A 60 9.108 -0.319 -13.831 1.00 0.00 O ATOM 820 CB CYS A 60 11.141 -2.076 -12.226 1.00 0.00 C ATOM 821 SG CYS A 60 9.887 -3.061 -11.345 1.00 0.00 S ATOM 0 H CYS A 60 10.522 -0.367 -10.161 1.00 0.00 H new ATOM 0 HA CYS A 60 11.539 -0.085 -12.929 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.197 -2.419 -13.259 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.116 -2.262 -11.775 1.00 0.00 H new ATOM 0 HG CYS A 60 10.440 -3.663 -10.334 1.00 0.00 H new ATOM 826 N LYS A 61 8.569 -0.045 -11.664 1.00 0.00 N ATOM 827 CA LYS A 61 7.163 0.233 -11.935 1.00 0.00 C ATOM 828 C LYS A 61 6.488 -0.969 -12.588 1.00 0.00 C ATOM 829 O LYS A 61 5.866 -0.844 -13.642 1.00 0.00 O ATOM 830 CB LYS A 61 7.029 1.460 -12.838 1.00 0.00 C ATOM 831 CG LYS A 61 7.370 2.767 -12.143 1.00 0.00 C ATOM 832 CD LYS A 61 8.819 2.797 -11.689 1.00 0.00 C ATOM 833 CE LYS A 61 9.381 4.210 -11.710 1.00 0.00 C ATOM 834 NZ LYS A 61 9.562 4.715 -13.099 1.00 0.00 N ATOM 0 H LYS A 61 8.819 -0.026 -10.675 1.00 0.00 H new ATOM 0 HA LYS A 61 6.668 0.434 -10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.681 1.337 -13.703 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.007 1.514 -13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.183 3.600 -12.821 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.715 2.904 -11.282 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.894 2.390 -10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.418 2.157 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.710 4.875 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.339 4.228 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.250 5.494 -13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.911 3.946 -13.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.651 5.058 -13.465 1.00 0.00 H new ATOM 848 N GLN A 62 6.613 -2.130 -11.953 1.00 0.00 N ATOM 849 CA GLN A 62 6.013 -3.353 -12.473 1.00 0.00 C ATOM 850 C GLN A 62 5.286 -4.114 -11.370 1.00 0.00 C ATOM 851 O GLN A 62 5.914 -4.717 -10.500 1.00 0.00 O ATOM 852 CB GLN A 62 7.085 -4.244 -13.103 1.00 0.00 C ATOM 853 CG GLN A 62 7.828 -3.582 -14.252 1.00 0.00 C ATOM 854 CD GLN A 62 8.679 -4.561 -15.037 1.00 0.00 C ATOM 855 OE1 GLN A 62 8.802 -5.729 -14.668 1.00 0.00 O ATOM 856 NE2 GLN A 62 9.272 -4.088 -16.127 1.00 0.00 N ATOM 0 H GLN A 62 7.124 -2.249 -11.078 1.00 0.00 H new ATOM 0 HA GLN A 62 5.287 -3.075 -13.237 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.803 -4.533 -12.335 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.618 -5.161 -13.463 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.108 -3.113 -14.923 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.463 -2.788 -13.860 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.142 -3.113 -16.396 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.857 -4.700 -16.696 1.00 0.00 H new ATOM 865 N SER A 63 3.957 -4.082 -11.412 1.00 0.00 N ATOM 866 CA SER A 63 3.144 -4.766 -10.413 1.00 0.00 C ATOM 867 C SER A 63 3.028 -6.253 -10.733 1.00 0.00 C ATOM 868 O SER A 63 2.892 -6.641 -11.893 1.00 0.00 O ATOM 869 CB SER A 63 1.751 -4.137 -10.342 1.00 0.00 C ATOM 870 OG SER A 63 0.937 -4.579 -11.414 1.00 0.00 O ATOM 0 H SER A 63 3.421 -3.590 -12.127 1.00 0.00 H new ATOM 0 HA SER A 63 3.633 -4.658 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.280 -4.395 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.837 -3.051 -10.370 1.00 0.00 H new ATOM 0 HG SER A 63 0.052 -4.164 -11.345 1.00 0.00 H new ATOM 876 N GLY A 64 3.082 -7.081 -9.695 1.00 0.00 N ATOM 877 CA GLY A 64 2.982 -8.517 -9.884 1.00 0.00 C ATOM 878 C GLY A 64 3.514 -9.297 -8.699 1.00 0.00 C ATOM 879 O GLY A 64 2.791 -10.088 -8.094 1.00 0.00 O ATOM 0 H GLY A 64 3.193 -6.783 -8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.939 -8.786 -10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.534 -8.802 -10.780 1.00 0.00 H new ATOM 883 N GLU A 65 4.782 -9.075 -8.367 1.00 0.00 N ATOM 884 CA GLU A 65 5.410 -9.767 -7.248 1.00 0.00 C ATOM 885 C GLU A 65 5.133 -9.039 -5.935 1.00 0.00 C ATOM 886 O GLU A 65 5.575 -7.908 -5.734 1.00 0.00 O ATOM 887 CB GLU A 65 6.920 -9.881 -7.472 1.00 0.00 C ATOM 888 CG GLU A 65 7.313 -11.013 -8.406 1.00 0.00 C ATOM 889 CD GLU A 65 6.448 -11.069 -9.650 1.00 0.00 C ATOM 890 OE1 GLU A 65 6.474 -10.097 -10.434 1.00 0.00 O ATOM 891 OE2 GLU A 65 5.745 -12.084 -9.840 1.00 0.00 O ATOM 0 H GLU A 65 5.394 -8.422 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 65 4.983 -10.768 -7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.290 -8.940 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.411 -10.028 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.356 -10.892 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.239 -11.961 -7.873 1.00 0.00 H new ATOM 898 N ASP A 66 4.399 -9.697 -5.045 1.00 0.00 N ATOM 899 CA ASP A 66 4.062 -9.115 -3.751 1.00 0.00 C ATOM 900 C ASP A 66 5.050 -9.565 -2.679 1.00 0.00 C ATOM 901 O ASP A 66 5.662 -8.741 -1.999 1.00 0.00 O ATOM 902 CB ASP A 66 2.640 -9.505 -3.346 1.00 0.00 C ATOM 903 CG ASP A 66 1.995 -8.478 -2.437 1.00 