USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=37 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 143:sc= 1.36 USER MOD Set 1.2: A 75 CYS SG : rot -60:sc= -1.23 USER MOD Set 1.3: A 98 CYS SG : rot -135:sc= 0.861 USER MOD Set 1.4: A 101 CYS SG : rot 151:sc= -1.56 USER MOD Set 2.1: A 57 CYS SG : rot 173:sc= 0.796 USER MOD Set 2.2: A 59 ASN : amide:sc= -0.437 X(o=-5.5,f=-5.8!) USER MOD Set 2.3: A 60 CYS SG : rot -61:sc= -1.09 USER MOD Set 2.4: A 80 HIS :FLIP no HD1:sc= -4.97! C(o=-7.9!,f=-5.5!) USER MOD Set 2.5: A 83 CYS SG : rot 52:sc= 0.168 USER MOD Set 3.1: A 25 CYS SG : rot 146:sc= 1.17 USER MOD Set 3.2: A 28 CYS SG : rot -61:sc= -0.123 USER MOD Set 3.3: A 51 CYS SG : rot -140:sc= -0.131 USER MOD Set 3.4: A 54 CYS SG : rot 122:sc= -2.73 USER MOD Set 4.1: A 10 CYS SG : rot -165:sc= -0.132 USER MOD Set 4.2: A 13 CYS SG : rot -113:sc= -2.78 USER MOD Set 4.3: A 22 GLN : amide:sc= -5.7! C(o=-12!,f=-15!) USER MOD Set 4.4: A 33 HIS : no HD1:sc= -2.66 K(o=-12,f=-13!) USER MOD Set 4.5: A 36 CYS SG : rot 122:sc= -1.1 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.8) 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= -3.95! C(o=-4!,f=-4.8!) USER MOD Single : A 31 HIS : no HE2:sc= -2.98 K(o=-3,f=-3.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -148:sc= -0.517 (180deg=-1.88!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= -1.74! (180deg=-1.8!) USER MOD Single : A 50 GLN : amide:sc=-0.00109 X(o=-0.0011,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= -0.321 (180deg=-0.334) USER MOD Single : A 58 GLN : amide:sc= -0.474 K(o=-0.47,f=-1.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) 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 69 MET CE :methyl -136:sc= -1.68 (180deg=-5.57!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00318) USER MOD Single : A 79 TYR OH : rot 15:sc= -0.621 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.428 K(o=-0.43,f=-1.8) USER MOD Single : A 88 MET CE :methyl -172:sc= -3.1 (180deg=-3.52) 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= -0.207 K(o=-0.21,f=-1!) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -0.0198 (180deg=-0.221) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc=-0.00446 (180deg=-0.109) USER MOD Single : A 100 ASN :FLIP amide:sc= -0.328 F(o=-1.2,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -17.248 3.808 -0.191 1.00 0.00 N ATOM 67 CA ALA A 8 -16.201 4.474 0.573 1.00 0.00 C ATOM 68 C ALA A 8 -15.917 3.734 1.876 1.00 0.00 C ATOM 69 O ALA A 8 -15.475 4.332 2.856 1.00 0.00 O ATOM 70 CB ALA A 8 -16.592 5.917 0.857 1.00 0.00 C ATOM 0 HA ALA A 8 -15.289 4.467 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.801 6.403 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.737 6.447 -0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.518 5.937 1.431 1.00 0.00 H new ATOM 76 N ASN A 9 -16.176 2.430 1.879 1.00 0.00 N ATOM 77 CA ASN A 9 -15.949 1.609 3.063 1.00 0.00 C ATOM 78 C ASN A 9 -14.694 0.757 2.901 1.00 0.00 C ATOM 79 O ASN A 9 -14.044 0.781 1.856 1.00 0.00 O ATOM 80 CB ASN A 9 -17.159 0.710 3.325 1.00 0.00 C ATOM 81 CG ASN A 9 -18.305 1.459 3.978 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.411 2.680 3.859 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.168 0.729 4.675 1.00 0.00 N ATOM 0 H ASN A 9 -16.543 1.920 1.076 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.808 2.274 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.499 0.280 2.383 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.860 -0.120 3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.958 1.178 5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.041 -0.281 4.747 1.00 0.00 H new ATOM 90 N CYS A 10 -14.358 0.004 3.944 1.00 0.00 N ATOM 91 CA CYS A 10 -13.182 -0.856 3.919 1.00 0.00 C ATOM 92 C CYS A 10 -13.365 -2.000 2.926 1.00 0.00 C ATOM 93 O CYS A 10 -14.447 -2.577 2.820 1.00 0.00 O ATOM 94 CB CYS A 10 -12.906 -1.418 5.315 1.00 0.00 C ATOM 95 SG CYS A 10 -11.226 -2.089 5.528 1.00 0.00 S ATOM 0 H CYS A 10 -14.885 -0.027 4.817 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.330 -0.255 3.601 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.067 -0.630 6.051 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.630 -2.205 5.528 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.184 -2.822 6.601 1.00 0.00 H new ATOM 100 N ALA A 11 -12.300 -2.323 2.200 1.00 0.00 N ATOM 101 CA ALA A 11 -12.342 -3.398 1.217 1.00 0.00 C ATOM 102 C ALA A 11 -11.901 -4.722 1.833 1.00 0.00 C ATOM 103 O ALA A 11 -11.760 -5.726 1.135 1.00 0.00 O ATOM 104 CB ALA A 11 -11.468 -3.054 0.020 1.00 0.00 C ATOM 0 H ALA A 11 -11.397 -1.855 2.274 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.373 -3.509 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.509 -3.866 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.829 -2.135 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.439 -2.914 0.350 1.00 0.00 H new ATOM 110 N VAL A 12 -11.682 -4.716 3.144 1.00 0.00 N ATOM 111 CA VAL A 12 -11.257 -5.916 3.854 1.00 0.00 C ATOM 112 C VAL A 12 -12.315 -6.366 4.856 1.00 0.00 C ATOM 113 O VAL A 12 -12.601 -7.557 4.981 1.00 0.00 O ATOM 114 CB VAL A 12 -9.927 -5.688 4.596 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.553 -6.917 5.412 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.822 -5.335 3.612 1.00 0.00 C ATOM 0 H VAL A 12 -11.792 -3.893 3.736 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.117 -6.694 3.104 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.053 -4.850 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.611 -6.737 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.335 -7.120 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.445 -7.775 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.889 -5.177 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.695 -6.150 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.089 -4.424 3.076 1.00 0.00 H new ATOM 126 N CYS A 13 -12.894 -5.405 5.568 1.00 0.00 N ATOM 127 CA CYS A 13 -13.921 -5.700 6.560 1.00 0.00 C ATOM 128 C CYS A 13 -15.287 -5.208 6.091 1.00 0.00 C ATOM 129 O CYS A 13 -16.322 -5.727 6.509 1.00 0.00 O ATOM 130 CB CYS A 13 -13.565 -5.055 7.900 1.00 0.00 C ATOM 131 SG CYS A 13 -13.727 -3.240 7.918 1.00 0.00 S ATOM 0 H CYS A 13 -12.669 -4.414 5.476 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.969 -6.781 6.687 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -14.207 -5.474 8.675 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.540 -5.320 8.158 1.00 0.00 H new ATOM 0 HG CYS A 13 -12.551 -2.701 8.050 1.00 0.00 H new ATOM 136 N ASP A 14 -15.281 -4.203 5.222 1.00 0.00 N ATOM 137 CA ASP A 14 -16.519 -3.640 4.696 1.00 0.00 C ATOM 138 C ASP A 14 -17.291 -2.908 5.789 1.00 0.00 C ATOM 139 O ASP A 14 -18.488 -3.131 5.973 1.00 0.00 O ATOM 140 CB ASP A 14 -17.389 -4.743 4.091 1.00 0.00 C ATOM 141 CG ASP A 14 -16.633 -5.593 3.089 1.00 0.00 C ATOM 142 OD1 ASP A 14 -15.778 -5.040 2.365 1.00 0.00 O ATOM 143 OD2 ASP A 14 -16.894 -6.813 3.029 1.00 0.00 O ATOM 0 H ASP A 14 -14.433 -3.762 4.867 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.261 -2.923 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.770 -5.380 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.253 -4.293 3.602 1.00 0.00 H new ATOM 148 N SER A 15 -16.598 -2.034 6.512 1.00 0.00 N ATOM 149 CA SER A 15 -17.218 -1.273 7.590 1.00 0.00 C ATOM 150 C SER A 15 -16.714 0.167 7.597 1.00 0.00 C ATOM 151 O SER A 15 -15.558 0.449 7.279 1.00 0.00 O ATOM 152 CB SER A 15 -16.930 -1.933 8.940 1.00 0.00 C ATOM 153 OG SER A 15 -17.662 -3.137 9.086 1.00 0.00 O ATOM 0 H SER A 15 -15.608 -1.836 6.371 1.00 0.00 H new ATOM 0 HA SER A 15 -18.295 -1.262 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.863 -2.140 9.027 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.189 -1.247 9.746 1.00 0.00 H new ATOM 0 HG SER A 15 -17.459 -3.540 9.956 1.00 0.00 H new ATOM 159 N PRO A 16 -17.601 1.102 7.969 1.00 0.00 N ATOM 160 CA PRO A 16 -17.270 2.529 8.028 1.00 0.00 C ATOM 161 C PRO A 16 -16.305 2.854 9.162 1.00 0.00 C ATOM 162 O PRO A 16 -15.282 3.506 8.953 1.00 0.00 O ATOM 163 CB PRO A 16 -18.625 3.198 8.271 1.00 0.00 C ATOM 164 CG PRO A 16 -19.450 2.151 8.936 1.00 0.00 C ATOM 165 CD PRO A 16 -18.995 0.838 8.362 1.00 0.00 C ATOM 0 HA PRO A 16 -16.768 2.868 7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.523 4.081 8.901 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.079 3.525 7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.311 2.173 10.017 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.511 2.312 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.060 0.035 9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.604 0.540 7.508 1.00 0.00 H new ATOM 173 N GLY A 17 -16.636 2.394 10.365 1.00 0.00 N ATOM 174 CA GLY A 17 -15.787 2.646 11.515 1.00 0.00 C ATOM 175 C GLY A 17 -15.163 4.028 11.484 1.00 0.00 C ATOM 176 O GLY A 17 -15.861 5.034 11.603 1.00 0.00 O ATOM 0 H GLY A 17 -17.477 1.852 10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.374 2.536 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.998 1.895 11.551 1.00 0.00 H new ATOM 180 N ASP A 18 -13.845 4.076 11.325 1.00 0.00 N ATOM 181 CA ASP A 18 -13.127 5.344 11.279 1.00 0.00 C ATOM 182 C ASP A 18 -12.630 5.636 9.866 1.00 0.00 C ATOM 183 O ASP A 18 -12.092 4.757 9.191 1.00 0.00 O ATOM 184 CB ASP A 18 -11.948 5.323 12.253 1.00 0.00 C ATOM 185 CG ASP A 18 -12.382 5.526 13.691 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.151 4.686 14.204 1.00 0.00 O ATOM 187 OD2 ASP A 18 -11.952 6.525 14.304 1.00 0.00 O ATOM 0 H ASP A 18 -13.252 3.252 11.226 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.817 6.135 11.573 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.425 4.371 12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.238 6.103 11.977 1.00 0.00 H new ATOM 192 N LEU A 19 -12.814 6.876 9.425 1.00 0.00 N ATOM 193 CA LEU A 19 -12.385 7.284 8.091 1.00 0.00 C ATOM 194 C LEU A 19 -10.924 7.724 8.100 1.00 0.00 C ATOM 195 O LEU A 19 -10.147 7.348 7.221 1.00 0.00 O ATOM 196 CB LEU A 19 -13.269 8.422 7.576 1.00 0.00 C ATOM 197 CG LEU A 19 -14.622 8.010 6.996 1.00 0.00 C ATOM 198 CD1 LEU A 19 -14.433 7.081 5.807 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.480 7.346 8.063 1.00 0.00 C ATOM 0 H LEU A 19 -13.257 7.615 9.971 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.483 6.426 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.444 9.119 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.717 8.965 6.809 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.136 8.907 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.407 6.798 5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.858 7.591 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.898 6.186 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.439 7.059 7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.971 6.458 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.645 8.044 8.884 1.00 0.00 H new ATOM 211 N LEU A 20 -10.557 8.519 9.098 1.00 0.00 N ATOM 212 CA