USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 538 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 THR OG1 : rot 1:sc= -0.364 USER MOD Set 1.2: A 102 LYS NZ :NH3+ -140:sc= 0.869 (180deg=0.314) USER MOD Set 2.1: A 74 CYS SG : rot 100:sc= 0.781 USER MOD Set 2.2: A 76 CYS SG : rot 49:sc= -0.774 USER MOD Set 2.3: A 81 CYS SG : rot -150:sc= 0 USER MOD Set 2.4: A 83 CYS SG : rot -81:sc= 0.624 USER MOD Set 2.5: A 87 CYS SG : rot 121:sc= 1.25 USER MOD Set 2.6: A 99 CYS SG : rot 180:sc= 0 USER MOD Set 2.7: A 101 CYS SG : rot 130:sc= -1.25 USER MOD Set 3.1: A 52 CYS SG : rot 180:sc= -0.0517 USER MOD Set 3.2: A 67 CYS SG : rot 180:sc= 0.767 USER MOD Set 3.3: A 69 SER OG : rot 91:sc= 0.207 USER MOD Set 4.1: A 44 THR OG1 : rot 180:sc= 0.0509 USER MOD Set 4.2: A 54 CYS SG : rot -154:sc= -5.21! USER MOD Set 5.1: A 43 CYS SG : rot 180:sc= 0.122 USER MOD Set 5.2: A 48 LYS NZ :NH3+ -173:sc= -1.03 (180deg=-1.41) USER MOD Set 6.1: A 47 CYS SG : rot 180:sc= 0 USER MOD Set 6.2: A 61 CYS SG : rot 180:sc= 0.196 USER MOD Set 7.1: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 7.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 12 THR OG1 : rot 120:sc= 0.0294 USER MOD Set 8.2: A 27 ASN : amide:sc= 0 X(o=0.029,f=-0.3) USER MOD Set 9.1: A 15 CYS SG : rot -31:sc= 0.115 USER MOD Set 9.2: A 20 CYS SG : rot 19:sc= -0.438 USER MOD Set 9.3: A 22 CYS SG : rot 180:sc= -0.345 USER MOD Set 9.4: A 28 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 11 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0225 (180deg=-0.248) USER MOD Single : A 17 GLN : amide:sc= 0.235 X(o=0.23,f=-0.03) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0955 USER MOD Single : A 24 SER OG : rot -41:sc= 0.488 USER MOD Single : A 26 CYS SG : rot 180:sc= -0.456 USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0472 (180deg=-0.315) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.492 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.251 F(o=-1.3,f=-0.25) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.184 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00313) USER MOD Single : A 49 GLN : amide:sc= -0.764 K(o=-0.76,f=-5!) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00156 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -90:sc= -1.07 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 62 THR OG1 : rot -150:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= -0.081 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 70 CYS SG : rot 180:sc= 0.065 USER MOD Single : A 71 SER OG : rot 144:sc= 1.3 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= -0.0897 (180deg=-0.467) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= 0.436 (180deg=-0.794!) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.114) USER MOD Single : A 88 THR OG1 : rot 23:sc= 0.699 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot -72:sc= -0.362 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 140:sc= -0.343 USER MOD Single : A 98 SER OG : rot -36:sc= 0.0607 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N GLY A 8 0.572 -6.674 -20.028 1.00 0.00 N ATOM 94 CA GLY A 8 -0.844 -6.991 -20.123 1.00 0.00 C ATOM 95 C GLY A 8 -1.724 -5.980 -19.422 1.00 0.00 C ATOM 96 O GLY A 8 -2.547 -5.323 -20.051 1.00 0.00 O ATOM 0 HA2 GLY A 8 -1.129 -7.046 -21.174 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.020 -7.977 -19.693 1.00 0.00 H new ATOM 100 N ALA A 9 -1.516 -5.839 -18.130 1.00 0.00 N ATOM 101 CA ALA A 9 -2.316 -4.948 -17.288 1.00 0.00 C ATOM 102 C ALA A 9 -2.102 -3.469 -17.624 1.00 0.00 C ATOM 103 O ALA A 9 -2.902 -2.618 -17.239 1.00 0.00 O ATOM 104 CB ALA A 9 -2.024 -5.208 -15.818 1.00 0.00 C ATOM 0 H ALA A 9 -0.785 -6.338 -17.623 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.363 -5.170 -17.493 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.626 -4.538 -15.204 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.270 -6.242 -15.576 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.967 -5.030 -15.620 1.00 0.00 H new ATOM 110 N GLY A 10 -1.029 -3.162 -18.345 1.00 0.00 N ATOM 111 CA GLY A 10 -0.771 -1.780 -18.721 1.00 0.00 C ATOM 112 C GLY A 10 -1.515 -1.413 -19.985 1.00 0.00 C ATOM 113 O GLY A 10 -0.930 -0.908 -20.942 1.00 0.00 O ATOM 0 H GLY A 10 -0.338 -3.836 -18.674 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.074 -1.117 -17.911 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.299 -1.634 -18.869 1.00 0.00 H new ATOM 117 N CYS A 11 -2.804 -1.668 -19.983 1.00 0.00 N ATOM 118 CA CYS A 11 -3.629 -1.459 -21.147 1.00 0.00 C ATOM 119 C CYS A 11 -4.029 0.016 -21.305 1.00 0.00 C ATOM 120 O CYS A 11 -3.529 0.885 -20.591 1.00 0.00 O ATOM 121 CB CYS A 11 -4.860 -2.350 -21.065 1.00 0.00 C ATOM 122 SG CYS A 11 -5.377 -3.012 -22.655 1.00 0.00 S ATOM 0 H CYS A 11 -3.309 -2.027 -19.172 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.050 -1.727 -22.031 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.655 -3.177 -20.386 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.683 -1.780 -20.633 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.428 -3.759 -22.493 1.00 0.00 H new ATOM 127 N THR A 12 -4.932 0.282 -22.239 1.00 0.00 N ATOM 128 CA THR A 12 -5.361 1.640 -22.536 1.00 0.00 C ATOM 129 C THR A 12 -6.889 1.736 -22.552 1.00 0.00 C ATOM 130 O THR A 12 -7.581 0.744 -22.821 1.00 0.00 O ATOM 131 CB THR A 12 -4.792 2.105 -23.913 1.00 0.00 C ATOM 132 OG1 THR A 12 -5.230 3.432 -24.228 1.00 0.00 O ATOM 133 CG2 THR A 12 -5.224 1.164 -25.027 1.00 0.00 C ATOM 0 H THR A 12 -5.385 -0.433 -22.808 1.00 0.00 H new ATOM 0 HA THR A 12 -4.976 2.292 -21.752 1.00 0.00 H new ATOM 0 HB THR A 12 -3.705 2.094 -23.833 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.451 4.018 -24.328 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.814 1.511 -25.976 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.856 0.160 -24.818 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.312 1.146 -25.087 1.00 0.00 H new ATOM 141 N ASP A 13 -7.410 2.922 -22.260 1.00 0.00 N ATOM 142 CA ASP A 13 -8.853 3.153 -22.266 1.00 0.00 C ATOM 143 C ASP A 13 -9.367 3.250 -23.700 1.00 0.00 C ATOM 144 O ASP A 13 -10.540 2.993 -23.973 1.00 0.00 O ATOM 145 CB ASP A 13 -9.212 4.423 -21.484 1.00 0.00 C ATOM 146 CG ASP A 13 -8.819 5.694 -22.206 1.00 0.00 C ATOM 147 OD1 ASP A 13 -7.629 6.063 -22.166 1.00 0.00 O ATOM 148 OD2 ASP A 13 -9.701 6.336 -22.810 1.00 0.00 O ATOM 0 H ASP A 13 -6.855 3.742 -22.015 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.334 2.307 -21.775 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.286 4.436 -21.296 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.719 4.396 -20.512 1.00 0.00 H new ATOM 153 N THR A 14 -8.467 3.595 -24.622 1.00 0.00 N ATOM 154 CA THR A 14 -8.796 3.683 -26.047 1.00 0.00 C ATOM 155 C THR A 14 -9.168 2.294 -26.585 1.00 0.00 C ATOM 156 O THR A 14 -9.778 2.149 -27.651 1.00 0.00 O ATOM 157 CB THR A 14 -7.590 4.246 -26.842 1.00 0.00 C ATOM 158 OG1 THR A 14 -7.180 5.497 -26.267 1.00 0.00 O ATOM 159 CG2 THR A 14 -7.941 4.452 -28.310 1.00 0.00 C ATOM 0 H THR A 14 -7.496 3.820 -24.405 1.00 0.00 H new ATOM 0 HA THR A 14 -9.645 4.355 -26.169 1.00 0.00 H new ATOM 0 HB THR A 14 -6.777 3.523 -26.785 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.417 5.853 -26.768 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.074 4.848 -28.839 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.232 3.499 -28.752 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.768 5.157 -28.391 1.00 0.00 H new ATOM 167 N CYS A 15 -8.826 1.294 -25.811 1.00 0.00 N ATOM 168 CA CYS A 15 -9.070 -0.081 -26.155 1.00 0.00 C ATOM 169 C CYS A 15 -10.470 -0.515 -25.707 1.00 0.00 C ATOM 170 O CYS A 15 -10.929 -1.602 -26.023 1.00 0.00 O ATOM 171 CB CYS A 15 -8.026 -0.929 -25.472 1.00 0.00 C ATOM 172 SG CYS A 15 -8.040 -2.642 -25.946 1.00 0.00 S ATOM 0 H CYS A 15 -8.363 1.417 -24.910 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.013 -0.203 -27.237 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -7.041 -0.514 -25.687 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.171 -0.863 -24.394 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.254 -3.001 -26.240 1.00 0.00 H new ATOM 177 N LYS A 16 -11.141 0.346 -24.975 1.00 0.00 N ATOM 178 CA LYS A 16 -12.469 0.036 -24.472 1.00 0.00 C ATOM 179 C LYS A 16 -13.529 0.684 -25.343 1.00 0.00 C ATOM 180 O LYS A 16 -14.698 0.781 -24.958 1.00 0.00 O ATOM 181 CB LYS A 16 -12.597 0.513 -23.031 1.00 0.00 C ATOM 182 CG LYS A 16 -11.560 -0.100 -22.108 1.00 0.00 C ATOM 183 CD LYS A 16 -11.538 0.579 -20.756 1.00 0.00 C ATOM 184 CE LYS A 16 -12.774 0.257 -19.933 1.00 0.00 C ATOM 185 NZ LYS A 16 -12.829 -1.177 -19.562 1.00 0.00 N ATOM 0 H LYS A 16 -10.792 1.268 -24.712 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.617 -1.043 -24.501 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.503 1.599 -23.004 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.593 0.270 -22.661 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.771 -1.161 -21.978 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.575 -0.025 -22.568 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.648 0.268 -20.209 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.466 1.658 -20.894 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.778 0.867 -19.030 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.667 0.521 -20.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.504 -1.308 -18.