USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=34 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 147:sc= 1.54 USER MOD Set 1.2: A 75 CYS SG : rot -68:sc= -0.79 USER MOD Set 1.3: A 98 CYS SG : rot -134:sc= 0.599 USER MOD Set 1.4: A 101 CYS SG : rot 154:sc= -2.3 USER MOD Set 2.1: A 57 CYS SG : rot 162:sc= 0.688 USER MOD Set 2.2: A 60 CYS SG : rot -63:sc= -0.839! USER MOD Set 2.3: A 80 HIS : no HE2:sc= -4! C(o=-5.3!,f=-4.7!) USER MOD Set 2.4: A 83 CYS SG : rot -159:sc= -1.17 USER MOD Set 3.1: A 42 THR OG1 : rot 169:sc= 0.269 USER MOD Set 3.2: A 45 LYS NZ :NH3+ -175:sc= -0.127 (180deg=-0.16) USER MOD Set 4.1: A 30 GLN : amide:sc= -2.12! K(o=-2.1!,f=-1) USER MOD Set 4.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 25 CYS SG : rot 148:sc= 0.975 USER MOD Set 5.2: A 28 CYS SG : rot -61:sc= -0.407 USER MOD Set 5.3: A 51 CYS SG : rot -140:sc= 0.111 USER MOD Set 5.4: A 54 CYS SG : rot 83:sc= -1.73 USER MOD Set 6.1: A 27 THR OG1 : rot -170:sc= 0 USER MOD Set 6.2: A 50 GLN : amide:sc= -0.895 X(o=-0.89,f=-1.1!) USER MOD Set 7.1: A 10 CYS SG : rot -166:sc= -0.298 USER MOD Set 7.2: A 13 CYS SG : rot -126:sc= -2.38 USER MOD Set 7.3: A 33 HIS : no HD1:sc= -1.96! K(o=-5.3!,f=-4.7) USER MOD Set 7.4: A 36 CYS SG : rot 127:sc= -0.705 USER MOD Single : A 9 ASN : amide:sc= -0.0886 K(o=-0.089,f=-1.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.11 K(o=-2.1,f=-3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -5.15 K(o=-5.2,f=-6.4!) USER MOD Single : A 35 MET CE :methyl -152:sc= -0.205 (180deg=-0.934) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.249) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.29 K(o=-1.3,f=-1.8) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.084 K(o=-0.084,f=-0.95) USER MOD Single : A 63 SER OG : rot 28:sc= 0.00969 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 69 MET CE :methyl -143:sc= -1.01 (180deg=-4.15!) USER MOD Single : A 74 THR OG1 : rot 54:sc= 0.022 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 26:sc= 0.377 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -165:sc= -3.43! (180deg=-4.08!) USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00343) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 47:sc= 0.834 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= -0.132 (180deg=-0.833) USER MOD Single : A 100 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -16.861 4.184 -0.888 1.00 0.00 N ATOM 67 CA ALA A 8 -15.590 4.542 -0.271 1.00 0.00 C ATOM 68 C ALA A 8 -15.483 3.966 1.137 1.00 0.00 C ATOM 69 O ALA A 8 -14.788 4.515 1.991 1.00 0.00 O ATOM 70 CB ALA A 8 -15.427 6.054 -0.238 1.00 0.00 C ATOM 0 HA ALA A 8 -14.788 4.114 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.473 6.307 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.451 6.445 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.239 6.495 0.340 1.00 0.00 H new ATOM 76 N ASN A 9 -16.177 2.857 1.373 1.00 0.00 N ATOM 77 CA ASN A 9 -16.160 2.207 2.678 1.00 0.00 C ATOM 78 C ASN A 9 -15.065 1.147 2.744 1.00 0.00 C ATOM 79 O ASN A 9 -14.426 0.835 1.739 1.00 0.00 O ATOM 80 CB ASN A 9 -17.520 1.571 2.972 1.00 0.00 C ATOM 81 CG ASN A 9 -18.539 2.583 3.459 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.188 3.699 3.842 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.809 2.195 3.447 1.00 0.00 N ATOM 0 H ASN A 9 -16.758 2.390 0.677 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.951 2.966 3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.895 1.088 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.398 0.791 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.540 2.832 3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.054 1.260 3.121 1.00 0.00 H new ATOM 90 N CYS A 10 -14.853 0.597 3.935 1.00 0.00 N ATOM 91 CA CYS A 10 -13.836 -0.428 4.134 1.00 0.00 C ATOM 92 C CYS A 10 -14.176 -1.692 3.350 1.00 0.00 C ATOM 93 O CYS A 10 -15.295 -2.199 3.425 1.00 0.00 O ATOM 94 CB CYS A 10 -13.700 -0.759 5.622 1.00 0.00 C ATOM 95 SG CYS A 10 -12.125 -1.562 6.064 1.00 0.00 S ATOM 0 H CYS A 10 -15.372 0.844 4.777 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.887 -0.038 3.767 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.801 0.160 6.199 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.523 -1.411 5.915 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.217 -2.071 7.257 1.00 0.00 H new ATOM 100 N ALA A 11 -13.203 -2.194 2.597 1.00 0.00 N ATOM 101 CA ALA A 11 -13.398 -3.399 1.800 1.00 0.00 C ATOM 102 C ALA A 11 -13.128 -4.653 2.626 1.00 0.00 C ATOM 103 O ALA A 11 -13.133 -5.767 2.102 1.00 0.00 O ATOM 104 CB ALA A 11 -12.501 -3.371 0.572 1.00 0.00 C ATOM 0 H ALA A 11 -12.272 -1.785 2.522 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.438 -3.426 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.657 -4.277 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.744 -2.500 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.458 -3.316 0.884 1.00 0.00 H new ATOM 110 N VAL A 12 -12.893 -4.464 3.920 1.00 0.00 N ATOM 111 CA VAL A 12 -12.621 -5.580 4.819 1.00 0.00 C ATOM 112 C VAL A 12 -13.752 -5.762 5.825 1.00 0.00 C ATOM 113 O VAL A 12 -14.171 -6.885 6.107 1.00 0.00 O ATOM 114 CB VAL A 12 -11.298 -5.377 5.581 1.00 0.00 C ATOM 115 CG1 VAL A 12 -11.144 -6.427 6.671 1.00 0.00 C ATOM 116 CG2 VAL A 12 -10.119 -5.418 4.620 1.00 0.00 C ATOM 0 H VAL A 12 -12.885 -3.549 4.370 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.541 -6.474 4.200 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.318 -4.396 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.204 -6.268 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.973 -6.346 7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.145 -7.420 6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.192 -5.273 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.093 -6.385 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.226 -4.626 3.879 1.00 0.00 H new ATOM 126 N CYS A 13 -14.242 -4.651 6.365 1.00 0.00 N ATOM 127 CA CYS A 13 -15.324 -4.687 7.340 1.00 0.00 C ATOM 128 C CYS A 13 -16.610 -4.116 6.748 1.00 0.00 C ATOM 129 O CYS A 13 -17.711 -4.491 7.151 1.00 0.00 O ATOM 130 CB CYS A 13 -14.935 -3.902 8.594 1.00 0.00 C ATOM 131 SG CYS A 13 -14.910 -2.095 8.362 1.00 0.00 S ATOM 0 H CYS A 13 -13.906 -3.714 6.143 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.500 -5.728 7.611 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -15.635 -4.145 9.394 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -13.949 -4.229 8.923 1.00 0.00 H new ATOM 0 HG CYS A 13 -13.756 -1.626 8.734 1.00 0.00 H new ATOM 136 N ASP A 14 -16.461 -3.208 5.790 1.00 0.00 N ATOM 137 CA ASP A 14 -17.609 -2.586 5.141 1.00 0.00 C ATOM 138 C ASP A 14 -18.313 -1.622 6.090 1.00 0.00 C ATOM 139 O ASP A 14 -19.530 -1.687 6.266 1.00 0.00 O ATOM 140 CB ASP A 14 -18.590 -3.656 4.658 1.00 0.00 C ATOM 141 CG ASP A 14 -19.462 -3.169 3.517 1.00 0.00 C ATOM 142 OD1 ASP A 14 -19.615 -1.938 3.370 1.00 0.00 O ATOM 143 OD2 ASP A 14 -19.990 -4.019 2.771 1.00 0.00 O ATOM 0 H ASP A 14 -15.556 -2.886 5.446 1.00 0.00 H new ATOM 0 HA ASP A 14 -17.248 -2.021 4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.034 -4.536 4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -19.224 -3.966 5.489 1.00 0.00 H new ATOM 148 N SER A 15 -17.541 -0.730 6.700 1.00 0.00 N ATOM 149 CA SER A 15 -18.090 0.244 7.636 1.00 0.00 C ATOM 150 C SER A 15 -17.404 1.598 7.476 1.00 0.00 C ATOM 151 O SER A 15 -16.189 1.690 7.304 1.00 0.00 O ATOM 152 CB SER A 15 -17.933 -0.253 9.074 1.00 0.00 C ATOM 153 OG SER A 15 -18.716 -1.411 9.302 1.00 0.00 O ATOM 0 H SER A 15 -16.533 -0.661 6.563 1.00 0.00 H new ATOM 0 HA SER A 15 -19.151 0.365 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.884 -0.474 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.230 0.533 9.768 1.00 0.00 H new ATOM 0 HG SER A 15 -18.597 -1.709 10.228 1.00 0.00 H new ATOM 159 N PRO A 16 -18.202 2.675 7.533 1.00 0.00 N ATOM 160 CA PRO A 16 -17.695 4.044 7.397 1.00 0.00 C ATOM 161 C PRO A 16 -16.862 4.475 8.600 1.00 0.00 C ATOM 162 O PRO A 16 -15.748 4.976 8.448 1.00 0.00 O ATOM 163 CB PRO A 16 -18.969 4.886 7.300 1.00 0.00 C ATOM 164 CG PRO A 16 -20.011 4.079 7.994 1.00 0.00 C ATOM 165 CD PRO A 16 -19.660 2.639 7.735 1.00 0.00 C ATOM 0 HA PRO A 16 -17.032 4.150 6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.838 5.858 7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.241 5.074 6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -20.022 4.292 9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.005 4.313 7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.934 2.001 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -20.178 2.250 6.858 1.00 0.00 H new ATOM 173 N GLY A 17 -17.409 4.277 9.795 1.00 0.00 N ATOM 174 CA GLY A 17 -16.702 4.651 11.006 1.00 0.00 C ATOM 175 C GLY A 17 -15.903 5.928 10.840 1.00 0.00 C ATOM 176 O GLY A 17 -16.451 6.967 10.470 1.00 0.00 O ATOM 0 H GLY A 17 -18.329 3.864 9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.419 4.778 11.817 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.032 3.842 11.296 1.00 0.00 H new ATOM 180 N ASP A 18 -14.606 5.853 11.115 1.00 0.00 N ATOM 181 CA ASP A 18 -13.730 7.012 10.995 1.00 0.00 C ATOM 182 C ASP A 18 -13.029 7.026 9.640 1.00 0.00 C ATOM 183 O ASP A 18 -12.527 6.000 9.179 1.00 0.00 O ATOM 184 CB ASP A 18 -12.693 7.014 12.119 1.00 0.00 C ATOM 185 CG ASP A 18 -13.224 7.639 13.395 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.981 6.958 14.118 1.00 0.00 O ATOM 187 OD2 ASP A 18 -12.881 8.807 13.670 1.00 0.00 O ATOM 0 H ASP A 18 -14.138 5.001 11.423 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.344 7.909 11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.380 5.990 12.322 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.808 7.559 11.792 1.00 0.00 H new ATOM 192 N LEU A 19 -13.000 8.193 9.006 1.00 0.00 N ATOM 193 CA LEU A 19 -12.361 8.340 7.703 1.00 0.00 C ATOM 194 C LEU A 19 -10.871 8.626 7.856 1.00 0.00 C ATOM 195 O LEU A 19 -10.039 8.023 7.176 1.00 0.00 O ATOM 196 CB LEU A 19 -13.029 9.465 6.910 1.00 0.00 C ATOM 197 CG LEU A 19 -14.288 9.081 6.131 1.00 0.00 C ATOM 198 CD1 LEU A 19 -13.943 8.134 4.992 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.317 8.451 7.058 1.00 0.00 C ATOM 0 H LEU A 19 -13.411 9.051 9.373 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.478 7.402 7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.285 10.268 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.300 9.869 6.207 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.719 9.987 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.851 7.872 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.242 8.621 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.488 7.230 5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.206 8.184 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.896 7.555 7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.587 9.162 7.839 1.00 0.00 H new ATOM 211 N LEU A 20 -10.539 