LEU A 20 -9.188 9.008 9.223 1.00 0.00 C ATOM 213 C LEU A 20 -8.231 7.868 9.556 1.00 0.00 C ATOM 214 O LEU A 20 -7.225 7.671 8.874 1.00 0.00 O ATOM 215 CB LEU A 20 -9.108 10.088 10.304 1.00 0.00 C ATOM 216 CG LEU A 20 -7.810 10.136 11.109 1.00 0.00 C ATOM 217 CD1 LEU A 20 -6.607 10.186 10.180 1.00 0.00 C ATOM 218 CD2 LEU A 20 -7.809 11.333 12.049 1.00 0.00 C ATOM 0 H LEU A 20 -11.188 8.839 9.833 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.893 9.438 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.255 11.059 9.831 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.937 9.942 10.997 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.743 9.228 11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.692 10.220 10.771 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.598 9.298 9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.668 11.076 9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.877 11.351 12.614 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.899 12.251 11.469 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.650 11.255 12.738 1.00 0.00 H new ATOM 230 N ASP A 21 -8.552 7.120 10.605 1.00 0.00 N ATOM 231 CA ASP A 21 -7.723 5.997 11.026 1.00 0.00 C ATOM 232 C ASP A 21 -7.308 5.148 9.828 1.00 0.00 C ATOM 233 O ASP A 21 -6.161 4.712 9.733 1.00 0.00 O ATOM 234 CB ASP A 21 -8.472 5.134 12.043 1.00 0.00 C ATOM 235 CG ASP A 21 -7.540 4.263 12.861 1.00 0.00 C ATOM 236 OD1 ASP A 21 -7.115 3.205 12.351 1.00 0.00 O ATOM 237 OD2 ASP A 21 -7.235 4.639 14.012 1.00 0.00 O ATOM 0 H ASP A 21 -9.381 7.271 11.180 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.824 6.398 11.494 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.043 5.778 12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.190 4.502 11.520 1.00 0.00 H new ATOM 242 N GLN A 22 -8.248 4.919 8.917 1.00 0.00 N ATOM 243 CA GLN A 22 -7.980 4.122 7.727 1.00 0.00 C ATOM 244 C GLN A 22 -7.351 4.975 6.630 1.00 0.00 C ATOM 245 O GLN A 22 -7.699 6.144 6.462 1.00 0.00 O ATOM 246 CB GLN A 22 -9.271 3.482 7.214 1.00 0.00 C ATOM 247 CG GLN A 22 -10.355 4.491 6.869 1.00 0.00 C ATOM 248 CD GLN A 22 -11.677 3.834 6.528 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.932 2.690 6.909 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.528 4.554 5.807 1.00 0.00 N ATOM 0 H GLN A 22 -9.202 5.274 8.981 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.276 3.336 7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.045 2.887 6.329 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.652 2.796 7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.497 5.168 7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.026 5.097 6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.276 5.498 5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.434 4.164 5.547 1.00 0.00 H new ATOM 259 N PHE A 23 -6.422 4.383 5.887 1.00 0.00 N ATOM 260 CA PHE A 23 -5.743 5.089 4.807 1.00 0.00 C ATOM 261 C PHE A 23 -6.651 5.220 3.587 1.00 0.00 C ATOM 262 O PHE A 23 -7.718 4.609 3.524 1.00 0.00 O ATOM 263 CB PHE A 23 -4.455 4.358 4.421 1.00 0.00 C ATOM 264 CG PHE A 23 -3.482 4.220 5.557 1.00 0.00 C ATOM 265 CD1 PHE A 23 -3.669 3.256 6.534 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.379 5.054 5.647 1.00 0.00 C ATOM 267 CE1 PHE A 23 -2.775 3.127 7.580 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.482 4.930 6.691 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.680 3.964 7.658 1.00 0.00 C ATOM 0 H PHE A 23 -6.122 3.416 6.013 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.493 6.089 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.708 3.366 4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.973 4.894 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.523 2.598 6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.218 5.810 4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.933 2.372 8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.627 5.588 6.751 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.979 3.864 8.474 1.00 0.00 H new ATOM 279 N PHE A 24 -6.220 6.023 2.620 1.00 0.00 N ATOM 280 CA PHE A 24 -6.994 6.237 1.402 1.00 0.00 C ATOM 281 C PHE A 24 -6.093 6.195 0.171 1.00 0.00 C ATOM 282 O PHE A 24 -5.112 6.934 0.080 1.00 0.00 O ATOM 283 CB PHE A 24 -7.726 7.579 1.467 1.00 0.00 C ATOM 284 CG PHE A 24 -8.245 8.043 0.136 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.477 7.613 -0.330 1.00 0.00 C ATOM 286 CD2 PHE A 24 -7.501 8.910 -0.649 1.00 0.00 C ATOM 287 CE1 PHE A 24 -9.958 8.039 -1.554 1.00 0.00 C ATOM 288 CE2 PHE A 24 -7.978 9.339 -1.873 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.207 8.902 -2.327 1.00 0.00 C ATOM 0 H PHE A 24 -5.339 6.536 2.656 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.727 5.435 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.560 7.496 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.049 8.334 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.068 6.937 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.538 9.254 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.920 7.697 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.390 10.016 -2.475 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.580 9.235 -3.285 1.00 0.00 H new ATOM 299 N CYS A 25 -6.433 5.324 -0.773 1.00 0.00 N ATOM 300 CA CYS A 25 -5.657 5.183 -1.999 1.00 0.00 C ATOM 301 C CYS A 25 -5.950 6.329 -2.964 1.00 0.00 C ATOM 302 O CYS A 25 -7.016 6.943 -2.912 1.00 0.00 O ATOM 303 CB CYS A 25 -5.966 3.844 -2.672 1.00 0.00 C ATOM 304 SG CYS A 25 -4.819 3.407 -4.019 1.00 0.00 S ATOM 0 H CYS A 25 -7.241 4.705 -0.712 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.600 5.215 -1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.942 3.057 -1.919 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.981 3.874 -3.069 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.654 2.118 -4.048 1.00 0.00 H new ATOM 309 N THR A 26 -4.995 6.612 -3.844 1.00 0.00 N ATOM 310 CA THR A 26 -5.149 7.684 -4.820 1.00 0.00 C ATOM 311 C THR A 26 -5.514 7.130 -6.192 1.00 0.00 C ATOM 312 O THR A 26 -6.231 7.771 -6.962 1.00 0.00 O ATOM 313 CB THR A 26 -3.862 8.521 -4.943 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.778 7.692 -5.379 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.508 9.168 -3.613 1.00 0.00 C ATOM 0 H THR A 26 -4.107 6.114 -3.901 1.00 0.00 H new ATOM 0 HA THR A 26 -5.956 8.323 -4.463 1.00 0.00 H new ATOM 0 HB THR A 26 -4.036 9.308 -5.677 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.964 8.232 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.596 9.754 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.322 9.821 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.352 8.394 -2.862 1.00 0.00 H new ATOM 323 N THR A 27 -5.018 5.934 -6.494 1.00 0.00 N ATOM 324 CA THR A 27 -5.292 5.294 -7.774 1.00 0.00 C ATOM 325 C THR A 27 -6.735 4.809 -7.849 1.00 0.00 C ATOM 326 O THR A 27 -7.530 5.313 -8.644 1.00 0.00 O ATOM 327 CB THR A 27 -4.349 4.101 -8.019 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.999 4.561 -8.143 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.749 3.343 -9.276 1.00 0.00 C ATOM 0 H THR A 27 -4.424 5.389 -5.869 1.00 0.00 H new ATOM 0 HA THR A 27 -5.123 6.046 -8.545 1.00 0.00 H new ATOM 0 HB THR A 27 -4.426 3.426 -7.167 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.406 3.796 -8.297 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.068 2.505 -9.428 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.767 2.968 -9.167 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.699 4.012 -10.135 1.00 0.00 H new ATOM 337 N CYS A 28 -7.070 3.829 -7.016 1.00 0.00 N ATOM 338 CA CYS A 28 -8.418 3.276 -6.987 1.00 0.00 C ATOM 339 C CYS A 28 -9.338 4.130 -6.118 1.00 0.00 C ATOM 340 O CYS A 28 -10.488 4.383 -6.475 1.00 0.00 O ATOM 341 CB CYS A 28 -8.392 1.839 -6.463 1.00 0.00 C ATOM 342 SG CYS A 28 -7.981 1.702 -4.693 1.00 0.00 S ATOM 0 H CYS A 28 -6.425 3.401 -6.351 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.806 3.277 -8.006 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.367 1.383 -6.635 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.666 1.266 -7.039 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.797 2.197 -4.483 1.00 0.00 H new ATOM 347 N GLY A 29 -8.821 4.571 -4.976 1.00 0.00 N ATOM 348 CA GLY A 29 -9.608 5.392 -4.074 1.00 0.00 C ATOM 349 C GLY A 29 -10.402 4.565 -3.082 1.00 0.00 C ATOM 350 O GLY A 29 -11.569 4.854 -2.818 1.00 0.00 O ATOM 0 H GLY A 29 -7.872 4.375 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.946 6.068 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.291 6.012 -4.654 1.00 0.00 H new ATOM 354 N GLN A 30 -9.769 3.534 -2.533 1.00 0.00 N ATOM 355 CA GLN A 30 -10.425 2.661 -1.566 1.00 0.00 C ATOM 356 C GLN A 30 -10.021 3.025 -0.141 1.00 0.00 C ATOM 357 O GLN A 30 -9.209 3.926 0.074 1.00 0.00 O ATOM 358 CB GLN A 30 -10.078 1.199 -1.849 1.00 0.00 C ATOM 359 CG GLN A 30 -11.025 0.528 -2.831 1.00 0.00 C ATOM 360 CD GLN A 30 -12.176 -0.179 -2.143 1.00 0.00 C ATOM 361 OE1 GLN A 30 -12.276 -1.406 -2.178 1.00 0.00 O ATOM 362 NE2 GLN A 30 -13.052 0.592 -1.510 1.00 0.00 N ATOM 0 H GLN A 30 -8.803 3.282 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.502 2.797 -1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.063 1.145 -2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.087 0.644 -0.911 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.422 1.277 -3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.469 -0.192 -3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.931 1.605 -1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.846 0.172 -1.027 1.00 0.00 H new ATOM 371 N HIS A 31 -10.593 2.321 0.829 1.00 0.00 N ATOM 372 CA HIS A 31 -10.292 2.570 2.235 1.00 0.00 C ATOM 373 C HIS A 31 -9.800 1.298 2.919 1.00 0.00 C ATOM 374 O HIS A 31 -10.205 0.192 2.560 1.00 0.00 O ATOM 375 CB HIS A 31 -11.530 3.104 2.956 1.00 0.00 C ATOM 376 CG HIS A 31 -12.215 4.218 2.226 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.216 5.523 2.672 1.00 0.00 N ATOM 378 CD2 HIS A 31 -12.922 4.217 1.071 1.00 0.00 C ATOM 379 CE1 HIS A 31 -12.895 6.275 1.826 1.00 0.00 C ATOM 380 NE2 HIS A 31 -13.334 5.507 0.845 1.00 0.00 N ATOM 0 H HIS A 31 -11.268 1.573 0.668 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.500 3.318 2.285 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.237 2.287 3.101 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.240 3.454 3.947 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -11.763 5.855 3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.124 3.361 0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.063 7.338 1.920 1.00 0.00 H new ATOM 389 N TYR A 32 -8.925 1.463 3.904 1.00 0.00 N ATOM 390 CA TYR A 32 -8.375 0.328 4.636 1.00 0.00 C ATOM 391 C TYR A 32 -7.887 0.755 6.017 1.00 0.00 C ATOM 392 O TYR A 32 -7.039 1.638 6.143 1.00 0.00 O ATOM 393 CB TYR A 32 -7.225 -0.304 3.850 1.00 0.00 C ATOM 394 CG TYR A 32 -7.624 -0.781 2.472 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.635 0.089 1.389 