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.136 -1.736 -20.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.885 -1.494 -19.261 1.00 0.00 H new ATOM 199 N GLN A 17 -13.121 1.112 -26.525 1.00 0.00 N ATOM 200 CA GLN A 17 -14.027 1.764 -27.452 1.00 0.00 C ATOM 201 C GLN A 17 -14.626 0.740 -28.386 1.00 0.00 C ATOM 202 O GLN A 17 -14.162 -0.399 -28.452 1.00 0.00 O ATOM 203 CB GLN A 17 -13.305 2.818 -28.297 1.00 0.00 C ATOM 204 CG GLN A 17 -12.466 3.825 -27.525 1.00 0.00 C ATOM 205 CD GLN A 17 -13.197 4.458 -26.364 1.00 0.00 C ATOM 206 OE1 GLN A 17 -13.942 5.422 -26.534 1.00 0.00 O ATOM 207 NE2 GLN A 17 -12.947 3.966 -25.176 1.00 0.00 N ATOM 0 H GLN A 17 -12.164 1.019 -26.866 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.803 2.252 -26.862 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.659 2.305 -29.009 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.049 3.363 -28.878 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.570 3.329 -27.152 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.136 4.609 -28.207 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.323 3.165 -25.077 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.376 4.384 -24.350 1.00 0.00 H new ATOM 216 N THR A 18 -15.655 1.134 -29.097 1.00 0.00 N ATOM 217 CA THR A 18 -16.266 0.277 -30.077 1.00 0.00 C ATOM 218 C THR A 18 -16.862 1.110 -31.213 1.00 0.00 C ATOM 219 O THR A 18 -17.878 1.782 -31.035 1.00 0.00 O ATOM 220 CB THR A 18 -17.354 -0.613 -29.470 1.00 0.00 C ATOM 221 OG1 THR A 18 -17.159 -0.726 -28.050 1.00 0.00 O ATOM 222 CG2 THR A 18 -17.269 -1.989 -30.077 1.00 0.00 C ATOM 0 H THR A 18 -16.089 2.053 -29.011 1.00 0.00 H new ATOM 0 HA THR A 18 -15.482 -0.372 -30.466 1.00 0.00 H new ATOM 0 HB THR A 18 -18.329 -0.169 -29.673 1.00 0.00 H new ATOM 0 HG1 THR A 18 -17.859 -1.295 -27.668 1.00 0.00 H new ATOM 0 HG21 THR A 18 -18.043 -2.625 -29.647 1.00 0.00 H new ATOM 0 HG22 THR A 18 -17.414 -1.921 -31.155 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.289 -2.419 -29.869 1.00 0.00 H new ATOM 230 N PRO A 19 -16.229 1.083 -32.398 1.00 0.00 N ATOM 231 CA PRO A 19 -15.006 0.283 -32.632 1.00 0.00 C ATOM 232 C PRO A 19 -13.779 0.794 -31.837 1.00 0.00 C ATOM 233 O PRO A 19 -13.713 1.971 -31.475 1.00 0.00 O ATOM 234 CB PRO A 19 -14.766 0.428 -34.138 1.00 0.00 C ATOM 235 CG PRO A 19 -15.474 1.691 -34.534 1.00 0.00 C ATOM 236 CD PRO A 19 -16.661 1.825 -33.615 1.00 0.00 C ATOM 0 HA PRO A 19 -15.137 -0.747 -32.299 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.701 0.488 -34.362 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.159 -0.430 -34.683 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.812 2.552 -34.440 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.793 1.646 -35.575 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.884 2.869 -33.393 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.561 1.393 -34.053 1.00 0.00 H new ATOM 244 N CYS A 20 -12.823 -0.116 -31.550 1.00 0.00 N ATOM 245 CA CYS A 20 -11.600 0.246 -30.815 1.00 0.00 C ATOM 246 C CYS A 20 -10.838 1.340 -31.550 1.00 0.00 C ATOM 247 O CYS A 20 -10.700 1.298 -32.772 1.00 0.00 O ATOM 248 CB CYS A 20 -10.689 -0.981 -30.598 1.00 0.00 C ATOM 249 SG CYS A 20 -10.927 -1.850 -29.015 1.00 0.00 S ATOM 0 H CYS A 20 -12.877 -1.099 -31.816 1.00 0.00 H new ATOM 0 HA CYS A 20 -11.902 0.621 -29.837 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -10.857 -1.687 -31.411 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.650 -0.659 -30.665 1.00 0.00 H new ATOM 0 HG CYS A 20 -12.079 -1.523 -28.510 1.00 0.00 H new ATOM 254 N GLY A 21 -10.328 2.304 -30.799 1.00 0.00 N ATOM 255 CA GLY A 21 -9.643 3.428 -31.404 1.00 0.00 C ATOM 256 C GLY A 21 -8.173 3.173 -31.657 1.00 0.00 C ATOM 257 O GLY A 21 -7.443 4.083 -32.036 1.00 0.00 O ATOM 0 H GLY A 21 -10.376 2.329 -29.780 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -10.129 3.674 -32.348 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.747 4.298 -30.756 1.00 0.00 H new ATOM 261 N CYS A 22 -7.729 1.948 -31.438 1.00 0.00 N ATOM 262 CA CYS A 22 -6.333 1.609 -31.671 1.00 0.00 C ATOM 263 C CYS A 22 -6.029 1.519 -33.162 1.00 0.00 C ATOM 264 O CYS A 22 -5.177 2.242 -33.679 1.00 0.00 O ATOM 265 CB CYS A 22 -5.969 0.289 -31.005 1.00 0.00 C ATOM 266 SG CYS A 22 -5.898 0.352 -29.217 1.00 0.00 S ATOM 0 H CYS A 22 -8.307 1.177 -31.103 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.733 2.407 -31.233 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.698 -0.465 -31.300 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.001 -0.039 -31.383 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.583 -0.821 -28.754 1.00 0.00 H new ATOM 271 N GLY A 23 -6.730 0.620 -33.845 1.00 0.00 N ATOM 272 CA GLY A 23 -6.513 0.425 -35.264 1.00 0.00 C ATOM 273 C GLY A 23 -5.122 -0.102 -35.564 1.00 0.00 C ATOM 274 O GLY A 23 -4.818 -1.268 -35.301 1.00 0.00 O ATOM 0 H GLY A 23 -7.448 0.021 -33.437 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.255 -0.273 -35.651 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.662 1.370 -35.786 1.00 0.00 H new ATOM 278 N SER A 24 -4.274 0.762 -36.088 1.00 0.00 N ATOM 279 CA SER A 24 -2.918 0.389 -36.440 1.00 0.00 C ATOM 280 C SER A 24 -1.929 0.912 -35.391 1.00 0.00 C ATOM 281 O SER A 24 -0.713 0.890 -35.599 1.00 0.00 O ATOM 282 CB SER A 24 -2.573 0.942 -37.830 1.00 0.00 C ATOM 283 OG SER A 24 -1.326 0.444 -38.300 1.00 0.00 O ATOM 0 H SER A 24 -4.504 1.737 -36.281 1.00 0.00 H new ATOM 0 HA SER A 24 -2.843 -0.698 -36.464 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.361 0.674 -38.534 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.538 2.031 -37.790 1.00 0.00 H new ATOM 0 HG SER A 24 -0.679 0.435 -37.564 1.00 0.00 H new ATOM 289 N GLY A 25 -2.459 1.378 -34.271 1.00 0.00 N ATOM 290 CA GLY A 25 -1.625 1.895 -33.214 1.00 0.00 C ATOM 291 C GLY A 25 -2.184 1.566 -31.857 1.00 0.00 C ATOM 292 O GLY A 25 -3.076 2.254 -31.361 1.00 0.00 O ATOM 0 H GLY A 25 -3.460 1.406 -34.077 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.621 1.479 -33.305 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.533 2.976 -33.318 1.00 0.00 H new ATOM 296 N CYS A 26 -1.673 0.521 -31.256 1.00 0.00 N ATOM 297 CA CYS A 26 -2.158 0.079 -29.970 1.00 0.00 C ATOM 298 C CYS A 26 -1.362 0.689 -28.837 1.00 0.00 C ATOM 299 O CYS A 26 -0.125 0.713 -28.862 1.00 0.00 O ATOM 300 CB CYS A 26 -2.101 -1.433 -29.888 1.00 0.00 C ATOM 301 SG CYS A 26 -2.995 -2.263 -31.210 1.00 0.00 S ATOM 0 H CYS A 26 -0.915 -0.044 -31.639 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.191 0.410 -29.869 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.058 -1.750 -29.911 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.510 -1.752 -28.929 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.891 -3.550 -31.062 1.00 0.00 H new ATOM 306 N ASN A 27 -2.071 1.195 -27.852 1.00 0.00 N ATOM 307 CA ASN A 27 -1.439 1.771 -26.675 1.00 0.00 C ATOM 308 C ASN A 27 -1.366 0.717 -25.587 1.00 0.00 C ATOM 309 O ASN A 27 -0.734 0.910 -24.547 1.00 0.00 O ATOM 310 CB ASN A 27 -2.233 2.977 -26.162 1.00 0.00 C ATOM 311 CG ASN A 27 -2.522 4.012 -27.230 1.00 0.00 C ATOM 312 OD1 ASN A 27 -1.761 4.177 -28.186 1.00 0.00 O ATOM 313 ND2 ASN A 27 -3.623 4.715 -27.072 1.00 0.00 N ATOM 0 H ASN A 27 -3.091 1.221 -27.839 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.438 2.107 -26.944 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.176 2.628 -25.741 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.678 3.449 -25.351 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.875 5.429 -27.756 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.225 4.546 -26.266 1.00 0.00 H new ATOM 320 N CYS A 28 -2.028 -0.400 -25.840 1.00 0.00 N ATOM 321 CA CYS A 28 -2.074 -1.504 -24.910 1.00 0.00 C ATOM 322 C CYS A 28 -0.876 -2.419 -25.100 1.00 0.00 C ATOM 323 O CYS A 28 -0.101 -2.255 -26.045 1.00 0.00 O ATOM 324 CB CYS A 28 -3.372 -2.287 -25.103 1.00 0.00 C ATOM 325 SG CYS A 28 -3.754 -2.701 -26.827 1.00 0.00 S ATOM 0 H CYS A 28 -2.549 -0.562 -26.702 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.041 -1.107 -23.895 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.314 -3.210 -24.526 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.197 -1.705 -24.691 1.00 0.00 H new ATOM 0 HG CYS A 28 -4.871 -3.365 -26.877 1.00 0.00 H new ATOM 330 N LYS A 29 -0.720 -3.376 -24.200 1.00 0.00 N ATOM 331 CA LYS A 29 0.373 -4.319 -24.291 1.00 0.00 C ATOM 332 C LYS A 29 0.092 -5.382 -25.328 1.00 0.00 C ATOM 333 O LYS A 29 -1.023 -5.509 -25.832 1.00 0.00 O ATOM 334 CB LYS A 29 0.663 -4.986 -22.941 1.00 0.00 C ATOM 335 CG LYS A 29 1.684 -4.252 -22.081 1.00 0.00 C ATOM 336 CD LYS A 29 1.193 -2.900 -21.643 1.00 0.00 C ATOM 337 CE LYS A 29 2.321 -2.068 -21.081 1.00 0.00 C ATOM 338 NZ LYS A 29 3.265 -1.632 -22.141 1.00 0.00 N ATOM 0 H LYS A 29 -1.338 -3.517 -23.401 1.00 0.00 H new ATOM 0 HA LYS A 29 1.253 -3.750 -24.592 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.270 -5.070 -22.383 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.020 -6.000 -23.120 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.916 -4.854 -21.203 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.611 -4.135 -22.642 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.741 -2.382 -22.489 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.414 -3.019 -20.890 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.911 -1.193 -20.577 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.859 -2.646 -20.