0.00 C ATOM 904 OD1 ASP A 66 1.460 -7.477 -2.958 1.00 0.00 O ATOM 905 OD2 ASP A 66 2.025 -8.675 -1.203 1.00 0.00 O ATOM 0 H ASP A 66 4.026 -10.634 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 66 4.121 -8.030 -3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.031 -9.627 -4.242 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.661 -10.471 -2.841 1.00 0.00 H new ATOM 910 N SER A 67 5.201 -10.877 -2.534 1.00 0.00 N ATOM 911 CA SER A 67 6.111 -11.437 -1.541 1.00 0.00 C ATOM 912 C SER A 67 7.486 -10.783 -1.635 1.00 0.00 C ATOM 913 O SER A 67 7.968 -10.182 -0.674 1.00 0.00 O ATOM 914 CB SER A 67 6.239 -12.950 -1.732 1.00 0.00 C ATOM 915 OG SER A 67 7.248 -13.485 -0.893 1.00 0.00 O ATOM 0 H SER A 67 4.705 -11.573 -3.091 1.00 0.00 H new ATOM 0 HA SER A 67 5.699 -11.236 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.286 -13.430 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.473 -13.170 -2.774 1.00 0.00 H new ATOM 0 HG SER A 67 7.310 -14.453 -1.032 1.00 0.00 H new ATOM 921 N LYS A 68 8.113 -10.904 -2.800 1.00 0.00 N ATOM 922 CA LYS A 68 9.433 -10.324 -3.023 1.00 0.00 C ATOM 923 C LYS A 68 9.411 -8.816 -2.792 1.00 0.00 C ATOM 924 O LYS A 68 10.316 -8.261 -2.169 1.00 0.00 O ATOM 925 CB LYS A 68 9.912 -10.626 -4.444 1.00 0.00 C ATOM 926 CG LYS A 68 10.116 -12.106 -4.716 1.00 0.00 C ATOM 927 CD LYS A 68 10.062 -12.413 -6.203 1.00 0.00 C ATOM 928 CE LYS A 68 10.107 -13.911 -6.465 1.00 0.00 C ATOM 929 NZ LYS A 68 10.557 -14.218 -7.851 1.00 0.00 N ATOM 0 H LYS A 68 7.729 -11.399 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 68 10.125 -10.773 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.186 -10.231 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.850 -10.100 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.079 -12.421 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.349 -12.681 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.150 -11.995 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.899 -11.929 -6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.781 -14.385 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.118 -14.338 -6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.574 -15.249 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.900 -13.788 -8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.511 -13.833 -7.999 1.00 0.00 H new ATOM 943 N MET A 69 8.371 -8.160 -3.296 1.00 0.00 N ATOM 944 CA MET A 69 8.231 -6.717 -3.142 1.00 0.00 C ATOM 945 C MET A 69 8.330 -6.315 -1.673 1.00 0.00 C ATOM 946 O MET A 69 7.417 -6.569 -0.887 1.00 0.00 O ATOM 947 CB MET A 69 6.895 -6.248 -3.721 1.00 0.00 C ATOM 948 CG MET A 69 6.630 -4.765 -3.515 1.00 0.00 C ATOM 949 SD MET A 69 5.110 -4.214 -4.313 1.00 0.00 S ATOM 950 CE MET A 69 5.768 -3.169 -5.610 1.00 0.00 C ATOM 0 H MET A 69 7.613 -8.605 -3.814 1.00 0.00 H new ATOM 0 HA MET A 69 9.044 -6.238 -3.688 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.874 -6.468 -4.788 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.089 -6.820 -3.262 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.572 -4.555 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.470 -4.192 -3.907 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.122 -3.226 -6.486 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.813 -2.138 -5.259 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.770 -3.506 -5.876 1.00 0.00 H new ATOM 960 N LEU A 70 9.444 -5.688 -1.311 1.00 0.00 N ATOM 961 CA LEU A 70 9.663 -5.251 0.064 1.00 0.00 C ATOM 962 C LEU A 70 8.965 -3.921 0.330 1.00 0.00 C ATOM 963 O LEU A 70 9.354 -2.885 -0.208 1.00 0.00 O ATOM 964 CB LEU A 70 11.160 -5.119 0.345 1.00 0.00 C ATOM 965 CG LEU A 70 11.884 -6.405 0.745 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.370 -6.300 0.437 1.00 0.00 C ATOM 967 CD2 LEU A 70 11.664 -6.705 2.221 1.00 0.00 C ATOM 0 H LEU A 70 10.209 -5.471 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 70 9.239 -6.002 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.642 -4.716 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.297 -4.386 1.140 1.00 0.00 H new ATOM 0 HG LEU A 70 11.470 -7.228 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.868 -7.225 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.509 -6.134 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.799 -5.466 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.187 -7.624 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.050 -5.881 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.598 -6.825 2.413 1.00 0.00 H new ATOM 979 N VAL A 71 7.932 -3.958 1.167 1.00 0.00 N ATOM 980 CA VAL A 71 7.182 -2.755 1.508 1.00 0.00 C ATOM 981 C VAL A 71 7.772 -2.068 2.734 1.00 0.00 C ATOM 982 O VAL A 71 7.684 -2.582 3.850 1.00 0.00 O ATOM 983 CB VAL A 71 5.699 -3.076 1.777 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.944 -1.818 2.176 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.065 -3.724 0.556 1.00 0.00 C ATOM 0 H VAL A 71 7.596 -4.808 1.621 1.00 0.00 H new ATOM 0 HA VAL A 71 7.252 -2.085 0.651 1.00 0.00 H new ATOM 