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.988 -2.104 2.252 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.999 -0.343 0.129 1.00 0.00 C ATOM 398 CE2 TYR A 32 -8.353 -2.545 0.995 1.00 0.00 C ATOM 399 CZ TYR A 32 -8.357 -1.661 -0.064 1.00 0.00 C ATOM 400 OH TYR A 32 -8.720 -2.095 -1.318 1.00 0.00 O ATOM 0 H TYR A 32 -8.581 2.372 4.214 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.168 -0.409 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.419 0.423 3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.829 -1.147 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.354 1.121 1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.985 -2.799 3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.003 0.348 -0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.634 -3.577 0.842 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.942 -3.049 -1.282 1.00 0.00 H new ATOM 410 N HIS A 33 -8.430 0.120 7.051 1.00 0.00 N ATOM 411 CA HIS A 33 -8.050 0.432 8.424 1.00 0.00 C ATOM 412 C HIS A 33 -6.615 -0.004 8.704 1.00 0.00 C ATOM 413 O HIS A 33 -6.011 -0.728 7.914 1.00 0.00 O ATOM 414 CB HIS A 33 -9.003 -0.250 9.407 1.00 0.00 C ATOM 415 CG HIS A 33 -10.439 0.127 9.208 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.407 -0.776 8.820 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.070 1.316 9.346 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.571 -0.157 8.728 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.393 1.114 9.042 1.00 0.00 N ATOM 0 H HIS A 33 -9.134 -0.613 6.964 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.115 1.512 8.556 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.902 -1.331 9.307 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.706 0.005 10.424 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.617 2.251 9.641 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.508 -0.613 8.444 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.121 1.829 9.056 1.00 0.00 H new ATOM 427 N GLY A 34 -6.076 0.442 9.834 1.00 0.00 N ATOM 428 CA GLY A 34 -4.716 0.089 10.197 1.00 0.00 C ATOM 429 C GLY A 34 -4.608 -1.323 10.738 1.00 0.00 C ATOM 430 O GLY A 34 -3.553 -1.951 10.649 1.00 0.00 O ATOM 0 H GLY A 34 -6.557 1.042 10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.072 0.190 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.349 0.791 10.946 1.00 0.00 H new ATOM 434 N MET A 35 -5.702 -1.824 11.302 1.00 0.00 N ATOM 435 CA MET A 35 -5.726 -3.171 11.861 1.00 0.00 C ATOM 436 C MET A 35 -6.107 -4.194 10.796 1.00 0.00 C ATOM 437 O MET A 35 -5.610 -5.320 10.796 1.00 0.00 O ATOM 438 CB MET A 35 -6.710 -3.244 13.030 1.00 0.00 C ATOM 439 CG MET A 35 -8.152 -2.980 12.629 1.00 0.00 C ATOM 440 SD MET A 35 -9.334 -3.580 13.851 1.00 0.00 S ATOM 441 CE MET A 35 -8.831 -5.293 13.995 1.00 0.00 C ATOM 0 H MET A 35 -6.584 -1.318 11.384 1.00 0.00 H new ATOM 0 HA MET A 35 -4.725 -3.405 12.223 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.644 -4.231 13.488 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.414 -2.520 13.789 1.00 0.00 H new ATOM 0 HG2 MET A 35 -8.295 -1.909 12.486 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.352 -3.459 11.670 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.702 -5.911 14.213 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.379 -5.620 13.058 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.105 -5.392 14.802 1.00 0.00 H new ATOM 451 N CYS A 36 -6.993 -3.795 9.889 1.00 0.00 N ATOM 452 CA CYS A 36 -7.442 -4.678 8.818 1.00 0.00 C ATOM 453 C CYS A 36 -6.272 -5.102 7.936 1.00 0.00 C ATOM 454 O CYS A 36 -6.239 -6.222 7.425 1.00 0.00 O ATOM 455 CB CYS A 36 -8.509 -3.982 7.970 1.00 0.00 C ATOM 456 SG CYS A 36 -10.213 -4.237 8.562 1.00 0.00 S ATOM 0 H CYS A 36 -7.414 -2.866 9.874 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.873 -5.570 9.272 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.300 -2.913 7.948 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.434 -4.342 6.944 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.761 -3.086 8.815 1.00 0.00 H new ATOM 461 N LEU A 37 -5.312 -4.200 7.762 1.00 0.00 N ATOM 462 CA LEU A 37 -4.138 -4.480 6.942 1.00 0.00 C ATOM 463 C LEU A 37 -2.884 -4.586 7.805 1.00 0.00 C ATOM 464 O LEU A 37 -1.795 -4.862 7.302 1.00 0.00 O ATOM 465 CB LEU A 37 -3.955 -3.385 5.889 1.00 0.00 C ATOM 466 CG LEU A 37 -4.720 -3.580 4.580 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.668 -2.314 3.739 1.00 0.00 C ATOM 468 CD2 LEU A 37 -4.157 -4.761 3.803 1.00 0.00 C ATOM 0 H LEU A 37 -5.323 -3.269 8.178 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.294 -5.435 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.259 -2.434 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.893 -3.305 5.658 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.762 -3.792 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.218 -2.471 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.119 -1.490 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.630 -2.072 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.714 -4.884 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.107 -4.579 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.246 -5.667 4.403 1.00 0.00 H new ATOM 480 N ASP A 38 -3.047 -4.369 9.105 1.00 0.00 N ATOM 481 CA ASP A 38 -1.929 -4.444 10.038 1.00 0.00 C ATOM 482 C ASP A 38 -0.867 -3.403 9.699 1.00 0.00 C ATOM 483 O ASP A 38 0.330 -3.692 9.723 1.00 0.00 O ATOM 484 CB ASP A 38 -1.313 -5.844 10.018 1.00 0.00 C ATOM 485 CG ASP A 38 -2.239 -6.893 10.601 1.00 0.00 C ATOM 486 OD1 ASP A 38 -2.556 -6.801 11.806 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.648 -7.805 9.853 1.00 0.00 O ATOM 0 H ASP A 38 -3.942 -4.140 9.537 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.309 -4.237 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.064 -6.113 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.379 -5.835 10.580 1.00 0.00 H new ATOM 492 N ILE A 39 -1.313 -2.192 9.382 1.00 0.00 N ATOM 493 CA ILE A 39 -0.401 -1.108 9.038 1.00 0.00 C ATOM 494 C ILE A 39 -0.213 -0.154 10.213 1.00 0.00 C ATOM 495 O ILE A 39 -1.152 0.120 10.960 1.00 0.00 O ATOM 496 CB ILE A 39 -0.907 -0.312 7.821 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.989 -1.217 6.590 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.003 0.877 7.551 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.493 -0.509 5.352 1.00 0.00 C ATOM 0 H ILE A 39 -2.300 -1.937 9.356 1.00 0.00 H new ATOM 0 HA ILE A 39 0.556 -1.567 8.789 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.907 0.062 8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.001 -1.629 6.386 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.646 -2.058 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.367 1.430 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.016 1.531 8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.014 0.523 7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.525 -1.211 4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.494 -0.120 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.823 0.315 5.106 1.00 0.00 H new ATOM 511 N ALA A 40 1.007 0.349 10.370 1.00 0.00 N ATOM 512 CA ALA A 40 1.318 1.276 11.451 1.00 0.00 C ATOM 513 C ALA A 40 0.911 2.700 11.088 1.00 0.00 C ATOM 514 O ALA A 40 1.524 3.331 10.227 1.00 0.00 O ATOM 515 CB ALA A 40 2.801 1.218 11.786 1.00 0.00 C ATOM 0 H ALA A 40 1.796 0.130 9.762 1.00 0.00 H new ATOM 0 HA ALA A 40 0.746 0.976 12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.019 1.915 12.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.064 0.207 12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.384 1.490 10.906 1.00 0.00 H new ATOM 521 N VAL A 41 -0.127 3.201 11.750 1.00 0.00 N ATOM 522 CA VAL A 41 -0.616 4.551 11.497 1.00 0.00 C ATOM 523 C VAL A 41 0.413 5.595 11.915 1.00 0.00 C ATOM 524 O VAL A 41 0.626 5.832 13.105 1.00 0.00 O ATOM 525 CB VAL A 41 -1.936 4.819 12.243 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.420 6.237 11.980 1.00 0.00 C ATOM 527 CG2 VAL A 41 -2.993 3.803 11.838 1.00 0.00 C ATOM 0 H VAL A 41 -0.646 2.692 12.466 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.792 4.628 10.424 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.756 4.715 13.313 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.354 6.408 12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.669 6.948 12.325 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.585 6.373 10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.919 4.008 12.375 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.173 3.873 10.765 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.646 2.799 12.083 1.00 0.00 H new ATOM 537 N THR A 42 1.050 6.219 10.929 1.00 0.00 N ATOM 538 CA THR A 42 2.057 7.238 11.194 1.00 0.00 C ATOM 539 C THR A 42 1.713 8.547 10.493 1.00 0.00 C ATOM 540 O THR A 42 1.043 8.569 9.460 1.00 0.00 O ATOM 541 CB THR A 42 3.455 6.778 10.739 1.00 0.00 C ATOM 542 OG1 THR A 42 3.480 6.622 9.316 1.00 0.00 O ATOM 543 CG2 THR A 42 3.836 5.465 11.406 1.00 0.00 C ATOM 0 H THR A 42 0.886 6.036 9.939 1.00 0.00 H new ATOM 0 HA THR A 42 2.068 7.398 12.272 1.00 0.00 H new ATOM 0 HB THR A 42 4.178 7.539 11.033 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.372 6.331 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.827 5.160 11.069 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.845 5.596 12.488 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.110 4.697 11.139 1.00 0.00 H new ATOM 551 N PRO A 43 2.181 9.667 11.065 1.00 0.00 N ATOM 552 CA PRO A 43 1.936 11.001 10.510 1.00 0.00 C ATOM 553 C PRO A 43 2.690 11.235 9.206 1.00 0.00 C ATOM 554 O PRO A 43 2.548 12.282 8.573 1.00 0.00 O ATOM 555 CB PRO A 43 2.453 11.940 11.603 1.00 0.00 C ATOM 556 CG PRO A 43 3.469 11.139 12.341 1.00 0.00 C ATOM 557 CD PRO A 43 2.986 9.716 12.297 1.00 0.00 C ATOM 0 HA PRO A 43 0.886 11.152 10.261 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.893 12.841 11.175 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.647 12.261 12.263 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.451 11.232 11.878 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.568 11.486 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.816 9.011 12.263 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.391 9.466 13.176 1.00 0.00 H new ATOM 565 N LEU A 44 3.493 10.254 8.808 1.00 0.00 N ATOM 566 CA LEU A 44 4.270 10.352 7.578 1.00 0.00 C ATOM 567 C LEU A 44 3.668 9.479 6.482 1.00 0.00 C ATOM 568 O LEU A 44 3.622 9.871 5.316 1.00 0.00 O ATOM 569 CB LEU A 44 5.721 9.940 7.834 1.00 0.00 C ATOM 570 CG LEU A 44 6.611 9.813 6.597 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.229 11.156 6.243 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.694 8.768 6.824 1.00 0.00 C ATOM 0 H LEU A 44 3.623 9.381 9.320 1.00 0.00 H new ATOM 0 HA LEU A 44 4.246 11.389 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.171 10.669 8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.719 8.983 8.356 1.00 0.00 H new ATOM 0 HG LEU A 44 5.992 9.490 