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.823 -0.824 -21.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.904 -2.417 -22.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.730 -1.349 -22.987 1.00 0.00 H new ATOM 352 N GLU A 30 1.102 -6.155 -25.611 1.00 0.00 N ATOM 353 CA GLU A 30 1.020 -7.229 -26.593 1.00 0.00 C ATOM 354 C GLU A 30 0.315 -8.439 -26.001 1.00 0.00 C ATOM 355 O GLU A 30 -0.119 -9.336 -26.718 1.00 0.00 O ATOM 356 CB GLU A 30 2.414 -7.623 -27.014 1.00 0.00 C ATOM 357 CG GLU A 30 3.310 -7.944 -25.836 1.00 0.00 C ATOM 358 CD GLU A 30 4.632 -8.488 -26.254 1.00 0.00 C ATOM 359 OE1 GLU A 30 4.827 -9.715 -26.145 1.00 0.00 O ATOM 360 OE2 GLU A 30 5.487 -7.703 -26.706 1.00 0.00 O ATOM 0 H GLU A 30 2.018 -6.067 -25.170 1.00 0.00 H new ATOM 0 HA GLU A 30 0.452 -6.877 -27.454 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.359 -8.491 -27.671 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.857 -6.813 -27.593 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.463 -7.042 -25.244 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.811 -8.667 -25.191 1.00 0.00 H new ATOM 367 N ASP A 31 0.213 -8.445 -24.685 1.00 0.00 N ATOM 368 CA ASP A 31 -0.410 -9.534 -23.941 1.00 0.00 C ATOM 369 C ASP A 31 -1.923 -9.500 -24.101 1.00 0.00 C ATOM 370 O ASP A 31 -2.629 -10.399 -23.643 1.00 0.00 O ATOM 371 CB ASP A 31 -0.041 -9.414 -22.458 1.00 0.00 C ATOM 372 CG ASP A 31 1.452 -9.417 -22.232 1.00 0.00 C ATOM 373 OD1 ASP A 31 2.052 -8.322 -22.224 1.00 0.00 O ATOM 374 OD2 ASP A 31 2.040 -10.515 -22.072 1.00 0.00 O ATOM 0 H ASP A 31 0.562 -7.690 -24.094 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.045 -10.482 -24.335 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.464 -8.494 -22.055 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.490 -10.240 -21.907 1.00 0.00 H new ATOM 379 N CYS A 32 -2.406 -8.465 -24.758 1.00 0.00 N ATOM 380 CA CYS A 32 -3.823 -8.279 -24.964 1.00 0.00 C ATOM 381 C CYS A 32 -4.330 -9.183 -26.094 1.00 0.00 C ATOM 382 O CYS A 32 -3.686 -9.311 -27.140 1.00 0.00 O ATOM 383 CB CYS A 32 -4.102 -6.811 -25.284 1.00 0.00 C ATOM 384 SG CYS A 32 -5.839 -6.357 -25.218 1.00 0.00 S ATOM 0 H CYS A 32 -1.825 -7.731 -25.163 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.354 -8.554 -24.053 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.549 -6.187 -24.582 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.718 -6.589 -26.280 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.969 -5.095 -25.502 1.00 0.00 H new ATOM 389 N ARG A 33 -5.473 -9.812 -25.876 1.00 0.00 N ATOM 390 CA ARG A 33 -6.062 -10.705 -26.860 1.00 0.00 C ATOM 391 C ARG A 33 -7.341 -10.081 -27.412 1.00 0.00 C ATOM 392 O ARG A 33 -8.431 -10.643 -27.294 1.00 0.00 O ATOM 393 CB ARG A 33 -6.338 -12.084 -26.227 1.00 0.00 C ATOM 394 CG ARG A 33 -6.192 -13.268 -27.191 1.00 0.00 C ATOM 395 CD ARG A 33 -7.361 -13.376 -28.151 1.00 0.00 C ATOM 396 NE ARG A 33 -7.170 -14.437 -29.138 1.00 0.00 N ATOM 397 CZ ARG A 33 -8.154 -14.995 -29.844 1.00 0.00 C ATOM 398 NH1 ARG A 33 -9.416 -14.616 -29.654 1.00 0.00 N ATOM 399 NH2 ARG A 33 -7.876 -15.926 -30.749 1.00 0.00 N ATOM 0 H ARG A 33 -6.016 -9.719 -25.018 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.366 -10.852 -27.686 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.656 -12.228 -25.389 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.349 -12.087 -25.819 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.268 -13.160 -27.758 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.108 -14.192 -26.618 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.275 -13.566 -27.588 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.496 -12.424 -28.665 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.220 -14.773 -29.297 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.634 -13.896 -28.966 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.165 -15.046 -30.197 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.910 -16.214 -30.904 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.629 -16.353 -31.289 1.00 0.00 H new ATOM 413 N CYS A 34 -7.200 -8.900 -27.986 1.00 0.00 N ATOM 414 CA CYS A 34 -8.325 -8.192 -28.568 1.00 0.00 C ATOM 415 C CYS A 34 -8.194 -8.187 -30.086 1.00 0.00 C ATOM 416 O CYS A 34 -7.377 -7.461 -30.640 1.00 0.00 O ATOM 417 CB CYS A 34 -8.383 -6.746 -28.045 1.00 0.00 C ATOM 418 SG CYS A 34 -10.058 -6.137 -27.686 1.00 0.00 S ATOM 0 H CYS A 34 -6.310 -8.408 -28.062 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.246 -8.701 -28.283 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.784 -6.678 -27.137 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.922 -6.088 -28.782 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.991 -4.914 -27.251 1.00 0.00 H new ATOM 423 N GLN A 35 -8.995 -9.006 -30.752 1.00 0.00 N ATOM 424 CA GLN A 35 -8.969 -9.093 -32.217 1.00 0.00 C ATOM 425 C GLN A 35 -9.372 -7.768 -32.849 1.00 0.00 C ATOM 426 O GLN A 35 -9.086 -7.519 -34.015 1.00 0.00 O ATOM 427 CB GLN A 35 -9.914 -10.192 -32.694 1.00 0.00 C ATOM 428 CG GLN A 35 -9.440 -11.583 -32.356 1.00 0.00 C ATOM 429 CD GLN A 35 -8.119 -11.896 -33.009 1.00 0.00 C ATOM 430 OE1 GLN A 35 -7.028 -11.581 -32.328 1.00 0.00 O flip ATOM 431 NE2 GLN A 35 -8.069 -12.418 -34.118 1.00 0.00 N flip ATOM 0 H GLN A 35 -9.674 -9.623 -30.307 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.950 -9.330 -32.523 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.896 -10.034 -32.249 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.036 -10.111 -33.774 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.344 -11.682 -31.275 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.186 -12.310 -32.677 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.931 -12.647 -34.613 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.166 -12.623 -34.545 1.00 0.00 H new ATOM 440 N SER A 36 -10.036 -6.926 -32.060 1.00 0.00 N ATOM 441 CA SER A 36 -10.487 -5.618 -32.509 1.00 0.00 C ATOM 442 C SER A 36 -9.322 -4.771 -33.016 1.00 0.00 C ATOM 443 O SER A 36 -9.475 -3.982 -33.945 1.00 0.00 O ATOM 444 CB SER A 36 -11.192 -4.897 -31.366 1.00 0.00 C ATOM 445 OG SER A 36 -12.236 -5.694 -30.833 1.00 0.00 O ATOM 0 H SER A 36 -10.275 -7.135 -31.091 1.00 0.00 H new ATOM 0 HA SER A 36 -11.182 -5.764 -33.336 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.473 -4.660 -30.582 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.598 -3.950 -31.723 1.00 0.00 H new ATOM 0 HG SER A 36 -12.673 -5.213 -30.100 1.00 0.00 H new ATOM 451 N CYS A 37 -8.169 -4.931 -32.398 1.00 0.00 N ATOM 452 CA CYS A 37 -6.999 -4.183 -32.800 1.00 0.00 C ATOM 453 C CYS A 37 -5.816 -5.100 -33.095 1.00 0.00 C ATOM 454 O CYS A 37 -4.759 -4.640 -33.517 1.00 0.00 O ATOM 455 CB CYS A 37 -6.651 -3.168 -31.727 1.00 0.00 C ATOM 456 SG CYS A 37 -6.899 -3.782 -30.052 1.00 0.00 S ATOM 0 H CYS A 37 -8.019 -5.571 -31.618 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.228 -3.657 -33.727 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.610 -2.868 -31.845 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.258 -2.275 -31.872 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.577 -2.856 -29.198 1.00 0.00 H new ATOM 461 N LYS A 38 -6.004 -6.397 -32.899 1.00 0.00 N ATOM 462 CA LYS A 38 -4.950 -7.361 -33.166 1.00 0.00 C ATOM 463 C LYS A 38 -5.284 -8.179 -34.409 1.00 0.00 C ATOM 464 O LYS A 38 -5.304 -9.413 -34.384 1.00 0.00 O ATOM 465 CB LYS A 38 -4.710 -8.272 -31.962 1.00 0.00 C ATOM 466 CG LYS A 38 -3.370 -8.990 -32.025 1.00 0.00 C ATOM 467 CD LYS A 38 -3.536 -10.490 -32.022 1.00 0.00 C ATOM 468 CE LYS A 38 -2.603 -11.143 -32.990 1.00 0.00 C ATOM 469 NZ LYS A 38 -1.180 -10.987 -32.589 1.00 0.00 N ATOM 0 H LYS A 38 -6.875 -6.804 -32.557 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.027 -6.811 -33.349 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.757 -7.679 -31.048 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.510 -9.010 -31.905 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.837 -8.685 -32.925 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.757 -8.691 -31.175 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.352 -10.876 -31.019 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.565 -10.744 -32.277 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.844 -12.203 -33.065 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.749 -10.712 -33.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.571 -11.484 -33.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.932 -9.977 -32.