USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 940 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 64 THR OG1 : rot 126:sc= -0.664 USER MOD Set 1.2: A 124 LYS NZ :NH3+ -177:sc= 0.287 (180deg=0) USER MOD Set 2.1: A 48 MET CE :methyl 177:sc= 0 (180deg=-0.0109) USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -1:sc= -0.798 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -17:sc= 0.379 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.947 K(o=-0.95,f=-2.6) USER MOD Single : A 34 SER OG : rot -170:sc= -0.332 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 130:sc= -0.0439 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0283) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.837) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.57 F(o=-1.7!,f=-0.57) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 62 TYR OH : rot 9:sc= -1.64! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= -0.0992 (180deg=-0.763) USER MOD Single : A 76 CYS SG : rot -44:sc= 0.103 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.74! C(o=-2.7!,f=-6.9!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.792 USER MOD Single : A 91 LYS NZ :NH3+ -122:sc= -0.0967 (180deg=-1.29!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 143:sc= 0.279 (180deg=0.00424) USER MOD Single : A 103 THR OG1 : rot 75:sc= 0.548 USER MOD Single : A 105 HIS :FLIP no HD1:sc= -1.33 F(o=-1.8,f=-1.3) USER MOD Single : A 117 ASN : amide:sc= -0.739 X(o=-0.74,f=-1.1) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 CYS SG : rot 72:sc= -1.36 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.328 18.685 4.863 1.00 0.00 N ATOM 60 CA GLY A 7 1.301 17.762 5.416 1.00 0.00 C ATOM 61 C GLY A 7 0.698 16.838 6.456 1.00 0.00 C ATOM 62 O GLY A 7 0.622 15.628 6.250 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.731 17.166 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.118 18.326 5.866 1.00 0.00 H new ATOM 66 N ASN A 8 0.270 17.410 7.577 1.00 0.00 N ATOM 67 CA ASN A 8 -0.327 16.629 8.654 1.00 0.00 C ATOM 68 C ASN A 8 -1.430 15.720 8.120 1.00 0.00 C ATOM 69 O ASN A 8 -1.440 14.517 8.381 1.00 0.00 O ATOM 70 CB ASN A 8 -0.892 17.557 9.732 1.00 0.00 C ATOM 71 CG ASN A 8 -1.653 16.801 10.804 1.00 0.00 C ATOM 72 OD1 ASN A 8 -2.875 16.672 10.740 1.00 0.00 O ATOM 73 ND2 ASN A 8 -0.930 16.297 11.798 1.00 0.00 N ATOM 0 H ASN A 8 0.326 18.411 7.763 1.00 0.00 H new ATOM 0 HA ASN A 8 0.452 16.006 9.093 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.076 18.113 10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.554 18.288 9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.386 15.779 12.549 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.081 16.428 11.810 1.00 0.00 H new ATOM 80 N THR A 9 -2.359 16.304 7.369 1.00 0.00 N ATOM 81 CA THR A 9 -3.466 15.548 6.798 1.00 0.00 C ATOM 82 C THR A 9 -2.995 14.200 6.265 1.00 0.00 C ATOM 83 O THR A 9 -3.539 13.155 6.623 1.00 0.00 O ATOM 84 CB THR A 9 -4.150 16.328 5.659 1.00 0.00 C ATOM 85 OG1 THR A 9 -4.550 17.622 6.122 1.00 0.00 O ATOM 86 CG2 THR A 9 -5.364 15.572 5.139 1.00 0.00 C ATOM 0 H THR A 9 -2.366 17.298 7.142 1.00 0.00 H new ATOM 0 HA THR A 9 -4.185 15.386 7.601 1.00 0.00 H new ATOM 0 HB THR A 9 -3.435 16.440 4.844 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.982 18.112 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.831 16.142 4.335 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.052 14.599 4.760 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.080 15.433 5.949 1.00 0.00 H new ATOM 94 N LEU A 10 -1.981 14.230 5.408 1.00 0.00 N ATOM 95 CA LEU A 10 -1.435 13.009 4.825 1.00 0.00 C ATOM 96 C LEU A 10 -0.801 12.130 5.898 1.00 0.00 C ATOM 97 O LEU A 10 -1.004 10.916 5.919 1.00 0.00 O ATOM 98 CB LEU A 10 -0.399 13.351 3.752 1.00 0.00 C ATOM 99 CG LEU A 10 -0.923 14.106 2.530 1.00 0.00 C ATOM 100 CD1 LEU A 10 0.231 14.648 1.702 1.00 0.00 C ATOM 101 CD2 LEU A 10 -1.810 13.202 1.685 1.00 0.00 C ATOM 0 H LEU A 10 -1.520 15.086 5.101 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.255 12.457 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.388 13.948 4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.062 12.424 3.411 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.521 14.949 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.161 15.182 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.826 15.329 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.857 13.822 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.174 13.756 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.235 12.340 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.657 12.863 2.281 1.00 0.00 H new ATOM 113 N ARG A 11 -0.035 12.752 6.789 1.00 0.00 N ATOM 114 CA ARG A 11 0.628 12.026 7.865 1.00 0.00 C ATOM 115 C ARG A 11 -0.339 11.061 8.546 1.00 0.00 C ATOM 116 O ARG A 11 -0.031 9.884 8.727 1.00 0.00 O ATOM 117 CB ARG A 11 1.198 13.004 8.894 1.00 0.00 C ATOM 118 CG ARG A 11 1.900 12.325 10.058 1.00 0.00 C ATOM 119 CD ARG A 11 3.368 12.070 9.752 1.00 0.00 C ATOM 120 NE ARG A 11 4.114 13.314 9.578 1.00 0.00 N ATOM 121 CZ ARG A 11 5.431 13.407 9.725 1.00 0.00 C ATOM 122 NH1 ARG A 11 6.143 12.336 10.046 1.00 0.00 N ATOM 123 NH2 ARG A 11 6.038 14.574 9.550 1.00 0.00 N ATOM 0 H ARG A 11 0.141 13.757 6.787 1.00 0.00 H new ATOM 0 HA ARG A 11 1.445 11.449 7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.901 13.672 8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.389 13.624 9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.816 12.948 10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.405 11.380 10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.812 11.491 10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.451 11.468 8.847 1.00 0.00 H new ATOM 0 HE ARG A 11 3.596 14.157 9.330 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.680 11.437 10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.154 12.411 10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.493 15.400 9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.049 14.645 9.663 1.00 0.00 H new ATOM 137 N GLU A 12 -1.508 11.571 8.922 1.00 0.00 N ATOM 138 CA GLU A 12 -2.518 10.754 9.585 1.00 0.00 C ATOM 139 C GLU A 12 -2.921 9.571 8.710 1.00 0.00 C ATOM 140 O GLU A 12 -3.105 8.456 9.199 1.00 0.00 O ATOM 141 CB GLU A 12 -3.750 11.599 9.918 1.00 0.00 C ATOM 142 CG GLU A 12 -3.665 12.293 11.267 1.00 0.00 C ATOM 143 CD GLU A 12 -5.028 12.548 11.879 1.00 0.00 C ATOM 144 OE1 GLU A 12 -5.896 13.112 11.181 1.00 0.00 O ATOM 145 OE2 GLU A 12 -5.227 12.184 13.057 1.00 0.00 O ATOM 0 H GLU A 12 -1.779 12.544 8.779 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.088 10.370 10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.886 12.350 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.633 10.960 9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.073 11.682 11.949 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.140 13.241 11.151 1.00 0.00 H new ATOM 152 N LEU A 13 -3.057 9.822 7.412 1.00 0.00 N ATOM 153 CA LEU A 13 -3.439 8.778 6.467 1.00 0.00 C ATOM 154 C LEU A 13 -2.374 7.688 6.400 1.00 0.00 C ATOM 155 O LEU A 13 -2.647 6.522 6.687 1.00 0.00 O ATOM 156 CB LEU A 13 -3.659 9.378 5.077 1.00 0.00 C ATOM 157 CG LEU A 13 -4.362 8.477 4.061 1.00 0.00 C ATOM 158 CD1 LEU A 13 -5.872 8.593 4.200 1.00 0.00 C ATOM 159 CD2 LEU A 13 -3.927 8.827 2.646 1.00 0.00 C ATOM 0 H LEU A 13 -2.909 10.739 6.990 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.370 8.330 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.242 10.293 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.690 9.664 4.669 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.077 7.444 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.356 7.945 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.169 