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.859 11.045 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.438 11.877 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.834 11.510 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.318 8.691 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.310 9.061 7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.231 7.802 7.027 1.00 0.00 H new ATOM 584 N LYS A 45 3.204 8.294 6.864 1.00 0.00 N ATOM 585 CA LYS A 45 2.601 7.365 5.916 1.00 0.00 C ATOM 586 C LYS A 45 1.305 7.934 5.347 1.00 0.00 C ATOM 587 O LYS A 45 1.104 7.953 4.132 1.00 0.00 O ATOM 588 CB LYS A 45 2.326 6.020 6.592 1.00 0.00 C ATOM 589 CG LYS A 45 2.177 4.868 5.614 1.00 0.00 C ATOM 590 CD LYS A 45 1.970 3.547 6.337 1.00 0.00 C ATOM 591 CE LYS A 45 3.178 3.179 7.184 1.00 0.00 C ATOM 592 NZ LYS A 45 3.016 1.850 7.835 1.00 0.00 N ATOM 0 H LYS A 45 3.234 7.954 7.825 1.00 0.00 H new ATOM 0 HA LYS A 45 3.303 7.215 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.139 5.797 7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.416 6.101 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.332 5.058 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.066 4.805 4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.086 3.613 6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.781 2.758 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.071 3.170 6.559 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.331 3.941 7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.868 1.629 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.189 1.870 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.878 1.121 7.106 1.00 0.00 H new ATOM 606 N ARG A 46 0.429 8.399 6.232 1.00 0.00 N ATOM 607 CA ARG A 46 -0.847 8.969 5.817 1.00 0.00 C ATOM 608 C ARG A 46 -0.710 9.695 4.482 1.00 0.00 C ATOM 609 O ARG A 46 -1.529 9.518 3.581 1.00 0.00 O ATOM 610 CB ARG A 46 -1.370 9.934 6.883 1.00 0.00 C ATOM 611 CG ARG A 46 -1.860 9.241 8.144 1.00 0.00 C ATOM 612 CD ARG A 46 -2.055 10.230 9.283 1.00 0.00 C ATOM 613 NE ARG A 46 -3.158 11.151 9.026 1.00 0.00 N ATOM 614 CZ ARG A 46 -3.260 12.351 9.587 1.00 0.00 C ATOM 615 NH1 ARG A 46 -2.329 12.772 10.432 1.00 0.00 N ATOM 616 NH2 ARG A 46 -4.294 13.133 9.302 1.00 0.00 N ATOM 0 H ARG A 46 0.580 8.392 7.241 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.558 8.152 5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.577 10.634 7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.186 10.521 6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.801 8.731 7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.142 8.477 8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.246 9.685 10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.136 10.797 9.431 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.891 10.857 8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.532 12.174 10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.409 13.694 10.862 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.012 12.813 8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.371 14.054 9.733 1.00 0.00 H new ATOM 630 N ALA A 47 0.330 10.513 4.363 1.00 0.00 N ATOM 631 CA ALA A 47 0.575 11.265 3.139 1.00 0.00 C ATOM 632 C ALA A 47 1.305 10.410 2.107 1.00 0.00 C ATOM 633 O ALA A 47 2.292 9.747 2.422 1.00 0.00 O ATOM 634 CB ALA A 47 1.373 12.524 3.443 1.00 0.00 C ATOM 0 H ALA A 47 1.017 10.672 5.100 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.389 11.552 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.548 13.075 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.814 13.150 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.329 12.250 3.889 1.00 0.00 H new ATOM 640 N GLY A 48 0.811 10.431 0.873 1.00 0.00 N ATOM 641 CA GLY A 48 1.428 9.654 -0.186 1.00 0.00 C ATOM 642 C GLY A 48 1.268 8.161 0.022 1.00 0.00 C ATOM 643 O GLY A 48 2.190 7.388 -0.240 1.00 0.00 O ATOM 0 H GLY A 48 -0.005 10.972 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.986 9.934 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.489 9.898 -0.241 1.00 0.00 H new ATOM 647 N TRP A 49 0.096 7.754 0.496 1.00 0.00 N ATOM 648 CA TRP A 49 -0.181 6.343 0.742 1.00 0.00 C ATOM 649 C TRP A 49 -0.781 5.683 -0.495 1.00 0.00 C ATOM 650 O TRP A 49 -1.261 6.364 -1.401 1.00 0.00 O ATOM 651 CB TRP A 49 -1.131 6.187 1.930 1.00 0.00 C ATOM 652 CG TRP A 49 -1.432 4.758 2.267 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.688 3.929 3.056 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.556 3.991 1.823 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.282 2.692 3.130 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.430 2.705 2.383 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.658 4.267 1.009 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.364 1.698 2.152 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.584 3.267 0.781 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.433 1.996 1.351 1.00 0.00 C ATOM 0 H TRP A 49 -0.678 8.381 0.718 1.00 0.00 H new ATOM 0 HA TRP A 49 0.762 5.848 0.974 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.694 6.674 2.802 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.064 6.705 1.710 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.232 4.205 3.550 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.926 1.894 3.656 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.784 5.244 0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.249 0.717 2.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.439 3.469 0.153 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.175 1.236 1.154 1.00 0.00 H new ATOM 671 N GLN A 50 -0.750 4.354 -0.525 1.00 0.00 N ATOM 672 CA GLN A 50 -1.291 3.604 -1.652 1.00 0.00 C ATOM 673 C GLN A 50 -1.623 2.173 -1.244 1.00 0.00 C ATOM 674 O GLN A 50 -0.856 1.525 -0.531 1.00 0.00 O ATOM 675 CB GLN A 50 -0.295 3.598 -2.813 1.00 0.00 C ATOM 676 CG GLN A 50 -0.521 4.719 -3.815 1.00 0.00 C ATOM 677 CD GLN A 50 0.201 4.483 -5.127 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.193 5.147 -5.430 1.00 0.00 O ATOM 679 NE2 GLN A 50 -0.294 3.535 -5.913 1.00 0.00 N ATOM 0 H GLN A 50 -0.356 3.776 0.217 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.210 4.093 -1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.716 3.677 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.359 2.641 -3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.589 4.821 -4.006 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.183 5.661 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.118 3.010 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.150 3.332 -6.809 1.00 0.00 H new ATOM 688 N CYS A 51 -2.772 1.684 -1.700 1.00 0.00 N ATOM 689 CA CYS A 51 -3.207 0.329 -1.382 1.00 0.00 C ATOM 690 C CYS A 51 -2.316 -0.703 -2.067 1.00 0.00 C ATOM 691 O CYS A 51 -1.664 -0.427 -3.074 1.00 0.00 O ATOM 692 CB CYS A 51 -4.662 0.126 -1.807 1.00 0.00 C ATOM 693 SG CYS A 51 -4.872 -0.277 -3.571 1.00 0.00 S ATOM 0 H CYS A 51 -3.419 2.206 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.128 0.192 -0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.096 -0.675 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.225 1.032 -1.583 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.909 0.351 -4.039 1.00 0.00 H new ATOM 698 N PRO A 52 -2.287 -1.923 -1.509 1.00 0.00 N ATOM 699 CA PRO A 52 -1.481 -3.021 -2.049 1.00 0.00 C ATOM 700 C PRO A 52 -2.020 -3.536 -3.380 1.00 0.00 C ATOM 701 O PRO A 52 -1.442 -4.436 -3.987 1.00 0.00 O ATOM 702 CB PRO A 52 -1.591 -4.105 -0.973 1.00 0.00 C ATOM 703 CG PRO A 52 -2.876 -3.817 -0.277 1.00 0.00 C ATOM 704 CD PRO A 52 -3.039 -2.323 -0.308 1.00 0.00 C ATOM 0 HA PRO A 52 -0.457 -2.710 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.594 -5.102 -1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.749 -4.065 -0.282 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.709 -4.311 -0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.855 -4.186 0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.088 -2.034 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.638 -1.856 0.592 1.00 0.00 H new ATOM 712 N GLU A 53 -3.130 -2.957 -3.827 1.00 0.00 N ATOM 713 CA GLU A 53 -3.746 -3.358 -5.086 1.00 0.00 C ATOM 714 C GLU A 53 -3.343 -2.414 -6.215 1.00 0.00 C ATOM 715 O GLU A 53 -3.406 -2.771 -7.392 1.00 0.00 O ATOM 716 CB GLU A 53 -5.270 -3.384 -4.949 1.00 0.00 C ATOM 717 CG GLU A 53 -5.759 -4.166 -3.741 1.00 0.00 C ATOM 718 CD GLU A 53 -5.946 -5.641 -4.039 1.00 0.00 C ATOM 719 OE1 GLU A 53 -4.951 -6.392 -3.963 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.087 -6.045 -4.347 1.00 0.00 O ATOM 0 H GLU A 53 -3.621 -2.209 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.393 -4.360 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.638 -2.360 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.700 -3.819 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.045 -4.051 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.705 -3.745 -3.399 1.00 0.00 H new ATOM 727 N CYS A 54 -2.928 -1.206 -5.848 1.00 0.00 N ATOM 728 CA CYS A 54 -2.514 -0.209 -6.827 1.00 0.00 C ATOM 729 C CYS A 54 -1.018 0.071 -6.721 1.00 0.00 C ATOM 730 O CYS A 54 -0.352 0.342 -7.721 1.00 0.00 O ATOM 731 CB CYS A 54 -3.301 1.088 -6.629 1.00 0.00 C ATOM 732 SG CYS A 54 -5.085 0.934 -6.963 1.00 0.00 S ATOM 0 H CYS A 54 -2.870 -0.894 -4.879 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.722 -0.605 -7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.163 1.431 -5.604 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.885 1.856 -7.281 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.756 1.279 -5.905 1.00 0.00 H new ATOM 737 N LYS A 55 -0.494 0.001 -5.502 1.00 0.00 N ATOM 738 CA LYS A 55 0.924 0.245 -5.263 1.00 0.00 C ATOM 739 C LYS A 55 1.786 -0.687 -6.108 1.00 0.00 C ATOM 740 O LYS A 55 1.410 -1.829 -6.372 1.00 0.00 O ATOM 741 CB LYS A 55 1.252 0.054 -3.780 1.00 0.00 C ATOM 742 CG LYS A 55 2.730 -0.164 -3.507 1.00 0.00 C ATOM 743 CD LYS A 55 3.029 -0.159 -2.017 1.00 0.00 C ATOM 744 CE LYS A 55 2.895 -1.550 -1.418 1.00 0.00 C ATOM 745 NZ LYS A 55 3.981 -2.460 -1.880 1.00 0.00 N ATOM 0 H LYS A 55 -1.030 -0.223 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 55 1.143 1.274 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.914 0.930 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.691 -0.800 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.044 -1.114 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.311 0.617 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.039 0.215 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.347 0.524 -1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.917 -1.481 -0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.927 -1.971 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.884 -3.383 -1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.913 -2.587 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.905 -2.046 -1.642 1.00 0.00 H new ATOM 759 N VAL A 56 2.945 -0.192 -6.531 1.00 0.00 N ATOM 760 CA VAL A 56 