9.547 8.753 1.00 0.00 N ATOM 212 CA LEU A 20 -9.148 9.912 8.998 1.00 0.00 C ATOM 213 C LEU A 20 -8.358 8.720 9.528 1.00 0.00 C ATOM 214 O LEU A 20 -7.195 8.526 9.173 1.00 0.00 O ATOM 215 CB LEU A 20 -9.072 11.072 9.992 1.00 0.00 C ATOM 216 CG LEU A 20 -9.236 12.473 9.403 1.00 0.00 C ATOM 217 CD1 LEU A 20 -10.671 12.697 8.951 1.00 0.00 C ATOM 218 CD2 LEU A 20 -8.823 13.530 10.417 1.00 0.00 C ATOM 0 H LEU A 20 -11.215 10.055 9.324 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.708 10.224 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.842 10.926 10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.110 11.025 10.502 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.585 12.559 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.769 13.700 8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.932 11.961 8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.342 12.591 9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.946 14.521 9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.448 13.445 11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.779 13.382 10.692 1.00 0.00 H new ATOM 230 N ASP A 21 -8.998 7.923 10.377 1.00 0.00 N ATOM 231 CA ASP A 21 -8.356 6.747 10.953 1.00 0.00 C ATOM 232 C ASP A 21 -7.857 5.809 9.858 1.00 0.00 C ATOM 233 O ASP A 21 -6.707 5.370 9.882 1.00 0.00 O ATOM 234 CB ASP A 21 -9.329 6.007 11.871 1.00 0.00 C ATOM 235 CG ASP A 21 -9.306 6.541 13.290 1.00 0.00 C ATOM 236 OD1 ASP A 21 -9.390 7.775 13.460 1.00 0.00 O ATOM 237 OD2 ASP A 21 -9.204 5.725 14.230 1.00 0.00 O ATOM 0 H ASP A 21 -9.960 8.070 10.681 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.499 7.081 11.538 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.339 6.093 11.470 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.079 4.946 11.881 1.00 0.00 H new ATOM 242 N GLN A 22 -8.729 5.506 8.902 1.00 0.00 N ATOM 243 CA GLN A 22 -8.377 4.619 7.801 1.00 0.00 C ATOM 244 C GLN A 22 -7.709 5.394 6.669 1.00 0.00 C ATOM 245 O GLN A 22 -7.982 6.577 6.468 1.00 0.00 O ATOM 246 CB GLN A 22 -9.622 3.901 7.277 1.00 0.00 C ATOM 247 CG GLN A 22 -10.733 4.846 6.848 1.00 0.00 C ATOM 248 CD GLN A 22 -12.006 4.116 6.469 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.965 2.996 5.959 1.00 0.00 O ATOM 250 NE2 GLN A 22 -13.148 4.747 6.718 1.00 0.00 N ATOM 0 H GLN A 22 -9.684 5.862 8.868 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.671 3.879 8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.341 3.275 6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.001 3.236 8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.946 5.542 7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.393 5.439 5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.136 5.675 7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.037 4.304 6.485 1.00 0.00 H new ATOM 259 N PHE A 23 -6.832 4.719 5.933 1.00 0.00 N ATOM 260 CA PHE A 23 -6.124 5.344 4.823 1.00 0.00 C ATOM 261 C PHE A 23 -6.997 5.377 3.571 1.00 0.00 C ATOM 262 O PHE A 23 -8.044 4.733 3.514 1.00 0.00 O ATOM 263 CB PHE A 23 -4.823 4.594 4.532 1.00 0.00 C ATOM 264 CG PHE A 23 -3.888 4.538 5.705 1.00 0.00 C ATOM 265 CD1 PHE A 23 -4.061 3.592 6.703 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.834 5.432 5.811 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.202 3.540 7.784 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.972 5.384 6.890 1.00 0.00 C ATOM 269 CZ PHE A 23 -2.155 4.436 7.877 1.00 0.00 C ATOM 0 H PHE A 23 -6.595 3.739 6.086 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.887 6.369 5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.061 3.578 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.315 5.074 3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.877 2.887 6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.685 6.175 5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.349 2.799 8.556 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.156 6.088 6.961 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.481 4.395 8.720 1.00 0.00 H new ATOM 279 N PHE A 24 -6.557 6.133 2.570 1.00 0.00 N ATOM 280 CA PHE A 24 -7.297 6.252 1.320 1.00 0.00 C ATOM 281 C PHE A 24 -6.357 6.169 0.121 1.00 0.00 C ATOM 282 O PHE A 24 -5.553 7.071 -0.116 1.00 0.00 O ATOM 283 CB PHE A 24 -8.071 7.572 1.284 1.00 0.00 C ATOM 284 CG PHE A 24 -8.572 7.937 -0.084 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.617 7.235 -0.663 1.00 0.00 C ATOM 286 CD2 PHE A 24 -7.997 8.980 -0.791 1.00 0.00 C ATOM 287 CE1 PHE A 24 -10.080 7.568 -1.922 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.456 9.318 -2.050 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.499 8.611 -2.617 1.00 0.00 C ATOM 0 H PHE A 24 -5.692 6.672 2.601 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.003 5.423 1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.918 7.506 1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.427 8.371 1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.075 6.418 -0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.181 9.535 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.895 7.013 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.000 10.134 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.859 8.873 -3.601 1.00 0.00 H new ATOM 299 N CYS A 25 -6.463 5.079 -0.632 1.00 0.00 N ATOM 300 CA CYS A 25 -5.623 4.875 -1.806 1.00 0.00 C ATOM 301 C CYS A 25 -5.870 5.963 -2.848 1.00 0.00 C ATOM 302 O CYS A 25 -6.926 6.597 -2.861 1.00 0.00 O ATOM 303 CB CYS A 25 -5.890 3.498 -2.417 1.00 0.00 C ATOM 304 SG CYS A 25 -4.703 3.016 -3.711 1.00 0.00 S ATOM 0 H CYS A 25 -7.123 4.323 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.581 4.929 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.870 2.750 -1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.895 3.488 -2.839 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.548 1.725 -3.699 1.00 0.00 H new ATOM 309 N THR A 26 -4.889 6.173 -3.720 1.00 0.00 N ATOM 310 CA THR A 26 -4.999 7.183 -4.764 1.00 0.00 C ATOM 311 C THR A 26 -5.283 6.545 -6.119 1.00 0.00 C ATOM 312 O THR A 26 -6.046 7.082 -6.923 1.00 0.00 O ATOM 313 CB THR A 26 -3.714 8.027 -4.867 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.606 7.192 -5.221 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.423 8.732 -3.550 1.00 0.00 C ATOM 0 H THR A 26 -4.009 5.657 -3.724 1.00 0.00 H new ATOM 0 HA THR A 26 -5.831 7.832 -4.489 1.00 0.00 H new ATOM 0 HB THR A 26 -3.862 8.781 -5.640 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.794 7.736 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.511 9.322 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.255 9.389 -3.297 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.294 7.991 -2.761 1.00 0.00 H new ATOM 323 N THR A 27 -4.665 5.394 -6.368 1.00 0.00 N ATOM 324 CA THR A 27 -4.851 4.683 -7.626 1.00 0.00 C ATOM 325 C THR A 27 -6.281 4.171 -7.761 1.00 0.00 C ATOM 326 O THR A 27 -7.013 4.576 -8.664 1.00 0.00 O ATOM 327 CB THR A 27 -3.879 3.495 -7.749 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.526 3.962 -7.700 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.112 2.736 -9.047 1.00 0.00 C ATOM 0 H THR A 27 -4.031 4.935 -5.714 1.00 0.00 H new ATOM 0 HA THR A 27 -4.645 5.395 -8.425 1.00 0.00 H new ATOM 0 HB THR A 27 -4.060 2.818 -6.914 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.919 3.230 -7.935 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.414 1.902 -9.111 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.134 2.357 -9.068 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.956 3.405 -9.893 1.00 0.00 H new ATOM 337 N CYS A 28 -6.673 3.278 -6.858 1.00 0.00 N ATOM 338 CA CYS A 28 -8.015 2.710 -6.876 1.00 0.00 C ATOM 339 C CYS A 28 -8.985 3.581 -6.083 1.00 0.00 C ATOM 340 O CYS A 28 -10.117 3.811 -6.505 1.00 0.00 O ATOM 341 CB CYS A 28 -8.000 1.292 -6.302 1.00 0.00 C ATOM 342 SG CYS A 28 -7.779 1.224 -4.495 1.00 0.00 S ATOM 0 H CYS A 28 -6.079 2.932 -6.104 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.352 2.672 -7.912 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.935 0.796 -6.562 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.198 0.728 -6.777 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.637 1.759 -4.177 1.00 0.00 H new ATOM 347 N GLY A 29 -8.531 4.064 -4.930 1.00 0.00 N ATOM 348 CA GLY A 29 -9.371 4.904 -4.096 1.00 0.00 C ATOM 349 C GLY A 29 -10.175 4.104 -3.090 1.00 0.00 C ATOM 350 O GLY A 29 -11.329 4.427 -2.812 1.00 0.00 O ATOM 0 H GLY A 29 -7.597 3.889 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.747 5.625 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.051 5.474 -4.729 1.00 0.00 H new ATOM 354 N GLN A 30 -9.564 3.057 -2.545 1.00 0.00 N ATOM 355 CA GLN A 30 -10.232 2.207 -1.567 1.00 0.00 C ATOM 356 C GLN A 30 -9.928 2.670 -0.146 1.00 0.00 C ATOM 357 O GLN A 30 -9.008 3.458 0.078 1.00 0.00 O ATOM 358 CB GLN A 30 -9.800 0.751 -1.744 1.00 0.00 C ATOM 359 CG GLN A 30 -10.525 0.034 -2.872 1.00 0.00 C ATOM 360 CD GLN A 30 -12.008 -0.129 -2.601 1.00 0.00 C ATOM 361 OE1 GLN A 30 -12.846 0.406 -3.327 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.340 -0.873 -1.552 1.00 0.00 N ATOM 0 H GLN A 30 -8.608 2.777 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.307 2.282 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.727 0.720 -1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.974 0.213 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.388 0.591 -3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.076 -0.948 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.612 -1.298 -0.977 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.323 -1.020 -1.321 1.00 0.00 H new ATOM 371 N HIS A 31 -10.707 2.176 0.812 1.00 0.00 N ATOM 372 CA HIS A 31 -10.520 2.540 2.212 1.00 0.00 C ATOM 373 C HIS A 31 -10.210 1.308 3.057 1.00 0.00 C ATOM 374 O HIS A 31 -10.695 0.211 2.774 1.00 0.00 O ATOM 375 CB HIS A 31 -11.769 3.240 2.750 1.00 0.00 C ATOM 376 CG HIS A 31 -11.985 4.605 2.173 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.530 5.648 2.892 1.00 0.00 N ATOM 378 CD2 HIS A 31 -11.725 5.096 0.939 1.00 0.00 C ATOM 379 CE1 HIS A 31 -12.597 6.721 2.124 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.114 6.413 0.934 1.00 0.00 N ATOM 0 H HIS A 31 -11.473 1.523 0.644 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.674 3.224 2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.642 2.622 2.538 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.692 3.321 3.834 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.292 4.553 0.112 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.981 7.686 2.419 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.042 7.050 0.140 1.00 0.00 H new ATOM 389 N TYR A 32 -9.400 1.495 4.092 1.00 0.00 N ATOM 390 CA TYR A 32 -9.023 0.398 4.976 1.00 0.00 C ATOM 391 C TYR A 32 -8.592 0.923 6.342 1.00 0.00 C ATOM 392 O TYR A 32 -7.728 1.795 6.441 1.00 0.00 O ATOM 393 CB TYR A 32 -7.892 -0.421 4.352 1.00 0.00 C ATOM 394 CG TYR A 32 -8.244 -1.012 