8.292 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.175 9.625 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.438 8.176 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.182 9.865 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.850 8.691 2.553 1.00 0.00 H new ATOM 171 N ARG A 14 -1.160 8.076 6.023 1.00 0.00 N ATOM 172 CA ARG A 14 -0.054 7.131 5.920 1.00 0.00 C ATOM 173 C ARG A 14 -0.135 6.077 7.020 1.00 0.00 C ATOM 174 O ARG A 14 -0.075 4.877 6.750 1.00 0.00 O ATOM 175 CB ARG A 14 1.283 7.869 6.002 1.00 0.00 C ATOM 176 CG ARG A 14 1.752 8.432 4.671 1.00 0.00 C ATOM 177 CD ARG A 14 3.192 8.913 4.745 1.00 0.00 C ATOM 178 NE ARG A 14 3.321 10.135 5.535 1.00 0.00 N ATOM 179 CZ ARG A 14 2.916 11.328 5.115 1.00 0.00 C ATOM 180 NH1 ARG A 14 2.359 11.460 3.919 1.00 0.00 N ATOM 181 NH2 ARG A 14 3.067 12.393 5.893 1.00 0.00 N ATOM 0 H ARG A 14 -0.917 9.037 5.784 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.126 6.629 4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.195 8.684 6.720 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.042 7.187 6.386 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.662 7.667 3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.106 9.259 4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.813 8.131 5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.567 9.092 3.737 1.00 0.00 H new ATOM 0 HE ARG A 14 3.745 10.068 6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.241 10.644 3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.049 12.378 3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.494 12.295 6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.756 13.309 5.570 1.00 0.00 H new ATOM 195 N LEU A 15 -0.271 6.534 8.260 1.00 0.00 N ATOM 196 CA LEU A 15 -0.360 5.630 9.402 1.00 0.00 C ATOM 197 C LEU A 15 -1.646 4.812 9.351 1.00 0.00 C ATOM 198 O LEU A 15 -1.623 3.590 9.501 1.00 0.00 O ATOM 199 CB LEU A 15 -0.298 6.422 10.710 1.00 0.00 C ATOM 200 CG LEU A 15 1.025 7.129 11.004 1.00 0.00 C ATOM 201 CD1 LEU A 15 0.884 8.048 12.207 1.00 0.00 C ATOM 202 CD2 LEU A 15 2.134 6.112 11.234 1.00 0.00 C ATOM 0 H LEU A 15 -0.322 7.524 8.500 1.00 0.00 H new ATOM 0 HA LEU A 15 0.486 4.945 9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.091 7.169 10.697 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.514 5.742 11.534 1.00 0.00 H new ATOM 0 HG LEU A 15 1.290 7.736 10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.836 8.542 12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.120 8.799 12.004 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.595 7.463 13.080 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.068 6.633 11.442 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.876 5.478 12.082 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.253 5.496 10.343 1.00 0.00 H new ATOM 214 N PHE A 16 -2.767 5.493 9.136 1.00 0.00 N ATOM 215 CA PHE A 16 -4.063 4.829 9.063 1.00 0.00 C ATOM 216 C PHE A 16 -4.017 3.650 8.096 1.00 0.00 C ATOM 217 O PHE A 16 -4.433 2.540 8.431 1.00 0.00 O ATOM 218 CB PHE A 16 -5.144 5.820 8.625 1.00 0.00 C ATOM 219 CG PHE A 16 -6.324 5.167 7.964 1.00 0.00 C ATOM 220 CD1 PHE A 16 -7.001 4.134 8.591 1.00 0.00 C ATOM 221 CD2 PHE A 16 -6.756 5.588 6.717 1.00 0.00 C ATOM 222 CE1 PHE A 16 -8.086 3.530 7.985 1.00 0.00 C ATOM 223 CE2 PHE A 16 -7.842 4.988 6.106 1.00 0.00 C ATOM 224 CZ PHE A 16 -8.508 3.959 6.741 1.00 0.00 C ATOM 0 H PHE A 16 -2.804 6.504 9.009 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.306 4.452 10.056 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.488 6.378 9.496 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.706 6.542 7.936 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.677 3.797 9.565 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.239 6.393 6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.604 2.724 8.483 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.169 5.324 5.133 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.357 3.490 6.266 1.00 0.00 H new ATOM 234 N LEU A 17 -3.508 3.898 6.894 1.00 0.00 N ATOM 235 CA LEU A 17 -3.406 2.858 5.877 1.00 0.00 C ATOM 236 C LEU A 17 -2.424 1.772 6.303 1.00 0.00 C ATOM 237 O LEU A 17 -2.807 0.621 6.510 1.00 0.00 O ATOM 238 CB LEU A 17 -2.968 3.463 4.542 1.00 0.00 C ATOM 239 CG LEU A 17 -3.927 4.476 3.917 1.00 0.00 C ATOM 240 CD1 LEU A 17 -3.282 5.153 2.717 1.00 0.00 C ATOM 241 CD2 LEU A 17 -5.229 3.799 3.513 1.00 0.00 C ATOM 0 H LEU A 17 -3.160 4.811 6.600 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.390 2.405 5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.002 3.948 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.815 2.651 3.831 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.153 5.240 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.980 5.871 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.378 5.672 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.026 4.402 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.900 4.535 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.021 3.014 2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.700 3.362 4.393 1.00 0.00 H new ATOM 253 N ARG A 18 -1.156 2.148 6.436 1.00 0.00 N ATOM 254 CA ARG A 18 -0.118 1.207 6.839 1.00 0.00 C ATOM 255 C ARG A 18 -0.611 0.304 7.966 1.00 0.00 C ATOM 256 O ARG A 18 -0.472 -0.917 7.902 1.00 0.00 O ATOM 257 CB ARG A 18 1.137 1.959 7.286 1.00 0.00 C ATOM 258 CG ARG A 18 2.425 1.184 7.059 1.00 0.00 C ATOM 259 CD ARG A 18 3.648 2.051 7.314 1.00 0.00 C ATOM 260 NE ARG A 18 4.887 1.368 6.952 1.00 0.00 N ATOM 261 CZ ARG A 18 6.065 1.976 6.869 1.00 0.00 C ATOM 262 NH1 ARG A 18 6.163 3.275 7.120 1.00 0.00 N ATOM 263 NH2 ARG A 18 7.148 1.286 6.534 1.00 0.00 N ATOM 0 H ARG A 18 -0.823 3.098 6.270 1.00 0.00 H new ATOM 0 HA ARG A 18 0.127 0.585 5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.193 2.906 6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.049 2.198 8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.449 0.316 7.717 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.450 0.809 6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.563 2.975 6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.682 2.330 8.367 1.00 0.00 H new ATOM 0 HE ARG A 18 4.845 0.369 6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.333 3.809 7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.069 3.740 7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.077 0.287 6.340 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.052 1.754 6.471 1.00 0.00 H new ATOM 277 N ASP A 19 -1.187 0.914 8.997 1.00 0.00 N ATOM 278 CA ASP A 19 -1.701 0.166 10.138 1.00 0.00 C ATOM 279 C ASP A 19 -2.637 -0.949 9.680 1.00 0.00 C ATOM 280 O ASP A 19 -2.631 -2.046 10.237 1.00 0.00 O ATOM 281 CB ASP A 19 -2.435 1.101 11.099 1.00 0.00 C ATOM 282 CG ASP A 19 -2.462 0.568 12.518 1.00 0.00 C ATOM 283 OD1 ASP A 19 -1.433 0.022 12.966 1.00 0.00 O ATOM 284 OD2 ASP A 19 -3.513 0.697 13.181 1.00 0.00 O ATOM 0 H ASP A 19 -1.309 1.924 9.065 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.855 -0.284 10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.952 2.078 11.090 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.457 1.247 10.749 1.00 0.00 H new ATOM 289 N VAL A 20 -3.440 -0.659 8.661 1.00 0.00 N ATOM 290 CA VAL A 20 -4.381 -1.637 8.128 1.00 0.00 C ATOM 291 C VAL A 20 -3.651 -2.780 7.433 1.00 0.00 C ATOM 292 O VAL A 20 -3.724 -3.932 7.863 1.00 0.00 O ATOM 293 CB VAL A 20 -5.361 -0.987 7.132 1.00 0.00 C ATOM 294 CG1 VAL A 20 -6.284 -2.036 6.530 1.00 0.00 C ATOM 295 CG2 VAL A 20 -6.162 0.112 7.813 1.00 0.00 C ATOM 0 H VAL A 20 -3.458 0.245 8.188 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.943 -2.031 8.975 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.785 -0.537 