3.862 -0.981 -7.344 1.00 0.00 C ATOM 761 C VAL A 56 5.289 -0.457 -7.230 1.00 0.00 C ATOM 762 O VAL A 56 5.525 0.615 -6.672 1.00 0.00 O ATOM 763 CB VAL A 56 3.443 -0.977 -8.827 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.012 -1.472 -8.978 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.600 0.414 -9.420 1.00 0.00 C ATOM 0 H VAL A 56 3.271 0.752 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 56 3.822 -2.002 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 56 4.097 -1.656 -9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.733 -1.462 -10.032 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.936 -2.488 -8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.341 -0.820 -8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.300 0.399 -10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.971 1.116 -8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.642 0.726 -9.346 1.00 0.00 H new ATOM 775 N CYS A 57 6.238 -1.220 -7.762 1.00 0.00 N ATOM 776 CA CYS A 57 7.643 -0.833 -7.720 1.00 0.00 C ATOM 777 C CYS A 57 7.850 0.537 -8.359 1.00 0.00 C ATOM 778 O CYS A 57 7.079 0.951 -9.224 1.00 0.00 O ATOM 779 CB CYS A 57 8.502 -1.877 -8.437 1.00 0.00 C ATOM 780 SG CYS A 57 10.296 -1.624 -8.242 1.00 0.00 S ATOM 0 H CYS A 57 6.059 -2.110 -8.227 1.00 0.00 H new ATOM 0 HA CYS A 57 7.947 -0.776 -6.675 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.242 -2.866 -8.061 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.258 -1.866 -9.499 1.00 0.00 H new ATOM 0 HG CYS A 57 10.935 -2.636 -8.750 1.00 0.00 H new ATOM 785 N GLN A 58 8.895 1.235 -7.925 1.00 0.00 N ATOM 786 CA GLN A 58 9.202 2.558 -8.454 1.00 0.00 C ATOM 787 C GLN A 58 10.447 2.517 -9.335 1.00 0.00 C ATOM 788 O GLN A 58 10.702 3.439 -10.109 1.00 0.00 O ATOM 789 CB GLN A 58 9.405 3.553 -7.311 1.00 0.00 C ATOM 790 CG GLN A 58 8.167 3.753 -6.451 1.00 0.00 C ATOM 791 CD GLN A 58 7.048 4.456 -7.193 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.284 5.405 -7.941 1.00 0.00 O ATOM 793 NE2 GLN A 58 5.820 3.993 -6.991 1.00 0.00 N ATOM 0 H GLN A 58 9.543 0.906 -7.209 1.00 0.00 H new ATOM 0 HA GLN A 58 8.358 2.882 -9.063 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.223 3.207 -6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.708 4.514 -7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.812 2.784 -6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.433 4.334 -5.568 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.669 3.204 -6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.027 4.426 -7.464 1.00 0.00 H new ATOM 802 N ASN A 59 11.218 1.442 -9.210 1.00 0.00 N ATOM 803 CA ASN A 59 12.437 1.282 -9.995 1.00 0.00 C ATOM 804 C ASN A 59 12.125 0.713 -11.375 1.00 0.00 C ATOM 805 O ASN A 59 12.626 1.203 -12.388 1.00 0.00 O ATOM 806 CB ASN A 59 13.421 0.365 -9.264 1.00 0.00 C ATOM 807 CG ASN A 59 13.456 0.627 -7.771 1.00 0.00 C ATOM 808 OD1 ASN A 59 12.563 0.207 -7.035 1.00 0.00 O ATOM 809 ND2 ASN A 59 14.490 1.325 -7.317 1.00 0.00 N ATOM 0 H ASN A 59 11.021 0.670 -8.574 1.00 0.00 H new ATOM 0 HA ASN A 59 12.890 2.265 -10.121 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.145 -0.674 -9.441 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.420 0.505 -9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.567 1.533 -6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.207 1.653 -7.964 1.00 0.00 H new ATOM 816 N CYS A 60 11.294 -0.323 -11.409 1.00 0.00 N ATOM 817 CA CYS A 60 10.913 -0.959 -12.664 1.00 0.00 C ATOM 818 C CYS A 60 9.453 -0.670 -12.999 1.00 0.00 C ATOM 819 O CYS A 60 9.066 -0.639 -14.168 1.00 0.00 O ATOM 820 CB CYS A 60 11.141 -2.469 -12.584 1.00 0.00 C ATOM 821 SG CYS A 60 9.900 -3.357 -11.588 1.00 0.00 S ATOM 0 H CYS A 60 10.871 -0.741 -10.580 1.00 0.00 H new ATOM 0 HA CYS A 60 11.537 -0.546 -13.456 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.142 -2.879 -13.594 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.129 -2.655 -12.163 1.00 0.00 H new ATOM 0 HG CYS A 60 9.926 -2.913 -10.366 1.00 0.00 H new ATOM 826 N LYS A 61 8.645 -0.459 -11.966 1.00 0.00 N ATOM 827 CA LYS A 61 7.227 -0.172 -12.148 1.00 0.00 C ATOM 828 C LYS A 61 6.498 -1.378 -12.731 1.00 0.00 C ATOM 829 O LYS A 61 5.801 -1.265 -13.739 1.00 0.00 O ATOM 830 CB LYS A 61 7.045 1.040 -13.066 1.00 0.00 C ATOM 831 CG LYS A 61 7.756 2.288 -12.572 1.00 0.00 C ATOM 832 CD LYS A 61 6.873 3.100 -11.640 1.00 0.00 C ATOM 833 CE LYS A 61 7.597 4.331 -11.117 1.00 0.00 C ATOM 834 NZ LYS A 61 7.469 5.487 -12.048 1.00 0.00 N ATOM 0 H LYS A 61 8.948 -0.481 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 61 6.799 0.052 -11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.415 0.791 -14.061 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.981 1.253 -13.166 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.671 2.005 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.049 2.902 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.969 3.405 -12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.558 2.478 -10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.193 4.603 -10.142 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.652 4.097 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.976 6.306 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.878 5.236 -12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.464 5.727 -12.168 1.00 0.00 H new ATOM 848 N GLN A 62 6.662 -2.530 -12.089 1.00 0.00 N ATOM 849 CA GLN A 62 6.018 -3.756 -12.544 1.00 0.00 C ATOM 850 C GLN A 62 5.411 -4.520 -11.372 1.00 0.00 C ATOM 851 O GLN A 62 6.130 -5.092 -10.552 1.00 0.00 O ATOM 852 CB GLN A 62 7.024 -4.643 -13.280 1.00 0.00 C ATOM 853 CG GLN A 62 7.365 -4.147 -14.676 1.00 0.00 C ATOM 854 CD GLN A 62 8.041 -5.207 -15.523 1.00 0.00 C ATOM 855 OE1 GLN A 62 7.531 -5.597 -16.573 1.00 0.00 O ATOM 856 NE2 GLN A 62 9.197 -5.679 -15.070 1.00 0.00 N ATOM 0 H GLN A 62 7.235 -2.640 -11.252 1.00 0.00 H new ATOM 0 HA GLN A 62 5.216 -3.482 -13.230 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.940 -4.705 -12.692 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.621 -5.653 -13.351 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.453 -3.817 -15.173 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.018 -3.278 -14.599 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.583 -5.327 -14.194 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.698 -6.393 -15.598 1.00 0.00 H new ATOM 865 N SER A 63 4.084 -4.524 -11.298 1.00 0.00 N ATOM 866 CA SER A 63 3.380 -5.215 -10.223 1.00 0.00 C ATOM 867 C SER A 63 3.370 -6.722 -10.461 1.00 0.00 C ATOM 868 O SER A 63 3.680 -7.191 -11.554 1.00 0.00 O ATOM 869 CB SER A 63 1.946 -4.695 -10.108 1.00 0.00 C ATOM 870 OG SER A 63 1.123 -5.241 -11.124 1.00 0.00 O ATOM 0 H SER A 63 3.474 -4.057 -11.969 1.00 0.00 H new ATOM 0 HA SER A 63 3.907 -5.016 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.540 -4.952 -9.130 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.943 -3.607 -10.179 1.00 0.00 H new ATOM 0 HG SER A 63 0.211 -4.895 -11.028 1.00 0.00 H new ATOM 876 N GLY A 64 3.010 -7.475 -9.426 1.00 0.00 N ATOM 877 CA GLY A 64 2.966 -8.921 -9.541 1.00 0.00 C ATOM 878 C GLY A 64 3.678 -9.616 -8.397 1.00 0.00 C ATOM 879 O GLY A 64 3.051 -10.005 -7.413 1.00 0.00 O ATOM 0 H GLY A 64 2.748 -7.110 -8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.927 -9.249 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.422 -9.221 -10.484 1.00 0.00 H new ATOM 883 N GLU A 65 4.992 -9.773 -8.529 1.00 0.00 N ATOM 884 CA GLU A 65 5.789 -10.429 -7.498 1.00 0.00 C ATOM 885 C GLU A 65 5.694 -9.674 -6.175 1.00 0.00 C ATOM 886 O GLU A 65 6.556 -8.857 -5.852 1.00 0.00 O ATOM 887 CB GLU A 65 7.251 -10.527 -7.939 1.00 0.00 C ATOM 888 CG GLU A 65 7.842 -9.201 -8.388 1.00 0.00 C ATOM 889 CD GLU A 65 8.877 -9.365 -9.484 1.00 0.00 C ATOM 890 OE1 GLU A 65 9.825 -10.154 -9.292 1.00 0.00 O ATOM 891 OE2 GLU A 65 8.737 -8.704 -10.534 1.00 0.00 O ATOM 0 H GLU A 65 5.526 -9.456 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 65 5.393 -11.434 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.845 -10.919 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.328 -11.245 -8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.041 -8.552 -8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.299 -8.703 -7.533 1.00 0.00 H new ATOM 898 N ASP A 66 4.641 -9.954 -5.416 1.00 0.00 N ATOM 899 CA ASP A 66 4.433 -9.302 -4.128 1.00 0.00 C ATOM 900 C ASP A 66 5.403 -9.843 -3.082 1.00 0.00 C ATOM 901 O ASP A 66 6.116 -9.082 -2.430 1.00 0.00 O ATOM 902 CB ASP A 66 2.991 -9.504 -3.657 1.00 0.00 C ATOM 903 CG ASP A 66 2.565 -10.958 -3.705 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.112 -11.409 -4.779 1.00 0.00 O ATOM 905 OD2 ASP A 66 2.685 -11.646 -2.670 1.00 0.00 O ATOM 0 H ASP A 66 3.918 -10.628 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 66 4.620 -8.236 -4.254 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.889 -9.132 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.322 -8.911 -4.281 1.00 0.00 H new ATOM 910 N SER A 67 5.423 -11.164 -2.928 1.00 0.00 N ATOM 911 CA SER A 67 6.302 -11.806 -1.958 1.00 0.00 C ATOM 912 C SER A 67 7.678 -11.148 -1.952 1.00 0.00 C ATOM 913 O SER A 67 8.081 -10.533 -0.965 1.00 0.00 O ATOM 914 CB SER A 67 6.439 -13.298 -2.272 1.00 0.00 C ATOM 915 OG SER A 67 5.325 -14.026 -1.784 1.00 0.00 O ATOM 0 H SER A 67 4.841 -11.809 -3.462 1.00 0.00 H new ATOM 0 HA SER A 67 5.858 -11.689 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.526 -13.440 -3.349 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.355 -13.685 -1.824 1.00 0.00 H new ATOM 0 HG SER A 67 5.435 -14.976 -1.999 1.00 0.00 H new ATOM 921 N LYS A 68 8.396 -11.282 -3.062 1.00 0.00 N ATOM 922 CA LYS A 68 9.727 -10.701 -3.189 1.00 0.00 C ATOM 923 C LYS A 68 9.695 -9.202 -2.905 1.00 0.00 C ATOM 924 O LYS A 68 10.570 -8.672 -2.222 1.00 0.00 O ATOM 925 CB LYS A 68 10.286 -10.954 -4.591 1.00 0.00 C ATOM 926 CG LYS A 68 10.207 -12.407 -5.024 1.00 0.00 C ATOM 927 CD LYS A 68 10.951 -12.642 -6.327 1.00 0.00 C ATOM 928 CE LYS A 68 10.444 -13.885 -7.043 1.00 0.00 C ATOM 929 NZ LYS A 68 9.233 -13.599 -7.860 1.00 0.00 N ATOM 0 H LYS A 68 8.078 -11.789 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 68 10.376 -11.179 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.740 -10.340 -5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.326 -10.630 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.627 -13.043 -4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.163 -12.696 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.834 -11.774 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.017 -12.747 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.231 -14.280 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.213 -14.658 -6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.919 -14.471 -8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.474 -13.246 -7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.459 -12.880 -8.577 1.00 0.00 H new ATOM 943 N MET A 69 8.680 -8.526 -3.433 