3.005 1.00 0.00 C ATOM 395 CD1 TYR A 32 -8.855 -2.257 2.910 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.966 -0.327 1.829 1.00 0.00 C ATOM 397 CE1 TYR A 32 -9.178 -2.801 1.682 1.00 0.00 C ATOM 398 CE2 TYR A 32 -8.287 -0.864 0.597 1.00 0.00 C ATOM 399 CZ TYR A 32 -8.893 -2.101 0.529 1.00 0.00 C ATOM 400 OH TYR A 32 -9.213 -2.639 -0.697 1.00 0.00 O ATOM 0 H TYR A 32 -8.991 2.396 4.340 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.895 -0.242 5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.013 0.214 4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.620 -1.227 5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.081 -2.808 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.491 0.642 1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.652 -3.770 1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.065 -0.318 -0.308 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.946 -2.018 -1.407 1.00 0.00 H new ATOM 410 N HIS A 33 -9.199 0.384 7.394 1.00 0.00 N ATOM 411 CA HIS A 33 -8.878 0.795 8.756 1.00 0.00 C ATOM 412 C HIS A 33 -7.548 0.198 9.205 1.00 0.00 C ATOM 413 O HIS A 33 -7.152 -0.874 8.751 1.00 0.00 O ATOM 414 CB HIS A 33 -9.990 0.370 9.715 1.00 0.00 C ATOM 415 CG HIS A 33 -11.315 1.002 9.414 1.00 0.00 C ATOM 416 ND1 HIS A 33 -12.423 0.279 9.027 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.706 2.298 9.448 1.00 0.00 C ATOM 418 CE1 HIS A 33 -13.437 1.102 8.833 1.00 0.00 C ATOM 419 NE2 HIS A 33 -13.029 2.333 9.082 1.00 0.00 N ATOM 0 H HIS A 33 -9.916 -0.339 7.330 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.792 1.881 8.770 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.097 -0.714 9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.698 0.626 10.733 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.092 3.146 9.713 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -14.432 0.817 8.523 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.603 3.173 9.014 1.00 0.00 H new ATOM 427 N GLY A 34 -6.860 0.902 10.100 1.00 0.00 N ATOM 428 CA GLY A 34 -5.582 0.426 10.594 1.00 0.00 C ATOM 429 C GLY A 34 -5.695 -0.906 11.307 1.00 0.00 C ATOM 430 O GLY A 34 -4.755 -1.701 11.306 1.00 0.00 O ATOM 0 H GLY A 34 -7.166 1.793 10.491 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.887 0.330 9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.162 1.165 11.276 1.00 0.00 H new ATOM 434 N MET A 35 -6.849 -1.151 11.920 1.00 0.00 N ATOM 435 CA MET A 35 -7.081 -2.398 12.641 1.00 0.00 C ATOM 436 C MET A 35 -7.543 -3.498 11.691 1.00 0.00 C ATOM 437 O MET A 35 -7.215 -4.670 11.876 1.00 0.00 O ATOM 438 CB MET A 35 -8.122 -2.188 13.743 1.00 0.00 C ATOM 439 CG MET A 35 -9.476 -1.737 13.221 1.00 0.00 C ATOM 440 SD MET A 35 -10.836 -2.233 14.296 1.00 0.00 S ATOM 441 CE MET A 35 -10.761 -4.015 14.136 1.00 0.00 C ATOM 0 H MET A 35 -7.637 -0.504 11.932 1.00 0.00 H new ATOM 0 HA MET A 35 -6.139 -2.707 13.095 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.247 -3.119 14.296 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.748 -1.446 14.448 1.00 0.00 H new ATOM 0 HG2 MET A 35 -9.478 -0.652 13.117 1.00 0.00 H new ATOM 0 HG3 MET A 35 -9.634 -2.153 12.226 1.00 0.00 H new ATOM 0 HE1 MET A 35 -11.753 -4.437 14.295 1.00 0.00 H new ATOM 0 HE2 MET A 35 -10.412 -4.276 13.137 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.072 -4.418 14.878 1.00 0.00 H new ATOM 451 N CYS A 36 -8.307 -3.113 10.674 1.00 0.00 N ATOM 452 CA CYS A 36 -8.815 -4.066 9.695 1.00 0.00 C ATOM 453 C CYS A 36 -7.676 -4.661 8.874 1.00 0.00 C ATOM 454 O CYS A 36 -7.689 -5.848 8.542 1.00 0.00 O ATOM 455 CB CYS A 36 -9.826 -3.387 8.769 1.00 0.00 C ATOM 456 SG CYS A 36 -11.511 -3.284 9.454 1.00 0.00 S ATOM 0 H CYS A 36 -8.588 -2.147 10.507 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.311 -4.873 10.234 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.476 -2.380 8.542 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.862 -3.932 7.826 1.00 0.00 H new ATOM 0 HG CYS A 36 -11.927 -2.054 9.399 1.00 0.00 H new ATOM 461 N LEU A 37 -6.691 -3.831 8.548 1.00 0.00 N ATOM 462 CA LEU A 37 -5.543 -4.275 7.766 1.00 0.00 C ATOM 463 C LEU A 37 -4.367 -4.621 8.673 1.00 0.00 C ATOM 464 O LEU A 37 -3.444 -5.328 8.267 1.00 0.00 O ATOM 465 CB LEU A 37 -5.131 -3.190 6.769 1.00 0.00 C ATOM 466 CG LEU A 37 -5.792 -3.258 5.392 1.00 0.00 C ATOM 467 CD1 LEU A 37 -5.403 -2.051 4.552 1.00 0.00 C ATOM 468 CD2 LEU A 37 -5.412 -4.549 4.681 1.00 0.00 C ATOM 0 H LEU A 37 -6.665 -2.846 8.813 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.832 -5.172 7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.353 -2.218 7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.051 -3.240 6.634 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.873 -3.246 5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.883 -2.117 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.726 -1.139 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.321 -2.031 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.891 -4.580 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.330 -4.591 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.742 -5.402 5.274 1.00 0.00 H new ATOM 480 N ASP A 38 -4.408 -4.120 9.903 1.00 0.00 N ATOM 481 CA ASP A 38 -3.347 -4.379 10.870 1.00 0.00 C ATOM 482 C ASP A 38 -2.100 -3.565 10.539 1.00 0.00 C ATOM 483 O ASP A 38 -0.981 -4.076 10.592 1.00 0.00 O ATOM 484 CB ASP A 38 -3.005 -5.870 10.897 1.00 0.00 C ATOM 485 CG ASP A 38 -2.239 -6.265 12.143 1.00 0.00 C ATOM 486 OD1 ASP A 38 -2.293 -5.511 13.137 1.00 0.00 O ATOM 487 OD2 ASP A 38 -1.584 -7.329 12.125 1.00 0.00 O ATOM 0 H ASP A 38 -5.164 -3.532 10.254 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.705 -4.078 11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.925 -6.452 10.840 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.414 -6.120 10.016 1.00 0.00 H new ATOM 492 N ILE A 39 -2.301 -2.297 10.197 1.00 0.00 N ATOM 493 CA ILE A 39 -1.193 -1.412 9.858 1.00 0.00 C ATOM 494 C ILE A 39 -1.006 -0.334 10.921 1.00 0.00 C ATOM 495 O ILE A 39 -1.971 0.127 11.529 1.00 0.00 O ATOM 496 CB ILE A 39 -1.410 -0.737 8.491 1.00 0.00 C ATOM 497 CG1 ILE A 39 -1.670 -1.792 7.413 1.00 0.00 C ATOM 498 CG2 ILE A 39 -0.205 0.116 8.125 1.00 0.00 C ATOM 499 CD1 ILE A 39 -2.272 -1.225 6.146 1.00 0.00 C ATOM 0 H ILE A 39 -3.221 -1.859 10.147 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.297 -2.031 9.810 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.284 -0.088 8.556 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.731 -2.289 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.339 -2.553 7.815 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.373 0.587 7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.061 0.886 8.883 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.684 -0.513 8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.429 -2.029 5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.227 -0.753 6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.594 -0.485 5.721 1.00 0.00 H new ATOM 511 N ALA A 40 0.244 0.064 11.137 1.00 0.00 N ATOM 512 CA ALA A 40 0.558 1.091 12.123 1.00 0.00 C ATOM 513 C ALA A 40 0.349 2.487 11.547 1.00 0.00 C ATOM 514 O ALA A 40 0.981 2.864 10.560 1.00 0.00 O ATOM 515 CB ALA A 40 1.989 0.930 12.615 1.00 0.00 C ATOM 0 H ALA A 40 1.055 -0.309 10.643 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.121 0.969 12.967 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.210 1.703 13.351 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.108 -0.052 13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.676 1.023 11.774 1.00 0.00 H new ATOM 521 N VAL A 41 -0.543 3.251 12.169 1.00 0.00 N ATOM 522 CA VAL A 41 -0.836 4.607 11.718 1.00 0.00 C ATOM 523 C VAL A 41 0.347 5.536 11.968 1.00 0.00 C ATOM 524 O VAL A 41 0.768 5.732 13.108 1.00 0.00 O ATOM 525 CB VAL A 41 -2.080 5.177 12.424 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.325 6.616 11.996 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.298 4.313 12.136 1.00 0.00 C ATOM 0 H VAL A 41 -1.076 2.954 12.987 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.030 4.550 10.647 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.902 5.168 13.499 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.208 7.002 12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.460 7.226 12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.483 6.653 10.918 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.168 4.730 12.643 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.481 4.288 11.062 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.119 3.300 12.497 1.00 0.00 H new ATOM 537 N THR A 42 0.880 6.108 10.893 1.00 0.00 N ATOM 538 CA THR A 42 2.015 7.017 10.994 1.00 0.00 C ATOM 539 C THR A 42 1.793 8.270 10.155 1.00 0.00 C ATOM 540 O THR A 42 1.077 8.256 9.153 1.00 0.00 O ATOM 541 CB THR A 42 3.322 6.336 10.545 1.00 0.00 C ATOM 542 OG1 THR A 42 3.352 6.229 9.117 1.00 0.00 O ATOM 543 CG2 THR A 42 3.453 4.953 11.165 1.00 0.00 C ATOM 0 H THR A 42 0.544 5.958 9.942 1.00 0.00 H new ATOM 0 HA THR A 42 2.103 7.298 12.044 1.00 0.00 H new ATOM 0 HB THR A 42 4.159 6.948 10.881 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.249 5.962 8.828 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.383 4.492 10.833 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.459 5.040 12.251 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.611 4.334 10.855 1.00 0.00 H new ATOM 551 N PRO A 43 2.422 9.380 10.569 1.00 0.00 N ATOM 552 CA PRO A 43 2.309 10.662 9.868 1.00 0.00 C ATOM 553 C PRO A 43 3.016 10.648 8.517 1.00 0.00 C ATOM 554 O PRO A 43 2.995 11.637 7.784 1.00 0.00 O ATOM 555 CB PRO A 43 2.992 11.648 10.819 1.00 0.00 C ATOM 556 CG PRO A 43 3.943 10.816 11.608 1.00 0.00 C ATOM 557 CD PRO A 43 3.292 9.468 11.754 1.00 0.00 C ATOM 0 HA PRO A 43 1.273 10.914 9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.513 12.432 10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.267 12.141 11.466 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.903 10.732 11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.137 11.263 12.583 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.029 8.665 11.772 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.720 9.396 12.679 1.00 0.00 H new ATOM 565 N LEU A 44 3.642 9.522 8.194 1.00 0.00 N ATOM 566 CA LEU A 44 4.355 9.379 6.929 1.00 0.00 C ATOM 567 C LEU A 44 3.498 8.649 5.900 1.00 0.00 C ATOM 568 O LEU A 44 3.282 9.144 4.793 1.00 0.00 O ATOM 569 CB LEU A 44 5.668 8.623 7.145 1.00 0.00 C ATOM 570 CG LEU A 44 6.826 9.015 6.227 1.00 0.00 C ATOM 571 CD1 LEU A 44 6.469 8.749 4.773 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.195 10.478 6.428 1.00 0.00 C ATOM 0 H LEU A 44 3.671 8.695 8.790 1.00 0.00 H new ATOM 0 HA LEU A 44 4.575 10.377 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.983 8.770 8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.476 7.557 7.019 1.00 0.00 H new ATOM 0 HG LEU A 44 7.691 8.404 