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.969 -1.559 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.691 -2.784 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.855 -2.517 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.849 0.560 7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.729 -0.311 8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.483 0.876 8.191 1.00 0.00 H new ATOM 305 N THR A 21 -2.945 -2.456 6.354 1.00 0.00 N ATOM 306 CA THR A 21 -2.201 -3.456 5.598 1.00 0.00 C ATOM 307 C THR A 21 -1.316 -4.292 6.515 1.00 0.00 C ATOM 308 O THR A 21 -1.309 -5.521 6.438 1.00 0.00 O ATOM 309 CB THR A 21 -1.325 -2.803 4.513 1.00 0.00 C ATOM 310 OG1 THR A 21 -2.146 -2.076 3.592 1.00 0.00 O ATOM 311 CG2 THR A 21 -0.520 -3.853 3.763 1.00 0.00 C ATOM 0 H THR A 21 -2.873 -1.508 5.984 1.00 0.00 H new ATOM 0 HA THR A 21 -2.937 -4.102 5.120 1.00 0.00 H new ATOM 0 HB THR A 21 -0.632 -2.117 5.001 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.088 -2.176 3.844 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.091 -3.368 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.126 -4.384 4.462 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.199 -4.560 3.287 1.00 0.00 H new ATOM 319 N LYS A 22 -0.570 -3.619 7.385 1.00 0.00 N ATOM 320 CA LYS A 22 0.319 -4.299 8.319 1.00 0.00 C ATOM 321 C LYS A 22 -0.389 -5.473 8.987 1.00 0.00 C ATOM 322 O LYS A 22 0.100 -6.602 8.960 1.00 0.00 O ATOM 323 CB LYS A 22 0.820 -3.320 9.383 1.00 0.00 C ATOM 324 CG LYS A 22 1.656 -3.976 10.468 1.00 0.00 C ATOM 325 CD LYS A 22 1.856 -3.049 11.656 1.00 0.00 C ATOM 326 CE LYS A 22 0.605 -2.971 12.518 1.00 0.00 C ATOM 327 NZ LYS A 22 0.525 -4.104 13.482 1.00 0.00 N ATOM 0 H LYS A 22 -0.564 -2.602 7.462 1.00 0.00 H new ATOM 0 HA LYS A 22 1.171 -4.683 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.412 -2.543 8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.036 -2.828 9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.169 -4.893 10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.626 -4.260 10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.693 -3.403 12.258 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.118 -2.052 11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.599 -2.028 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.278 -2.975 11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.341 -4.015 14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.506 -5.003 12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.355 -4.086 14.109 1.00 0.00 H new ATOM 341 N ARG A 23 -1.545 -5.200 9.584 1.00 0.00 N ATOM 342 CA ARG A 23 -2.320 -6.234 10.258 1.00 0.00 C ATOM 343 C ARG A 23 -2.596 -7.405 9.320 1.00 0.00 C ATOM 344 O ARG A 23 -2.351 -8.562 9.665 1.00 0.00 O ATOM 345 CB ARG A 23 -3.640 -5.657 10.774 1.00 0.00 C ATOM 346 CG ARG A 23 -4.245 -6.451 11.920 1.00 0.00 C ATOM 347 CD ARG A 23 -5.430 -5.724 12.536 1.00 0.00 C ATOM 348 NE ARG A 23 -5.046 -4.434 13.104 1.00 0.00 N ATOM 349 CZ ARG A 23 -5.753 -3.800 14.033 1.00 0.00 C ATOM 350 NH1 ARG A 23 -6.875 -4.334 14.496 1.00 0.00 N ATOM 351 NH2 ARG A 23 -5.339 -2.630 14.500 1.00 0.00 N ATOM 0 H ARG A 23 -1.965 -4.271 9.614 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.736 -6.598 11.103 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.475 -4.631 11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.355 -5.618 9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.564 -7.428 11.558 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.487 -6.626 12.683 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.197 -5.572 11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.872 -6.346 13.315 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.188 -3.996 12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.197 -5.234 14.139 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.416 -3.845 15.209 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.477 -2.216 14.146 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.883 -2.144 15.213 1.00 0.00 H new ATOM 365 N LEU A 24 -3.107 -7.097 8.133 1.00 0.00 N ATOM 366 CA LEU A 24 -3.418 -8.124 7.144 1.00 0.00 C ATOM 367 C LEU A 24 -2.226 -9.052 6.930 1.00 0.00 C ATOM 368 O LEU A 24 -2.327 -10.262 7.127 1.00 0.00 O ATOM 369 CB LEU A 24 -3.819 -7.477 5.817 1.00 0.00 C ATOM 370 CG LEU A 24 -5.015 -6.526 5.869 1.00 0.00 C ATOM 371 CD1 LEU A 24 -5.248 -5.886 4.509 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.263 -7.262 6.335 1.00 0.00 C ATOM 0 H LEU A 24 -3.315 -6.145 7.832 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.253 -8.715 7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.961 -6.928 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.041 -8.269 5.102 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.795 -5.736 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.103 -5.212 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.362 -5.323 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.446 -6.663 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.104 -6.569 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.487 -8.074 5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.093 -7.671 7.331 1.00 0.00 H new ATOM 384 N ALA A 25 -1.098 -8.475 6.529 1.00 0.00 N ATOM 385 CA ALA A 25 0.114 -9.250 6.293 1.00 0.00 C ATOM 386 C ALA A 25 0.495 -10.062 7.526 1.00 0.00 C ATOM 387 O ALA A 25 0.581 -11.290 7.472 1.00 0.00 O ATOM 388 CB ALA A 25 1.258 -8.330 5.891 1.00 0.00 C ATOM 0 H ALA A 25 -0.998 -7.474 6.361 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.082 -9.946 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.157 -8.922 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.993 -7.797 4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.445 -7.611 6.689 1.00 0.00 H new ATOM 394 N THR A 26 0.724 -9.370 8.638 1.00 0.00 N ATOM 395 CA THR A 26 1.097 -10.028 9.884 1.00 0.00 C ATOM 396 C THR A 26 0.219 -11.245 10.148 1.00 0.00 C ATOM 397 O THR A 26 0.715 -12.315 10.503 1.00 0.00 O ATOM 398 CB THR A 26 0.992 -9.064 11.081 1.00 0.00 C ATOM 399 OG1 THR A 26 -0.337 -8.537 11.171 1.00 0.00 O ATOM 400 CG2 THR A 26 1.987 -7.922 10.945 1.00 0.00 C ATOM 0 H THR A 26 0.658 -8.354 8.701 1.00 0.00 H new ATOM 0 HA THR A 26 2.133 -10.348 9.774 1.00 0.00 H new ATOM 0 HB THR A 26 1.224 -9.621 11.989 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.804 -8.679 10.321 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.894 -7.255 11.802 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.999 -8.324 10.906 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.782 -7.368 10.029 1.00 0.00 H new ATOM 408 N ASP A 27 -1.086 -11.077 9.971 1.00 0.00 N ATOM 409 CA ASP A 27 -2.034 -12.164 10.189 1.00 0.00 C ATOM 410 C ASP A 27 -1.761 -13.322 9.234 1.00 0.00 C ATOM 411 O ASP A 27 -1.541 -13.117 8.040 1.00 0.00 O ATOM 412 CB ASP A 27 -3.468 -11.663 10.007 1.00 0.00 C ATOM 413 CG ASP A 27 -3.977 -10.911 11.221 1.00 0.00 C ATOM 414 OD1 ASP A 27 -4.292 -11.568 12.236 1.00 0.00 O ATOM 415 OD2 ASP A 27 -4.060 -9.667 11.157 1.00 0.00 O ATOM 0 H ASP A 27 -1.512 -10.198 9.677 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.910 -12.522 11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.514 -11.012 9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.123 -12.511 9.807 1.00 0.00 H new ATOM 420 N LYS A 28 -1.777 -14.538 9.767 1.00 0.00 N ATOM 421 CA LYS A 28 -1.532 -15.730 8.964 1.00 0.00 C ATOM 422 C LYS A 28 -2.598 -15.887 7.884 1.00 0.00 C ATOM 423 O LYS A 28 -2.330 -16.420 6.807 1.00 0.00 O ATOM 424 CB LYS A 28 -1.506 -16.974 9.854 1.00 0.00 C ATOM 425 CG LYS A 28 -1.262 -18.264 9.090 1.00 0.00 C ATOM 426 CD LYS A 28 0.188 -18.387 8.651 1.00 0.00 C ATOM 427 CE LYS A 28 1.054 -18.985 9.749 1.00 0.00 C ATOM 428 NZ LYS A 28 1.034 -20.474 9.722 1.00 0.00 N ATOM 0 H LYS