1.00 0.00 N ATOM 944 CA MET A 69 8.534 -7.089 -3.234 1.00 0.00 C ATOM 945 C MET A 69 8.579 -6.738 -1.751 1.00 0.00 C ATOM 946 O MET A 69 7.962 -7.412 -0.924 1.00 0.00 O ATOM 947 CB MET A 69 7.220 -6.599 -3.846 1.00 0.00 C ATOM 948 CG MET A 69 7.018 -5.097 -3.729 1.00 0.00 C ATOM 949 SD MET A 69 7.633 -4.199 -5.166 1.00 0.00 S ATOM 950 CE MET A 69 6.133 -3.406 -5.738 1.00 0.00 C ATOM 0 H MET A 69 7.947 -8.950 -4.002 1.00 0.00 H new ATOM 0 HA MET A 69 9.367 -6.592 -3.732 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.192 -6.880 -4.899 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.389 -7.108 -3.358 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.956 -4.886 -3.601 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.525 -4.735 -2.835 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.063 -3.498 -6.822 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.269 -3.885 -5.277 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.152 -2.351 -5.464 1.00 0.00 H new ATOM 960 N LEU A 70 9.313 -5.682 -1.419 1.00 0.00 N ATOM 961 CA LEU A 70 9.440 -5.242 -0.034 1.00 0.00 C ATOM 962 C LEU A 70 8.424 -4.149 0.285 1.00 0.00 C ATOM 963 O LEU A 70 8.025 -3.383 -0.592 1.00 0.00 O ATOM 964 CB LEU A 70 10.856 -4.731 0.232 1.00 0.00 C ATOM 965 CG LEU A 70 11.996 -5.634 -0.242 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.196 -4.801 -0.664 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.385 -6.619 0.850 1.00 0.00 C ATOM 0 H LEU A 70 9.830 -5.114 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 70 9.242 -6.097 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.966 -3.759 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.968 -4.571 1.304 1.00 0.00 H new ATOM 0 HG LEU A 70 11.650 -6.200 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.997 -5.460 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.909 -4.137 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.543 -4.208 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.197 -7.253 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.712 -6.072 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.525 -7.239 1.104 1.00 0.00 H new ATOM 979 N VAL A 71 8.011 -4.083 1.546 1.00 0.00 N ATOM 980 CA VAL A 71 7.044 -3.082 1.983 1.00 0.00 C ATOM 981 C VAL A 71 7.521 -2.370 3.244 1.00 0.00 C ATOM 982 O VAL A 71 7.377 -2.886 4.353 1.00 0.00 O ATOM 983 CB VAL A 71 5.666 -3.713 2.252 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.654 -2.643 2.636 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.192 -4.496 1.037 1.00 0.00 C ATOM 0 H VAL A 71 8.331 -4.711 2.284 1.00 0.00 H new ATOM 0 HA VAL A 71 6.951 -2.357 1.174 1.00 0.00 H new ATOM 0 HB VAL A 71 5.760 -4.406 3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.686 -3.108 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.990 -2.131 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.560 -1.923 1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.216 -4.935 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.113 -3.826 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.906 -5.288 0.813 1.00 0.00 H new ATOM 995 N CYS A 72 8.090 -1.182 3.067 1.00 0.00 N ATOM 996 CA CYS A 72 8.588 -0.398 4.191 1.00 0.00 C ATOM 997 C CYS A 72 7.551 -0.327 5.307 1.00 0.00 C ATOM 998 O CYS A 72 6.376 -0.630 5.098 1.00 0.00 O ATOM 999 CB CYS A 72 8.957 1.013 3.731 1.00 0.00 C ATOM 1000 SG CYS A 72 10.114 1.879 4.840 1.00 0.00 S ATOM 0 H CYS A 72 8.218 -0.741 2.156 1.00 0.00 H new ATOM 0 HA CYS A 72 9.479 -0.891 4.579 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.399 0.955 2.736 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.046 1.604 3.641 1.00 0.00 H new ATOM 0 HG CYS A 72 10.934 2.600 4.134 1.00 0.00 H new ATOM 1005 N ASP A 73 7.993 0.077 6.493 1.00 0.00 N ATOM 1006 CA ASP A 73 7.103 0.190 7.643 1.00 0.00 C ATOM 1007 C ASP A 73 6.737 1.648 7.905 1.00 0.00 C ATOM 1008 O ASP A 73 5.635 1.950 8.363 1.00 0.00 O ATOM 1009 CB ASP A 73 7.760 -0.415 8.885 1.00 0.00 C ATOM 1010 CG ASP A 73 6.832 -0.425 10.084 1.00 0.00 C ATOM 1011 OD1 ASP A 73 6.034 -1.378 10.207 1.00 0.00 O ATOM 1012 OD2 ASP A 73 6.904 0.519 10.898 1.00 0.00 O ATOM 0 H ASP A 73 8.962 0.332 6.683 1.00 0.00 H new ATOM 0 HA ASP A 73 6.189 -0.361 7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.076 -1.435 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.659 0.151 9.129 1.00 0.00 H new ATOM 1017 N THR A 74 7.670 2.549 7.613 1.00 0.00 N ATOM 1018 CA THR A 74 7.447 3.974 7.819 1.00 0.00 C ATOM 1019 C THR A 74 6.717 4.594 6.633 1.00 0.00 C ATOM 1020 O THR A 74 5.549 4.970 6.736 1.00 0.00 O ATOM 1021 CB THR A 74 8.774 4.725 8.041 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.351 4.340 9.293 1.00 0.00 O ATOM 1023 CG2 THR A 74 8.555 6.230 8.018 1.00 0.00 C ATOM 0 H THR A 74 8.588 2.316 7.233 1.00 0.00 H new ATOM 0 HA THR A 74 6.830 4.071 8.712 1.00 0.00 H new ATOM 0 HB THR A 74 9.455 4.461 7.232 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.195 4.820 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.506 6.739 8.177 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.144 6.523 7.052 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.858 6.508 8.809 1.00 0.00 H new ATOM 1031 N CYS A 75 7.413 4.697 5.505 1.00 0.00 N ATOM 1032 CA CYS A 75 6.832 5.271 4.298 1.00 0.00 C ATOM 1033 C CYS A 75 5.933 4.259 3.593 1.00 0.00 C ATOM 1034 O CYS A 75 5.077 4.628 2.788 1.00 0.00 O ATOM 1035 CB CYS A 75 7.936 5.738 3.347 1.00 0.00 C ATOM 1036 SG CYS A 75 8.781 4.385 2.467 1.00 0.00 S ATOM 0 H CYS A 75 8.380 4.390 5.402 1.00 0.00 H new ATOM 0 HA CYS A 75 6.226 6.129 4.589 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.505 6.420 2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.674 6.305 3.915 1.00 0.00 H new ATOM 0 HG CYS A 75 9.328 3.581 3.330 1.00 0.00 H new ATOM 1041 N ASP A 76 6.133 2.983 3.901 1.00 0.00 N ATOM 1042 CA ASP A 76 5.341 1.917 3.298 1.00 0.00 C ATOM 1043 C ASP A 76 5.431 1.967 1.776 1.00 0.00 C ATOM 1044 O ASP A 76 4.413 2.005 1.084 1.00 0.00 O ATOM 1045 CB ASP A 76 3.880 2.027 3.739 1.00 0.00 C ATOM 1046 CG ASP A 76 3.589 1.215 4.985 1.00 0.00 C ATOM 1047 OD1 ASP A 76 4.502 1.068 5.824 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.448 0.725 5.121 1.00 0.00 O ATOM 0 H ASP A 76 6.837 2.661 4.565 1.00 0.00 H new ATOM 0 HA ASP A 76 5.744 0.962 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.638 3.073 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.233 1.690 2.930 1.00 0.00 H new ATOM 1053 N LYS A 77 6.655 1.968 1.261 1.00 0.00 N ATOM 1054 CA LYS A 77 6.880 2.013 -0.179 1.00 0.00 C ATOM 1055 C LYS A 77 6.993 0.605 -0.756 1.00 0.00 C ATOM 1056 O LYS A 77 6.794 -0.383 -0.051 1.00 0.00 O ATOM 1057 CB LYS A 77 8.149 2.807 -0.493 1.00 0.00 C ATOM 1058 CG LYS A 77 7.931 4.310 -0.537 1.00 0.00 C ATOM 1059 CD LYS A 77 7.566 4.780 -1.936 1.00 0.00 C ATOM 1060 CE LYS A 77 6.068 5.007 -2.074 1.00 0.00 C ATOM 1061 NZ LYS A 77 5.635 6.268 -1.411 1.00 0.00 N ATOM 0 H LYS A 77 7.508 1.938 1.820 1.00 0.00 H new ATOM 0 HA LYS A 77 6.025 2.508 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.905 2.580 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.545 2.478 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.138 4.584 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.836 4.820 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.098 5.705 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.892 4.039 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.802 5.042 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.531 4.164 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.616 6.222 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.158 6.389 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.828 7.074 -2.039 1.00 0.00 H new ATOM 1075 N GLY A 78 7.315 0.522 -2.044 1.00 0.00 N ATOM 1076 CA GLY A 78 7.451 -0.769 -2.693 1.00 0.00 C ATOM 1077 C GLY A 78 8.678 -0.846 -3.579 1.00 0.00 C ATOM 1078 O GLY A 78 8.793 -0.108 -4.558 1.00 0.00 O ATOM 0 H GLY A 78 7.484 1.326 -2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.505 -1.550 -1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.562 -0.967 -3.291 1.00 0.00 H new ATOM 1082 N TYR A 79 9.598 -1.741 -3.236 1.00 0.00 N ATOM 1083 CA TYR A 79 10.825 -1.909 -4.005 1.00 0.00 C ATOM 1084 C TYR A 79 11.264 -3.370 -4.017 1.00 0.00 C ATOM 1085 O TYR A 79 11.553 -3.953 -2.972 1.00 0.00 O ATOM 1086 CB TYR A 79 11.939 -1.035 -3.426 1.00 0.00 C ATOM 1087 CG TYR A 79 11.515 0.393 -3.169 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.375 1.296 -4.216 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.255 0.840 -1.879 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.989 2.603 -3.985 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.868 2.144 -1.640 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.736 3.022 -2.696 1.00 0.00 C ATOM 1093 OH TYR A 79 10.351 4.322 -2.462 1.00 0.00 O ATOM 0 H TYR A 79 9.517 -2.361 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 79 10.626 -1.599 -5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.287 -1.476 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.785 -1.036 -4.113 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.571 0.971 -5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.357 0.156 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.886 3.292 -4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.670 2.475 -0.631 1.00 0.00 H new ATOM 0 HH TYR A 79 10.077 4.739 -3.305 1.00 0.00 H new ATOM 1103 N HIS A 80 11.312 -3.957 -5.209 1.00 0.00 N ATOM 1104 CA HIS A 80 11.717 -5.350 -5.360 1.00 0.00 C ATOM 1105 C HIS A 80 13.147 -5.556 -4.869 1.00 0.00 C ATOM 1106 O HIS A 80 14.036 -4.754 -5.157 1.00 0.00 O ATOM 1107 CB HIS A 80 11.600 -5.782 -6.822 1.00 0.00 C ATOM 1108 CG HIS A 80 10.205 -5.699 -7.361 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.035 -6.165 -6.865 1.00 0.00 N flip ATOM 1110 CD2 HIS A 80 9.895 -5.079 -8.553 1.00 0.00 C flip ATOM 1111 CE1 HIS A 80 8.049 -5.820 -7.756 1.00 0.00 C flip ATOM 1112 NE2 HIS A 80 8.594 -5.165 -8.765 1.00 0.00 N flip ATOM 0 H HIS A 80 11.075 -3.490 -6.084 1.00 0.00 H new ATOM 0 HA HIS A 80 11.051 -5.964 -4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.254 -5.157 -7.430 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.958 -6.807 -6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.605 -4.598 -9.210 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.999 -6.047 -7.649 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.095 -4.789 -9.571 1.00 0.00 H new ATOM 1120 N THR A 81 13.362 -6.637 -4.125 1.00 0.00 N ATOM 1121 CA THR A 81 14.683 -6.948 -3.593 1.00 0.00 C ATOM 1122 C THR A 81 15.750 -6.845 -4.676 1.00 0.00 C ATOM 1123 O THR A 81 16.880 -6.433 -4.411 1.00 0.00 O ATOM 1124 CB THR A 81 14.724 -8.360 -2.980 1.00 0.00 C ATOM 1125 OG1 THR A 81 14.156 -9.307 -3.893 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.964 -8.401 -1.663 1.00 0.00 C ATOM 0 H THR A 81 12.638 -7.312 -3.877 1.00 0.00 H new ATOM 0 HA THR A 81 14.890 -6.216 -2.813 1.00 0.00 H