6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.305 9.034 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.255 7.689 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.590 9.333 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.021 10.739 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.334 11.105 6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.495 10.639 7.464 1.00 0.00 H new ATOM 584 N LYS A 45 3.010 7.471 6.272 1.00 0.00 N ATOM 585 CA LYS A 45 2.174 6.674 5.383 1.00 0.00 C ATOM 586 C LYS A 45 0.930 7.451 4.964 1.00 0.00 C ATOM 587 O LYS A 45 0.640 7.583 3.775 1.00 0.00 O ATOM 588 CB LYS A 45 1.766 5.368 6.068 1.00 0.00 C ATOM 589 CG LYS A 45 2.880 4.337 6.126 1.00 0.00 C ATOM 590 CD LYS A 45 2.508 3.163 7.015 1.00 0.00 C ATOM 591 CE LYS A 45 3.741 2.404 7.482 1.00 0.00 C ATOM 592 NZ LYS A 45 4.305 2.979 8.734 1.00 0.00 N ATOM 0 H LYS A 45 3.179 7.047 7.184 1.00 0.00 H new ATOM 0 HA LYS A 45 2.754 6.443 4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.433 5.588 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.914 4.941 5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.097 3.978 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.790 4.804 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.952 3.523 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.848 2.488 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.483 1.358 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.499 2.425 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.191 2.489 8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.496 3.992 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.623 2.859 9.509 1.00 0.00 H new ATOM 606 N ARG A 46 0.199 7.963 5.949 1.00 0.00 N ATOM 607 CA ARG A 46 -1.014 8.728 5.682 1.00 0.00 C ATOM 608 C ARG A 46 -0.881 9.523 4.387 1.00 0.00 C ATOM 609 O ARG A 46 -1.812 9.582 3.585 1.00 0.00 O ATOM 610 CB ARG A 46 -1.312 9.674 6.846 1.00 0.00 C ATOM 611 CG ARG A 46 -1.598 8.958 8.156 1.00 0.00 C ATOM 612 CD ARG A 46 -1.406 9.880 9.349 1.00 0.00 C ATOM 613 NE ARG A 46 -2.248 9.497 10.479 1.00 0.00 N ATOM 614 CZ ARG A 46 -1.961 9.789 11.742 1.00 0.00 C ATOM 615 NH1 ARG A 46 -0.858 10.463 12.036 1.00 0.00 N ATOM 616 NH2 ARG A 46 -2.778 9.406 12.715 1.00 0.00 N ATOM 0 H ARG A 46 0.425 7.862 6.938 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.840 8.026 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.463 10.343 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.169 10.296 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.620 8.579 8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.939 8.095 8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.360 9.864 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.637 10.904 9.056 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.104 8.976 10.287 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.227 10.759 11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.640 10.686 13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.627 8.887 12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.557 9.631 13.685 1.00 0.00 H new ATOM 630 N ALA A 47 0.283 10.134 4.190 1.00 0.00 N ATOM 631 CA ALA A 47 0.538 10.925 2.993 1.00 0.00 C ATOM 632 C ALA A 47 0.522 10.050 1.744 1.00 0.00 C ATOM 633 O ALA A 47 1.341 9.144 1.598 1.00 0.00 O ATOM 634 CB ALA A 47 1.870 11.651 3.114 1.00 0.00 C ATOM 0 H ALA A 47 1.064 10.096 4.845 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.258 11.663 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.048 12.238 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.846 12.313 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.672 10.923 3.236 1.00 0.00 H new ATOM 640 N GLY A 48 -0.418 10.328 0.845 1.00 0.00 N ATOM 641 CA GLY A 48 -0.523 9.556 -0.380 1.00 0.00 C ATOM 642 C GLY A 48 -0.327 8.071 -0.149 1.00 0.00 C ATOM 643 O GLY A 48 0.465 7.428 -0.838 1.00 0.00 O ATOM 0 H GLY A 48 -1.108 11.073 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.502 9.724 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.220 9.911 -1.094 1.00 0.00 H new ATOM 647 N TRP A 49 -1.048 7.526 0.824 1.00 0.00 N ATOM 648 CA TRP A 49 -0.948 6.107 1.146 1.00 0.00 C ATOM 649 C TRP A 49 -1.568 5.254 0.044 1.00 0.00 C ATOM 650 O TRP A 49 -2.716 5.466 -0.344 1.00 0.00 O ATOM 651 CB TRP A 49 -1.635 5.816 2.481 1.00 0.00 C ATOM 652 CG TRP A 49 -1.828 4.352 2.743 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.963 3.514 3.387 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.956 3.556 2.365 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.486 2.244 3.433 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.708 2.244 2.814 1.00 0.00 C ATOM 657 CE3 TRP A 49 -4.152 3.823 1.695 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.612 1.204 2.610 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -5.048 2.791 1.493 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.775 1.495 1.950 1.00 0.00 C ATOM 0 H TRP A 49 -1.708 8.045 1.404 1.00 0.00 H new ATOM 0 HA TRP A 49 0.109 5.852 1.226 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.043 6.247 3.288 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.606 6.312 2.498 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.009 3.806 3.799 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -1.037 1.433 3.859 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.373 4.819 1.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.403 0.204 2.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.975 2.987 0.974 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.497 0.710 1.778 1.00 0.00 H new ATOM 671 N GLN A 50 -0.801 4.290 -0.454 1.00 0.00 N ATOM 672 CA GLN A 50 -1.277 3.406 -1.512 1.00 0.00 C ATOM 673 C GLN A 50 -1.612 2.025 -0.957 1.00 0.00 C ATOM 674 O GLN A 50 -0.789 1.394 -0.295 1.00 0.00 O ATOM 675 CB GLN A 50 -0.224 3.283 -2.615 1.00 0.00 C ATOM 676 CG GLN A 50 -0.816 3.123 -4.006 1.00 0.00 C ATOM 677 CD GLN A 50 0.223 3.259 -5.102 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.255 3.903 -4.918 1.00 0.00 O ATOM 679 NE2 GLN A 50 -0.046 2.650 -6.251 1.00 0.00 N ATOM 0 H GLN A 50 0.152 4.101 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.185 3.839 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.412 4.168 -2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.416 2.427 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.294 2.146 -4.083 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.594 3.872 -4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.915 2.126 -6.360 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.616 2.706 -7.025 1.00 0.00 H new ATOM 688 N CYS A 51 -2.827 1.562 -1.232 1.00 0.00 N ATOM 689 CA CYS A 51 -3.273 0.257 -0.761 1.00 0.00 C ATOM 690 C CYS A 51 -2.355 -0.849 -1.273 1.00 0.00 C ATOM 691 O CYS A 51 -1.643 -0.690 -2.264 1.00 0.00 O ATOM 692 CB CYS A 51 -4.711 -0.008 -1.213 1.00 0.00 C ATOM 693 SG CYS A 51 -4.849 -0.647 -2.914 1.00 0.00 S ATOM 0 H CYS A 51 -3.520 2.072 -1.779 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.237 0.260 0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.170 -0.722 -0.529 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.281 0.918 -1.136 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.872 -0.101 -3.501 1.00 0.00 H new ATOM 698 N PRO A 52 -2.372 -1.999 -0.582 1.00 0.00 N ATOM 699 CA PRO A 52 -1.547 -3.154 -0.948 1.00 0.00 C ATOM 700 C PRO A 52 -2.014 -3.812 -2.242 1.00 0.00 C ATOM 701 O PRO A 52 -1.397 -4.762 -2.723 1.00 0.00 O ATOM 702 CB PRO A 52 -1.731 -4.110 0.234 1.00 0.00 C ATOM 703 CG PRO A 52 -3.051 -3.741 0.817 1.00 0.00 C ATOM 704 CD PRO A 52 -3.196 -2.259 0.610 1.00 0.00 C ATOM 0 HA PRO A 52 -0.510 -2.873 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.719 -5.150 -0.092 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.930 -3.996 0.964 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.859 -4.284 0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.094 -3.993 1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.236 -1.976 0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.842 -1.696 1.474 1.00 0.00 H new ATOM 712 N GLU A 53 -3.106 -3.300 -2.801 1.00 0.00 N ATOM 713 CA GLU A 53 -3.654 -3.840 -4.039 1.00 0.00 C ATOM 714 C GLU A 53 -3.200 -3.014 -5.240 1.00 0.00 C ATOM 715 O GLU A 53 -3.384 -3.416 -6.389 1.00 0.00 O ATOM 716 CB GLU A 53 -5.183 -3.870 -3.976 1.00 0.00 C ATOM 717 CG GLU A 53 -5.727 -4.454 -2.683 1.00 0.00 C ATOM 718 CD GLU A 53 -7.155 -4.944 -2.820 1.00 0.00 C ATOM 719 OE1 GLU A 53 -8.017 -4.149 -3.249 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.410 -6.124 -2.498 1.00 0.00 O ATOM 0 H GLU A 53 -3.628 -2.513 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.282 -4.858 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.563 -2.855 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.562 -4.453 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.092 -5.281 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.680 -3.698 -1.899 1.00 0.00 H new ATOM 727 N CYS A 54 -2.606 -1.858 -4.965 1.00 0.00 N ATOM 728 CA CYS A 54 -2.127 -0.974 -6.020 1.00 0.00 C ATOM 729 C CYS A 54 -0.624 -0.739 -5.892 1.00 0.00 C ATOM 730 O CYS A 54 0.104 -0.747 -6.885 1.00 0.00 O ATOM 731 CB CYS A 54 -2.869 0.363 -5.971 1.00 0.00 C ATOM 732 SG CYS A 54 -4.632 0.251 -6.413 1.00 0.00 S ATOM 0 H CYS A 54 -2.445 -1.511 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.322 -1.455 -6.979 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.783 0.778 -4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.379 1.063 -6.648 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.318 -0.119 -5.372 1.00 0.00 H new ATOM 737 N LYS A 55 -0.166 -0.530 -4.662 1.00 0.00 N ATOM 738 CA LYS A 55 1.249 -0.295 -4.402 1.00 0.00 C ATOM 739 C LYS A 55 2.120 -1.099 -5.362 1.00 0.00 C ATOM 740 O LYS A 55 1.867 -2.278 -5.606 1.00 0.00 O ATOM 741 CB LYS A 55 1.590 -0.663 -2.956 1.00 0.00 C ATOM 742 CG LYS A 55 2.003 -2.114 -2.779 1.00 0.00 C ATOM 743 CD LYS A 55 2.551 -2.372 -1.386 1.00 0.00 C ATOM 744 CE LYS A 55 3.473 -3.581 -1.365 1.00 0.00 C ATOM 745 NZ LYS A 55 2.877 -4.746 -2.076 1.00 0.00 N ATOM 0 H LYS A 55 -0.755 -0.519 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 55 1.451 0.765 -4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.397 -0.019 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.725 -0.461 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.145 -2.762 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.758 -2.371 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.094 -1.493 -1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.725 -2.531 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.424 -3.320 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.687 -3.857 -0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.443 -5.597 -1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.903 -4.895 -1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.868 -4.561 -3.099 1.00 0.00 H new ATOM 759 N