A 28 -1.957 -14.725 10.753 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.562 -15.618 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.727 -16.855 10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.455 -17.050 10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.526 -19.115 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.912 -18.299 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.248 -19.011 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.571 -17.404 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.079 -18.633 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.703 -18.635 10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.636 -20.843 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.059 -20.811 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.393 -20.809 8.805 1.00 0.00 H new ATOM 442 N ARG A 29 -3.806 -15.418 8.179 1.00 0.00 N ATOM 443 CA ARG A 29 -4.912 -15.506 7.233 1.00 0.00 C ATOM 444 C ARG A 29 -4.556 -14.823 5.916 1.00 0.00 C ATOM 445 O ARG A 29 -4.796 -15.367 4.838 1.00 0.00 O ATOM 446 CB ARG A 29 -6.170 -14.870 7.826 1.00 0.00 C ATOM 447 CG ARG A 29 -7.393 -14.990 6.931 1.00 0.00 C ATOM 448 CD ARG A 29 -8.652 -14.520 7.643 1.00 0.00 C ATOM 449 NE ARG A 29 -8.977 -15.360 8.792 1.00 0.00 N ATOM 450 CZ ARG A 29 -9.997 -15.124 9.610 1.00 0.00 C ATOM 451 NH1 ARG A 29 -10.787 -14.079 9.406 1.00 0.00 N ATOM 452 NH2 ARG A 29 -10.229 -15.935 10.635 1.00 0.00 N ATOM 0 H ARG A 29 -4.044 -14.973 9.066 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.105 -16.560 7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.386 -15.338 8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.976 -13.816 8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.243 -14.400 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.516 -16.027 6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.518 -13.490 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.487 -14.524 6.943 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.389 -16.173 8.977 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.613 -13.454 8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.569 -13.900 10.036 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.624 -16.740 10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.012 -15.753 11.262 1.00 0.00 H new ATOM 466 N PHE A 30 -3.983 -13.628 6.011 1.00 0.00 N ATOM 467 CA PHE A 30 -3.595 -12.870 4.827 1.00 0.00 C ATOM 468 C PHE A 30 -2.084 -12.665 4.783 1.00 0.00 C ATOM 469 O PHE A 30 -1.603 -11.543 4.624 1.00 0.00 O ATOM 470 CB PHE A 30 -4.306 -11.515 4.807 1.00 0.00 C ATOM 471 CG PHE A 30 -5.772 -11.603 5.121 1.00 0.00 C ATOM 472 CD1 PHE A 30 -6.609 -12.408 4.365 1.00 0.00 C ATOM 473 CD2 PHE A 30 -6.314 -10.880 6.171 1.00 0.00 C ATOM 474 CE1 PHE A 30 -7.958 -12.492 4.650 1.00 0.00 C ATOM 475 CE2 PHE A 30 -7.663 -10.960 6.462 1.00 0.00 C ATOM 476 CZ PHE A 30 -8.486 -11.766 5.700 1.00 0.00 C ATOM 0 H PHE A 30 -3.777 -13.163 6.895 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.892 -13.441 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.827 -10.852 5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.180 -11.062 3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.201 -12.977 3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.675 -10.247 6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.599 -13.124 4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.073 -10.393 7.284 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.541 -11.829 5.925 1.00 0.00 H new ATOM 486 N ASN A 31 -1.340 -13.757 4.925 1.00 0.00 N ATOM 487 CA ASN A 31 0.117 -13.698 4.903 1.00 0.00 C ATOM 488 C ASN A 31 0.658 -14.121 3.541 1.00 0.00 C ATOM 489 O ASN A 31 1.601 -13.521 3.023 1.00 0.00 O ATOM 490 CB ASN A 31 0.702 -14.594 5.997 1.00 0.00 C ATOM 491 CG ASN A 31 0.773 -16.049 5.575 1.00 0.00 C ATOM 492 OD1 ASN A 31 -0.250 -16.679 5.305 1.00 0.00 O ATOM 493 ND2 ASN A 31 1.984 -16.589 5.518 1.00 0.00 N ATOM 0 H ASN A 31 -1.722 -14.694 5.057 1.00 0.00 H new ATOM 0 HA ASN A 31 0.416 -12.667 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.702 -14.244 6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.093 -14.509 6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.095 -17.565 5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.804 -16.028 5.751 1.00 0.00 H new ATOM 500 N ILE A 32 0.055 -15.155 2.966 1.00 0.00 N ATOM 501 CA ILE A 32 0.475 -15.657 1.663 1.00 0.00 C ATOM 502 C ILE A 32 0.640 -14.518 0.663 1.00 0.00 C ATOM 503 O ILE A 32 1.353 -14.650 -0.333 1.00 0.00 O ATOM 504 CB ILE A 32 -0.532 -16.677 1.101 1.00 0.00 C ATOM 505 CG1 ILE A 32 -1.888 -16.010 0.862 1.00 0.00 C ATOM 506 CG2 ILE A 32 -0.677 -17.857 2.051 1.00 0.00 C ATOM 507 CD1 ILE A 32 -2.677 -16.633 -0.268 1.00 0.00 C ATOM 0 H ILE A 32 -0.726 -15.662 3.381 1.00 0.00 H new ATOM 0 HA ILE A 32 1.436 -16.151 1.810 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.157 -17.047 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.477 -16.063 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.731 -14.953 0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.392 -18.569 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.290 -18.345 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.033 -17.503 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.627 -16.110 -0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.108 -16.556 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.866 -17.683 -0.044 1.00 0.00 H new ATOM 519 N PHE A 33 -0.023 -13.399 0.934 1.00 0.00 N ATOM 520 CA PHE A 33 0.050 -12.235 0.058 1.00 0.00 C ATOM 521 C PHE A 33 1.305 -11.416 0.346 1.00 0.00 C ATOM 522 O PHE A 33 1.956 -10.914 -0.571 1.00 0.00 O ATOM 523 CB PHE A 33 -1.194 -11.361 0.231 1.00 0.00 C ATOM 524 CG PHE A 33 -2.482 -12.102 0.012 1.00 0.00 C ATOM 525 CD1 PHE A 33 -3.020 -12.221 -1.259 1.00 0.00 C ATOM 526 CD2 PHE A 33 -3.155 -12.678 1.077 1.00 0.00 C ATOM 527 CE1 PHE A 33 -4.205 -12.902 -1.464 1.00 0.00 C ATOM 528 CE2 PHE A 33 -4.340 -13.360 0.878 1.00 0.00 C ATOM 529 CZ PHE A 33 -4.866 -13.472 -0.394 1.00 0.00 C ATOM 0 H PHE A 33 -0.617 -13.273 1.753 1.00 0.00 H new ATOM 0 HA PHE A 33 0.096 -12.589 -0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.194 -10.937 1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.141 -10.526 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.508 -11.776 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.749 -12.593 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.614 -12.988 -2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.855 -13.805 1.717 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.792 -14.004 -0.552 1.00 0.00 H new ATOM 539 N SER A 34 1.639 -11.285 1.626 1.00 0.00 N ATOM 540 CA SER A 34 2.813 -10.523 2.036 1.00 0.00 C ATOM 541 C SER A 34 4.024 -10.892 1.184 1.00 0.00 C ATOM 542 O SER A 34 4.862 -10.044 0.876 1.00 0.00 O ATOM 543 CB SER A 34 3.119 -10.774 3.514 1.00 0.00 C ATOM 544 OG SER A 34 3.747 -9.648 4.102 1.00 0.00 O ATOM 0 H SER A 34 1.113 -11.697 2.397 1.00 0.00 H new ATOM 0 HA SER A 34 2.598 -9.464 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.195 -10.999 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.764 -11.647 3.612 1.00 0.00 H new ATOM 0 HG SER A 34 4.074 -9.885 4.995 1.00 0.00 H new ATOM 550 N LYS A 35 4.109 -12.163 0.807 1.00 0.00 N ATOM 551 CA LYS A 35 5.216 -12.646 -0.010 1.00 0.00 C ATOM 552 C LYS A 35 4.730 -13.056 -1.396 1.00 0.00 C ATOM 553 O LYS A 35 3.543 -13.296 -1.619 1.00 0.00 O ATOM 554 CB LYS A 35 5.901 -13.832 0.673 1.00 0.00 C ATOM 555 CG LYS A 35 7.034 -13.429 1.601 1.00 0.00 C ATOM 556 CD LYS A 35 7.549 -14.614 2.401 1.00 0.00 C ATOM 557 CE LYS A 35 8.388 -14.163 3.587 1.00 0.00 C ATOM 558 NZ LYS A 35 9.079 -15.307 4.243 1.00 0.00 N ATOM 0 H LYS A 35 3.424 -12.878 