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.040 -11.391 -31.641 1.00 0.00 H new ATOM 528 N CYS A 43 -4.071 -4.089 -40.318 1.00 0.00 N ATOM 529 CA CYS A 43 -4.577 -4.340 -41.645 1.00 0.00 C ATOM 530 C CYS A 43 -5.846 -3.519 -41.889 1.00 0.00 C ATOM 531 O CYS A 43 -6.582 -3.204 -40.950 1.00 0.00 O ATOM 532 CB CYS A 43 -4.847 -5.834 -41.822 1.00 0.00 C ATOM 533 SG CYS A 43 -4.858 -6.386 -43.541 1.00 0.00 S ATOM 0 HA CYS A 43 -3.831 -4.036 -42.380 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.089 -6.396 -41.277 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -5.809 -6.074 -41.369 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.092 -7.664 -43.585 1.00 0.00 H new ATOM 538 N THR A 44 -6.104 -3.194 -43.145 1.00 0.00 N ATOM 539 CA THR A 44 -7.224 -2.345 -43.509 1.00 0.00 C ATOM 540 C THR A 44 -8.573 -3.003 -43.216 1.00 0.00 C ATOM 541 O THR A 44 -8.759 -4.204 -43.449 1.00 0.00 O ATOM 542 CB THR A 44 -7.139 -1.953 -44.993 1.00 0.00 C ATOM 543 OG1 THR A 44 -6.613 -3.056 -45.749 1.00 0.00 O ATOM 544 CG2 THR A 44 -6.238 -0.740 -45.173 1.00 0.00 C ATOM 0 H THR A 44 -5.545 -3.510 -43.937 1.00 0.00 H new ATOM 0 HA THR A 44 -7.159 -1.449 -42.892 1.00 0.00 H new ATOM 0 HB THR A 44 -8.139 -1.703 -45.348 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.560 -2.808 -46.696 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.189 -0.476 -46.230 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.642 0.100 -44.608 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.237 -0.974 -44.811 1.00 0.00 H new ATOM 552 N ASP A 45 -9.509 -2.209 -42.703 1.00 0.00 N ATOM 553 CA ASP A 45 -10.846 -2.695 -42.372 1.00 0.00 C ATOM 554 C ASP A 45 -11.645 -2.942 -43.641 1.00 0.00 C ATOM 555 O ASP A 45 -12.508 -3.817 -43.689 1.00 0.00 O ATOM 556 CB ASP A 45 -11.585 -1.702 -41.455 1.00 0.00 C ATOM 557 CG ASP A 45 -12.135 -0.483 -42.181 1.00 0.00 C ATOM 558 OD1 ASP A 45 -11.347 0.426 -42.515 1.00 0.00 O ATOM 559 OD2 ASP A 45 -13.359 -0.420 -42.395 1.00 0.00 O ATOM 0 H ASP A 45 -9.365 -1.219 -42.506 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.742 -3.637 -41.833 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -12.407 -2.221 -40.962 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.903 -1.369 -40.672 1.00 0.00 H new ATOM 564 N VAL A 46 -11.316 -2.189 -44.682 1.00 0.00 N ATOM 565 CA VAL A 46 -11.974 -2.311 -45.980 1.00 0.00 C ATOM 566 C VAL A 46 -11.630 -3.662 -46.633 1.00 0.00 C ATOM 567 O VAL A 46 -12.298 -4.118 -47.569 1.00 0.00 O ATOM 568 CB VAL A 46 -11.552 -1.145 -46.914 1.00 0.00 C ATOM 569 CG1 VAL A 46 -12.308 -1.191 -48.227 1.00 0.00 C ATOM 570 CG2 VAL A 46 -11.776 0.191 -46.224 1.00 0.00 C ATOM 0 H VAL A 46 -10.587 -1.477 -44.653 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.052 -2.262 -45.824 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.490 -1.258 -47.133 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.990 -0.362 -48.859 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.100 -2.134 -48.734 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.378 -1.111 -48.034 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.476 1.000 -46.890 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.832 0.299 -45.975 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.181 0.233 -45.311 1.00 0.00 H new ATOM 580 N CYS A 47 -10.604 -4.303 -46.110 1.00 0.00 N ATOM 581 CA CYS A 47 -10.162 -5.592 -46.604 1.00 0.00 C ATOM 582 C CYS A 47 -11.069 -6.702 -46.068 1.00 0.00 C ATOM 583 O CYS A 47 -11.272 -7.731 -46.710 1.00 0.00 O ATOM 584 CB CYS A 47 -8.709 -5.825 -46.176 1.00 0.00 C ATOM 585 SG CYS A 47 -7.948 -7.303 -46.858 1.00 0.00 S ATOM 0 H CYS A 47 -10.053 -3.945 -45.330 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.219 -5.605 -47.692 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.115 -4.959 -46.470 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.671 -5.883 -45.088 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.724 -7.397 -46.431 1.00 0.00 H new ATOM 590 N LYS A 48 -11.636 -6.465 -44.896 1.00 0.00 N ATOM 591 CA LYS A 48 -12.499 -7.428 -44.243 1.00 0.00 C ATOM 592 C LYS A 48 -13.957 -7.215 -44.633 1.00 0.00 C ATOM 593 O LYS A 48 -14.872 -7.700 -43.962 1.00 0.00 O ATOM 594 CB LYS A 48 -12.312 -7.302 -42.741 1.00 0.00 C ATOM 595 CG LYS A 48 -10.872 -7.505 -42.341 1.00 0.00 C ATOM 596 CD LYS A 48 -10.329 -6.361 -41.512 1.00 0.00 C ATOM 597 CE LYS A 48 -8.827 -6.531 -41.273 1.00 0.00 C ATOM 598 NZ LYS A 48 -8.086 -6.776 -42.549 1.00 0.00 N ATOM 0 H LYS A 48 -11.509 -5.599 -44.373 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.229 -8.434 -44.563 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.646 -6.317 -42.414 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.938 -8.036 -42.233 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.784 -8.432 -41.775 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.263 -7.620 -43.238 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.516 -5.416 -42.021 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.852 -6.318 -40.556 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.432 -5.637 -40.789 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.660 -7.364 -40.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.094 -7.003 -42.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.522 -7.572 -43.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.126 -5.923 -43.143 1.00 0.00 H new ATOM 612 N GLN A 49 -14.160 -6.510 -45.731 1.00 0.00 N ATOM 613 CA GLN A 49 -15.492 -6.227 -46.230 1.00 0.00 C ATOM 614 C GLN A 49 -15.989 -7.360 -47.105 1.00 0.00 C ATOM 615 O GLN A 49 -15.232 -8.268 -47.454 1.00 0.00 O ATOM 616 CB GLN A 49 -15.485 -4.936 -47.033 1.00 0.00 C ATOM 617 CG GLN A 49 -15.111 -3.718 -46.224 1.00 0.00 C ATOM 618 CD GLN A 49 -16.200 -3.278 -45.273 1.00 0.00 C ATOM 619 OE1 GLN A 49 -16.979 -4.086 -44.772 1.00 0.00 O ATOM 620 NE2 GLN A 49 -16.258 -1.992 -45.018 1.00 0.00 N ATOM 0 H GLN A 49 -13.409 -6.119 -46.300 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.160 -6.122 -45.375 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.785 -5.039 -47.862 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.473 -4.783 -47.467 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.206 -3.931 -45.656 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.876 -2.897 -46.902 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.592 -1.355 -45.455 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.969 -1.630 -44.383 1.00 0.00 H new ATOM 629 N THR A 50 -17.254 -7.320 -47.444 1.00 0.00 N ATOM 630 CA THR A 50 -17.838 -8.310 -48.321 1.00 0.00 C ATOM 631 C THR A 50 -18.912 -7.669 -49.210 1.00 0.00 C ATOM 632 O THR A 50 -19.993 -7.325 -48.735 1.00 0.00 O ATOM 633 CB THR A 50 -18.436 -9.484 -47.521 1.00 0.00 C ATOM 634 OG1 THR A 50 -17.408 -10.071 -46.700 1.00 0.00 O ATOM 635 CG2 THR A 50 -18.995 -10.543 -48.458 1.00 0.00 C ATOM 0 H THR A 50 -17.907 -6.605 -47.123 1.00 0.00 H new ATOM 0 HA THR A 50 -17.044 -8.705 -48.955 1.00 0.00 H new ATOM 0 HB THR A 50 -19.246 -9.106 -46.897 1.00 0.00 H new ATOM 0 HG1 THR A 50 -17.784 -10.817 -46.188 1.00 0.00 H new ATOM 0 HG21 THR A 50 -19.412 -11.363 -47.873 1.00 0.00 H new ATOM 0 HG22 THR A 50 -19.777 -10.104 -49.077 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.197 -10.922 -49.096 1.00 0.00 H new ATOM 643 N PRO A 51 -18.610 -7.471 -50.510 1.00 0.00 N ATOM 644 CA PRO A 51 -17.320 -7.846 -51.098 1.00 0.00 C ATOM 645 C PRO A 51 -16.192 -6.928 -50.636 1.00 0.00 C ATOM 646 O PRO A 51 -16.438 -5.823 -50.140 1.00 0.00 O ATOM 647 CB PRO A 51 -17.556 -7.681 -52.601 1.00 0.00 C ATOM 648 CG PRO A 51 -18.617 -6.645 -52.698 1.00 0.00 C ATOM 649 CD PRO A 51 -19.506 -6.852 -51.504 1.00 0.00 C ATOM 0 HA PRO A 51 -17.013 -8.851 -50.808 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.647 -7.367 -53.114 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -17.873 -8.618 -53.059 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -18.186 -5.644 -52.695 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.179 -6.748 -53.626 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.917 -5.910 -51.142 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -20.351 -7.499 -51.740 1.00 0.00 H new ATOM 657 N CYS A 52 -14.970 -7.397 -50.779 1.00 0.00 N ATOM 658 CA CYS A 52 -13.801 -6.631 -50.394 1.00 0.00 C ATOM 659 C CYS A 52 -13.713 -5.342 -51.209 1.00 0.00 C ATOM 660 O CYS A 52 -14.067 -5.321 -52.390 1.00 0.00 O ATOM 661 CB CYS A 52 -12.551 -7.465 -50.603 1.00 0.00 C ATOM 662 SG CYS A 52 -11.026 -6.618 -50.182 1.00 0.00 S ATOM 0 H CYS A 52 -14.758 -8.317 -51.164 1.00 0.00 H new ATOM 0 HA CYS A 52 -13.886 -6.367 -49.340 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.628 -8.372 -50.003 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.505 -7.776 -51.647 1.00 0.00 H new ATOM 0 HG CYS A 52 -10.017 -7.411 -50.392 1.00 0.00 H new ATOM 667 N GLY A 53 -13.238 -4.274 -50.585 1.00 0.00 N ATOM 668 CA GLY A 53 -13.180 -3.010 -51.277 1.00 0.00 C ATOM 669 C GLY A 53 -11.790 -2.411 -51.333 1.00 0.00 C ATOM 670 O GLY A 53 -11.636 -1.233 -51.659 1.00 0.00 O ATOM 0 H GLY A 53 -12.896 -4.262 -49.624 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.549 -3.145 -52.294 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.850 -2.305 -50.785 1.00 0.00 H new ATOM 674 N CYS A 54 -10.774 -3.203 -51.020 1.00 0.00 N ATOM 675 CA CYS A 54 -9.393 -2.714 -51.059 1.00 0.00 C ATOM 676 C CYS A 54 -8.987 -2.302 -52.464 1.00 0.00 C ATOM 677 O CYS A 54 -8.292 -1.307 -52.653 1.00 0.00 O ATOM 678 CB CYS A 54 -8.434 -3.756 -50.527 1.00 0.00 C ATOM 679 SG CYS A 54 -8.455 -3.926 -48.740 1.00 0.00 S ATOM 0 H CYS A 54 -10.872 -4.178 -50.738 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.345 -1.833 -50.419 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.675 -4.719 -50.976 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.423 -3.500 -50.845 1.00 0.00 H new ATOM 0 HG CYS A 54 -7.306 -4.380 -48.334 1.00 0.00 H new ATOM 684 N ALA A 55 -9.442 -3.051 -53.451 1.00 0.00 N ATOM 685 CA ALA A 55 -9.134 -2.741 -54.838 1.00 0.00 C ATOM 686 C ALA A 55 -9.920 -1.516 -55.297 1.00 0.00 C ATOM 687 O ALA A 55 -9.673 -0.968 -56.370 1.00 0.00 O ATOM 688 CB ALA A 55 -9.440 -3.936 -55.728 1.00 0.00 C ATOM 0 H ALA A 55 -10.025 -3.877 -53.320 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.070 -2.516 -54.916 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.204 -3.689 -56.763 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.838 -4.788 -55.413 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.497 -4.189 -55.647 1.00 0.00 H new ATOM 694 N THR A 56 -10.849 -1.087 -54.468 1.00 0.00 N ATOM 695 CA THR A 56 -11.693 0.039 -54.777 1.00 0.00 C ATOM 696 C THR A 56 -11.228 1.310 -54.053 1.00 0.00 C ATOM 697 O THR A 56 -10.921 2.318 -54.691 1.00 0.00 O ATOM 698 CB THR A 56 -13.149 -0.269 -54.382 1.00 0.00 C ATOM 699 OG1 THR A 56 -13.559 -1.502 -54.986 1.00 0.00 O ATOM 700 CG2 THR A 56 -14.081 0.850 -54.816 1.00 0.00 C ATOM 0 H THR A 56 -11.037 -1.513 -53.560 1.00 0.00 H new ATOM 0 HA THR A 56 -11.628 0.214 -55.851 1.00 0.00 H new ATOM 0 HB THR A 56 -13.201 -0.355 -53.297 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.485 -1.698 -54.733 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.103 0.606 -54.524 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.779 1.781 -54.337 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.031 0.966 -55.899 1.00 0.00 H new ATOM 708 N SER A 57 -11.152 1.241 -52.731 1.00 0.00 N ATOM 709 CA SER A 57 -10.829 2.410 -51.918 1.00 0.00 C ATOM 710 C SER A 57 -9.328 2.520 -51.605 1.00 0.00 C ATOM 711 O SER A 57 -8.857 3.569 -51.156 1.00 0.00 O ATOM 712 CB SER A 57 -11.634 2.361 -50.620 1.00 0.00 C ATOM 713 OG SER A 57 -13.024 2.207 -50.889 1.00 0.00 O ATOM 0 H SER A 57 -11.310 0.387 -52.196 1.00 0.00 H new ATOM 0 HA SER A 57 -11.095 3.296 -52.495 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.285 1.533 -50.002 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.469 3.276 -50.050 1.00 0.00 H new ATOM 0 HG SER A 57 -13.519 2.176 -50.044 1.00 0.00 H new ATOM 719 N GLY A 58 -8.587 1.451 -51.843 1.00 0.00 N ATOM 720 CA GLY A 58 -7.165 1.455 -51.537 1.00 0.00 C ATOM 721 C GLY A 58 -6.870 0.630 -50.305 1.00 0.00 C ATOM 722 O GLY A 58 -7.794 0.275 -49.563 1.00 0.00 O ATOM 0 H GLY A 58 -8.939 0.580 -52.241 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.606 1.060 -52.385 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.826 2.479 -51.382 1.00 0.00 H new ATOM 726 N CYS A 59 -5.604 0.322 -50.069 1.00 0.00 N ATOM 727 CA CYS A 59 -5.236 -0.504 -48.929 1.00 0.00 C ATOM 728 C CYS A 59 -3.761 -0.348 -48.550 1.00 0.00 C ATOM 729 O CYS A 59 -3.004 0.358 -49.217 1.00 0.00 O ATOM 730 CB CYS A 59 -5.548 -1.962 -49.236 1.00 0.00 C ATOM 731 SG CYS A 59 -4.985 -2.497 -50.867 1.00 0.00 S ATOM 0 H CYS A 59 -4.820 0.628 -50.646 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.823 -0.170 -48.073 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.084 -2.591 -48.477 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.625 -2.117 -49.164 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.928 -2.296 -51.739 1.00 0.00 H new ATOM 736 N ASN A 60 -3.373 -1.019 -47.467 1.00 0.00 N ATOM 737 CA ASN A 60 -1.995 -0.986 -46.961 1.00 0.00 C ATOM 738 C ASN A 60 -1.289 -2.308 -47.268 1.00 0.00 C ATOM 739 O ASN A 60 -0.060 -2.374 -47.371 1.00 0.00 O ATOM 740 CB ASN A 60 -2.009 -0.741 -45.437 1.00 0.00 C ATOM 741 CG ASN A 60 -0.622 -0.732 -44.801 1.00 0.00 C ATOM 742 OD1 ASN A 60 0.367 -0.348 -45.427 1.00 0.00 O ATOM 743 ND2 ASN A 60 -0.544 -1.152 -43.548 1.00 0.00 N ATOM 0 H ASN A 60 -4.001 -1.601 -46.914 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.455 -0.177 -47.452 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.496 0.213 -45.236 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.612 -1.514 -44.960 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.357 -1.165 -43.070 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.385 -1.463 -43.061 1.00 0.00 H new ATOM 750 N CYS A 61 -2.076 -3.349 -47.431 1.00 0.00 N ATOM 751 CA CYS A 61 -1.556 -4.677 -47.679 1.00 0.00 C ATOM 752 C CYS A 61 -1.206 -4.881 -49.151 1.00 0.00 C ATOM 753 O CYS A 61 -1.535 -4.052 -50.007 1.00 0.00 O ATOM 754 CB CYS A 61 -2.576 -5.705 -47.223 1.00 0.00 C ATOM 755 SG CYS A 61 -4.260 -5.292 -47.702 1.00 0.00 S ATOM 0 H CYS A 61 -3.094 -3.299 -47.395 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.633 -4.800 -47.112 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -2.314 -6.677 -47.641 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.527 -5.800 -46.138 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.070 -6.216 -47.280 1.00 0.00 H new ATOM 760 N THR A 62 -0.545 -5.985 -49.431 1.00 0.00 N ATOM 761 CA THR A 62 -0.120 -6.325 -50.773 1.00 0.00 C ATOM 762 C THR A 62 -0.569 -7.741 -51.136 1.00 0.00 C ATOM 763 O THR A 62 -1.321 -8.366 -50.389 1.00 0.00 O ATOM 764 CB THR A 62 1.416 -6.231 -50.886 1.00 0.00 C ATOM 765 OG1 THR A 62 2.018 -6.725 -49.679 1.00 0.00 O ATOM 766 CG2 THR A 62 1.860 -4.796 -51.133 1.00 0.00 C ATOM 0 H THR A 62 -0.286 -6.677 -48.728 1.00 0.00 H new ATOM 0 HA THR A 62 -0.578 -5.618 -51.464 1.00 0.00 H new ATOM 0 HB THR A 62 1.737 -6.837 -51.733 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.869 -6.264 -49.526 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.947 -4.759 -51.208 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.419 -4.434 -52.062 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.532 -4.166 -50.306 1.00 0.00 H new ATOM 774 N ASP A 63 -0.086 -8.249 -52.272 1.00 0.00 N ATOM 775 CA ASP A 63 -0.411 -9.615 -52.731 1.00 0.00 C ATOM 776 C ASP A 63 0.157 -10.673 -51.778 1.00 0.00 C ATOM 777 O ASP A 63 -0.037 -11.868 -51.969 1.00 0.00 O ATOM 778 CB ASP A 63 0.140 -9.850 -54.134 1.00 0.00 C ATOM 779 CG ASP A 63 -0.878 -9.695 -55.220 1.00 0.00 C ATOM 780 OD1 ASP A 63 -1.201 -10.708 -55.867 1.00 0.00 O ATOM 781 OD2 ASP A 63 -1.347 -8.566 -55.462 1.00 0.00 O ATOM 0 H ASP A 63 0.535 -7.737 -52.899 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.497 -9.707 -52.745 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.958 -9.152 -54.314 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.561 -10.854 -54.185 1.00 0.00 H new ATOM 786 N ASP A 64 0.896 -10.214 -50.779 1.00 0.00 N ATOM 787 CA ASP A 64 1.451 -11.079 -49.740 1.00 0.00 C ATOM 788 C ASP A 64 0.363 -11.453 -48.731 1.00 0.00 C ATOM 789 O ASP A 64 0.507 -12.400 -47.949 1.00 0.00 O ATOM 790 CB ASP A 64 2.604 -10.354 -49.026 1.00 0.00 C ATOM 791 CG ASP A 64 3.173 -11.135 -47.850 1.00 0.00 C ATOM 792 OD1 ASP A 64 3.834 -12.171 -48.080 1.00 0.00 O ATOM 793 OD2 ASP A 64 2.976 -10.705 -46.689 1.00 0.00 O ATOM 0 H ASP A 64 1.130 -9.228 -50.663 1.00 0.00 H new ATOM 0 HA ASP A 64 1.831 -11.991 -50.200 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.401 -10.160 -49.744 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.251 -9.385 -48.672 1.00 0.00 H new ATOM 798 N CYS A 65 -0.730 -10.707 -48.774 1.00 0.00 N ATOM 799 CA CYS A 65 -1.854 -10.908 -47.873 1.00 0.00 C ATOM 800 C CYS A 65 -2.603 -12.196 -48.230 1.00 0.00 C ATOM 801 O CYS A 65 -2.451 -12.728 -49.325 1.00 0.00 O ATOM 802 CB CYS A 65 -2.794 -9.696 -47.954 1.00 0.00 C ATOM 803 SG CYS A 65 -3.983 -9.562 -46.600 1.00 0.00 S ATOM 0 H CYS A 65 -0.863 -9.943 -49.437 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.484 -11.006 -46.852 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.191 -8.788 -47.980 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.341 -9.742 -48.895 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.719 -8.504 -46.772 1.00 0.00 H new ATOM 808 N LYS A 66 -3.420 -12.683 -47.304 1.00 0.00 N ATOM 809 CA LYS A 66 -4.159 -13.929 -47.514 1.00 0.00 C ATOM 810 C LYS A 66 -5.496 -13.677 -48.190 1.00 0.00 C ATOM 811 O LYS A 66 -6.394 -14.522 -48.150 1.00 0.00 O ATOM 812 CB LYS A 66 -4.373 -14.683 -46.192 1.00 0.00 C ATOM 813 CG LYS A 66 -3.102 -15.277 -45.598 1.00 0.00 C ATOM 814 CD LYS A 66 -2.213 -14.211 -45.004 1.00 0.00 C ATOM 815 CE LYS A 66 -0.900 -14.794 -44.506 1.00 0.00 C ATOM 816 NZ LYS A 66 0.021 -13.740 -44.012 1.00 0.00 N ATOM 0 H LYS A 66 -3.590 -12.238 -46.402 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.552 -14.550 -48.173 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.816 -14.001 -45.466 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.093 -15.485 -46.357 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.365 -16.003 -44.828 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.556 -15.817 -46.372 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.011 -13.445 -45.753 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.731 -13.722 -44.179 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.099 -15.506 -43.705 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.419 -15.347 -45.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.904 -14.178 -43.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.232 -13.074 -44.