VAL A 56 3.148 -0.453 -5.903 1.00 0.00 N ATOM 760 CA VAL A 56 4.058 -1.109 -6.834 1.00 0.00 C ATOM 761 C VAL A 56 5.500 -0.676 -6.590 1.00 0.00 C ATOM 762 O VAL A 56 5.762 0.233 -5.802 1.00 0.00 O ATOM 763 CB VAL A 56 3.682 -0.803 -8.296 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.267 -1.274 -8.593 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.829 0.684 -8.583 1.00 0.00 C ATOM 0 H VAL A 56 3.371 0.524 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 56 3.969 -2.181 -6.661 1.00 0.00 H new ATOM 0 HB VAL A 56 4.365 -1.346 -8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.019 -1.049 -9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.199 -2.349 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.567 -0.761 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.559 0.883 -9.620 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.171 1.249 -7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.862 0.987 -8.412 1.00 0.00 H new ATOM 775 N CYS A 57 6.432 -1.333 -7.272 1.00 0.00 N ATOM 776 CA CYS A 57 7.848 -1.017 -7.130 1.00 0.00 C ATOM 777 C CYS A 57 8.155 0.369 -7.688 1.00 0.00 C ATOM 778 O CYS A 57 8.139 0.578 -8.901 1.00 0.00 O ATOM 779 CB CYS A 57 8.700 -2.067 -7.847 1.00 0.00 C ATOM 780 SG CYS A 57 10.493 -1.869 -7.593 1.00 0.00 S ATOM 0 H CYS A 57 6.232 -2.088 -7.929 1.00 0.00 H new ATOM 0 HA CYS A 57 8.091 -1.024 -6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.402 -3.058 -7.503 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.488 -2.024 -8.915 1.00 0.00 H new ATOM 0 HG CYS A 57 11.100 -2.976 -7.903 1.00 0.00 H new ATOM 785 N GLN A 58 8.433 1.313 -6.794 1.00 0.00 N ATOM 786 CA GLN A 58 8.743 2.679 -7.197 1.00 0.00 C ATOM 787 C GLN A 58 10.057 2.735 -7.968 1.00 0.00 C ATOM 788 O GLN A 58 10.313 3.682 -8.710 1.00 0.00 O ATOM 789 CB GLN A 58 8.819 3.590 -5.971 1.00 0.00 C ATOM 790 CG GLN A 58 7.458 3.979 -5.416 1.00 0.00 C ATOM 791 CD GLN A 58 6.800 5.091 -6.209 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.103 6.269 -6.016 1.00 0.00 O ATOM 793 NE2 GLN A 58 5.895 4.723 -7.108 1.00 0.00 N ATOM 0 H GLN A 58 8.450 1.156 -5.786 1.00 0.00 H new ATOM 0 HA GLN A 58 7.944 3.027 -7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.390 3.088 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.367 4.495 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.807 3.105 -5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.570 4.295 -4.379 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.675 3.735 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.420 5.428 -7.672 1.00 0.00 H new ATOM 802 N ASN A 59 10.887 1.712 -7.788 1.00 0.00 N ATOM 803 CA ASN A 59 12.177 1.646 -8.466 1.00 0.00 C ATOM 804 C ASN A 59 11.992 1.427 -9.965 1.00 0.00 C ATOM 805 O ASN A 59 12.471 2.213 -10.782 1.00 0.00 O ATOM 806 CB ASN A 59 13.029 0.520 -7.876 1.00 0.00 C ATOM 807 CG ASN A 59 14.513 0.747 -8.089 1.00 0.00 C ATOM 808 OD1 ASN A 59 15.076 0.337 -9.104 1.00 0.00 O ATOM 809 ND2 ASN A 59 15.155 1.404 -7.129 1.00 0.00 N ATOM 0 H ASN A 59 10.689 0.918 -7.179 1.00 0.00 H new ATOM 0 HA ASN A 59 12.689 2.597 -8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.826 0.436 -6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.740 -0.427 -8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 59 16.155 1.587 -7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.648 1.726 -6.304 1.00 0.00 H new ATOM 816 N CYS A 60 11.293 0.353 -10.319 1.00 0.00 N ATOM 817 CA CYS A 60 11.044 0.029 -11.718 1.00 0.00 C ATOM 818 C CYS A 60 9.597 0.334 -12.097 1.00 0.00 C ATOM 819 O CYS A 60 9.103 -0.127 -13.127 1.00 0.00 O ATOM 820 CB CYS A 60 11.353 -1.445 -11.985 1.00 0.00 C ATOM 821 SG CYS A 60 10.220 -2.605 -11.155 1.00 0.00 S ATOM 0 H CYS A 60 10.889 -0.308 -9.655 1.00 0.00 H new ATOM 0 HA CYS A 60 11.700 0.647 -12.331 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.316 -1.624 -13.060 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.372 -1.656 -11.662 1.00 0.00 H new ATOM 0 HG CYS A 60 10.338 -2.480 -9.866 1.00 0.00 H new ATOM 826 N LYS A 61 8.923 1.112 -11.258 1.00 0.00 N ATOM 827 CA LYS A 61 7.534 1.481 -11.505 1.00 0.00 C ATOM 828 C LYS A 61 6.749 0.300 -12.067 1.00 0.00 C ATOM 829 O LYS A 61 6.025 0.438 -13.053 1.00 0.00 O ATOM 830 CB LYS A 61 7.462 2.663 -12.474 1.00 0.00 C ATOM 831 CG LYS A 61 8.171 3.907 -11.969 1.00 0.00 C ATOM 832 CD LYS A 61 7.356 4.620 -10.903 1.00 0.00 C ATOM 833 CE LYS A 61 8.202 5.619 -10.129 1.00 0.00 C ATOM 834 NZ LYS A 61 8.479 6.846 -10.927 1.00 0.00 N ATOM 0 H LYS A 61 9.316 1.500 -10.400 1.00 0.00 H new ATOM 0 HA LYS A 61 7.088 1.772 -10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.900 2.367 -13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.416 2.903 -12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.144 3.632 -11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.355 4.585 -12.802 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.517 5.137 -11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.936 3.887 -10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.688 5.893 -9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.144 5.152 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.058 7.502 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.992 6.588 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.581 7.306 -11.180 1.00 0.00 H new ATOM 848 N GLN A 62 6.897 -0.859 -11.433 1.00 0.00 N ATOM 849 CA GLN A 62 6.201 -2.063 -11.871 1.00 0.00 C ATOM 850 C GLN A 62 5.846 -2.950 -10.682 1.00 0.00 C ATOM 851 O GLN A 62 6.399 -2.795 -9.593 1.00 0.00 O ATOM 852 CB GLN A 62 7.064 -2.843 -12.865 1.00 0.00 C ATOM 853 CG GLN A 62 7.231 -2.145 -14.205 1.00 0.00 C ATOM 854 CD GLN A 62 6.105 -2.458 -15.170 1.00 0.00 C ATOM 855 OE1 GLN A 62 5.613 -3.585 -15.225 1.00 0.00 O ATOM 856 NE2 GLN A 62 5.689 -1.458 -15.939 1.00 0.00 N ATOM 0 H GLN A 62 7.492 -0.989 -10.615 1.00 0.00 H new ATOM 0 HA GLN A 62 5.277 -1.760 -12.363 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.048 -3.009 -12.426 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.618 -3.824 -13.029 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.279 -1.068 -14.046 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.180 -2.444 -14.650 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.125 -0.539 -15.861 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.934 -1.609 -16.608 1.00 0.00 H new ATOM 865 N SER A 63 4.921 -3.879 -10.898 1.00 0.00 N ATOM 866 CA SER A 63 4.490 -4.788 -9.843 1.00 0.00 C ATOM 867 C SER A 63 4.536 -6.237 -10.321 1.00 0.00 C ATOM 868 O SER A 63 4.029 -6.565 -11.393 1.00 0.00 O ATOM 869 CB SER A 63 3.073 -4.435 -9.385 1.00 0.00 C ATOM 870 OG SER A 63 2.209 -4.255 -10.493 1.00 0.00 O ATOM 0 H SER A 63 4.455 -4.022 -11.794 1.00 0.00 H new ATOM 0 HA SER A 63 5.174 -4.680 -9.002 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.687 -5.227 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.097 -3.524 -8.787 1.00 0.00 H new ATOM 0 HG SER A 63 2.528 -4.794 -11.247 1.00 0.00 H new ATOM 876 N GLY A 64 5.148 -7.100 -9.516 1.00 0.00 N ATOM 877 CA GLY A 64 5.249 -8.503 -9.873 1.00 0.00 C ATOM 878 C GLY A 64 5.470 -9.394 -8.666 1.00 0.00 C ATOM 879 O GLY A 64 4.629 -9.452 -7.769 1.00 0.00 O ATOM 0 H GLY A 64 5.575 -6.853 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.338 -8.811 -10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.071 -8.638 -10.576 1.00 0.00 H new ATOM 883 N GLU A 65 6.602 -10.089 -8.645 1.00 0.00 N ATOM 884 CA GLU A 65 6.928 -10.983 -7.540 1.00 0.00 C ATOM 885 C GLU A 65 6.504 -10.376 -6.206 1.00 0.00 C ATOM 886 O GLU A 65 7.147 -9.458 -5.697 1.00 0.00 O ATOM 887 CB GLU A 65 8.429 -11.282 -7.522 1.00 0.00 C ATOM 888 CG GLU A 65 8.895 -12.125 -8.698 1.00 0.00 C ATOM 889 CD GLU A 65 8.744 -13.612 -8.446 1.00 0.00 C ATOM 890 OE1 GLU A 65 9.319 -14.108 -7.455 1.00 0.00 O ATOM 891 OE2 GLU A 65 8.050 -14.280 -9.241 1.00 0.00 O ATOM 0 H GLU A 65 7.309 -10.051 -9.380 1.00 0.00 H new ATOM 0 HA GLU A 65 6.381 -11.914 -7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.979 -10.341 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.677 -11.798 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.324 -11.851 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.940 -11.900 -8.909 1.00 0.00 H new ATOM 898 N ASP A 66 5.417 -10.895 -5.645 1.00 0.00 N ATOM 899 CA ASP A 66 4.906 -10.406 -4.370 1.00 0.00 C ATOM 900 C ASP A 66 5.834 -10.800 -3.225 1.00 0.00 C ATOM 901 O ASP A 66 6.087 -10.009 -2.317 1.00 0.00 O ATOM 902 CB ASP A 66 3.501 -10.953 -4.116 1.00 0.00 C ATOM 903 CG ASP A 66 2.811 -10.259 -2.957 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.669 -9.020 -3.008 1.00 0.00 O ATOM 905 OD2 ASP A 66 2.413 -10.956 -2.000 1.00 0.00 O ATOM 0 H ASP A 66 4.873 -11.655 -6.054 1.00 0.00 H new ATOM 0 HA ASP A 66 4.860 -9.318 -4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.899 -10.834 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.562 -12.022 -3.912 1.00 0.00 H new ATOM 910 N SER A 67 6.338 -12.029 -3.276 1.00 0.00 N ATOM 911 CA SER A 67 7.234 -12.531 -2.240 1.00 0.00 C ATOM 912 C SER A 67 8.576 -11.807 -2.285 1.00 0.00 C ATOM 913 O SER A 67 9.057 -11.303 -1.270 1.00 0.00 O ATOM 914 CB SER A 67 7.449 -14.037 -2.408 1.00 0.00 C ATOM 915 OG SER A 67 6.459 -14.773 -1.710 1.00 0.00 O ATOM 0 H SER A 67 6.141 -12.695 -4.023 1.00 0.00 H new ATOM 0 HA SER A 67 6.771 -12.343 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.421 -14.296 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.438 -14.310 -2.039 1.00 0.00 H new ATOM 0 HG SER A 67 6.617 -15.732 -1.834 1.00 0.00 H new ATOM 921 N LYS A 68 9.176 -11.759 -3.470 1.00 0.00 N ATOM 922 CA LYS A 68 10.462 -11.096 -3.651 1.00 0.00 C ATOM 923 C LYS A 68 10.374 -9.623 -3.262 1.00 0.00 C ATOM 924 O LYS A 68 11.245 -9.103 -2.566 1.00 0.00 O ATOM 925 CB LYS A 68 10.925 -11.223 -5.104 1.00 0.00 C ATOM 926 CG LYS A 68 11.185 -12.656 -5.535 1.00 0.00 C ATOM 927 CD LYS A 68 12.518 -13.163 -5.012 1.00 0.00 C ATOM 928 CE LYS A 68 13.122 -14.204 -5.942 1.00 0.00 C ATOM 929 NZ LYS A 68 14.371 -14.791 -5.380 1.00 0.00 N ATOM 0 H LYS A 68 8.792 -12.172 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 68 11.188 -11.583 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.169 -10.787 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.836 -10.641 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.383 -13.298 -5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.173 -12.717 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.209 -12.327 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.381 -13.595 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.396 -14.997 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.338 -13.747 -6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.752 -15.496 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.073 -14.038 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.160 -15.249 -4.471 1.00 0.00 H new ATOM 943 N MET A 69 9.316 -8.958 -3.714 