new ATOM 0 HB THR A 81 15.765 -8.619 -2.789 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.187 -10.203 -3.497 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.007 -9.409 -1.249 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.416 -7.701 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.924 -8.123 -1.834 1.00 0.00 H new ATOM 1134 N PHE A 82 15.386 -7.221 -5.897 1.00 0.00 N ATOM 1135 CA PHE A 82 16.314 -7.171 -7.021 1.00 0.00 C ATOM 1136 C PHE A 82 16.394 -5.760 -7.598 1.00 0.00 C ATOM 1137 O PHE A 82 17.358 -5.409 -8.279 1.00 0.00 O ATOM 1138 CB PHE A 82 15.882 -8.155 -8.110 1.00 0.00 C ATOM 1139 CG PHE A 82 14.420 -8.075 -8.446 1.00 0.00 C ATOM 1140 CD1 PHE A 82 13.938 -7.065 -9.263 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.529 -9.010 -7.945 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.593 -6.989 -9.572 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.183 -8.939 -8.252 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.715 -7.927 -9.067 1.00 0.00 C ATOM 0 H PHE A 82 14.455 -7.564 -6.134 1.00 0.00 H new ATOM 0 HA PHE A 82 17.302 -7.453 -6.657 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.465 -7.965 -9.012 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.117 -9.169 -7.786 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.620 -6.329 -9.663 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.890 -9.803 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.229 -6.196 -10.208 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.498 -9.674 -7.855 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.664 -7.870 -9.309 1.00 0.00 H new ATOM 1154 N CYS A 83 15.373 -4.956 -7.321 1.00 0.00 N ATOM 1155 CA CYS A 83 15.325 -3.584 -7.812 1.00 0.00 C ATOM 1156 C CYS A 83 15.992 -2.629 -6.826 1.00 0.00 C ATOM 1157 O CYS A 83 15.678 -1.439 -6.788 1.00 0.00 O ATOM 1158 CB CYS A 83 13.876 -3.156 -8.053 1.00 0.00 C ATOM 1159 SG CYS A 83 13.134 -3.860 -9.560 1.00 0.00 S ATOM 0 H CYS A 83 14.568 -5.231 -6.759 1.00 0.00 H new ATOM 0 HA CYS A 83 15.870 -3.543 -8.755 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.274 -3.450 -7.193 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.835 -2.069 -8.115 1.00 0.00 H new ATOM 0 HG CYS A 83 13.287 -5.151 -9.556 1.00 0.00 H new ATOM 1164 N LEU A 84 16.913 -3.160 -6.029 1.00 0.00 N ATOM 1165 CA LEU A 84 17.625 -2.356 -5.041 1.00 0.00 C ATOM 1166 C LEU A 84 19.102 -2.231 -5.403 1.00 0.00 C ATOM 1167 O LEU A 84 19.718 -3.188 -5.870 1.00 0.00 O ATOM 1168 CB LEU A 84 17.479 -2.975 -3.650 1.00 0.00 C ATOM 1169 CG LEU A 84 16.086 -2.898 -3.024 1.00 0.00 C ATOM 1170 CD1 LEU A 84 16.064 -3.613 -1.682 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.653 -1.448 -2.865 1.00 0.00 C ATOM 0 H LEU A 84 17.184 -4.143 -6.047 1.00 0.00 H new ATOM 0 HA LEU A 84 17.186 -1.358 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.772 -4.023 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.184 -2.484 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 84 15.381 -3.396 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.065 -3.548 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.331 -4.660 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.781 -3.144 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.659 -1.412 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.360 -0.926 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.629 -0.966 -3.842 1.00 0.00 H new ATOM 1183 N GLN A 85 19.662 -1.047 -5.181 1.00 0.00 N ATOM 1184 CA GLN A 85 21.067 -0.798 -5.482 1.00 0.00 C ATOM 1185 C GLN A 85 21.823 -0.363 -4.232 1.00 0.00 C ATOM 1186 O GLN A 85 21.702 0.770 -3.766 1.00 0.00 O ATOM 1187 CB GLN A 85 21.196 0.271 -6.569 1.00 0.00 C ATOM 1188 CG GLN A 85 20.332 1.497 -6.321 1.00 0.00 C ATOM 1189 CD GLN A 85 18.922 1.334 -6.856 1.00 0.00 C ATOM 1190 OE1 GLN A 85 17.985 1.079 -6.100 1.00 0.00 O ATOM 1191 NE2 GLN A 85 18.766 1.482 -8.167 1.00 0.00 N ATOM 0 H GLN A 85 19.165 -0.245 -4.794 1.00 0.00 H new ATOM 0 HA GLN A 85 21.505 -1.728 -5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 85 22.239 0.580 -6.641 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.926 -0.166 -7.530 1.00 0.00 H new ATOM 0 HG2 GLN A 85 20.290 1.697 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 85 20.796 2.365 -6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.572 1.693 -8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 85 17.841 1.385 -8.585 1.00 0.00 H new ATOM 1200 N PRO A 86 22.623 -1.284 -3.673 1.00 0.00 N ATOM 1201 CA PRO A 86 22.775 -2.636 -4.218 1.00 0.00 C ATOM 1202 C PRO A 86 21.516 -3.478 -4.038 1.00 0.00 C ATOM 1203 O PRO A 86 20.565 -3.059 -3.379 1.00 0.00 O ATOM 1204 CB PRO A 86 23.930 -3.220 -3.401 1.00 0.00 C ATOM 1205 CG PRO A 86 23.909 -2.462 -2.119 1.00 0.00 C ATOM 1206 CD PRO A 86 23.440 -1.076 -2.466 1.00 0.00 C ATOM 0 HA PRO A 86 22.958 -2.624 -5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.794 -4.288 -3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.882 -3.098 -3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 86 23.239 -2.932 -1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.899 -2.437 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.857 -0.635 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.277 -0.405 -2.658 1.00 0.00 H new ATOM 1214 N VAL A 87 21.517 -4.669 -4.629 1.00 0.00 N ATOM 1215 CA VAL A 87 20.376 -5.571 -4.532 1.00 0.00 C ATOM 1216 C VAL A 87 20.352 -6.285 -3.185 1.00 0.00 C ATOM 1217 O VAL A 87 21.390 -6.472 -2.552 1.00 0.00 O ATOM 1218 CB VAL A 87 20.394 -6.622 -5.658 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.633 -7.870 -5.237 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.815 -6.041 -6.939 1.00 0.00 C ATOM 0 H VAL A 87 22.295 -5.031 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 87 19.480 -4.959 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 87 21.429 -6.905 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.657 -8.601 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.098 -8.297 -4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.598 -7.608 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.836 -6.797 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.786 -5.728 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.408 -5.181 -7.249 1.00 0.00 H new ATOM 1230 N MET A 88 19.159 -6.683 -2.754 1.00 0.00 N ATOM 1231 CA MET A 88 19.000 -7.379 -1.482 1.00 0.00 C ATOM 1232 C MET A 88 19.198 -8.881 -1.656 1.00 0.00 C ATOM 1233 O MET A 88 18.356 -9.566 -2.237 1.00 0.00 O ATOM 1234 CB MET A 88 17.616 -7.100 -0.894 1.00 0.00 C ATOM 1235 CG MET A 88 17.571 -5.869 -0.003 1.00 0.00 C ATOM 1236 SD MET A 88 15.977 -5.660 0.813 1.00 0.00 S ATOM 1237 CE MET A 88 16.475 -5.654 2.534 1.00 0.00 C ATOM 0 H MET A 88 18.289 -6.536 -3.266 1.00 0.00 H new ATOM 0 HA MET A 88 19.760 -7.008 -0.795 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.903 -6.975 -1.709 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.293 -7.967 -0.318 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.354 -5.943 0.752 1.00 0.00 H new ATOM 0 HG3 MET A 88 17.787 -4.984 -0.601 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.589 -5.675 3.169 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.089 -6.531 2.738 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.050 -4.752 2.743 1.00 0.00 H new ATOM 1247 N LYS A 89 20.317 -9.388 -1.149 1.00 0.00 N ATOM 1248 CA LYS A 89 20.626 -10.810 -1.247 1.00 0.00 C ATOM 1249 C LYS A 89 19.558 -11.648 -0.551 1.00 0.00 C ATOM 1250 O LYS A 89 19.278 -12.775 -0.958 1.00 0.00 O ATOM 1251 CB LYS A 89 21.997 -11.098 -0.631 1.00 0.00 C ATOM 1252 CG LYS A 89 23.151 -10.912 -1.602 1.00 0.00 C ATOM 1253 CD LYS A 89 23.546 -9.449 -1.724 1.00 0.00 C ATOM 1254 CE LYS A 89 24.232 -9.167 -3.051 1.00 0.00 C ATOM 1255 NZ LYS A 89 25.703 -9.386 -2.973 1.00 0.00 N ATOM 0 H LYS A 89 21.025 -8.835 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 89 20.644 -11.081 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 89 22.146 -10.442 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 89 22.010 -12.121 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 89 24.009 -11.495 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 89 22.869 -11.297 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.659 -8.822 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 89 24.213 -9.181 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 89 23.809 -9.811 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 89 24.033 -8.138 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 26.134 -9.183 -3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 26.111 -8.754 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 25.893 -10.374 -2.712 1.00 0.00 H new ATOM 1269 N SER A 90 18.966 -11.090 0.500 1.00 0.00 N ATOM 1270 CA SER A 90 17.931 -11.787 1.253 1.00 0.00 C ATOM 1271 C SER A 90 16.782 -10.844 1.599 1.00 0.00 C ATOM 1272 O SER A 90 16.851 -9.642 1.343 1.00 0.00 O ATOM 1273 CB SER A 90 18.517 -12.385 2.534 1.00 0.00 C ATOM 1274 OG SER A 90 19.236 -11.410 3.269 1.00 0.00 O ATOM 0 H SER A 90 19.186 -10.157 0.849 1.00 0.00 H new ATOM 0 HA SER A 90 17.543 -12.592 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.714 -12.791 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 90 19.177 -13.215 2.283 1.00 0.00 H new ATOM 0 HG SER A 90 19.599 -11.816 4.084 1.00 0.00 H new ATOM 1280 N VAL A 91 15.724 -11.399 2.182 1.00 0.00 N ATOM 1281 CA VAL A 91 14.560 -10.609 2.565 1.00 0.00 C ATOM 1282 C VAL A 91 14.475 -10.452 4.079 1.00 0.00 C ATOM 1283 O VAL A 91 14.572 -11.420 4.834 1.00 0.00 O ATOM 1284 CB VAL A 91 13.255 -11.248 2.052 1.00 0.00 C ATOM 1285 CG1 VAL A 91 12.049 -10.454 2.528 1.00 0.00 C ATOM 1286 CG2 VAL A 91 13.273 -11.349 0.534 1.00 0.00 C ATOM 0 H VAL A 91 15.649 -12.393 2.399 1.00 0.00 H new ATOM 0 HA VAL A 91 14.680 -9.627 2.108 1.00 0.00 H new ATOM 0 HB VAL A 91 13.179 -12.256 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.137 -10.920 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.030 -10.439 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.114 -9.433 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.344 -11.803 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.372 -10.352 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.116 -11.965 0.220 1.00 0.00 H new ATOM 1296 N PRO A 92 14.289 -9.205 4.535 1.00 0.00 N ATOM 1297 CA PRO A 92 14.186 -8.891 5.963 1.00 0.00 C ATOM 1298 C PRO A 92 12.893 -9.414 6.579 1.00 0.00 C ATOM 1299 O PRO A 92 11.980 -9.836 5.869 1.00 0.00 O ATOM 1300 CB PRO A 92 14.211 -7.361 5.993 1.00 0.00 C ATOM 1301 CG PRO A 92 13.702 -6.947 4.656 1.00 0.00 C ATOM 1302 CD PRO A 92 14.164 -8.004 3.691 1.00 0.00 C ATOM 0 HA PRO A 92 14.985 -9.355 6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.583 -6.971 6.794 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.219 -6.985 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.615 -6.870 4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.090 -5.967 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.446 -8.153 2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.114 -7.738 3.228 1.00 0.00 H new ATOM 1310 N THR A 93 12.821 -9.384 7.907 1.00 0.00 N ATOM 1311 CA THR A 93 11.640 -9.856 8.619 1.00 0.00 C ATOM 1312 C THR A 93 11.232 -8.878 9.715 1.00 0.00 C ATOM 1313 O THR A 93 10.046 -8.687 9.979 1.00 0.00 O ATOM 1314 CB THR A 93 11.879 -11.243 9.246 1.00 0.00 C ATOM 1315 OG1 THR A 93 12.428 -12.134 8.269 1.00 0.00 O ATOM 1316 CG2 THR A 93 10.582 -11.819 9.794 1.00 0.00 C ATOM 0 H THR A 93 13.567 -9.038 8.510 1.00 0.00 H new ATOM 0 HA THR A 93 10.837 -9.931 7.886 1.00 0.00 H new ATOM 0 HB THR A 93 12.584 -11.129 10.069 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.578 -13.013 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.775 -12.798 10.232 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.182 -11.152 10.558 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.858 -11.919 8.985 1.00 0.00 H new ATOM 1324 N ASN A 94 12.224 -8.262 10.351 1.00 0.00 N ATOM 1325 CA ASN A 94 11.967 -7.304 11.420 1.00 0.00 C ATOM 1326 C ASN A 94 11.742 -5.905 10.854 1.00 0.00 C ATOM 1327 O ASN A 94 12.676 -5.113 10.736 1.00 0.00 O ATOM 1328 CB ASN A 94 13.136 -7.284 12.407 1.00 0.00 C ATOM 1329 CG ASN A 94 14.474 -7.490 11.723 1.00 0.00 C ATOM 1330 OD1 ASN A 94 14.878 -8.622 11.454 1.00 0.00 O ATOM 1331 ND2 ASN A 94 15.168 -6.395 11.440 1.00 0.00 N ATOM 0 H ASN A 94 13.212 -8.409 10.145 1.00 0.00 H new ATOM 0 HA ASN A 94 11.063 -7.615 11.943 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.145 -6.331 12.936 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.990 -8.063 13.155 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.076 -6.471 10.981 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.794 -5.477 11.681 1.00 0.00 H new ATOM 1338 N GLY A 95 10.494 -5.608 10.504 1.00 0.00 N ATOM 1339 CA GLY A 95 10.168 -4.305 9.955 1.00 0.00 C ATOM 1340 C GLY A 95 11.307 -3.714 9.148 1.00 0.00 C ATOM 1341 O GLY A 95 12.172 -3.029 9.694 1.00 0.00 O ATOM 0 H GLY A 95 9.703 -6.246 10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.285 -4.392 9.322 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.912 -3.625 10.768 1.00 0.00 H new ATOM 1345 N TRP A 96 11.308 -3.980 7.847 1.00 0.00 N ATOM 1346 CA TRP A 96 12.351 -3.470 6.964 1.00 0.00 C ATOM 1347 C TRP A 96 12.270 -1.953 6.845 1.00 0.00 C ATOM 1348 O TRP A 96 11.183 -1.375 6.862 1.00 0.00 O ATOM 1349 CB TRP A 96 12.234 -4.110 5.580 1.00 0.00 C ATOM 1350 CG TRP A 96 13.168 -3.516 4.569 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.522 -3.679 4.510 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.816 -2.661 3.476 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.034 -2.977 3.444 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.007 -2.345 2.794 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.610 -2.135 3.005 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.025 -1.526 1.668 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.630 -1.321 1.888 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.830 -1.024 1.229 1.00 0.00 C ATOM 0 H TRP A 96 10.599 -4.545 7.380 1.00 0.00 H new ATOM 0 HA TRP A 96 13.317 -3.730 7.396 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.433 -5.178 5.664 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.209 -4.003 5.224 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.105 -4.272 5.199 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.018 -2.934 3.180 1.00 0.00 H new ATOM 0 HE3 TRP A 96 10.679 -2.360 3.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.949 -1.295 1.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.704 -0.907 1.517 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.812 -0.386 0.357 1.00 0.00 H new ATOM 1369 N LYS A 97 13.427 -1.310 6.724 1.00 0.00 N ATOM 1370 CA LYS A 97 13.488 0.141 6.600 1.00 0.00 C ATOM 1371 C LYS A 97 14.214 0.548 5.322 1.00 0.00 C ATOM 1372 O LYS A 97 15.393 0.243 5.141 1.00 0.00 O ATOM 1373 CB LYS A 97 14.193 0.749 7.815 1.00 0.00 C ATOM 1374 CG LYS A 97 13.692 2.136 8.178 1.00 0.00 C ATOM 1375 CD LYS A 97 14.589 2.801 9.208 1.00 0.00 C ATOM 1376 CE LYS A 97 14.315 2.275 10.609 1.00 0.00 C ATOM 1377 NZ LYS A 97 12.992 2.728 11.122 1.00 0.00 N ATOM 0 H LYS A 97 14.336 -1.772 6.709 1.00 0.00 H new ATOM 0 HA LYS A 97 12.467 0.519 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.059 0.088 8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.263 0.799 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.646 2.754 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.677 2.066 8.569 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.633 2.625 8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.432 3.879 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.348 1.186 10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.101 2.613 11.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.965 2.619 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.848 3.728 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.238 2.153 10.694 1.00 0.00 H new ATOM 1391 N CYS A 98 13.503 1.241 4.438 1.00 0.00 N ATOM 1392 CA CYS A 98 14.080 1.691 3.177 1.00 0.00 C ATOM 1393 C CYS A 98 15.062 2.836 3.406 1.00 0.00 C ATOM 1394 O CYS A 98 15.117 3.415 4.491 1.00 0.00 O ATOM 1395 CB CYS A 98 12.975 2.137 2.217 1.00 0.00 C ATOM 1396 SG CYS A 98 12.417 3.853 2.471 1.00 0.00 S ATOM 0 H CYS A 98 12.526 1.503 4.572 1.00 0.00 H new ATOM 0 HA CYS A 98 14.621 0.854 2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.333 2.031 1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.121 1.469 2.327 1.00 0.00 H new ATOM 0 HG CYS A 98 11.118 3.895 2.445 1.00 0.00 H new ATOM 1401 N LYS A 99 15.837 3.158 2.376 1.00 0.00 N ATOM 1402 CA LYS A 99 16.817 4.234 2.462 1.00 0.00 C ATOM 1403 C LYS A 99 16.135 5.571 2.734 1.00 0.00 C ATOM 1404 O LYS A 99 16.362 6.195 3.770 1.00 0.00 O ATOM 1405 CB LYS A 99 17.629 4.318 1.167 1.00 0.00 C ATOM 1406 CG LYS A 99 18.698 5.397 1.188 1.00 0.00 C ATOM 1407 CD LYS A 99 20.013 4.868 1.737 1.00 0.00 C ATOM 1408 CE LYS A 99 21.090 5.942 1.735 1.00 0.00 C ATOM 1409 NZ LYS A 99 21.489 6.324 0.352 1.00 0.00 N ATOM 0 H LYS A 99 15.805 2.689 1.471 1.00 0.00 H new ATOM 0 HA LYS A 99 17.489 4.013 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.102 3.354 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.951 4.506 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.851 5.778 0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.359 6.235 1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.864 4.503 2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.343 4.019 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.726 6.823 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 99 21.963 5.582 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.335 6.928 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.699 5.467 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.712 6.845 -0.102 1.00 0.00 H new ATOM 1423 N ASN A 100 15.297 6.004 1.798 1.00 0.00 N ATOM 1424 CA ASN A 100 14.581 7.267 1.938 1.00 0.00 C ATOM 1425 C ASN A 100 14.127 7.478 3.379 1.00 0.00 C ATOM 1426 O ASN A 100 13.934 8.611 3.822 1.00 0.00 O ATOM 1427 CB ASN A 100 13.372 7.298 1.001 1.00 0.00 C ATOM 1428 CG ASN A 100 12.518 8.536 1.199 1.00 0.00 C ATOM 1429 OD1 ASN A 100 11.692 8.525 2.239 1.00 0.00 O flip ATOM 1430 ND2 ASN A 100 12.601 9.490 0.426 1.00 0.00 N flip ATOM 0 H ASN A 100 15.097 5.499 0.935 1.00 0.00 H new ATOM 0 HA ASN A 100 15.262 8.074 1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.716 7.259 -0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.763 6.409 1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.250 9.454 -0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.021 10.316 0.571 1.00 0.00 H new ATOM 1437 N CYS A 101 13.959 6.379 4.108 1.00 0.00 N ATOM 1438 CA CYS A 101 13.528 6.442 5.499 1.00 0.00 C ATOM 1439 C CYS A 101 14.729 6.440 6.441 1.00 0.00 C ATOM 1440 O CYS A 101 14.727 7.120 7.468 1.00 0.00 O ATOM 1441 CB CYS A 101 12.609 5.263 5.824 1.00 0.00 C ATOM 1442 SG CYS A 101 10.874 5.515 5.331 1.00 0.00 S ATOM 0 H CYS A 101 14.115 5.434 3.758 1.00 0.00 H new ATOM 0 HA CYS A 101 12.978 7.372 5.641 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.991 4.371 5.327 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.647 5.072 6.896 1.00 0.00 H new ATOM 0 HG CYS A 101 10.328 4.366 5.061 1.00 0.00 H new ATOM 1447 N ARG A 102 15.753 5.672 6.084 1.00 0.00 N ATOM 1448 CA ARG A 102 16.960 5.580 6.896 1.00 0.00 C ATOM 1449 C ARG A 102 17.466 6.969 7.276 1.00 0.00 C ATOM 1450 O ARG A 102 18.155 7.135 8.283 1.00 0.00 O ATOM 1451 CB ARG A 102 18.051 4.817 6.143 1.00 0.00 C ATOM 1452 CG ARG A 102 18.824 5.675 5.156 1.00 0.00 C ATOM 1453 CD ARG A 102 20.284 5.257 5.079 1.00 0.00 C ATOM 1454 NE ARG A 102 21.058 5.756 6.212 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.490 7.009 6.311 1.00 0.00 C ATOM 1456 NH1 ARG A 102 21.226 7.883 5.351 1.00 0.00 N ATOM 1457 NH2 ARG A 102 22.189 7.388 7.374 1.00 0.00 N ATOM 0 H ARG A 102 15.771 5.104 5.237 1.00 0.00 H new ATOM 0 HA ARG A 102 16.713 5.039 7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.748 4.391 6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.596 3.983 5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.369 5.595 4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 102 18.759 6.722 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.348 4.169 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 102 20.719 5.629 4.151 1.00 0.00 H new ATOM 0 HE ARG A 102 21.279 5.108 6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.690 7.595 4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.559 8.844 5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.395 6.718 8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 102 22.521 8.350 7.450 1.00 0.00 H new ATOM 1471 N ILE A 103 17.120 7.962 6.464 1.00 0.00 N ATOM 1472 CA ILE A 103 17.539 9.335 6.716 1.00 0.00 C ATOM 1473 C ILE A 103 17.263 9.738 8.161 1.00 0.00 C ATOM 1474 O ILE A 103 16.305 9.266 8.775 1.00 0.00 O ATOM 1475 CB ILE A 103 16.825 10.323 5.774 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.475 10.301 4.389 1.00 0.00 C ATOM 1477 CG2 ILE A 103 16.856 11.727 6.358 1.00 0.00 C ATOM 1478 CD1 ILE A 103 16.811 9.343 3.425 1.00 0.00 C ATOM 0 H ILE A 103 16.551 7.841 5.626 1.00 0.00 H new ATOM 0 HA ILE A 103 18.612 9.377 6.528 1.00 0.00 H new ATOM 0 HB ILE A 103 15.784 10.017 5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 103 17.447 11.306 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 103 18.525 10.029 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 103 16.348 12.414 5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 103 16.352 11.730 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 103 17.891 12.044 6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 103 17.324 9.380 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 103 16.862 8.330 3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.767 9.627 3.290 1.00 0.00 H new