1.054 1.00 0.00 H new ATOM 0 HA LYS A 35 5.934 -11.834 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.158 -14.391 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.290 -14.505 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.849 -13.001 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.688 -12.652 2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.707 -15.209 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.146 -15.258 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.127 -13.435 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.750 -13.659 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.640 -14.959 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.373 -15.990 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.707 -15.772 3.557 1.00 0.00 H new ATOM 572 N PRO A 36 5.668 -13.140 -2.352 1.00 0.00 N ATOM 573 CA PRO A 36 5.358 -13.523 -3.733 1.00 0.00 C ATOM 574 C PRO A 36 4.965 -14.991 -3.853 1.00 0.00 C ATOM 575 O PRO A 36 5.808 -15.881 -3.746 1.00 0.00 O ATOM 576 CB PRO A 36 6.670 -13.258 -4.476 1.00 0.00 C ATOM 577 CG PRO A 36 7.726 -13.367 -3.431 1.00 0.00 C ATOM 578 CD PRO A 36 7.102 -12.868 -2.158 1.00 0.00 C ATOM 0 HA PRO A 36 4.508 -12.968 -4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.826 -13.984 -5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.671 -12.271 -4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.063 -14.398 -3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.600 -12.772 -3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.496 -13.390 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.293 -11.806 -2.006 1.00 0.00 H new ATOM 586 N VAL A 37 3.678 -15.237 -4.076 1.00 0.00 N ATOM 587 CA VAL A 37 3.172 -16.598 -4.213 1.00 0.00 C ATOM 588 C VAL A 37 3.428 -17.141 -5.614 1.00 0.00 C ATOM 589 O VAL A 37 2.510 -17.613 -6.285 1.00 0.00 O ATOM 590 CB VAL A 37 1.663 -16.669 -3.914 1.00 0.00 C ATOM 591 CG1 VAL A 37 1.381 -16.240 -2.482 1.00 0.00 C ATOM 592 CG2 VAL A 37 0.884 -15.811 -4.900 1.00 0.00 C ATOM 0 H VAL A 37 2.967 -14.512 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 37 3.707 -17.209 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 37 1.336 -17.702 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.310 -16.297 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.909 -16.900 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.722 -15.215 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.181 -15.873 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.213 -14.775 -4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.061 -16.170 -5.914 1.00 0.00 H new ATOM 602 N SER A 38 4.682 -17.072 -6.050 1.00 0.00 N ATOM 603 CA SER A 38 5.059 -17.554 -7.373 1.00 0.00 C ATOM 604 C SER A 38 6.525 -17.974 -7.401 1.00 0.00 C ATOM 605 O SER A 38 7.226 -17.888 -6.393 1.00 0.00 O ATOM 606 CB SER A 38 4.807 -16.471 -8.425 1.00 0.00 C ATOM 607 OG SER A 38 5.636 -15.344 -8.204 1.00 0.00 O ATOM 0 H SER A 38 5.454 -16.687 -5.506 1.00 0.00 H new ATOM 0 HA SER A 38 4.445 -18.425 -7.604 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.995 -16.875 -9.420 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.760 -16.168 -8.396 1.00 0.00 H new ATOM 0 HG SER A 38 6.089 -15.102 -9.039 1.00 0.00 H new ATOM 613 N ASP A 39 6.981 -18.429 -8.563 1.00 0.00 N ATOM 614 CA ASP A 39 8.365 -18.862 -8.725 1.00 0.00 C ATOM 615 C ASP A 39 9.167 -17.834 -9.516 1.00 0.00 C ATOM 616 O ASP A 39 10.307 -17.522 -9.172 1.00 0.00 O ATOM 617 CB ASP A 39 8.418 -20.220 -9.427 1.00 0.00 C ATOM 618 CG ASP A 39 9.837 -20.710 -9.633 1.00 0.00 C ATOM 619 OD1 ASP A 39 10.656 -20.564 -8.702 1.00 0.00 O ATOM 620 OD2 ASP A 39 10.130 -21.238 -10.726 1.00 0.00 O ATOM 0 H ASP A 39 6.413 -18.508 -9.407 1.00 0.00 H new ATOM 0 HA ASP A 39 8.809 -18.957 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.866 -20.952 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.918 -20.146 -10.393 1.00 0.00 H new ATOM 625 N TYR A 40 8.565 -17.312 -10.579 1.00 0.00 N ATOM 626 CA TYR A 40 9.224 -16.322 -11.422 1.00 0.00 C ATOM 627 C TYR A 40 8.607 -14.941 -11.225 1.00 0.00 C ATOM 628 O TYR A 40 7.385 -14.794 -11.186 1.00 0.00 O ATOM 629 CB TYR A 40 9.130 -16.730 -12.893 1.00 0.00 C ATOM 630 CG TYR A 40 10.413 -16.519 -13.664 1.00 0.00 C ATOM 631 CD1 TYR A 40 11.106 -15.316 -13.582 1.00 0.00 C ATOM 632 CD2 TYR A 40 10.934 -17.520 -14.475 1.00 0.00 C ATOM 633 CE1 TYR A 40 12.278 -15.118 -14.285 1.00 0.00 C ATOM 634 CE2 TYR A 40 12.106 -17.331 -15.180 1.00 0.00 C ATOM 635 CZ TYR A 40 12.775 -16.128 -15.082 1.00 0.00 C ATOM 636 OH TYR A 40 13.943 -15.935 -15.784 1.00 0.00 O ATOM 0 H TYR A 40 7.621 -17.558 -10.877 1.00 0.00 H new ATOM 0 HA TYR A 40 10.273 -16.276 -11.131 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.849 -17.782 -12.952 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.332 -16.160 -13.369 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.721 -14.523 -12.958 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.413 -18.463 -14.555 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.803 -14.177 -14.211 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.497 -18.120 -15.805 1.00 0.00 H new ATOM 0 HH TYR A 40 14.155 -16.744 -16.295 1.00 0.00 H new ATOM 646 N LEU A 41 9.461 -13.931 -11.102 1.00 0.00 N ATOM 647 CA LEU A 41 9.002 -12.560 -10.910 1.00 0.00 C ATOM 648 C LEU A 41 8.609 -11.926 -12.241 1.00 0.00 C ATOM 649 O LEU A 41 7.600 -11.227 -12.332 1.00 0.00 O ATOM 650 CB LEU A 41 10.092 -11.725 -10.236 1.00 0.00 C ATOM 651 CG LEU A 41 11.255 -11.293 -11.131 1.00 0.00 C ATOM 652 CD1 LEU A 41 10.894 -10.033 -11.902 1.00 0.00 C ATOM 653 CD2 LEU A 41 12.511 -11.071 -10.301 1.00 0.00 C ATOM 0 H LEU A 41 10.475 -14.036 -11.132 1.00 0.00 H new ATOM 0 HA LEU A 41 8.123 -12.584 -10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.630 -10.831 -9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.495 -12.297 -9.400 1.00 0.00 H new ATOM 0 HG LEU A 41 11.453 -12.089 -11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.733 -9.740 -12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.021 -10.225 -12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.670 -9.229 -11.201 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.329 -10.764 -10.953 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.325 -10.292 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.780 -11.997 -9.793 1.00 0.00 H new ATOM 665 N GLU A 42 9.412 -12.176 -13.270 1.00 0.00 N ATOM 666 CA GLU A 42 9.147 -11.630 -14.595 1.00 0.00 C ATOM 667 C GLU A 42 7.839 -12.178 -15.158 1.00 0.00 C ATOM 668 O GLU A 42 6.978 -11.422 -15.607 1.00 0.00 O ATOM 669 CB GLU A 42 10.301 -11.957 -15.546 1.00 0.00 C ATOM 670 CG GLU A 42 11.649 -11.445 -15.067 1.00 0.00 C ATOM 671 CD GLU A 42 11.779 -9.940 -15.192 1.00 0.00 C ATOM 672 OE1 GLU A 42 10.748 -9.243 -15.086 1.00 0.00 O ATOM 673 OE2 GLU A 42 12.913 -9.458 -15.396 1.00 0.00 O ATOM 0 H GLU A 42 10.251 -12.753 -13.211 1.00 0.00 H new ATOM 0 HA GLU A 42 9.057 -10.548 -14.502 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.358 -13.038 -15.676 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.086 -11.529 -16.525 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.794 -11.733 -14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.441 -11.923 -15.643 1.00 0.00 H new ATOM 680 N VAL A 43 7.697 -13.500 -15.130 1.00 0.00 N ATOM 681 CA VAL A 43 6.495 -14.151 -15.636 1.00 0.00 C ATOM 682 C VAL A 43 5.256 -13.304 -15.366 1.00 0.00 C ATOM 683 O VAL A 43 4.299 -13.322 -16.140 1.00 0.00 O ATOM 684 CB VAL A 43 6.301 -15.541 -15.003 1.00 0.00 C ATOM 685 CG1 VAL A 43 5.985 -15.414 -13.521 1.00 0.00 C ATOM 686 CG2 VAL A 43 5.203 -16.307 -15.726 1.00 0.00 C ATOM 0 H VAL A 43 8.400 -14.141 -14.762 1.00 0.00 H new ATOM 0 HA VAL A 43 6.626 -14.265 -16.712 