1.00 0.00 N ATOM 944 CA MET A 69 9.114 -7.546 -3.411 1.00 0.00 C ATOM 945 C MET A 69 9.271 -7.284 -1.916 1.00 0.00 C ATOM 946 O MET A 69 8.933 -8.130 -1.088 1.00 0.00 O ATOM 947 CB MET A 69 7.729 -7.095 -3.876 1.00 0.00 C ATOM 948 CG MET A 69 7.487 -5.604 -3.711 1.00 0.00 C ATOM 949 SD MET A 69 7.843 -4.672 -5.213 1.00 0.00 S ATOM 950 CE MET A 69 6.258 -3.895 -5.514 1.00 0.00 C ATOM 0 H MET A 69 8.585 -9.374 -4.291 1.00 0.00 H new ATOM 0 HA MET A 69 9.872 -6.973 -3.945 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.603 -7.361 -4.926 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.971 -7.642 -3.315 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.449 -5.438 -3.423 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.108 -5.227 -2.898 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.068 -3.859 -6.587 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.472 -4.471 -5.025 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.268 -2.881 -5.113 1.00 0.00 H new ATOM 960 N LEU A 70 9.787 -6.107 -1.578 1.00 0.00 N ATOM 961 CA LEU A 70 9.989 -5.733 -0.182 1.00 0.00 C ATOM 962 C LEU A 70 9.056 -4.594 0.217 1.00 0.00 C ATOM 963 O LEU A 70 8.674 -3.770 -0.614 1.00 0.00 O ATOM 964 CB LEU A 70 11.444 -5.322 0.050 1.00 0.00 C ATOM 965 CG LEU A 70 12.467 -6.458 0.076 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.812 -5.977 -0.445 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.607 -7.018 1.484 1.00 0.00 C ATOM 0 H LEU A 70 10.073 -5.396 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 70 9.759 -6.599 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.731 -4.619 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.502 -4.786 0.997 1.00 0.00 H new ATOM 0 HG LEU A 70 12.112 -7.256 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.527 -6.799 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.700 -5.625 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.174 -5.161 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.339 -7.825 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.938 -6.228 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.644 -7.402 1.820 1.00 0.00 H new ATOM 979 N VAL A 71 8.696 -4.551 1.496 1.00 0.00 N ATOM 980 CA VAL A 71 7.811 -3.511 2.006 1.00 0.00 C ATOM 981 C VAL A 71 8.493 -2.699 3.101 1.00 0.00 C ATOM 982 O VAL A 71 9.206 -3.246 3.943 1.00 0.00 O ATOM 983 CB VAL A 71 6.505 -4.109 2.563 1.00 0.00 C ATOM 984 CG1 VAL A 71 5.595 -3.008 3.087 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.800 -4.933 1.497 1.00 0.00 C ATOM 0 H VAL A 71 9.004 -5.224 2.198 1.00 0.00 H new ATOM 0 HA VAL A 71 7.573 -2.857 1.167 1.00 0.00 H new ATOM 0 HB VAL A 71 6.753 -4.769 3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.677 -3.449 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.103 -2.464 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.352 -2.321 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.879 -5.348 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.563 -4.298 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.452 -5.745 1.175 1.00 0.00 H new ATOM 995 N CYS A 72 8.269 -1.389 3.085 1.00 0.00 N ATOM 996 CA CYS A 72 8.861 -0.499 4.076 1.00 0.00 C ATOM 997 C CYS A 72 7.964 -0.380 5.305 1.00 0.00 C ATOM 998 O CYS A 72 6.746 -0.249 5.186 1.00 0.00 O ATOM 999 CB CYS A 72 9.102 0.885 3.470 1.00 0.00 C ATOM 1000 SG CYS A 72 10.323 1.890 4.375 1.00 0.00 S ATOM 0 H CYS A 72 7.681 -0.920 2.396 1.00 0.00 H new ATOM 0 HA CYS A 72 9.816 -0.924 4.385 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.437 0.765 2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.156 1.425 3.436 1.00 0.00 H new ATOM 0 HG CYS A 72 10.968 2.647 3.538 1.00 0.00 H new ATOM 1005 N ASP A 73 8.575 -0.425 6.483 1.00 0.00 N ATOM 1006 CA ASP A 73 7.833 -0.320 7.734 1.00 0.00 C ATOM 1007 C ASP A 73 7.678 1.138 8.154 1.00 0.00 C ATOM 1008 O ASP A 73 7.214 1.433 9.256 1.00 0.00 O ATOM 1009 CB ASP A 73 8.539 -1.110 8.838 1.00 0.00 C ATOM 1010 CG ASP A 73 9.622 -0.302 9.526 1.00 0.00 C ATOM 1011 OD1 ASP A 73 10.396 0.376 8.818 1.00 0.00 O ATOM 1012 OD2 ASP A 73 9.694 -0.347 10.772 1.00 0.00 O ATOM 0 H ASP A 73 9.583 -0.534 6.598 1.00 0.00 H new ATOM 0 HA ASP A 73 6.840 -0.740 7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.805 -1.432 9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.978 -2.012 8.411 1.00 0.00 H new ATOM 1017 N THR A 74 8.072 2.049 7.269 1.00 0.00 N ATOM 1018 CA THR A 74 7.979 3.476 7.548 1.00 0.00 C ATOM 1019 C THR A 74 7.044 4.169 6.563 1.00 0.00 C ATOM 1020 O THR A 74 6.024 4.736 6.955 1.00 0.00 O ATOM 1021 CB THR A 74 9.362 4.151 7.488 1.00 0.00 C ATOM 1022 OG1 THR A 74 10.242 3.554 8.447 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.248 5.644 7.758 1.00 0.00 C ATOM 0 H THR A 74 8.459 1.823 6.353 1.00 0.00 H new ATOM 0 HA THR A 74 7.578 3.576 8.557 1.00 0.00 H new ATOM 0 HB THR A 74 9.767 4.008 6.486 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.268 2.584 8.308 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.237 6.099 7.710 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.602 6.101 7.008 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.823 5.803 8.749 1.00 0.00 H new ATOM 1031 N CYS A 75 7.398 4.120 5.284 1.00 0.00 N ATOM 1032 CA CYS A 75 6.591 4.743 4.242 1.00 0.00 C ATOM 1033 C CYS A 75 5.572 3.756 3.680 1.00 0.00 C ATOM 1034 O CYS A 75 4.556 4.154 3.110 1.00 0.00 O ATOM 1035 CB CYS A 75 7.487 5.263 3.116 1.00 0.00 C ATOM 1036 SG CYS A 75 8.282 3.953 2.132 1.00 0.00 S ATOM 0 H CYS A 75 8.239 3.655 4.944 1.00 0.00 H new ATOM 0 HA CYS A 75 6.053 5.581 4.686 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.891 5.890 2.452 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.260 5.899 3.546 1.00 0.00 H new ATOM 0 HG CYS A 75 9.156 3.330 2.865 1.00 0.00 H new ATOM 1041 N ASP A 76 5.851 2.468 3.846 1.00 0.00 N ATOM 1042 CA ASP A 76 4.958 1.423 3.357 1.00 0.00 C ATOM 1043 C ASP A 76 4.947 1.388 1.832 1.00 0.00 C ATOM 1044 O ASP A 76 3.887 1.433 1.207 1.00 0.00 O ATOM 1045 CB ASP A 76 3.540 1.646 3.885 1.00 0.00 C ATOM 1046 CG ASP A 76 2.724 0.369 3.911 1.00 0.00 C ATOM 1047 OD1 ASP A 76 2.960 -0.503 3.048 1.00 0.00 O ATOM 1048 OD2 ASP A 76 1.851 0.241 4.793 1.00 0.00 O ATOM 0 H ASP A 76 6.688 2.122 4.315 1.00 0.00 H new ATOM 0 HA ASP A 76 5.326 0.464 3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.591 2.061 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.035 2.384 3.261 1.00 0.00 H new ATOM 1053 N LYS A 77 6.133 1.308 1.238 1.00 0.00 N ATOM 1054 CA LYS A 77 6.261 1.266 -0.213 1.00 0.00 C ATOM 1055 C LYS A 77 6.758 -0.100 -0.677 1.00 0.00 C ATOM 1056 O LYS A 77 7.125 -0.946 0.137 1.00 0.00 O ATOM 1057 CB LYS A 77 7.219 2.359 -0.693 1.00 0.00 C ATOM 1058 CG LYS A 77 6.560 3.718 -0.852 1.00 0.00 C ATOM 1059 CD LYS A 77 5.714 3.784 -2.113 1.00 0.00 C ATOM 1060 CE LYS A 77 5.028 5.134 -2.254 1.00 0.00 C ATOM 1061 NZ LYS A 77 3.914 5.090 -3.241 1.00 0.00 N ATOM 0 H LYS A 77 7.020 1.271 1.740 1.00 0.00 H new ATOM 0 HA LYS A 77 5.275 1.440 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.043 2.445 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.650 2.059 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.936 3.924 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.326 4.493 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.343 3.602 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.963 2.994 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.642 5.448 -1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.758 5.882 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.472 6.029 -3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.286 4.815 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.204 4.395 -2.933 1.00 0.00 H new ATOM 1075 N GLY A 78 6.767 -0.307 -1.990 1.00 0.00 N ATOM 1076 CA GLY A 78 7.223 -1.571 -2.539 1.00 0.00 C ATOM 1077 C GLY A 78 8.541 -1.442 -3.276 1.00 0.00 C ATOM 1078 O GLY A 78 8.731 -0.516 -4.064 1.00 0.00 O ATOM 0 H GLY A 78 6.467 0.378 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.331 -2.296 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.467 -1.962 -3.220 1.00 0.00 H new ATOM 1082 N TYR A 79 9.454 -2.372 -3.019 1.00 0.00 N ATOM 1083 CA TYR A 79 10.763 -2.356 -3.661 1.00 0.00 C ATOM 1084 C TYR A 79 11.282 -3.774 -3.874 1.00 0.00 C ATOM 1085 O TYR A 79 11.484 -4.525 -2.919 1.00 0.00 O ATOM 1086 CB TYR A 79 11.758 -1.558 -2.817 1.00 0.00 C ATOM 1087 CG TYR A 79 11.572 -0.061 -2.915 1.00 0.00 C ATOM 1088 CD1 TYR A 79 10.559 0.580 -2.212 1.00 0.00 C ATOM 1089 CD2 TYR A 79 12.408 0.713 -3.710 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.384 1.948 -2.299 1.00 0.00 C ATOM 1091 CE2 TYR A 79 12.241 2.081 -3.802 1.00 0.00 C ATOM 1092 CZ TYR A 79 11.228 2.694 -3.095 1.00 0.00 C ATOM 1093 OH TYR A 79 11.058 4.057 -3.185 1.00 0.00 O ATOM 0 H TYR A 79 9.312 -3.146 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 79 10.657 -1.877 -4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.661 -1.860 -1.774 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.771 -1.811 -3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.897 -0.001 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 79 13.202 0.237 -4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.591 2.430 -1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.900 2.668 -4.424 1.00 0.00 H new ATOM 0 HH TYR A 79 11.735 4.432 -3.786 1.00 0.00 H new ATOM 1103 N HIS A 80 11.497 -4.135 -5.135 1.00 0.00 N ATOM 1104 CA HIS A 80 11.995 -5.463 -5.476 1.00 0.00 C ATOM 1105 C HIS A 80 13.410 -5.667 -4.943 1.00 0.00 C ATOM 1106 O HIS A 80 14.183 -4.716 -4.823 1.00 0.00 O ATOM 1107 CB HIS A 80 11.975 -5.665 -6.992 1.00 0.00 C ATOM 1108 CG HIS A 80 10.595 -5.709 -7.572 1.00 0.00 C ATOM 1109 ND1 HIS A 80 10.273 -5.150 -8.791 1.00 0.00 N ATOM 1110 CD2 HIS A 80 9.451 -6.252 -7.095 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.990 -5.345 -9.037 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.468 -6.012 -8.023 1.00 0.00 N ATOM 0 H HIS A 80 11.334 -3.527 -5.937 1.00 0.00 H new ATOM 0 HA HIS A 80 11.340 -6.199 -5.010 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.534 -4.857 -7.465 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.492 -6.594 -7.233 1.00 0.00 H new ATOM 0 HD1 HIS A 80 10.924 -4.662 -9.406 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.333 -6.777 -6.158 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.458 -5.015 -9.917 1.00 0.00 H new ATOM 1120 N THR A 81 13.742 -6.914 -4.622 1.00 0.00 N ATOM 1121 CA THR A 81 15.062 -7.242 -4.099 1.00 0.00 C ATOM 1122 C THR A 81 16.136 -7.065 -5.167 1.00 0.00 C ATOM 1123 O THR A 81 17.320 -6.933 -4.855 1.00 0.00 O ATOM 1124 CB THR A 81 15.113 -8.688 -3.571 1.00 0.00 C ATOM 1125 OG1 THR A 81 14.357 -9.550 -4.429 1.00 0.00 O ATOM 1126 CG2 THR A 81 14.565 -8.766 -2.154 1.00 0.00 C ATOM 0 H THR A 81 13.115 -7.713 -4.715 1.00 0.00 H new ATOM 0 HA THR A 81 15.256 -6.555 -3.275 1.00 0.00 H new ATOM 0 HB THR A 81 16.154 -9.011 