0 HB VAL A 71 5.642 -3.782 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.899 -2.065 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.385 -1.401 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.006 -1.086 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.018 -3.944 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.132 -3.044 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.591 -4.650 0.321 1.00 0.00 H new ATOM 995 N CYS A 72 8.374 -0.903 2.520 1.00 0.00 N ATOM 996 CA CYS A 72 8.979 -0.144 3.608 1.00 0.00 C ATOM 997 C CYS A 72 7.965 0.123 4.716 1.00 0.00 C ATOM 998 O CYS A 72 6.851 0.579 4.456 1.00 0.00 O ATOM 999 CB CYS A 72 9.538 1.181 3.083 1.00 0.00 C ATOM 1000 SG CYS A 72 10.384 2.183 4.347 1.00 0.00 S ATOM 0 H CYS A 72 8.456 -0.464 1.603 1.00 0.00 H new ATOM 0 HA CYS A 72 9.794 -0.737 4.022 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.236 0.973 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.721 1.765 2.658 1.00 0.00 H new ATOM 0 HG CYS A 72 11.176 3.035 3.767 1.00 0.00 H new ATOM 1005 N ASP A 73 8.358 -0.165 5.952 1.00 0.00 N ATOM 1006 CA ASP A 73 7.485 0.045 7.101 1.00 0.00 C ATOM 1007 C ASP A 73 7.510 1.505 7.543 1.00 0.00 C ATOM 1008 O ASP A 73 7.125 1.831 8.666 1.00 0.00 O ATOM 1009 CB ASP A 73 7.905 -0.860 8.260 1.00 0.00 C ATOM 1010 CG ASP A 73 7.257 -2.229 8.190 1.00 0.00 C ATOM 1011 OD1 ASP A 73 6.099 -2.314 7.730 1.00 0.00 O ATOM 1012 OD2 ASP A 73 7.908 -3.214 8.594 1.00 0.00 O ATOM 0 H ASP A 73 9.276 -0.545 6.184 1.00 0.00 H new ATOM 0 HA ASP A 73 6.467 -0.208 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.989 -0.974 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.640 -0.384 9.204 1.00 0.00 H new ATOM 1017 N THR A 74 7.968 2.380 6.654 1.00 0.00 N ATOM 1018 CA THR A 74 8.047 3.804 6.953 1.00 0.00 C ATOM 1019 C THR A 74 7.248 4.623 5.945 1.00 0.00 C ATOM 1020 O THR A 74 6.322 5.347 6.312 1.00 0.00 O ATOM 1021 CB THR A 74 9.506 4.298 6.957 1.00 0.00 C ATOM 1022 OG1 THR A 74 10.272 3.553 7.910 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.574 5.781 7.291 1.00 0.00 C ATOM 0 H THR A 74 8.290 2.127 5.720 1.00 0.00 H new ATOM 0 HA THR A 74 7.622 3.941 7.947 1.00 0.00 H new ATOM 0 HB THR A 74 9.921 4.147 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.151 3.972 8.022 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.614 6.107 7.288 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.014 6.348 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.143 5.952 8.277 1.00 0.00 H new ATOM 1031 N CYS A 75 7.611 4.503 4.672 1.00 0.00 N ATOM 1032 CA CYS A 75 6.928 5.231 3.610 1.00 0.00 C ATOM 1033 C CYS A 75 5.910 4.339 2.906 1.00 0.00 C ATOM 1034 O CYS A 75 4.799 4.770 2.597 1.00 0.00 O ATOM 1035 CB CYS A 75 7.942 5.765 2.596 1.00 0.00 C ATOM 1036 SG CYS A 75 8.866 4.467 1.714 1.00 0.00 S ATOM 0 H CYS A 75 8.375 3.908 4.351 1.00 0.00 H new ATOM 0 HA CYS A 75 6.398 6.070 4.061 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.419 6.383 1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.650 6.413 3.113 1.00 0.00 H new ATOM 0 HG CYS A 75 9.528 3.747 2.571 1.00 0.00 H new ATOM 1041 N ASP A 76 6.297 3.093 2.656 1.00 0.00 N ATOM 1042 CA ASP A 76 5.419 2.138 1.990 1.00 0.00 C ATOM 1043 C ASP A 76 5.306 2.451 0.501 1.00 0.00 C ATOM 1044 O ASP A 76 4.206 2.556 -0.041 1.00 0.00 O ATOM 1045 CB ASP A 76 4.031 2.154 2.633 1.00 0.00 C ATOM 1046 CG ASP A 76 3.300 0.837 2.467 1.00 0.00 C ATOM 1047 OD1 ASP A 76 2.933 0.502 1.321 1.00 0.00 O ATOM 1048 OD2 ASP A 76 3.097 0.139 3.482 1.00 0.00 O ATOM 0 H ASP A 76 7.213 2.721 2.905 1.00 0.00 H new ATOM 0 HA ASP A 76 5.852 1.144 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.128 2.381 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.438 2.954 2.190 1.00 0.00 H new ATOM 1053 N LYS A 77 6.452 2.600 -0.156 1.00 0.00 N ATOM 1054 CA LYS A 77 6.483 2.901 -1.582 1.00 0.00 C ATOM 1055 C LYS A 77 6.490 1.619 -2.408 1.00 0.00 C ATOM 1056 O LYS A 77 5.774 1.506 -3.403 1.00 0.00 O ATOM 1057 CB LYS A 77 7.715 3.744 -1.919 1.00 0.00 C ATOM 1058 CG LYS A 77 7.569 5.210 -1.549 1.00 0.00 C ATOM 1059 CD LYS A 77 8.340 6.105 -2.504 1.00 0.00 C ATOM 1060 CE LYS A 77 7.951 7.566 -2.335 1.00 0.00 C ATOM 1061 NZ LYS A 77 8.859 8.473 -3.091 1.00 0.00 N ATOM 0 H LYS A 77 7.372 2.517 0.277 1.00 0.00 H new ATOM 0 HA LYS A 77 5.584 3.467 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.580 3.331 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.917 3.666 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.515 5.486 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.928 5.367 -0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.410 5.990 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.149 5.793 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.926 7.711 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.974 7.828 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.561 9.459 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.833 8.354 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.818 8.240 -4.104 