1.00 0.00 H new ATOM 0 HB VAL A 43 7.231 -16.100 -15.105 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.851 -16.407 -13.091 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.807 -14.908 -13.016 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.070 -14.837 -13.392 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.079 -17.287 -15.265 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.267 -15.753 -15.657 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.475 -16.430 -16.774 1.00 0.00 H new ATOM 696 N ILE A 44 5.283 -12.562 -14.264 1.00 0.00 N ATOM 697 CA ILE A 44 4.162 -11.707 -13.892 1.00 0.00 C ATOM 698 C ILE A 44 4.254 -10.350 -14.582 1.00 0.00 C ATOM 699 O ILE A 44 5.305 -9.708 -14.576 1.00 0.00 O ATOM 700 CB ILE A 44 4.098 -11.493 -12.368 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.966 -12.836 -11.648 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.938 -10.577 -12.010 1.00 0.00 C ATOM 703 CD1 ILE A 44 4.593 -12.848 -10.271 1.00 0.00 C ATOM 0 H ILE A 44 6.068 -12.535 -13.613 1.00 0.00 H new ATOM 0 HA ILE A 44 3.255 -12.217 -14.217 1.00 0.00 H new ATOM 0 HB ILE A 44 5.024 -11.018 -12.043 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.910 -13.089 -11.559 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.430 -13.612 -12.256 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.906 -10.436 -10.930 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.072 -9.612 -12.499 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.003 -11.026 -12.345 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.461 -13.831 -9.820 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.657 -12.626 -10.354 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.113 -12.095 -9.646 1.00 0.00 H new ATOM 715 N LYS A 45 3.147 -9.917 -15.174 1.00 0.00 N ATOM 716 CA LYS A 45 3.100 -8.634 -15.866 1.00 0.00 C ATOM 717 C LYS A 45 2.995 -7.483 -14.871 1.00 0.00 C ATOM 718 O LYS A 45 3.800 -6.553 -14.898 1.00 0.00 O ATOM 719 CB LYS A 45 1.914 -8.596 -16.832 1.00 0.00 C ATOM 720 CG LYS A 45 2.198 -9.258 -18.170 1.00 0.00 C ATOM 721 CD LYS A 45 2.177 -10.773 -18.058 1.00 0.00 C ATOM 722 CE LYS A 45 2.354 -11.434 -19.416 1.00 0.00 C ATOM 723 NZ LYS A 45 3.716 -11.202 -19.973 1.00 0.00 N ATOM 0 H LYS A 45 2.269 -10.436 -15.189 1.00 0.00 H new ATOM 0 HA LYS A 45 4.025 -8.520 -16.431 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.061 -9.089 -16.366 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.628 -7.558 -17.003 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.456 -8.936 -18.901 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.171 -8.933 -18.539 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.971 -11.100 -17.386 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.233 -11.093 -17.616 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.177 -12.506 -19.324 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.607 -11.046 -20.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.825 -11.738 -20.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.845 -10.188 -20.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.430 -11.518 -19.287 1.00 0.00 H new ATOM 737 N GLU A 46 2.000 -7.554 -13.992 1.00 0.00 N ATOM 738 CA GLU A 46 1.792 -6.517 -12.988 1.00 0.00 C ATOM 739 C GLU A 46 1.875 -7.099 -11.580 1.00 0.00 C ATOM 740 O GLU A 46 0.864 -7.383 -10.938 1.00 0.00 O ATOM 741 CB GLU A 46 0.435 -5.842 -13.194 1.00 0.00 C ATOM 742 CG GLU A 46 0.385 -4.934 -14.412 1.00 0.00 C ATOM 743 CD GLU A 46 1.269 -3.711 -14.264 1.00 0.00 C ATOM 744 OE1 GLU A 46 1.235 -3.080 -13.188 1.00 0.00 O ATOM 745 OE2 GLU A 46 1.995 -3.385 -15.227 1.00 0.00 O ATOM 0 H GLU A 46 1.326 -8.318 -13.955 1.00 0.00 H new ATOM 0 HA GLU A 46 2.580 -5.773 -13.102 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.332 -6.610 -13.292 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.190 -5.259 -12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.694 -5.497 -15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.644 -4.616 -14.582 1.00 0.00 H new ATOM 752 N PRO A 47 3.109 -7.282 -11.087 1.00 0.00 N ATOM 753 CA PRO A 47 3.355 -7.831 -9.751 1.00 0.00 C ATOM 754 C PRO A 47 2.950 -6.865 -8.643 1.00 0.00 C ATOM 755 O PRO A 47 3.599 -5.841 -8.432 1.00 0.00 O ATOM 756 CB PRO A 47 4.868 -8.061 -9.734 1.00 0.00 C ATOM 757 CG PRO A 47 5.409 -7.091 -10.727 1.00 0.00 C ATOM 758 CD PRO A 47 4.360 -6.966 -11.797 1.00 0.00 C ATOM 0 HA PRO A 47 2.771 -8.733 -9.568 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.284 -7.886 -8.742 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.116 -9.087 -10.007 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.608 -6.126 -10.261 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.352 -7.444 -11.144 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.338 -5.963 -12.223 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.541 -7.658 -12.620 1.00 0.00 H new ATOM 766 N MET A 48 1.873 -7.197 -7.939 1.00 0.00 N ATOM 767 CA MET A 48 1.383 -6.357 -6.851 1.00 0.00 C ATOM 768 C MET A 48 1.102 -7.191 -5.605 1.00 0.00 C ATOM 769 O MET A 48 0.307 -8.131 -5.642 1.00 0.00 O ATOM 770 CB MET A 48 0.115 -5.617 -7.281 1.00 0.00 C ATOM 771 CG MET A 48 -0.357 -4.583 -6.271 1.00 0.00 C ATOM 772 SD MET A 48 0.945 -3.429 -5.800 1.00 0.00 S ATOM 773 CE MET A 48 1.061 -2.427 -7.280 1.00 0.00 C ATOM 0 H MET A 48 1.323 -8.041 -8.102 1.00 0.00 H new ATOM 0 HA MET A 48 2.157 -5.628 -6.611 1.00 0.00 H new ATOM 0 HB2 MET A 48 0.298 -5.123 -8.235 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.682 -6.343 -7.445 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.196 -4.027 -6.691 1.00 0.00 H new ATOM 0 HG3 MET A 48 -0.726 -5.092 -5.381 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.790 -1.631 -7.125 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.377 -3.050 -8.117 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.087 -1.989 -7.500 1.00 0.00 H new ATOM 783 N ASP A 49 1.758 -6.842 -4.505 1.00 0.00 N ATOM 784 CA ASP A 49 1.578 -7.558 -3.247 1.00 0.00 C ATOM 785 C ASP A 49 1.603 -6.595 -2.065 1.00 0.00 C ATOM 786 O ASP A 49 2.070 -5.461 -2.183 1.00 0.00 O ATOM 787 CB ASP A 49 2.667 -8.619 -3.079 1.00 0.00 C ATOM 788 CG ASP A 49 2.892 -9.423 -4.345 1.00 0.00 C ATOM 789 OD1 ASP A 49 1.957 -10.133 -4.770 1.00 0.00 O ATOM 790 OD2 ASP A 49 4.003 -9.342 -4.909 1.00 0.00 O ATOM 0 H ASP A 49 2.420 -6.067 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 49 0.605 -8.048 -3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.600 -8.135 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.391 -9.293 -2.268 1.00 0.00 H new ATOM 795 N LEU A 50 1.096 -7.052 -0.925 1.00 0.00 N ATOM 796 CA LEU A 50 1.059 -6.230 0.280 1.00 0.00 C ATOM 797 C LEU A 50 2.431 -5.629 0.572 1.00 0.00 C ATOM 798 O LEU A 50 2.535 -4.511 1.076 1.00 0.00 O ATOM 799 CB LEU A 50 0.590 -7.063 1.474 1.00 0.00 C ATOM 800 CG LEU A 50 -0.862 -7.539 1.431 1.00 0.00 C ATOM 801 CD1 LEU A 50 -1.049 -8.762 2.316 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.803 -6.422 1.857 1.00 0.00 C ATOM 0 H LEU A 50 0.705 -7.987 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 50 0.354 -5.415 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.236 -7.937 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.732 -6.474 2.380 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.102 -7.818 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.089 -9.087 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.403 -9.567 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.790 -8.510 3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.832 -6.779 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.563 -6.112 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.689 -5.573 1.182 1.00 0.00 H new ATOM 814 N SER A 51 3.480 -6.378 0.249 