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.326 -9.168 -5.331 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.611 -9.797 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.161 -8.132 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.530 -8.426 -2.145 1.00 0.00 H new ATOM 1134 N PHE A 82 15.716 -7.062 -6.427 1.00 0.00 N ATOM 1135 CA PHE A 82 16.642 -6.901 -7.542 1.00 0.00 C ATOM 1136 C PHE A 82 16.449 -5.547 -8.219 1.00 0.00 C ATOM 1137 O PHE A 82 16.726 -5.389 -9.408 1.00 0.00 O ATOM 1138 CB PHE A 82 16.448 -8.025 -8.561 1.00 0.00 C ATOM 1139 CG PHE A 82 15.030 -8.513 -8.652 1.00 0.00 C ATOM 1140 CD1 PHE A 82 14.497 -9.321 -7.661 1.00 0.00 C ATOM 1141 CD2 PHE A 82 14.231 -8.164 -9.729 1.00 0.00 C ATOM 1142 CE1 PHE A 82 13.192 -9.772 -7.742 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.926 -8.611 -9.815 1.00 0.00 C ATOM 1144 CZ PHE A 82 12.407 -9.417 -8.821 1.00 0.00 C ATOM 0 H PHE A 82 14.740 -7.169 -6.702 1.00 0.00 H new ATOM 0 HA PHE A 82 17.657 -6.949 -7.148 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.767 -7.674 -9.542 1.00 0.00 H new ATOM 0 HB3 PHE A 82 17.095 -8.861 -8.296 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.107 -9.602 -6.816 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.633 -7.536 -10.510 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.788 -10.401 -6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.313 -8.330 -10.659 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.388 -9.769 -8.888 1.00 0.00 H new ATOM 1154 N CYS A 83 15.971 -4.572 -7.452 1.00 0.00 N ATOM 1155 CA CYS A 83 15.739 -3.232 -7.976 1.00 0.00 C ATOM 1156 C CYS A 83 16.469 -2.186 -7.137 1.00 0.00 C ATOM 1157 O CYS A 83 16.676 -1.055 -7.578 1.00 0.00 O ATOM 1158 CB CYS A 83 14.240 -2.924 -8.002 1.00 0.00 C ATOM 1159 SG CYS A 83 13.385 -3.521 -9.496 1.00 0.00 S ATOM 0 H CYS A 83 15.737 -4.686 -6.466 1.00 0.00 H new ATOM 0 HA CYS A 83 16.129 -3.194 -8.993 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.772 -3.372 -7.125 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.100 -1.846 -7.922 1.00 0.00 H new ATOM 0 HG CYS A 83 12.276 -2.861 -9.654 1.00 0.00 H new ATOM 1164 N LEU A 84 16.857 -2.573 -5.927 1.00 0.00 N ATOM 1165 CA LEU A 84 17.565 -1.670 -5.026 1.00 0.00 C ATOM 1166 C LEU A 84 19.034 -1.549 -5.420 1.00 0.00 C ATOM 1167 O LEU A 84 19.624 -2.491 -5.947 1.00 0.00 O ATOM 1168 CB LEU A 84 17.451 -2.165 -3.583 1.00 0.00 C ATOM 1169 CG LEU A 84 16.039 -2.210 -2.999 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.927 -3.314 -1.959 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.670 -0.864 -2.392 1.00 0.00 C ATOM 0 H LEU A 84 16.694 -3.505 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 84 17.105 -0.685 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.877 -3.167 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.064 -1.523 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 84 15.339 -2.426 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.915 -3.331 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.148 -4.275 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.637 -3.128 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.662 -0.914 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.374 -0.618 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.710 -0.094 -3.163 1.00 0.00 H new ATOM 1183 N GLN A 85 19.617 -0.384 -5.157 1.00 0.00 N ATOM 1184 CA GLN A 85 21.017 -0.141 -5.483 1.00 0.00 C ATOM 1185 C GLN A 85 21.807 0.246 -4.237 1.00 0.00 C ATOM 1186 O GLN A 85 21.746 1.380 -3.761 1.00 0.00 O ATOM 1187 CB GLN A 85 21.134 0.962 -6.537 1.00 0.00 C ATOM 1188 CG GLN A 85 20.885 0.475 -7.956 1.00 0.00 C ATOM 1189 CD GLN A 85 20.895 1.602 -8.970 1.00 0.00 C ATOM 1190 OE1 GLN A 85 21.930 1.913 -9.561 1.00 0.00 O ATOM 1191 NE2 GLN A 85 19.739 2.223 -9.176 1.00 0.00 N ATOM 0 H GLN A 85 19.142 0.406 -4.720 1.00 0.00 H new ATOM 0 HA GLN A 85 21.435 -1.064 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.422 1.754 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 85 22.130 1.402 -6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 85 21.647 -0.257 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 85 19.924 -0.037 -7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.906 1.933 -8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.685 2.990 -9.846 1.00 0.00 H new ATOM 1200 N PRO A 86 22.566 -0.717 -3.694 1.00 0.00 N ATOM 1201 CA PRO A 86 22.646 -2.071 -4.252 1.00 0.00 C ATOM 1202 C PRO A 86 21.349 -2.852 -4.066 1.00 0.00 C ATOM 1203 O PRO A 86 20.404 -2.366 -3.445 1.00 0.00 O ATOM 1204 CB PRO A 86 23.779 -2.718 -3.452 1.00 0.00 C ATOM 1205 CG PRO A 86 23.809 -1.970 -2.164 1.00 0.00 C ATOM 1206 CD PRO A 86 23.405 -0.560 -2.494 1.00 0.00 C ATOM 0 HA PRO A 86 22.819 -2.059 -5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.592 -3.779 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.730 -2.639 -3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 86 23.125 -2.412 -1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.804 -1.997 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.853 -0.098 -1.675 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.272 0.071 -2.690 1.00 0.00 H new ATOM 1214 N VAL A 87 21.312 -4.065 -4.607 1.00 0.00 N ATOM 1215 CA VAL A 87 20.132 -4.914 -4.499 1.00 0.00 C ATOM 1216 C VAL A 87 20.178 -5.761 -3.232 1.00 0.00 C ATOM 1217 O VAL A 87 21.227 -5.901 -2.605 1.00 0.00 O ATOM 1218 CB VAL A 87 19.996 -5.844 -5.720 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.285 -5.129 -6.859 1.00 0.00 C ATOM 1220 CG2 VAL A 87 21.362 -6.344 -6.163 1.00 0.00 C ATOM 0 H VAL A 87 22.086 -4.482 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 87 19.268 -4.251 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 87 19.395 -6.707 -5.433 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.198 -5.801 -7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 87 18.290 -4.825 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.857 -4.247 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 87 21.247 -6.999 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 87 21.990 -5.495 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 87 21.829 -6.896 -5.348 1.00 0.00 H new ATOM 1230 N MET A 88 19.032 -6.323 -2.861 1.00 0.00 N ATOM 1231 CA MET A 88 18.942 -7.157 -1.668 1.00 0.00 C ATOM 1232 C MET A 88 18.966 -8.637 -2.037 1.00 0.00 C ATOM 1233 O MET A 88 17.928 -9.233 -2.327 1.00 0.00 O ATOM 1234 CB MET A 88 17.665 -6.835 -0.889 1.00 0.00 C ATOM 1235 CG MET A 88 17.786 -5.602 -0.008 1.00 0.00 C ATOM 1236 SD MET A 88 18.605 -5.946 1.560 1.00 0.00 S ATOM 1237 CE MET A 88 17.429 -5.248 2.717 1.00 0.00 C ATOM 0 H MET A 88 18.154 -6.216 -3.369 1.00 0.00 H new ATOM 0 HA MET A 88 19.806 -6.943 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.846 -6.689 -1.594 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.402 -7.691 -0.268 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.342 -4.832 -0.542 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.792 -5.200 0.187 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.900 -5.139 3.694 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.104 -4.271 2.360 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.566 -5.909 2.802 1.00 0.00 H new ATOM 1247 N LYS A 89 20.157 -9.226 -2.025 1.00 0.00 N ATOM 1248 CA LYS A 89 20.318 -10.636 -2.358 1.00 0.00 C ATOM 1249 C LYS A 89 19.273 -11.486 -1.641 1.00 0.00 C ATOM 1250 O LYS A 89 18.719 -12.422 -2.217 1.00 0.00 O ATOM 1251 CB LYS A 89 21.723 -11.113 -1.984 1.00 0.00 C ATOM 1252 CG LYS A 89 22.832 -10.343 -2.679 1.00 0.00 C ATOM 1253 CD LYS A 89 22.878 -10.653 -4.166 1.00 0.00 C ATOM 1254 CE LYS A 89 23.568 -9.544 -4.946 1.00 0.00 C ATOM 1255 NZ LYS A 89 25.000 -9.404 -4.562 1.00 0.00 N ATOM 0 H LYS A 89 21.026 -8.748 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 89 20.178 -10.748 -3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.852 -11.025 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 89 21.816 -12.170 -2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 89 22.680 -9.273 -2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 89 23.790 -10.593 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 89 23.405 -11.594 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 89 21.864 -10.787 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 89 23.497 -9.752 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 89 23.051 -8.601 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 25.443 -8.661 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 25.066 -9.147 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 25.492 -10.306 -4.722 1.00 0.00 H new ATOM 1269 N SER A 90 19.009 -11.153 -0.381 1.00 0.00 N ATOM 1270 CA SER A 90 18.032 -11.888 0.414 1.00 0.00 C ATOM 1271 C SER A 90 17.048 -10.933 1.084 1.00 0.00 C ATOM 1272 O SER A 90 17.174 -9.714 0.970 1.00 0.00 O ATOM 1273 CB SER A 90 18.740 -12.734 1.474 1.00 0.00 C ATOM 1274 OG SER A 90 19.618 -13.672 0.876 1.00 0.00 O ATOM 0 H SER A 90 19.458 -10.380 0.110 1.00 0.00 H new ATOM 0 HA SER A 90 17.476 -12.545 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.300 -12.085 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.000 -13.258 2.079 1.00 0.00 H new ATOM 0 HG SER A 90 20.059 -14.199 1.575 1.00 0.00 H new ATOM 1280 N VAL A 91 16.068 -11.497 1.782 1.00 0.00 N ATOM 1281 CA VAL A 91 15.063 -10.698 2.472 1.00 0.00 C ATOM 1282 C VAL A 91 15.277 -10.726 3.981 1.00 0.00 C ATOM 1283 O VAL A 91 15.412 -11.786 4.594 1.00 0.00 O ATOM 1284 CB VAL A 91 13.639 -11.194 2.157 1.00 0.00 C ATOM 1285 CG1 VAL A 91 12.640 -10.613 3.146 1.00 0.00 C ATOM 1286 CG2 VAL A 91 13.255 -10.840 0.728 1.00 0.00 C ATOM 0 H VAL A 91 15.949 -12.505 1.885 1.00 0.00 H new ATOM 0 HA VAL A 91 15.172 -9.675 2.113 1.00 0.00 H new ATOM 0 HB VAL A 91 13.621 -12.279 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.640 -10.975 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.906 -10.923 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.657 -9.525 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.246 -11.198 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.289 -9.758 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.954 -11.310 0.036 1.00 0.00 H new ATOM 1296 N PRO A 92 15.309 -9.535 4.596 1.00 0.00 N ATOM 1297 CA PRO A 92 15.506 -9.397 6.042 1.00 0.00 C ATOM 1298 C PRO A 92 14.303 -9.887 6.841 1.00 0.00 C ATOM 1299 O PRO A 92 13.167 -9.834 6.368 1.00 0.00 O ATOM 1300 CB PRO A 92 15.695 -7.889 6.232 1.00 0.00 C ATOM 1301 CG PRO A 92 14.992 -7.271 5.073 1.00 0.00 C ATOM 1302 CD PRO A 92 15.155 -8.232 3.928 1.00 0.00 C ATOM 0 HA PRO A 92 16.346 -9.994 6.397 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.270 -7.553 7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.751 -7.621 6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.938 -7.108 5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.421 -6.299 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.289 -8.219 3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 92 16.025 -7.987 3.319 1.00 0.00 H new ATOM 1310 N THR A 93 14.559 -10.364 8.055 1.00 0.00 N ATOM 1311 CA THR A 93 13.497 -10.865 8.919 1.00 0.00 C ATOM 1312 C THR A 93 12.662 -9.721 9.483 1.00 0.00 C ATOM 1313 O THR A 93 13.008 -9.133 10.507 1.00 0.00 O ATOM 1314 CB THR A 93 14.066 -11.694 10.086 1.00 0.00 C ATOM 1315 OG1 THR A 93 14.983 -10.901 10.849 1.00 0.00 O ATOM 1316 CG2 THR A 93 14.771 -12.939 9.571 1.00 0.00 C ATOM 0 H THR A 93 15.493 -10.414 8.462 1.00 0.00 H new ATOM 0 HA THR A 93 12.864 -11.505 8.304 1.00 0.00 H new ATOM 0 HB THR A 93 13.237 -12.002 10.723 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.585 -10.024 11.030 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.165 -13.509 10.413 1.00 0.00 H new ATOM 0 HG22 THR A 93 14.063 -13.554 9.016 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.591 -12.648 8.915 1.00 0.00 H new ATOM 1324 N ASN A 94 11.560 -9.410 8.808 1.00 0.00 N ATOM 1325 CA ASN A 94 10.675 -8.336 9.243 1.00 0.00 C ATOM 1326 C ASN A 94 11.477 -7.111 9.673 1.00 0.00 C ATOM 1327 O ASN A 94 11.183 -6.491 10.694 1.00 0.00 O ATOM 1328 CB ASN A 94 9.790 -8.811 10.397 1.00 0.00 C ATOM 1329 CG ASN A 94 8.569 -9.571 9.914 1.00 0.00 C ATOM 1330 OD1 ASN A 94 8.642 -10.767 9.629 1.00 0.00 O ATOM 1331 ND2 ASN A 94 7.440 -8.879 9.820 1.00 0.00 N ATOM 0 H ASN A 94 11.259 -9.887 7.958 1.00 0.00 H new ATOM 0 HA ASN A 94 10.042 -8.057 8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.374 -9.450 11.060 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.470 -7.950 10.984 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.586 -9.337 9.501 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.426 -7.889 10.067 1.00 0.00 H new ATOM 1338 N GLY A 95 12.491 -6.767 8.885 1.00 0.00 N ATOM 1339 CA GLY A 95 13.319 -5.618 9.200 1.00 0.00 C ATOM 1340 C GLY A 95 13.892 -4.959 7.962 1.00 0.00 C ATOM 1341 O GLY A 95 15.110 -4.898 7.790 1.00 0.00 O ATOM 0 H GLY A 95 12.754 -7.264 8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.728 -4.889 9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.135 -5.930 9.852 1.00 0.00 H new ATOM 1345 N TRP A 96 13.014 -4.466 7.096 1.00 0.00 N ATOM 1346 CA TRP A 96 13.440 -3.809 5.866 1.00 0.00 C ATOM 1347 C TRP A 96 13.161 -2.311 5.924 1.00 0.00 C ATOM 1348 O TRP A 96 12.220 -1.869 6.583 1.00 0.00 O ATOM 1349 CB TRP A 96 12.727 -4.427 4.661 1.00 0.00 C ATOM 1350 CG TRP A 96 13.315 -4.012 3.346 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.422 -4.536 2.741 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.829 -2.984 2.476 1.00 0.00 C ATOM 1353 NE1 TRP A 96 14.652 -3.897 1.547 1.00 0.00 N ATOM 1354 CE2 TRP A 96 13.688 -2.941 1.361 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.749 -2.098 2.529 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 13.501 -2.046 0.311 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.565 -1.211 1.486 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.436 -1.190 0.389 1.00 0.00 C ATOM 0 H TRP A 96 12.003 -4.509 7.223 1.00 0.00 H new ATOM 0 HA TRP A 96 14.515 -3.955 5.758 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.767 -5.513 4.742 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.675 -4.144 4.686 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.027 -5.335 3.142 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.416 -4.101 0.903 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.071 -2.107 3.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.172 -2.028 -0.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.735 -0.521 1.517 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.264 -0.485 -0.411 1.00 0.00 H new ATOM 1369 N LYS A 97 13.986 -1.534 5.230 1.00 0.00 N ATOM 1370 CA LYS A 97 13.828 -0.084 5.200 1.00 0.00 C ATOM 1371 C LYS A 97 14.359 0.495 3.893 1.00 0.00 C ATOM 1372 O LYS A 97 15.530 0.319 3.555 1.00 0.00 O ATOM 1373 CB LYS A 97 14.557 0.553 6.386 1.00 0.00 C ATOM 1374 CG LYS A 97 13.899 1.825 6.892 1.00 0.00 C ATOM 1375 CD LYS A 97 14.866 2.665 7.710 1.00 0.00 C ATOM 1376 CE LYS A 97 15.066 2.086 9.102 1.00 0.00 C ATOM 1377 NZ LYS A 97 15.553 3.113 10.065 1.00 0.00 N ATOM 0 H LYS A 97 14.771 -1.884 4.681 1.00 0.00 H new ATOM 0 HA LYS A 97 12.764 0.142 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.608 -0.169 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.583 0.776 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.534 2.408 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.032 1.570 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.826 2.721 7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.487 3.684 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.125 1.669 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.781 1.265 9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.677 2.679 11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.464 3.493 9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.859 3.885 10.130 1.00 0.00 H new ATOM 1391 N CYS A 98 13.491 1.186 3.162 1.00 0.00 N ATOM 1392 CA CYS A 98 13.872 1.792 1.892 1.00 0.00 C ATOM 1393 C CYS A 98 14.838 2.953 2.111 1.00 0.00 C ATOM 1394 O CYS A 98 15.080 3.369 3.245 1.00 0.00 O ATOM 1395 CB CYS A 98 12.631 2.282 1.144 1.00 0.00 C ATOM 1396 SG CYS A 98 12.078 3.948 1.631 1.00 0.00 S ATOM 0 H CYS A 98 12.518 1.340 3.428 1.00 0.00 H new ATOM 0 HA CYS A 98 14.374 1.033 1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 98 12.840 2.279 0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.817 1.577 1.312 1.00 0.00 H new ATOM 0 HG CYS A 98 10.792 3.940 1.819 1.00 0.00 H new ATOM 1401 N LYS A 99 15.388 3.472 1.019 1.00 0.00 N ATOM 1402 CA LYS A 99 16.326 4.586 1.090 1.00 0.00 C ATOM 1403 C LYS A 99 15.608 5.881 1.455 1.00 0.00 C ATOM 1404 O LYS A 99 15.946 6.532 2.443 1.00 0.00 O ATOM 1405 CB LYS A 99 17.053 4.754 -0.247 1.00 0.00 C ATOM 1406 CG LYS A 99 17.958 5.972 -0.299 1.00 0.00 C ATOM 1407 CD LYS A 99 17.247 7.171 -0.903 1.00 0.00 C ATOM 1408 CE LYS A 99 17.390 7.198 -2.417 1.00 0.00 C ATOM 1409 NZ LYS A 99 16.300 6.439 -3.091 1.00 0.00 N ATOM 0 H LYS A 99 15.200 3.139 0.073 1.00 0.00 H new ATOM 0 HA LYS A 99 17.055 4.364 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.648 3.862 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.315 4.826 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.296 6.218 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.847 5.741 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.190 7.141 -0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.656 8.089 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.381 8.231 -2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.355 6.775 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.178 6.794 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.547 5.429 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.413 6.563 -2.563 1.00 0.00 H new ATOM 1423 N ASN A 100 14.613 6.247 0.653 1.00 0.00 N ATOM 1424 CA ASN A 100 13.846 7.464 0.894 1.00 0.00 C ATOM 1425 C ASN A 100 13.546 7.633 2.380 1.00 0.00 C ATOM 1426 O ASN A 100 13.335 8.748 2.859 1.00 0.00 O ATOM 1427 CB ASN A 100 12.539 7.433 0.098 1.00 0.00 C ATOM 1428 CG ASN A 100 11.489 8.362 0.676 1.00 0.00 C ATOM 1429 OD1 ASN A 100 10.432 7.919 1.126 1.00 0.00 O ATOM 1430 ND2 ASN A 100 11.776 9.659 0.666 1.00 0.00 N ATOM 0 H ASN A 100 14.319 5.719 -0.169 1.00 0.00 H new ATOM 0 HA ASN A 100 14.445 8.313 0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.740 7.714 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.150 6.415 0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.108 10.332 1.041 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.665 9.982 0.283 1.00 0.00 H new ATOM 1437 N CYS A 101 13.528 6.520 3.105 1.00 0.00 N ATOM 1438 CA CYS A 101 13.254 6.543 4.536 1.00 0.00 C ATOM 1439 C CYS A 101 14.553 6.549 5.339 1.00 0.00 C ATOM 1440 O CYS A 101 14.660 7.229 6.360 1.00 0.00 O ATOM 1441 CB CYS A 101 12.403 5.335 4.934 1.00 0.00 C ATOM 1442 SG CYS A 101 10.627 5.529 4.578 1.00 0.00 S ATOM 0 H CYS A 101 13.700 5.590 2.724 1.00 0.00 H new ATOM 0 HA CYS A 101 12.704 7.457 4.760 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.774 4.454 4.410 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.531 5.149 6.000 1.00 0.00 H new ATOM 0 HG CYS A 101 10.086 4.358 4.420 1.00 0.00 H new ATOM 1447 N ARG A 102 15.536 5.789 4.869 1.00 0.00 N ATOM 1448 CA ARG A 102 16.826 5.706 5.542 1.00 0.00 C ATOM 1449 C ARG A 102 17.366 7.099 5.855 1.00 0.00 C ATOM 1450 O ARG A 102 18.089 7.289 6.834 1.00 0.00 O ATOM 1451 CB ARG A 102 17.829 4.941 4.677 1.00 0.00 C ATOM 1452 CG ARG A 102 18.562 5.818 3.674 1.00 0.00 C ATOM 1453 CD ARG A 102 19.936 5.258 3.344 1.00 0.00 C ATOM 1454 NE ARG A 102 20.423 5.730 2.051 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.458 5.193 1.414 1.00 0.00 C ATOM 1456 NH1 ARG A 102 22.110 4.169 1.948 1.00 0.00 N ATOM 1457 NH2 ARG A 102 21.842 5.678 0.240 1.00 0.00 N ATOM 0 H ARG A 102 15.464 5.222 4.024 1.00 0.00 H new ATOM 0 HA ARG A 102 16.684 5.170 6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.559 4.456 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.304 4.150 4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 102 17.972 5.899 2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 102 18.666 6.825 4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.641 5.545 4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.892 4.169 3.339 1.00 0.00 H new ATOM 0 HE ARG A 102 19.942 6.515 1.612 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.817 3.792 2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.904 3.758 1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 102 21.342 6.464 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 102 22.637 5.264 -0.247 1.00 0.00 H new ATOM 1471 N ILE A 103 17.011 8.067 5.018 1.00 0.00 N ATOM 1472 CA ILE A 103 17.460 9.441 5.206 1.00 0.00 C ATOM 1473 C ILE A 103 17.304 9.877 6.659 1.00 0.00 C ATOM 1474 O ILE A 103 16.261 9.655 7.276 1.00 0.00 O ATOM 1475 CB ILE A 103 16.680 10.416 4.304 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.106 10.245 2.844 1.00 0.00 C ATOM 1477 CG2 ILE A 103 16.900 11.851 4.760 1.00 0.00 C ATOM 1478 CD1 ILE A 103 16.319 9.186 2.105 1.00 0.00 C ATOM 0 H ILE A 103 16.414 7.926 4.203 1.00 0.00 H new ATOM 0 HA ILE A 103 18.515 9.468 4.932 1.00 0.00 H new ATOM 0 HB ILE A 103 15.617 10.189 4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.992 11.198 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 103 18.165 9.989 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 103 16.342 12.528 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 103 16.554 11.963 5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 103 17.962 12.091 4.707 1.00 0.00 H new ATOM 0 HD11 ILE A 103 16.675 9.120 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 103 16.453 8.223 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.262 9.451 2.107 1.00 0.00 H new