1.00 0.00 H new ATOM 1075 N GLY A 78 7.302 0.653 -1.989 1.00 0.00 N ATOM 1076 CA GLY A 78 7.385 -0.608 -2.701 1.00 0.00 C ATOM 1077 C GLY A 78 8.674 -0.748 -3.485 1.00 0.00 C ATOM 1078 O GLY A 78 8.951 0.046 -4.385 1.00 0.00 O ATOM 0 H GLY A 78 7.904 0.722 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.306 -1.429 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.538 -0.693 -3.382 1.00 0.00 H new ATOM 1082 N TYR A 79 9.466 -1.758 -3.144 1.00 0.00 N ATOM 1083 CA TYR A 79 10.736 -1.996 -3.820 1.00 0.00 C ATOM 1084 C TYR A 79 11.050 -3.488 -3.879 1.00 0.00 C ATOM 1085 O TYR A 79 11.119 -4.161 -2.850 1.00 0.00 O ATOM 1086 CB TYR A 79 11.866 -1.254 -3.105 1.00 0.00 C ATOM 1087 CG TYR A 79 11.571 0.210 -2.865 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.558 1.118 -3.916 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.304 0.684 -1.586 1.00 0.00 C ATOM 1090 CE1 TYR A 79 11.291 2.456 -3.700 1.00 0.00 C ATOM 1091 CE2 TYR A 79 11.034 2.020 -1.361 1.00 0.00 C ATOM 1092 CZ TYR A 79 11.029 2.902 -2.421 1.00 0.00 C ATOM 1093 OH TYR A 79 10.760 4.234 -2.202 1.00 0.00 O ATOM 0 H TYR A 79 9.251 -2.425 -2.403 1.00 0.00 H new ATOM 0 HA TYR A 79 10.652 -1.620 -4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.060 -1.739 -2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.778 -1.340 -3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.760 0.772 -4.919 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.308 -0.004 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.287 3.149 -4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.828 2.372 -0.361 1.00 0.00 H new ATOM 0 HH TYR A 79 10.596 4.382 -1.247 1.00 0.00 H new ATOM 1103 N HIS A 80 11.240 -3.999 -5.092 1.00 0.00 N ATOM 1104 CA HIS A 80 11.549 -5.411 -5.287 1.00 0.00 C ATOM 1105 C HIS A 80 12.971 -5.724 -4.833 1.00 0.00 C ATOM 1106 O HIS A 80 13.902 -4.963 -5.100 1.00 0.00 O ATOM 1107 CB HIS A 80 11.374 -5.794 -6.757 1.00 0.00 C ATOM 1108 CG HIS A 80 9.990 -5.557 -7.277 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.731 -5.153 -8.570 1.00 0.00 N ATOM 1110 CD2 HIS A 80 8.784 -5.672 -6.672 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.426 -5.027 -8.736 1.00 0.00 C ATOM 1112 NE2 HIS A 80 7.829 -5.337 -7.599 1.00 0.00 N ATOM 0 H HIS A 80 11.185 -3.456 -5.954 1.00 0.00 H new ATOM 0 HA HIS A 80 10.857 -5.996 -4.682 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.082 -5.224 -7.359 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.625 -6.847 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.607 -5.972 -5.650 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.932 -4.722 -9.647 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.822 -5.329 -7.437 1.00 0.00 H new ATOM 1120 N THR A 81 13.133 -6.849 -4.144 1.00 0.00 N ATOM 1121 CA THR A 81 14.441 -7.262 -3.651 1.00 0.00 C ATOM 1122 C THR A 81 15.511 -7.094 -4.724 1.00 0.00 C ATOM 1123 O THR A 81 16.583 -6.546 -4.466 1.00 0.00 O ATOM 1124 CB THR A 81 14.427 -8.729 -3.181 1.00 0.00 C ATOM 1125 OG1 THR A 81 13.853 -9.562 -4.194 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.638 -8.875 -1.889 1.00 0.00 C ATOM 0 H THR A 81 12.374 -7.491 -3.915 1.00 0.00 H new ATOM 0 HA THR A 81 14.677 -6.619 -2.803 1.00 0.00 H new ATOM 0 HB THR A 81 15.456 -9.039 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.849 -10.493 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.642 -9.919 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.095 -8.262 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.611 -8.549 -2.051 1.00 0.00 H new ATOM 1134 N PHE A 82 15.214 -7.570 -5.929 1.00 0.00 N ATOM 1135 CA PHE A 82 16.151 -7.472 -7.042 1.00 0.00 C ATOM 1136 C PHE A 82 16.291 -6.027 -7.510 1.00 0.00 C ATOM 1137 O PHE A 82 17.297 -5.652 -8.113 1.00 0.00 O ATOM 1138 CB PHE A 82 15.689 -8.354 -8.204 1.00 0.00 C ATOM 1139 CG PHE A 82 14.221 -8.236 -8.499 1.00 0.00 C ATOM 1140 CD1 PHE A 82 13.749 -7.255 -9.356 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.312 -9.107 -7.919 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.399 -7.145 -9.628 1.00 0.00 C ATOM 1143 CE2 PHE A 82 11.961 -9.002 -8.187 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.503 -8.020 -9.044 1.00 0.00 C ATOM 0 H PHE A 82 14.332 -8.027 -6.159 1.00 0.00 H new ATOM 0 HA PHE A 82 17.125 -7.819 -6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.254 -8.089 -9.098 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.923 -9.394 -7.976 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.444 -6.569 -9.817 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.664 -9.877 -7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.044 -6.375 -10.297 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.264 -9.687 -7.727 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.448 -7.936 -9.257 1.00 0.00 H new ATOM 1154 N CYS A 83 15.275 -5.219 -7.228 1.00 0.00 N ATOM 1155 CA CYS A 83 15.282 -3.814 -7.620 1.00 0.00 C ATOM 1156 C CYS A 83 15.955 -2.956 -6.553 1.00 0.00 C ATOM 1157 O CYS A 83 15.737 -1.745 -6.486 1.00 0.00 O ATOM 