1.00 0.00 N ATOM 815 CA SER A 51 4.845 -5.920 0.478 1.00 0.00 C ATOM 816 C SER A 51 5.060 -4.532 -0.117 1.00 0.00 C ATOM 817 O SER A 51 5.249 -3.554 0.607 1.00 0.00 O ATOM 818 CB SER A 51 5.845 -6.907 -0.127 1.00 0.00 C ATOM 819 OG SER A 51 7.148 -6.696 0.390 1.00 0.00 O ATOM 0 H SER A 51 3.411 -7.304 -0.172 1.00 0.00 H new ATOM 0 HA SER A 51 5.007 -5.864 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.527 -7.928 0.086 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.859 -6.797 -1.211 1.00 0.00 H new ATOM 0 HG SER A 51 7.768 -7.341 -0.011 1.00 0.00 H new ATOM 825 N THR A 52 5.029 -4.453 -1.444 1.00 0.00 N ATOM 826 CA THR A 52 5.221 -3.186 -2.139 1.00 0.00 C ATOM 827 C THR A 52 4.237 -2.133 -1.643 1.00 0.00 C ATOM 828 O THR A 52 4.554 -0.944 -1.600 1.00 0.00 O ATOM 829 CB THR A 52 5.056 -3.350 -3.662 1.00 0.00 C ATOM 830 OG1 THR A 52 5.792 -2.331 -4.347 1.00 0.00 O ATOM 831 CG2 THR A 52 3.589 -3.277 -4.058 1.00 0.00 C ATOM 0 H THR A 52 4.873 -5.252 -2.059 1.00 0.00 H new ATOM 0 HA THR A 52 6.238 -2.859 -1.925 1.00 0.00 H new ATOM 0 HB THR A 52 5.444 -4.329 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.683 -2.443 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.497 -3.395 -5.138 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.037 -4.073 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.180 -2.311 -3.763 1.00 0.00 H new ATOM 839 N VAL A 53 3.041 -2.576 -1.269 1.00 0.00 N ATOM 840 CA VAL A 53 2.011 -1.671 -0.774 1.00 0.00 C ATOM 841 C VAL A 53 2.483 -0.929 0.471 1.00 0.00 C ATOM 842 O VAL A 53 2.307 0.284 0.587 1.00 0.00 O ATOM 843 CB VAL A 53 0.710 -2.428 -0.445 1.00 0.00 C ATOM 844 CG1 VAL A 53 -0.255 -1.527 0.311 1.00 0.00 C ATOM 845 CG2 VAL A 53 0.069 -2.963 -1.716 1.00 0.00 C ATOM 0 H VAL A 53 2.762 -3.556 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 53 1.813 -0.952 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 53 0.955 -3.276 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.168 -2.078 0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.208 -1.198 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.497 -0.658 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.849 -3.495 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.164 -2.133 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.759 -3.645 -2.212 1.00 0.00 H new ATOM 855 N ILE A 54 3.084 -1.665 1.400 1.00 0.00 N ATOM 856 CA ILE A 54 3.583 -1.076 2.636 1.00 0.00 C ATOM 857 C ILE A 54 4.736 -0.117 2.361 1.00 0.00 C ATOM 858 O ILE A 54 4.775 0.994 2.892 1.00 0.00 O ATOM 859 CB ILE A 54 4.055 -2.158 3.625 1.00 0.00 C ATOM 860 CG1 ILE A 54 2.904 -3.108 3.963 1.00 0.00 C ATOM 861 CG2 ILE A 54 4.607 -1.516 4.889 1.00 0.00 C ATOM 862 CD1 ILE A 54 3.325 -4.293 4.804 1.00 0.00 C ATOM 0 H ILE A 54 3.237 -2.670 1.320 1.00 0.00 H new ATOM 0 HA ILE A 54 2.754 -0.526 3.081 1.00 0.00 H new ATOM 0 HB ILE A 54 4.852 -2.735 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.130 -2.553 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.459 -3.470 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.936 -2.294 5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.452 -0.876 4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.829 -0.917 5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.458 -4.923 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.077 -4.871 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.743 -3.940 5.747 1.00 0.00 H new ATOM 874 N THR A 55 5.675 -0.552 1.527 1.00 0.00 N ATOM 875 CA THR A 55 6.829 0.267 1.180 1.00 0.00 C ATOM 876 C THR A 55 6.398 1.586 0.550 1.00 0.00 C ATOM 877 O THR A 55 6.862 2.656 0.945 1.00 0.00 O ATOM 878 CB THR A 55 7.770 -0.470 0.208 1.00 0.00 C ATOM 879 OG1 THR A 55 8.244 -1.681 0.807 1.00 0.00 O ATOM 880 CG2 THR A 55 8.951 0.410 -0.173 1.00 0.00 C ATOM 0 H THR A 55 5.659 -1.468 1.079 1.00 0.00 H new ATOM 0 HA THR A 55 7.363 0.469 2.108 1.00 0.00 H new ATOM 0 HB THR A 55 7.209 -0.709 -0.695 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.840 -2.144 0.182 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.602 -0.131 -0.860 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.588 1.317 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.511 0.676 0.724 1.00 0.00 H new ATOM 888 N LYS A 56 5.506 1.504 -0.432 1.00 0.00 N ATOM 889 CA LYS A 56 5.010 2.692 -1.117 1.00 0.00 C ATOM 890 C LYS A 56 4.551 3.746 -0.114 1.00 0.00 C ATOM 891 O LYS A 56 4.959 4.905 -0.189 1.00 0.00 O ATOM 892 CB LYS A 56 3.854 2.322 -2.049 1.00 0.00 C ATOM 893 CG LYS A 56 4.304 1.709 -3.363 1.00 0.00 C ATOM 894 CD LYS A 56 3.126 1.430 -4.282 1.00 0.00 C ATOM 895 CE LYS A 56 3.533 1.498 -5.746 1.00 0.00 C ATOM 896 NZ LYS A 56 4.183 0.237 -6.200 1.00 0.00 N ATOM 0 H LYS A 56 5.112 0.627 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 56 5.826 3.109 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.196 1.620 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.266 3.216 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.002 2.383 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.841 0.781 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.717 0.444 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.334 2.153 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.653 1.694 -6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.217 2.333 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.446 0.323 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.037 0.063 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.521 -0.557 -6.082 1.00 0.00 H new ATOM 910 N ILE A 57 3.703 3.335 0.823 1.00 0.00 N ATOM 911 CA ILE A 57 3.192 4.244 1.841 1.00 0.00 C ATOM 912 C ILE A 57 4.318 5.066 2.459 1.00 0.00 C ATOM 913 O ILE A 57 4.215 6.287 2.580 1.00 0.00 O ATOM 914 CB ILE A 57 2.456 3.482 2.958 1.00 0.00 C ATOM 915 CG1 ILE A 57 1.299 2.669 2.373 1.00 0.00 C ATOM 916 CG2 ILE A 57 1.948 4.451 4.015 1.00 0.00 C ATOM 917 CD1 ILE A 57 0.991 1.409 3.153 1.00 0.00 C ATOM 0 H ILE A 57 3.356 2.379 0.898 1.00 0.00 H new ATOM 0 HA ILE A 57 2.489 4.911 1.343 1.00 0.00 H new ATOM 0 HB ILE A 57 3.157 2.794 3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.406 3.294 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.538 2.400 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.430 3.897 4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.790 4.990 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.260 5.161 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.161 0.883 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.870 0.764 3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.721 1.671 4.176 1.00 0.00 H new ATOM 929 N ASP A 58 5.393 4.389 2.847 1.00 0.00 N ATOM 930 CA ASP A 58 6.541 5.057 3.451 1.00 0.00 C ATOM 931 C ASP A 58 7.102 6.123 2.515 1.00 0.00 C ATOM 932 O ASP A 58 7.489 7.207 2.953 1.00 0.00 O ATOM 933 CB ASP A 58 7.628 4.037 3.794 1.00 0.00 C ATOM 934 CG ASP A 58 8.797 4.663 4.528 1.00 0.00 C ATOM 935 OD1 ASP A 58 8.559 5.372 5.528 1.00 0.00 O ATOM 936 OD2 ASP A 58 9.951 4.445 4.102 1.00 0.00 O ATOM 0 H ASP A 58 5.494 3.378 2.754 1.00 0.00 H new ATOM 0 HA ASP A 58 6.208 5.543 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.199 3.245 4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.987 3.570 2.877 1.00 0.00 H new ATOM 941 N LYS A 59 7.146 5.807 1.225 1.00 0.00 N ATOM 942 CA LYS A 59 7.660 6.737 0.227 1.00 0.00 C ATOM 943 C LYS A 59 6.580 7.724 -0.205 1.00 0.00 C ATOM 944 O LYS A 59 6.501 8.100 -1.375 1.00 0.00 O ATOM 945 CB LYS A 59 8.183 5.972 -0.991 1.00 0.00 C ATOM 946 CG LYS A 59 9.621 5.505 -0.845 1.00 0.00 C ATOM 947 CD LYS A 59 9.725 4.299 0.074 1.00 0.00 C ATOM 948 CE LYS A 59 11.167 3.844 0.236 1.00 0.00 C ATOM 949 NZ LYS A 59 11.312 2.834 1.321 1.00 0.00 N ATOM 0 H LYS A 59 6.832 4.914 0.846 1.00 0.00 H new ATOM 0 