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.427 -13.228 -43.225 1.00 0.00 H new ATOM 830 N CYS A 67 -5.630 -12.529 -48.804 1.00 0.00 N ATOM 831 CA CYS A 67 -6.837 -12.205 -49.509 1.00 0.00 C ATOM 832 C CYS A 67 -6.605 -12.323 -51.002 1.00 0.00 C ATOM 833 O CYS A 67 -5.534 -11.997 -51.497 1.00 0.00 O ATOM 834 CB CYS A 67 -7.320 -10.803 -49.157 1.00 0.00 C ATOM 835 SG CYS A 67 -8.926 -10.402 -49.873 1.00 0.00 S ATOM 0 H CYS A 67 -4.914 -11.803 -48.828 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.612 -12.910 -49.208 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.379 -10.708 -48.073 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.585 -10.076 -49.501 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.267 -9.196 -49.526 1.00 0.00 H new ATOM 840 N GLN A 68 -7.605 -12.799 -51.714 1.00 0.00 N ATOM 841 CA GLN A 68 -7.492 -12.986 -53.151 1.00 0.00 C ATOM 842 C GLN A 68 -8.333 -11.962 -53.904 1.00 0.00 C ATOM 843 O GLN A 68 -8.473 -12.034 -55.123 1.00 0.00 O ATOM 844 CB GLN A 68 -7.925 -14.401 -53.522 1.00 0.00 C ATOM 845 CG GLN A 68 -7.028 -15.486 -52.947 1.00 0.00 C ATOM 846 CD GLN A 68 -7.607 -16.873 -53.122 1.00 0.00 C ATOM 847 OE1 GLN A 68 -8.362 -17.132 -54.060 1.00 0.00 O ATOM 848 NE2 GLN A 68 -7.253 -17.777 -52.229 1.00 0.00 N ATOM 0 H GLN A 68 -8.509 -13.065 -51.323 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.450 -12.841 -53.438 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.945 -14.562 -53.173 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.941 -14.493 -54.608 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.052 -15.440 -53.431 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.867 -15.295 -51.886 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.625 -17.522 -51.467 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.607 -18.731 -52.301 1.00 0.00 H new ATOM 857 N SER A 69 -8.878 -11.002 -53.176 1.00 0.00 N ATOM 858 CA SER A 69 -9.728 -9.990 -53.776 1.00 0.00 C ATOM 859 C SER A 69 -8.910 -8.810 -54.318 1.00 0.00 C ATOM 860 O SER A 69 -9.094 -8.393 -55.460 1.00 0.00 O ATOM 861 CB SER A 69 -10.756 -9.513 -52.760 1.00 0.00 C ATOM 862 OG SER A 69 -11.431 -10.618 -52.171 1.00 0.00 O ATOM 0 H SER A 69 -8.747 -10.903 -52.169 1.00 0.00 H new ATOM 0 HA SER A 69 -10.245 -10.439 -54.624 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.263 -8.926 -51.985 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.478 -8.857 -53.246 1.00 0.00 H new ATOM 0 HG SER A 69 -10.954 -10.900 -51.363 1.00 0.00 H new ATOM 868 N CYS A 70 -8.006 -8.280 -53.506 1.00 0.00 N ATOM 869 CA CYS A 70 -7.189 -7.147 -53.928 1.00 0.00 C ATOM 870 C CYS A 70 -5.814 -7.602 -54.404 1.00 0.00 C ATOM 871 O CYS A 70 -4.906 -6.791 -54.587 1.00 0.00 O ATOM 872 CB CYS A 70 -7.057 -6.127 -52.794 1.00 0.00 C ATOM 873 SG CYS A 70 -6.472 -6.815 -51.227 1.00 0.00 S ATOM 0 H CYS A 70 -7.819 -8.611 -52.560 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.691 -6.668 -54.769 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.372 -5.340 -53.109 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.027 -5.658 -52.630 1.00 0.00 H new ATOM 0 HG CYS A 70 -6.395 -5.868 -50.339 1.00 0.00 H new ATOM 878 N SER A 71 -5.676 -8.889 -54.632 1.00 0.00 N ATOM 879 CA SER A 71 -4.415 -9.445 -55.068 1.00 0.00 C ATOM 880 C SER A 71 -4.464 -9.831 -56.547 1.00 0.00 C ATOM 881 O SER A 71 -5.517 -10.237 -57.060 1.00 0.00 O ATOM 882 CB SER A 71 -4.058 -10.656 -54.210 1.00 0.00 C ATOM 883 OG SER A 71 -4.013 -10.301 -52.839 1.00 0.00 O ATOM 0 H SER A 71 -6.425 -9.573 -54.522 1.00 0.00 H new ATOM 0 HA SER A 71 -3.643 -8.684 -54.949 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.793 -11.446 -54.363 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.092 -11.056 -54.519 1.00 0.00 H new ATOM 0 HG SER A 71 -4.351 -11.045 -52.297 1.00 0.00 H new ATOM 889 N THR A 72 -3.328 -9.689 -57.222 1.00 0.00 N ATOM 890 CA THR A 72 -3.209 -10.046 -58.622 1.00 0.00 C ATOM 891 C THR A 72 -3.461 -11.533 -58.819 1.00 0.00 C ATOM 892 O THR A 72 -2.957 -12.370 -58.061 1.00 0.00 O ATOM 893 CB THR A 72 -1.811 -9.702 -59.187 1.00 0.00 C ATOM 894 OG1 THR A 72 -0.784 -10.216 -58.331 1.00 0.00 O ATOM 895 CG2 THR A 72 -1.632 -8.210 -59.344 1.00 0.00 C ATOM 0 H THR A 72 -2.469 -9.324 -56.811 1.00 0.00 H new ATOM 0 HA THR A 72 -3.958 -9.465 -59.160 1.00 0.00 H new ATOM 0 HB THR A 72 -1.733 -10.167 -60.170 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.193 -10.686 -57.575 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.639 -8.003 -59.743 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.386 -7.823 -60.029 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.741 -7.726 -58.373 1.00 0.00 H new ATOM 903 N ALA A 73 -4.230 -11.854 -59.826 1.00 0.00 N ATOM 904 CA ALA A 73 -4.558 -13.223 -60.126 1.00 0.00 C ATOM 905 C ALA A 73 -3.386 -13.929 -60.781 1.00 0.00 C ATOM 906 O ALA A 73 -2.572 -13.302 -61.464 1.00 0.00 O ATOM 907 CB ALA A 73 -5.772 -13.270 -61.035 1.00 0.00 C ATOM 0 H ALA A 73 -4.647 -11.174 -60.462 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.785 -13.739 -59.193 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.018 -14.308 -61.260 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.618 -12.797 -60.537 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.553 -12.739 -61.962 1.00 0.00 H new ATOM 913 N CYS A 74 -3.279 -15.227 -60.533 1.00 0.00 N ATOM 914 CA CYS A 74 -2.267 -16.049 -61.172 1.00 0.00 C ATOM 915 C CYS A 74 -2.448 -15.962 -62.671 1.00 0.00 C ATOM 916 O CYS A 74 -3.583 -15.897 -63.168 1.00 0.00 O ATOM 917 CB CYS A 74 -2.402 -17.504 -60.725 1.00 0.00 C ATOM 918 SG CYS A 74 -1.041 -18.598 -61.246 1.00 0.00 S ATOM 0 H CYS A 74 -3.886 -15.734 -59.889 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.277 -15.690 -60.889 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.473 -17.529 -59.638 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.339 -17.903 -61.115 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.214 -18.764 -60.256 1.00 0.00 H new ATOM 923 N LYS A 75 -1.363 -15.966 -63.392 1.00 0.00 N ATOM 924 CA LYS A 75 -1.434 -15.833 -64.823 1.00 0.00 C ATOM 925 C LYS A 75 -1.641 -17.189 -65.472 1.00 0.00 C ATOM 926 O LYS A 75 -1.772 -17.296 -66.692 1.00 0.00 O ATOM 927 CB LYS A 75 -0.175 -15.158 -65.364 1.00 0.00 C ATOM 928 CG LYS A 75 0.159 -13.833 -64.679 1.00 0.00 C ATOM 929 CD LYS A 75 -0.847 -12.736 -65.009 1.00 0.00 C ATOM 930 CE LYS A 75 -0.693 -12.242 -66.439 1.00 0.00 C ATOM 931 NZ LYS A 75 0.650 -11.647 -66.684 1.00 0.00 N ATOM 0 H LYS A 75 -0.420 -16.060 -63.015 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.288 -15.202 -65.069 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.669 -15.838 -65.249 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.299 -14.982 -66.433 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.188 -13.983 -63.600 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.155 -13.511 -64.983 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.859 -13.114 -64.862 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.715 -11.902 -64.320 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.853 -13.071 -67.128 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.462 -11.499 -66.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.610 -11.034 -67.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.937 -11.085 -65.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.342 -12.407 -66.843 1.00 0.00 H new ATOM 945 N CYS A 76 -1.664 -18.221 -64.653 1.00 0.00 N ATOM 946 CA CYS A 76 -1.887 -19.568 -65.125 1.00 0.00 C ATOM 947 C CYS A 76 -3.368 -19.819 -65.370 1.00 0.00 C ATOM 948 O CYS A 76 -4.228 -19.094 -64.858 1.00 0.00 O ATOM 949 CB CYS A 76 -1.332 -20.574 -64.125 1.00 0.00 C ATOM 950 SG CYS A 76 0.454 -20.458 -63.899 1.00 0.00 S ATOM 0 H CYS A 76 -1.529 -18.148 -63.645 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.363 -19.691 -66.073 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.822 -20.425 -63.163 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.583 -21.581 -64.458 1.00 0.00 H new ATOM 0 HG CYS A 76 0.786 -19.217 -63.698 1.00 0.00 H new ATOM 955 N ALA A 77 -3.660 -20.839 -66.144 1.00 0.00 N ATOM 956 CA ALA A 77 -5.025 -21.177 -66.477 1.00 0.00 C ATOM 957 C ALA A 77 -5.350 -22.573 -65.999 1.00 0.00 C ATOM 958 O ALA A 77 -4.454 -23.303 -65.576 1.00 0.00 O ATOM 959 CB ALA A 77 -5.248 -21.059 -67.968 1.00 0.00 C ATOM 0 H ALA A 77 -2.961 -21.456 -66.559 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.691 -20.476 -65.974 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.281 -21.317 -68.203 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.048 -20.036 -68.286 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.576 -21.739 -68.491 1.00 0.00 H new ATOM 965 N ALA A 78 -6.627 -22.943 -66.093 1.00 0.00 N ATOM 966 CA ALA A 78 -7.127 -24.246 -65.628 1.00 0.00 C ATOM 967 C ALA A 78 -6.239 -25.411 -66.071 1.00 0.00 C ATOM 968 O ALA A 78 -6.004 -26.345 -65.306 1.00 0.00 O ATOM 969 CB ALA A 78 -8.550 -24.460 -66.111 1.00 0.00 C ATOM 0 H ALA A 78 -7.351 -22.348 -66.495 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.107 -24.227 -64.538 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.911 -25.427 -65.762 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.190 -23.670 -65.718 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.572 -24.436 -67.201 1.00 0.00 H new ATOM 975 N GLY A 79 -5.750 -25.349 -67.294 1.00 0.00 N ATOM 976 CA GLY A 79 -4.886 -26.390 -67.796 1.00 0.00 C ATOM 977 C GLY A 79 -3.608 -25.831 -68.374 1.00 0.00 C ATOM 978 O GLY A 79 -3.080 -26.356 -69.353 1.00 0.00 O ATOM 0 H GLY A 79 -5.937 -24.592 -67.952 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.647 -27.084 -66.990 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.412 -26.960 -68.562 1.00 0.00 H new ATOM 982 N SER A 80 -3.118 -24.760 -67.772 1.00 0.00 N ATOM 983 CA SER A 80 -1.900 -24.106 -68.226 1.00 0.00 C ATOM 984 C SER A 80 -1.101 -23.603 -67.021 1.00 0.00 C ATOM 985 O SER A 80 -1.506 -22.647 -66.361 1.00 0.00 O ATOM 986 CB SER A 80 -2.250 -22.933 -69.146 1.00 0.00 C ATOM 987 OG SER A 80 -3.180 -23.321 -70.149 1.00 0.00 O ATOM 0 H SER A 80 -3.550 -24.321 -66.959 1.00 0.00 H new ATOM 0 HA SER A 80 -1.295 -24.824 -68.780 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.668 -22.118 -68.556 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.343 -22.554 -69.616 1.00 0.00 H new ATOM 0 HG SER A 80 -3.386 -22.551 -70.720 1.00 0.00 H new ATOM 993 N CYS A 81 0.015 -24.252 -66.736 1.00 0.00 N ATOM 994 CA CYS A 81 0.840 -23.899 -65.583 1.00 0.00 C ATOM 995 C CYS A 81 2.282 -23.594 -66.014 1.00 0.00 C ATOM 996 O CYS A 81 2.832 -24.279 -66.881 1.00 0.00 O ATOM 997 CB CYS A 81 0.834 -25.061 -64.583 1.00 0.00 C ATOM 998 SG CYS A 81 0.479 -24.587 -62.881 1.00 0.00 S ATOM 0 H CYS A 81 0.376 -25.031 -67.288 1.00 0.00 H new ATOM 0 HA CYS A 81 0.426 -23.005 -65.117 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.094 -25.795 -64.903 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.806 -25.554 -64.614 1.00 0.00 H new ATOM 0 HG CYS A 81 1.082 -25.404 -62.068 1.00 0.00 H new ATOM 1003 N LYS A 82 2.888 -22.557 -65.418 1.00 0.00 N ATOM 1004 CA LYS A 82 4.283 -22.205 -65.734 1.00 0.00 C ATOM 1005 C LYS A 82 5.114 -21.926 -64.496 1.00 0.00 C ATOM 1006 O LYS A 82 6.297 -22.257 -64.462 1.00 0.00 O ATOM 1007 CB LYS A 82 4.400 -21.038 -66.708 1.00 0.00 C ATOM 1008 CG LYS A 82 3.542 -19.854 -66.380 1.00 0.00 C ATOM 1009 CD LYS A 82 2.159 -20.052 -66.922 1.00 0.00 C ATOM 1010 CE LYS A 82 1.354 -18.792 -66.835 1.00 0.00 C ATOM 1011 NZ LYS A 82 0.189 -18.832 -67.749 1.00 0.00 N ATOM 0 H LYS A 82 2.444 -21.955 -64.725 1.00 0.00 H new ATOM 0 HA LYS A 82 4.686 -23.092 -66.223 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.441 -20.716 -66.743 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.142 -21.390 -67.707 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.501 -19.714 -65.300 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.980 -18.950 -66.802 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.217 -20.378 -67.960 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.658 -20.845 -66.366 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.010 -18.648 -65.811 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.984 -17.938 -67.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.567 -18.223 -67.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.474 -18.492 -68.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.159 -19.809 -67.825 1.00 0.00 H new ATOM 1025 N CYS A 83 4.523 -21.282 -63.492 1.00 0.00 N ATOM 1026 CA CYS A 83 5.230 -21.036 -62.239 1.00 0.00 C ATOM 1027 C CYS A 83 5.659 -22.363 -61.606 1.00 0.00 C ATOM 1028 O CYS A 83 6.615 -22.419 -60.832 1.00 0.00 O ATOM 1029 CB CYS A 83 4.326 -20.286 -61.287 1.00 0.00 C ATOM 1030 SG CYS A 83 2.801 -21.165 -60.952 1.00 0.00 S ATOM 0 H CYS A 83 3.568 -20.925 -63.521 1.00 0.00 H new ATOM 0 HA CYS A 83 6.119 -20.439 -62.443 1.00 0.00 H new ATOM 0 HB2 CYS A 83 4.855 -20.112 -60.350 1.00 0.00 H new ATOM 0 HB3 CYS A 83 4.093 -19.308 -61.707 1.00 0.00 H new ATOM 0 HG CYS A 83 1.960 -20.960 -61.922 1.00 0.00 H new ATOM 1035 N GLY A 84 4.931 -23.427 -61.947 1.00 0.00 N ATOM 1036 CA GLY A 84 5.243 -24.742 -61.446 1.00 0.00 C ATOM 1037 C GLY A 84 4.762 -24.950 -60.039 1.00 0.00 C ATOM 1038 O GLY A 84 5.231 -25.844 -59.345 1.00 0.00 O ATOM 0 H GLY A 84 4.123 -23.391 -62.569 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.791 -25.492 -62.096 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.321 -24.896 -61.484 1.00 0.00 H new ATOM 1042 N LYS A 85 3.814 -24.132 -59.615 1.00 0.00 N ATOM 1043 CA LYS A 85 3.296 -24.224 -58.263 1.00 0.00 C ATOM 1044 C LYS A 85 1.989 -25.011 -58.216 1.00 0.00 C ATOM 1045 O LYS A 85 1.383 -25.165 -57.153 1.00 0.00 O ATOM 1046 CB LYS A 85 3.121 -22.829 -57.664 1.00 0.00 C ATOM 1047 CG LYS A 85 4.398 -21.991 -57.686 1.00 0.00 C ATOM 1048 CD LYS A 85 5.564 -22.726 -57.032 1.00 0.00 C ATOM 1049 CE LYS A 85 6.846 -21.912 -57.099 1.00 0.00 C ATOM 1050 NZ LYS A 85 6.744 -20.647 -56.335 1.00 0.00 N ATOM 0 H LYS A 85 3.390 -23.400 -60.185 1.00 0.00 H new ATOM 0 HA LYS A 85 4.022 -24.769 -57.660 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.341 -22.302 -58.213 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.777 -22.925 -56.634 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.654 -21.745 -58.716 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.224 -21.048 -57.167 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.322 -22.940 -55.991 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.715 -23.685 -57.528 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.672 -22.505 -56.708 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.079 -21.688 -58.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.681 -20.198 -56.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.080 -20.005 -56.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.399 -20.848 -55.375 1.00 0.00 H new ATOM 1064 N GLY A 86 1.561 -25.505 -59.379 1.00 0.00 N ATOM 1065 CA GLY A 86 0.365 -26.336 -59.461 1.00 0.00 C ATOM 1066 C GLY A 86 -0.888 -25.639 -58.969 1.00 0.00 C ATOM 1067 O GLY A 86 -1.664 -26.207 -58.199 1.00 0.00 O ATOM 0 H GLY A 86 2.025 -25.343 -60.273 1.00 0.00 H new ATOM 0 HA2 GLY A 86 0.217 -26.646 -60.496 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.521 -27.243 -58.876 1.00 0.00 H new ATOM 1071 N CYS A 87 -1.077 -24.418 -59.394 1.00 0.00 N ATOM 1072 CA CYS A 87 -2.247 -23.651 -59.018 1.00 0.00 C ATOM 1073 C CYS A 87 -3.237 -23.593 -60.162 1.00 0.00 C ATOM 1074 O CYS A 87 -4.444 -23.684 -59.952 1.00 0.00 O ATOM 1075 CB CYS A 87 -1.823 -22.263 -58.615 1.00 0.00 C ATOM 1076 SG CYS A 87 -0.438 -21.667 -59.577 1.00 0.00 S ATOM 0 H CYS A 87 -0.430 -23.924 -60.008 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.738 -24.136 -58.175 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -2.664 -21.580 -58.733 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.556 -22.260 -57.558 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.778 -20.577 -60.199 1.00 0.00 H new ATOM 1081 N THR A 88 -2.710 -23.460 -61.377 1.00 0.00 N ATOM 1082 CA THR A 88 -3.515 -23.395 -62.594 1.00 0.00 C ATOM 1083 C THR A 88 -4.646 -22.362 -62.489 1.00 0.00 C ATOM 1084 O THR A 88 -5.805 -22.655 -62.789 1.00 0.00 O ATOM 1085 CB THR A 88 -4.088 -24.787 -63.003 1.00 0.00 C ATOM 1086 OG1 THR A 88 -4.769 -25.410 -61.901 1.00 0.00 O ATOM 1087 CG2 THR A 88 -2.975 -25.701 -63.499 1.00 0.00 C ATOM 0 H THR A 88 -1.706 -23.394 -61.546 1.00 0.00 H new ATOM 0 HA THR A 88 -2.835 -23.070 -63.381 1.00 0.00 H new ATOM 0 HB THR A 88 -4.804 -24.625 -63.809 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.056 -24.723 -61.263 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.395 -26.667 -63.779 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.493 -25.250 -64.366 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.239 -25.841 -62.707 1.00 0.00 H new ATOM 1095 N GLY A 89 -4.305 -21.166 -62.034 1.00 0.00 N ATOM 1096 CA GLY A 89 -5.284 -20.101 -61.962 1.00 0.00 C ATOM 1097 C GLY A 89 -5.386 -19.494 -60.583 1.00 0.00 C ATOM 1098 O GLY A 89 -4.988 -20.116 -59.608 1.00 0.00 O ATOM 0 H GLY A 89 -3.370 -20.914 -61.714 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.021 -19.323 -62.678 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.259 -20.489 -62.256 1.00 0.00 H new ATOM 1102 N PRO A 90 -5.938 -18.269 -60.474 1.00 0.00 N ATOM 1103 CA PRO A 90 -6.063 -17.549 -59.189 1.00 0.00 C ATOM 1104 C PRO A 90 -6.961 -18.267 -58.191 1.00 0.00 C ATOM 1105 O PRO A 90 -6.698 -18.260 -56.995 1.00 0.00 O ATOM 1106 CB PRO A 90 -6.706 -16.220 -59.592 1.00 0.00 C ATOM 1107 CG PRO A 90 -7.385 -16.513 -60.886 1.00 0.00 C ATOM 1108 CD PRO A 90 -6.492 -17.479 -61.592 1.00 0.00 C ATOM 0 HA PRO A 90 -5.098 -17.455 -58.691 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.416 -15.878 -58.839 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.958 -15.435 -59.705 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.375 -16.940 -60.723 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.523 -15.604 -61.472 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.043 -18.102 -62.297 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.711 -16.972 -62.158 1.00 0.00 H new ATOM 1116 N ASP A 91 -8.010 -18.894 -58.695 1.00 0.00 N ATOM 1117 CA ASP A 91 -8.984 -19.578 -57.849 1.00 0.00 C ATOM 1118 C ASP A 91 -8.342 -20.723 -57.069 1.00 0.00 C ATOM 1119 O ASP A 91 -8.769 -21.054 -55.959 1.00 0.00 O ATOM 1120 CB ASP A 91 -10.143 -20.090 -58.696 1.00 0.00 C ATOM 1121 CG ASP A 91 -11.186 -20.821 -57.884 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -11.359 -22.041 -58.090 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -11.845 -20.177 -57.041 1.00 0.00 O ATOM 0 H ASP A 91 -8.213 -18.946 -59.693 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.364 -18.860 -57.123 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.612 -19.249 -59.208 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.756 -20.757 -59.467 1.00 0.00 H new ATOM 1128 N SER A 92 -7.315 -21.315 -57.645 1.00 0.00 N ATOM 1129 CA SER A 92 -6.609 -22.398 -56.996 1.00 0.00 C ATOM 1130 C SER A 92 -5.166 -21.989 -56.690 1.00 0.00 C ATOM 1131 O SER A 92 -4.304 -22.837 -56.425 1.00 0.00 O ATOM 1132 CB SER A 92 -6.645 -23.641 -57.875 1.00 0.00 C ATOM 1133 OG SER A 92 -7.974 -23.919 -58.299 1.00 0.00 O ATOM 0 H SER A 92 -6.951 -21.062 -58.564 1.00 0.00 H new ATOM 0 HA SER A 92 -7.102 -22.626 -56.051 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.003 -23.496 -58.744 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.248 -24.494 -57.324 1.00 0.00 H new ATOM 0 HG SER A 92 -7.976 -24.720 -58.864 1.00 0.00 H new ATOM 1139 N CYS A 93 -4.914 -20.687 -56.720 1.00 0.00 N ATOM 1140 CA CYS A 93 -3.597 -20.154 -56.434 1.00 0.00 C ATOM 1141 C CYS A 93 -3.411 -20.001 -54.938 1.00 0.00 C ATOM 1142 O CYS A 93 -3.884 -19.040 -54.337 1.00 0.00 O ATOM 1143 CB CYS A 93 -3.388 -18.800 -57.146 1.00 0.00 C ATOM 1144 SG CYS A 93 -1.730 -18.069 -56.958 1.00 0.00 S ATOM 0 H CYS A 93 -5.614 -19.979 -56.942 1.00 0.00 H new ATOM 0 HA CYS A 93 -2.851 -20.854 -56.811 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -3.590 -18.932 -58.209 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -4.124 -18.091 -56.767 1.00 0.00 H new ATOM 0 HG CYS A 93 -1.583 -17.634 -55.742 1.00 0.00 H new ATOM 1149 N LYS A 94 -2.753 -20.972 -54.332 1.00 0.00 N ATOM 1150 CA LYS A 94 -2.457 -20.915 -52.912 1.00 0.00 C ATOM 1151 C LYS A 94 -1.122 -20.223 -52.711 1.00 0.00 C ATOM 1152 O LYS A 94 -0.475 -20.354 -51.668 1.00 0.00 O ATOM 1153 CB LYS A 94 -2.438 -22.325 -52.301 1.00 0.00 C ATOM 1154 CG LYS A 94 -1.375 -23.259 -52.880 1.00 0.00 C ATOM 1155 CD LYS A 94 -1.408 -24.638 -52.213 1.00 0.00 C ATOM 1156 CE LYS A 94 -1.170 -24.539 -50.718 1.00 0.00 C ATOM 1157 NZ LYS A 94 -1.191 -25.865 -50.074 1.00 0.00 N ATOM 0 H LYS A 94 -2.413 -21.811 -54.802 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.237 -20.348 -52.404 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.279 -22.238 -51.226 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.418 -22.781 -52.442 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.533 -23.370 -53.953 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.389 -22.814 -52.748 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.373 -25.110 -52.398 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.649 -25.278 -52.662 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.208 -24.060 -50.533 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.934 -23.904 -50.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.025 -25.758 -49.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.117 -26.312 -50.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.446 -26.462 -50.485 1.00 0.00 H new ATOM 1171 N CYS A 95 -0.727 -19.482 -53.719 1.00 0.00 N ATOM 1172 CA CYS A 95 0.521 -18.774 -53.725 1.00 0.00 C ATOM 1173 C CYS A 95 0.275 -17.271 -53.585 1.00 0.00 C ATOM 1174 O CYS A 95 -0.781 -16.766 -53.964 1.00 0.00 O ATOM 1175 CB CYS A 95 1.258 -19.076 -55.025 1.00 0.00 C ATOM 1176 SG CYS A 95 1.369 -20.850 -55.415 1.00 0.00 S ATOM 0 H CYS A 95 -1.276 -19.355 -54.569 1.00 0.00 H new ATOM 0 HA CYS A 95 1.131 -19.098 -52.882 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.753 -18.565 -55.845 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.265 -18.664 -54.964 1.00 0.00 H new ATOM 0 HG CYS A 95 1.185 -21.026 -56.690 1.00 0.00 H new ATOM 1181 N ASP A 96 1.245 -16.569 -53.038 1.00 0.00 N ATOM 1182 CA ASP A 96 1.126 -15.135 -52.817 1.00 0.00 C ATOM 1183 C ASP A 96 1.807 -14.348 -53.946 1.00 0.00 C ATOM 1184 O ASP A 96 1.972 -14.849 -55.061 1.00 0.00 O ATOM 1185 CB ASP A 96 1.748 -14.766 -51.461 1.00 0.00 C ATOM 1186 CG ASP A 96 3.244 -15.010 -51.413 1.00 0.00 C ATOM 1187 OD1 ASP A 96 3.659 -16.164 -51.187 1.00 0.00 O ATOM 1188 OD2 ASP A 96 4.009 -14.048 -51.601 1.00 0.00 O ATOM 0 H ASP A 96 2.133 -16.968 -52.735 1.00 0.00 H new ATOM 0 HA ASP A 96 0.069 -14.871 -52.812 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.549 -13.715 -51.249 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.265 -15.346 -50.675 1.00 0.00 H new ATOM 1193 N ARG A 97 2.195 -13.109 -53.645 1.00 0.00 N ATOM 1194 CA ARG A 97 2.872 -12.232 -54.605 1.00 0.00 C ATOM 1195 C ARG A 97 4.187 -12.834 -55.078 1.00 0.00 C ATOM 1196 O ARG A 97 4.698 -12.479 -56.139 1.00 0.00 O ATOM 1197 CB ARG A 97 3.165 -10.889 -53.967 1.00 0.00 C ATOM 1198 CG ARG A 97 4.137 -10.958 -52.822 1.00 0.00 C ATOM 1199 CD ARG A 97 4.389 -9.592 -52.276 1.00 0.00 C ATOM 1200 NE ARG A 97 5.263 -9.614 -51.104 1.00 0.00 N ATOM 1201 CZ ARG A 97 5.473 -8.561 -50.306 1.00 0.00 C ATOM 1202 NH1 ARG A 97 4.901 -7.398 -50.576 1.00 0.00 N ATOM 1203 NH2 ARG A 97 6.258 -8.671 -49.247 1.00 0.00 N ATOM 0 H ARG A 97 2.050 -12.683 -52.730 1.00 0.00 H new ATOM 0 HA ARG A 97 2.206 -12.112 -55.460 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.561 -10.215 -54.727 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.230 -10.455 -53.612 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.741 -11.603 -52.038 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.074 -11.402 -53.157 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.840 -8.971 -53.050 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.439 -9.129 -52.009 1.00 0.00 H new ATOM 0 HE ARG A 97 5.742 -10.486 -50.881 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.299 -7.304 -51.394 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.062 -6.596 -49.966 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.707 -9.562 -49.035 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.414 -7.865 -48.642 1.00 0.00 H new ATOM 1217 N SER A 98 4.718 -13.750 -54.284 1.00 0.00 N ATOM 1218 CA SER A 98 5.992 -14.378 -54.569 1.00 0.00 C ATOM 1219 C SER A 98 5.890 -15.279 -55.799 1.00 0.00 C ATOM 1220 O SER A 98 6.890 -15.841 -56.263 1.00 0.00 O ATOM 1221 CB SER A 98 6.475 -15.168 -53.348 1.00 0.00 C ATOM 1222 OG SER A 98 7.860 -15.449 -53.431 1.00 0.00 O ATOM 0 H SER A 98 4.276 -14.077 -53.425 1.00 0.00 H new ATOM 0 HA SER A 98 6.723 -13.600 -54.788 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.271 -14.599 -52.441 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.917 -16.101 -53.272 1.00 0.00 H new ATOM 0 HG SER A 98 8.104 -15.620 -54.365 1.00 0.00 H new ATOM 1228 N CYS A 99 4.678 -15.417 -56.314 1.00 0.00 N ATOM 1229 CA CYS A 99 4.440 -16.171 -57.513 1.00 0.00 C ATOM 1230 C CYS A 99 5.145 -15.485 -58.674 1.00 0.00 C ATOM 1231 O CYS A 99 4.994 -14.276 -58.876 1.00 0.00 O ATOM 1232 CB CYS A 99 2.951 -16.245 -57.791 1.00 0.00 C ATOM 1233 SG CYS A 99 2.451 -17.670 -58.760 1.00 0.00 S ATOM 0 H CYS A 99 3.839 -15.006 -55.905 1.00 0.00 H new ATOM 0 HA CYS A 99 4.825 -17.183 -57.391 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.416 -16.260 -56.841 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.645 -15.339 -58.314 1.00 0.00 H new ATOM 0 HG CYS A 99 1.164 -17.642 -58.940 1.00 0.00 H new ATOM 1238 N SER A 100 5.895 -16.248 -59.430 1.00 0.00 N ATOM 1239 CA SER A 100 6.687 -15.716 -60.527 1.00 0.00 C ATOM 1240 C SER A 100 5.815 -15.171 -61.661 1.00 0.00 C ATOM 1241 O SER A 100 6.278 -14.383 -62.488 1.00 0.00 O ATOM 1242 CB SER A 100 7.598 -16.812 -61.056 1.00 0.00 C ATOM 1243 OG SER A 100 8.288 -17.450 -59.988 1.00 0.00 O ATOM 0 H SER A 100 5.978 -17.257 -59.307 1.00 0.00 H new ATOM 0 HA SER A 100 7.275 -14.881 -60.145 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.010 -17.547 -61.606 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.316 -16.388 -61.758 1.00 0.00 H new ATOM 0 HG SER A 100 8.868 -18.153 -60.347 1.00 0.00 H new ATOM 1249 N CYS A 101 4.564 -15.573 -61.685 1.00 0.00 N ATOM 1250 CA CYS A 101 3.658 -15.179 -62.746 1.00 0.00 C ATOM 1251 C CYS A 101 3.225 -13.722 -62.649 1.00 0.00 C ATOM 1252 O CYS A 101 2.899 -13.106 -63.662 1.00 0.00 O ATOM 1253 CB CYS A 101 2.446 -16.091 -62.757 1.00 0.00 C ATOM 1254 SG CYS A 101 2.805 -17.742 -63.307 1.00 0.00 S ATOM 0 H CYS A 101 4.146 -16.177 -60.977 1.00 0.00 H new ATOM 0 HA CYS A 101 4.204 -15.279 -63.684 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.025 -16.135 -61.752 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.682 -15.659 -63.404 1.00 0.00 H new ATOM 0 HG CYS A 101 2.322 -18.598 -62.456 1.00 0.00 H new ATOM 1259 N LYS A 102 3.239 -13.162 -61.448 1.00 0.00 N ATOM 1260 CA LYS A 102 2.781 -11.783 -61.260 1.00 0.00 C ATOM 1261 C LYS A 102 3.606 -10.808 -62.103 1.00 0.00 C ATOM 1262 O LYS A 102 4.791 -10.574 -61.746 1.00 0.00 O ATOM 1263 CB LYS A 102 2.832 -11.378 -59.787 1.00 0.00 C ATOM 1264 CG LYS A 102 2.131 -12.345 -58.843 1.00 0.00 C ATOM 1265 CD LYS A 102 0.743 -12.738 -59.339 1.00 0.00 C ATOM 1266 CE LYS A 102 0.075 -13.702 -58.353 1.00 0.00 C ATOM 1267 NZ LYS A 102 -0.423 -13.012 -57.127 1.00 0.00 N ATOM 0 H LYS A 102 3.556 -13.628 -60.598 1.00 0.00 H new ATOM 0 HA LYS A 102 1.744 -11.737 -61.593 1.00 0.00 H new ATOM 0 HB2 LYS A 102 3.875 -11.286 -59.484 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.380 -10.392 -59.678 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.740 -13.242 -58.728 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.046 -11.888 -57.857 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.127 -11.847 -59.459 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.820 -13.207 -60.320 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.757 -14.203 -58.847 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.788 -14.475 -58.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.234 -13.605 -56.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.064 -12.099 -57.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.447 -12.850 -57.211 1.00 0.00 H new