1158 CB CYS A 83 13.854 -3.323 -7.860 1.00 0.00 C ATOM 1159 SG CYS A 83 13.103 -3.941 -9.400 1.00 0.00 S ATOM 0 H CYS A 83 14.435 -5.513 -6.729 1.00 0.00 H new ATOM 0 HA CYS A 83 15.850 -3.723 -8.546 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.231 -3.625 -7.018 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.855 -2.233 -7.881 1.00 0.00 H new ATOM 0 HG CYS A 83 13.257 -5.230 -9.471 1.00 0.00 H new ATOM 1164 N LEU A 84 16.774 -3.590 -5.721 1.00 0.00 N ATOM 1165 CA LEU A 84 17.480 -2.884 -4.657 1.00 0.00 C ATOM 1166 C LEU A 84 18.982 -2.867 -4.918 1.00 0.00 C ATOM 1167 O LEU A 84 19.563 -3.874 -5.323 1.00 0.00 O ATOM 1168 CB LEU A 84 17.194 -3.542 -3.305 1.00 0.00 C ATOM 1169 CG LEU A 84 15.765 -3.399 -2.779 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.547 -4.303 -1.576 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.472 -1.950 -2.419 1.00 0.00 C ATOM 0 H LEU A 84 16.966 -4.591 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 84 17.121 -1.855 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.427 -4.604 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.876 -3.120 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 84 15.076 -3.703 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.525 -4.188 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.715 -5.340 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.244 -4.029 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.451 -1.867 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.168 -1.619 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.587 -1.325 -3.304 1.00 0.00 H new ATOM 1183 N GLN A 85 19.606 -1.717 -4.682 1.00 0.00 N ATOM 1184 CA GLN A 85 21.041 -1.570 -4.891 1.00 0.00 C ATOM 1185 C GLN A 85 21.745 -1.193 -3.592 1.00 0.00 C ATOM 1186 O GLN A 85 21.665 -0.059 -3.120 1.00 0.00 O ATOM 1187 CB GLN A 85 21.316 -0.510 -5.960 1.00 0.00 C ATOM 1188 CG GLN A 85 22.583 -0.768 -6.760 1.00 0.00 C ATOM 1189 CD GLN A 85 23.150 0.496 -7.377 1.00 0.00 C ATOM 1190 OE1 GLN A 85 22.916 1.600 -6.886 1.00 0.00 O ATOM 1191 NE2 GLN A 85 23.901 0.339 -8.461 1.00 0.00 N ATOM 0 H GLN A 85 19.140 -0.874 -4.346 1.00 0.00 H new ATOM 0 HA GLN A 85 21.433 -2.529 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.468 -0.466 -6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 85 21.391 0.466 -5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 85 23.333 -1.219 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 85 22.370 -1.489 -7.549 1.00 0.00 H new ATOM 0 HE21 GLN A 85 24.069 -0.595 -8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 85 24.310 1.153 -8.920 1.00 0.00 H new ATOM 1200 N PRO A 86 22.451 -2.166 -2.997 1.00 0.00 N ATOM 1201 CA PRO A 86 22.554 -3.520 -3.549 1.00 0.00 C ATOM 1202 C PRO A 86 21.237 -4.285 -3.456 1.00 0.00 C ATOM 1203 O PRO A 86 20.264 -3.797 -2.882 1.00 0.00 O ATOM 1204 CB PRO A 86 23.619 -4.182 -2.671 1.00 0.00 C ATOM 1205 CG PRO A 86 23.566 -3.435 -1.383 1.00 0.00 C ATOM 1206 CD PRO A 86 23.204 -2.019 -1.740 1.00 0.00 C ATOM 0 HA PRO A 86 22.803 -3.509 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.408 -5.241 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.606 -4.114 -3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.826 -3.869 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.526 -3.475 -0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.601 -1.550 -0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.091 -1.399 -1.873 1.00 0.00 H new ATOM 1214 N VAL A 87 21.215 -5.486 -4.025 1.00 0.00 N ATOM 1215 CA VAL A 87 20.018 -6.319 -4.005 1.00 0.00 C ATOM 1216 C VAL A 87 19.930 -7.124 -2.713 1.00 0.00 C ATOM 1217 O VAL A 87 20.948 -7.480 -2.121 1.00 0.00 O ATOM 1218 CB VAL A 87 19.989 -7.288 -5.202 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.079 -8.471 -4.910 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.544 -6.562 -6.463 1.00 0.00 C ATOM 0 H VAL A 87 22.012 -5.904 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 87 19.163 -5.646 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 87 20.998 -7.668 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.071 -9.144 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 87 19.446 -9.004 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.067 -8.113 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.529 -7.261 -7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.545 -6.153 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.239 -5.751 -6.680 1.00 0.00 H new ATOM 1230 N MET A 88 18.705 -7.407 -2.281 1.00 0.00 N ATOM 1231 CA MET A 88 18.484 -8.171 -1.059 1.00 0.00 C ATOM 1232 C MET A 88 18.496 -9.670 -1.345 1.00 0.00 C ATOM 1233 O MET A 88 17.938 -10.126 -2.344 1.00 0.00 O ATOM 1234 CB MET A 88 17.154 -7.773 -0.417 1.00 0.00 C ATOM 1235 CG MET A 88 17.211 -6.449 0.328 1.00 0.00 C ATOM 1236 SD MET A 88 18.107 -6.568 1.888 1.00 0.00 S ATOM 1237 CE MET A 88 16.795 -6.232 3.059 1.00 0.00 C ATOM 0 H MET A 88 17.851 -7.119 -2.759 1.00 0.00 H new ATOM 0 HA MET A 88 19.295 -7.945 -0.367 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.390 -7.712 -1.192 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.845 -8.557 0.275 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.689 -5.701 -0.305 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.196 -6.102 0.522 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.063 -5.369 3.668 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.871 -6.023 2.520 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.651 -7.100 3.703 1.00 0.00 H new ATOM 1247 N LYS A 89 19.135 -10.431 -0.464 1.00 0.00 N ATOM 1248 CA LYS A 89 19.219 -11.878 -0.620 1.00 0.00 C ATOM 1249 C LYS A 89 18.031 -12.567 0.043 1.00 0.00 C ATOM 1250 O LYS A 89 17.479 -13.528 -0.493 1.00 0.00 O ATOM 1251 CB LYS A 89 20.526 -12.402 -0.021 1.00 0.00 C ATOM 1252 CG LYS A 89 21.767 -11.758 -0.613 1.00 0.00 C ATOM 1253 CD LYS A 89 22.049 -12.274 -2.014 1.00 0.00 C ATOM 1254 CE LYS A 89 22.753 -11.227 -2.863 1.00 0.00 C ATOM 1255 NZ LYS A 89 24.181 -11.066 -2.472 1.00 0.00 N ATOM 0 H LYS A 89 19.603 -10.069 0.367 1.00 0.00 H new ATOM 0 HA LYS A 89 19.199 -12.105 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.517 -12.231 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.579 -13.480 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.638 -10.676 -0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 89 22.624 -11.960 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.666 -13.171 -1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 89 21.113 -12.562 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 89 22.694 -11.511 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.239 -10.271 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 24.626 -10.344 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 24.237 -10.770 -1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 24.678 -11.971 -2.593 1.00 0.00 H new ATOM 1269 N SER A 90 17.640 -12.068 1.212 1.00 0.00 N ATOM 1270 CA SER A 90 16.518 -12.638 1.950 1.00 0.00 C ATOM 1271 C SER A 90 15.589 -11.540 2.458 1.00 0.00 C ATOM 1272 O SER A 90 15.875 -10.351 2.311 1.00 0.00 O ATOM 1273 CB SER A 90 17.026 -13.476 3.124 1.00 0.00 C ATOM 1274 OG SER A 90 17.823 -12.697 4.000 1.00 0.00 O ATOM 0 H SER A 90 18.083 -11.271 1.668 1.00 0.00 H new ATOM 0 HA SER A 90 15.956 -13.280 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 90 16.180 -13.892 3.671 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.608 -14.318 2.749 1.00 0.00 H new ATOM 0 HG SER A 90 18.134 -13.255 4.743 1.00 0.00 H new ATOM 1280 N VAL A 91 14.474 -11.947 3.056 1.00 0.00 N ATOM 1281 CA VAL A 91 13.502 -10.999 3.588 1.00 0.00 C ATOM 1282 C VAL A 91 13.644 -10.855 5.099 1.00 0.00 C ATOM 1283 O VAL A 91 13.469 -11.809 5.857 1.00 0.00 O ATOM 1284 CB VAL A 91 12.060 -11.429 3.257 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.063 -10.414 3.795 1.00 0.00 C ATOM 1286 CG2 VAL A 91 11.890 -11.612 1.756 1.00 0.00 C ATOM 0 H VAL A 91 14.221 -12.927 3.184 1.00 0.00 H new ATOM 0 HA VAL A 91 13.705 -10.038 3.114 1.00 0.00 H new ATOM 0 HB VAL A 91 11.865 -12.386 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.050 -10.735 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.169 -10.338 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.254 -9.441 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.866 -11.916 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.104 -10.672 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.578 -12.380 1.403 1.00 0.00 H new ATOM 1296 N PRO A 92 13.968 -9.634 5.549 1.00 0.00 N ATOM 1297 CA PRO A 92 14.139 -9.335 6.974 1.00 0.00 C ATOM 1298 C PRO A 92 12.820 -9.374 7.737 1.00 0.00 C ATOM 1299 O PRO A 92 11.825 -8.789 7.308 1.00 0.00 O ATOM 1300 CB PRO A 92 14.715 -7.917 6.972 1.00 0.00 C ATOM 1301 CG PRO A 92 14.246 -7.319 5.691 1.00 0.00 C ATOM 1302 CD PRO A 92 14.191 -8.450 4.702 1.00 0.00 C ATOM 0 HA PRO A 92 14.775 -10.067 7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.360 -7.345 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.804 -7.932 7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.266 -6.858 5.811 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.927 -6.538 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.385 -8.314 3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.117 -8.532 4.133 1.00 0.00 H new ATOM 1310 N THR A 93 12.818 -10.066 8.872 1.00 0.00 N ATOM 1311 CA THR A 93 11.621 -10.182 9.695 1.00 0.00 C ATOM 1312 C THR A 93 11.771 -9.402 10.997 1.00 0.00 C ATOM 1313 O THR A 93 11.403 -9.885 12.066 1.00 0.00 O ATOM 1314 CB THR A 93 11.305 -11.653 10.025 1.00 0.00 C ATOM 1315 OG1 THR A 93 12.396 -12.238 10.745 1.00 0.00 O ATOM 1316 CG2 THR A 93 11.045 -12.448 8.754 1.00 0.00 C ATOM 0 H THR A 93 13.633 -10.555 9.242 1.00 0.00 H new ATOM 0 HA THR A 93 10.798 -9.763 9.116 1.00 0.00 H new ATOM 0 HB THR A 93 10.407 -11.680 10.642 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.187 -13.173 10.953 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.824 -13.484 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.196 -12.017 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.928 -12.413 8.116 1.00 0.00 H new ATOM 1324 N ASN A 94 12.314 -8.193 10.897 1.00 0.00 N ATOM 1325 CA ASN A 94 12.512 -7.346 12.068 1.00 0.00 C ATOM 1326 C ASN A 94 11.996 -5.933 11.811 1.00 0.00 C ATOM 1327 O ASN A 94 11.201 -5.402 12.585 1.00 0.00 O ATOM 1328 CB ASN A 94 13.995 -7.299 12.444 1.00 0.00 C ATOM 1329 CG ASN A 94 14.830 -6.567 11.411 1.00 0.00 C ATOM 1330 OD1 ASN A 94 15.319 -5.465 11.659 1.00 0.00 O ATOM 1331 ND2 ASN A 94 14.996 -7.179 10.244 1.00 0.00 N ATOM 0 H ASN A 94 12.624 -7.778 10.018 1.00 0.00 H new ATOM 0 HA ASN A 94 11.947 -7.775 12.896 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.107 -6.809 13.411 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.371 -8.316 12.557 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.548 -6.736 9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.572 -8.093 10.082 1.00 0.00 H new ATOM 1338 N GLY A 95 12.454 -5.331 10.718 1.00 0.00 N ATOM 1339 CA GLY A 95 12.028 -3.986 10.378 1.00 0.00 C ATOM 1340 C GLY A 95 12.876 -3.368 9.284 1.00 0.00 C ATOM 1341 O GLY A 95 13.851 -2.670 9.565 1.00 0.00 O ATOM 0 H GLY A 95 13.113 -5.751 10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.987 -4.008 10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.074 -3.358 11.268 1.00 0.00 H new ATOM 1345 N TRP A 96 12.507 -3.626 8.035 1.00 0.00 N ATOM 1346 CA TRP A 96 13.243 -3.091 6.895 1.00 0.00 C ATOM 1347 C TRP A 96 12.952 -1.606 6.708 1.00 0.00 C ATOM 1348 O TRP A 96 11.847 -1.140 6.984 1.00 0.00 O ATOM 1349 CB TRP A 96 12.882 -3.859 5.623 1.00 0.00 C ATOM 1350 CG TRP A 96 13.777 -3.541 4.463 1.00 0.00 C ATOM 1351 CD1 TRP A 96 15.034 -4.026 4.240 1.00 0.00 C ATOM 1352 CD2 TRP A 96 13.483 -2.666 3.368 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.539 -3.506 3.074 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.607 -2.669 2.519 1.00 0.00 C ATOM 1355 CE3 TRP A 96 12.379 -1.882 3.022 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.657 -1.917 1.348 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 12.431 -1.136 1.860 1.00 0.00 C ATOM 1358 CH2 TRP A 96 13.562 -1.159 1.034 1.00 0.00 C ATOM 0 H TRP A 96 11.703 -4.202 7.786 1.00 0.00 H new ATOM 0 HA TRP A 96 14.308 -3.211 7.093 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.930 -4.929 5.827 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.851 -3.632 5.350 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.555 -4.717 4.886 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.459 -3.710 2.684 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.501 -1.860 3.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.529 -1.932 0.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 11.585 -0.524 1.584 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.570 -0.566 0.131 1.00 0.00 H new ATOM 1369 N LYS A 97 13.951 -0.867 6.236 1.00 0.00 N ATOM 1370 CA LYS A 97 13.802 0.566 6.010 1.00 0.00 C ATOM 1371 C LYS A 97 14.501 0.989 4.723 1.00 0.00 C ATOM 1372 O LYS A 97 15.686 0.714 4.528 1.00 0.00 O ATOM 1373 CB LYS A 97 14.370 1.352 7.194 1.00 0.00 C ATOM 1374 CG LYS A 97 13.787 2.748 7.334 1.00 0.00 C ATOM 1375 CD LYS A 97 14.003 3.305 8.730 1.00 0.00 C ATOM 1376 CE LYS A 97 15.475 3.286 9.116 1.00 0.00 C ATOM 1377 NZ LYS A 97 15.694 3.814 10.491 1.00 0.00 N ATOM 0 H LYS A 97 14.872 -1.237 6.003 1.00 0.00 H new ATOM 0 HA LYS A 97 12.739 0.785 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.182 0.795 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.452 1.429 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.248 3.411 6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.720 2.721 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.626 4.327 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.430 2.720 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.854 2.266 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.045 3.882 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.709 3.785 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.356 4.796 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.170 3.231 11.174 1.00 0.00 H new ATOM 1391 N CYS A 98 13.763 1.662 3.846 1.00 0.00 N ATOM 1392 CA CYS A 98 14.312 2.124 2.578 1.00 0.00 C ATOM 1393 C CYS A 98 15.181 3.362 2.780 1.00 0.00 C ATOM 1394 O CYS A 98 14.860 4.235 3.588 1.00 0.00 O ATOM 1395 CB CYS A 98 13.184 2.435 1.592 1.00 0.00 C ATOM 1396 SG CYS A 98 12.497 4.115 1.755 1.00 0.00 S ATOM 0 H CYS A 98 12.782 1.899 3.991 1.00 0.00 H new ATOM 0 HA CYS A 98 14.934 1.328 2.169 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.557 2.303 0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.382 1.711 1.733 1.00 0.00 H new ATOM 0 HG CYS A 98 11.200 4.063 1.677 1.00 0.00 H new ATOM 1401 N LYS A 99 16.283 3.432 2.041 1.00 0.00 N ATOM 1402 CA LYS A 99 17.199 4.563 2.137 1.00 0.00 C ATOM 1403 C LYS A 99 16.431 5.878 2.231 1.00 0.00 C ATOM 1404 O LYS A 99 16.538 6.600 3.222 1.00 0.00 O ATOM 1405 CB LYS A 99 18.134 4.592 0.926 1.00 0.00 C ATOM 1406 CG LYS A 99 19.301 5.551 1.082 1.00 0.00 C ATOM 1407 CD LYS A 99 19.808 6.037 -0.266 1.00 0.00 C ATOM 1408 CE LYS A 99 20.689 7.268 -0.119 1.00 0.00 C ATOM 1409 NZ LYS A 99 22.097 6.907 0.201 1.00 0.00 N ATOM 0 H LYS A 99 16.564 2.718 1.368 1.00 0.00 H new ATOM 0 HA LYS A 99 17.792 4.443 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.521 3.588 0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.561 4.871 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.993 6.405 1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.110 5.056 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.372 5.241 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.961 6.269 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.663 7.845 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.290 7.908 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.665 7.773 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.125 6.378 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.486 6.317 -0.562 1.00 0.00 H new ATOM 1423 N ASN A 100 15.657 6.181 1.195 1.00 0.00 N ATOM 1424 CA ASN A 100 14.870 7.409 1.162 1.00 0.00 C ATOM 1425 C ASN A 100 14.370 7.772 2.557 1.00 0.00 C ATOM 1426 O ASN A 100 14.306 8.947 2.920 1.00 0.00 O ATOM 1427 CB ASN A 100 13.685 7.256 0.207 1.00 0.00 C ATOM 1428 CG ASN A 100 14.114 7.236 -1.248 1.00 0.00 C ATOM 1429 OD1 ASN A 100 14.441 6.184 -1.796 1.00 0.00 O ATOM 1430 ND2 ASN A 100 14.114 8.404 -1.880 1.00 0.00 N ATOM 0 H ASN A 100 15.557 5.594 0.367 1.00 0.00 H new ATOM 0 HA ASN A 100 15.513 8.213 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.152 6.334 0.439 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.986 8.077 0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.393 8.454 -2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.835 9.251 -1.386 1.00 0.00 H new ATOM 1437 N CYS A 101 14.016 6.755 3.336 1.00 0.00 N ATOM 1438 CA CYS A 101 13.521 6.965 4.691 1.00 0.00 C ATOM 1439 C CYS A 101 14.677 7.062 5.683 1.00 0.00 C ATOM 1440 O CYS A 101 14.719 7.969 6.515 1.00 0.00 O ATOM 1441 CB CYS A 101 12.582 5.827 5.095 1.00 0.00 C ATOM 1442 SG CYS A 101 10.891 5.989 4.436 1.00 0.00 S ATOM 0 H CYS A 101 14.063 5.777 3.051 1.00 0.00 H new ATOM 0 HA CYS A 101 12.970 7.905 4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.005 4.882 4.753 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.534 5.779 6.183 1.00 0.00 H new ATOM 0 HG CYS A 101 10.792 5.320 3.326 1.00 0.00 H new ATOM 1447 N ARG A 102 15.612 6.123 5.588 1.00 0.00 N ATOM 1448 CA ARG A 102 16.767 6.102 6.477 1.00 0.00 C ATOM 1449 C ARG A 102 17.389 7.490 6.592 1.00 0.00 C ATOM 1450 O ARG A 102 17.871 7.878 7.657 1.00 0.00 O ATOM 1451 CB ARG A 102 17.810 5.104 5.969 1.00 0.00 C ATOM 1452 CG ARG A 102 17.236 3.734 5.646 1.00 0.00 C ATOM 1453 CD ARG A 102 18.333 2.694 5.484 1.00 0.00 C ATOM 1454 NE ARG A 102 18.849 2.238 6.772 1.00 0.00 N ATOM 1455 CZ ARG A 102 20.065 1.730 6.939 1.00 0.00 C ATOM 1456 NH1 ARG A 102 20.886 1.614 5.904 1.00 0.00 N ATOM 1457 NH2 ARG A 102 20.461 1.336 8.142 1.00 0.00 N ATOM 0 H ARG A 102 15.592 5.366 4.904 1.00 0.00 H new ATOM 0 HA ARG A 102 16.428 5.791 7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.284 5.510 5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 102 18.591 4.993 6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 102 16.556 3.427 6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 102 16.649 3.791 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 102 17.945 1.842 4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.148 3.115 4.896 1.00 0.00 H new ATOM 0 HE ARG A 102 18.242 2.314 7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.584 1.915 4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.819 1.224 6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.832 1.423 8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.395 0.946 8.269 1.00 0.00 H new ATOM 1471 N ILE A 103 17.376 8.232 5.490 1.00 0.00 N ATOM 1472 CA ILE A 103 17.939 9.577 5.469 1.00 0.00 C ATOM 1473 C ILE A 103 17.791 10.256 6.826 1.00 0.00 C ATOM 1474 O ILE A 103 16.694 10.325 7.381 1.00 0.00 O ATOM 1475 CB ILE A 103 17.267 10.451 4.393 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.453 9.827 3.009 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.836 11.861 4.426 1.00 0.00 C ATOM 1478 CD1 ILE A 103 18.886 9.452 2.702 1.00 0.00 C ATOM 0 H ILE A 103 16.982 7.925 4.601 1.00 0.00 H new ATOM 0 HA ILE A 103 18.998 9.473 5.232 1.00 0.00 H new ATOM 0 HB ILE A 103 16.199 10.506 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.829 8.936 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 103 17.100 10.528 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 103 17.352 12.467 3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.656 12.303 5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.909 11.825 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.942 9.016 1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.512 10.343 2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.237 8.727 3.436 1.00 0.00 H new