HA LYS A 59 8.480 7.297 0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.545 5.106 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.105 6.610 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.024 5.252 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.230 6.318 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.309 4.547 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.127 3.481 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.522 3.421 -0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.797 4.706 0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.208 2.992 1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.519 2.924 1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.311 1.879 0.909 1.00 0.00 H new ATOM 963 N HIS A 60 5.752 8.141 0.747 1.00 0.00 N ATOM 964 CA HIS A 60 4.677 9.087 0.465 1.00 0.00 C ATOM 965 C HIS A 60 4.106 8.859 -0.932 1.00 0.00 C ATOM 966 O HIS A 60 3.940 9.801 -1.705 1.00 0.00 O ATOM 967 CB HIS A 60 5.187 10.523 0.592 1.00 0.00 C ATOM 968 CG HIS A 60 6.246 10.692 1.638 1.00 0.00 C ATOM 969 ND1 HIS A 60 6.526 9.959 2.741 1.00 0.00 N flip ATOM 970 CD2 HIS A 60 7.168 11.717 1.616 1.00 0.00 C flip ATOM 971 CE1 HIS A 60 7.601 10.549 3.359 1.00 0.00 C flip ATOM 972 NE2 HIS A 60 7.970 11.607 2.660 1.00 0.00 N flip ATOM 0 H HIS A 60 5.804 7.839 1.720 1.00 0.00 H new ATOM 0 HA HIS A 60 3.883 8.926 1.194 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.584 10.845 -0.371 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.348 11.178 0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.226 12.489 0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.069 10.204 4.269 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.743 12.233 2.887 1.00 0.00 H new ATOM 981 N ASN A 61 3.809 7.603 -1.247 1.00 0.00 N ATOM 982 CA ASN A 61 3.258 7.252 -2.551 1.00 0.00 C ATOM 983 C ASN A 61 1.763 7.550 -2.608 1.00 0.00 C ATOM 984 O ASN A 61 1.287 8.217 -3.527 1.00 0.00 O ATOM 985 CB ASN A 61 3.506 5.772 -2.851 1.00 0.00 C ATOM 986 CG ASN A 61 3.226 5.421 -4.299 1.00 0.00 C ATOM 987 OD1 ASN A 61 2.167 4.885 -4.626 1.00 0.00 O ATOM 988 ND2 ASN A 61 4.177 5.722 -5.176 1.00 0.00 N ATOM 0 H ASN A 61 3.940 6.811 -0.618 1.00 0.00 H new ATOM 0 HA ASN A 61 3.760 7.858 -3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.541 5.524 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.876 5.162 -2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.045 5.509 -6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.039 6.166 -4.861 1.00 0.00 H new ATOM 995 N TYR A 62 1.028 7.052 -1.620 1.00 0.00 N ATOM 996 CA TYR A 62 -0.413 7.264 -1.558 1.00 0.00 C ATOM 997 C TYR A 62 -0.740 8.590 -0.878 1.00 0.00 C ATOM 998 O TYR A 62 -0.057 9.007 0.058 1.00 0.00 O ATOM 999 CB TYR A 62 -1.086 6.113 -0.807 1.00 0.00 C ATOM 1000 CG TYR A 62 -0.773 4.750 -1.382 1.00 0.00 C ATOM 1001 CD1 TYR A 62 -0.844 4.518 -2.750 1.00 0.00 C ATOM 1002 CD2 TYR A 62 -0.406 3.694 -0.556 1.00 0.00 C ATOM 1003 CE1 TYR A 62 -0.559 3.274 -3.279 1.00 0.00 C ATOM 1004 CE2 TYR A 62 -0.119 2.447 -1.077 1.00 0.00 C ATOM 1005 CZ TYR A 62 -0.197 2.242 -2.439 1.00 0.00 C ATOM 1006 OH TYR A 62 0.088 1.002 -2.962 1.00 0.00 O ATOM 0 H TYR A 62 1.406 6.499 -0.851 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.795 7.296 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.772 6.139 0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.165 6.264 -0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.127 5.324 -3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.344 3.851 0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.619 3.111 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.165 1.637 -0.421 1.00 0.00 H new ATOM 0 HH TYR A 62 0.126 1.060 -3.940 1.00 0.00 H new ATOM 1016 N LEU A 63 -1.791 9.248 -1.356 1.00 0.00 N ATOM 1017 CA LEU A 63 -2.212 10.527 -0.795 1.00 0.00 C ATOM 1018 C LEU A 63 -3.683 10.489 -0.395 1.00 0.00 C ATOM 1019 O LEU A 63 -4.188 11.410 0.248 1.00 0.00 O ATOM 1020 CB LEU A 63 -1.974 11.652 -1.804 1.00 0.00 C ATOM 1021 CG LEU A 63 -2.361 11.347 -3.252 1.00 0.00 C ATOM 1022 CD1 LEU A 63 -3.870 11.409 -3.426 1.00 0.00 C ATOM 1023 CD2 LEU A 63 -1.673 12.315 -4.203 1.00 0.00 C ATOM 0 H LEU A 63 -2.367 8.917 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.617 10.717 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.531 12.530 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.917 11.918 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.030 10.336 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.126 11.189 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.342 10.676 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.225 12.407 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.960 12.083 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.973 13.335 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.592 12.221 -4.099 1.00 0.00 H new ATOM 1035 N THR A 64 -4.368 9.416 -0.779 1.00 0.00 N ATOM 1036 CA THR A 64 -5.781 9.257 -0.461 1.00 0.00 C ATOM 1037 C THR A 64 -6.118 7.799 -0.168 1.00 0.00 C ATOM 1038 O THR A 64 -5.396 6.891 -0.579 1.00 0.00 O ATOM 1039 CB THR A 64 -6.676 9.758 -1.610 1.00 0.00 C ATOM 1040 OG1 THR A 64 -6.134 9.344 -2.869 1.00 0.00 O ATOM 1041 CG2 THR A 64 -6.799 11.274 -1.579 1.00 0.00 C ATOM 0 H THR A 64 -3.966 8.644 -1.311 1.00 0.00 H new ATOM 0 HA THR A 64 -5.974 9.858 0.428 1.00 0.00 H new ATOM 0 HB THR A 64 -7.669 9.326 -1.482 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.819 8.862 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.436 11.604 -2.400 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.239 11.584 -0.631 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.811 11.721 -1.684 1.00 0.00 H new ATOM 1049 N ALA A 65 -7.218 7.583 0.544 1.00 0.00 N ATOM 1050 CA ALA A 65 -7.652 6.235 0.890 1.00 0.00 C ATOM 1051 C ALA A 65 -8.069 5.457 -0.354 1.00 0.00 C ATOM 1052 O ALA A 65 -7.749 4.276 -0.497 1.00 0.00 O ATOM 1053 CB ALA A 65 -8.797 6.288 1.890 1.00 0.00 C ATOM 0 H ALA A 65 -7.826 8.324 0.893 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.810 5.715 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.110 5.274 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.466 6.798 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.636 6.830 1.454 1.00 0.00 H new ATOM 1059 N LYS A 66 -8.785 6.125 -1.251 1.00 0.00 N ATOM 1060 CA LYS A 66 -9.246 5.497 -2.484 1.00 0.00 C ATOM 1061 C LYS A 66 -8.099 4.786 -3.195 1.00 0.00 C ATOM 1062 O LYS A 66 -8.236 3.639 -3.620 1.00 0.00 O ATOM 1063 CB LYS A 66 -9.865 6.544 -3.413 1.00 0.00 C ATOM 1064 CG LYS A 66 -10.960 5.991 -4.308 1.00 0.00 C ATOM 1065 CD LYS A 66 -12.210 5.649 -3.515 1.00 0.00 C ATOM 1066 CE LYS A 66 -13.090 6.872 -3.306 1.00 0.00 C ATOM 1067 NZ LYS A 66 -14.479 6.497 -2.923 1.00 0.00 N ATOM 0 H LYS A 66 -9.059 7.102 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.003 4.757 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.274 7.355 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.081 6.974 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.206 6.722 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.597 5.099 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.775 4.878 -4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.926 5.234 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.657 7.503 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.113 7.464 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.047 7.358 -2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.902 5.916 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.460 5.954 -2.036 1.00 0.00 H new ATOM 1081 N ASP A 67 -6.969 5.474 -3.319 1.00 0.00 N ATOM 1082 CA ASP A 67 -5.797 4.907 -3.976 1.00 0.00 C ATOM 1083 C ASP A 67 -5.413 3.572 -3.344 1.00 0.00 C ATOM 1084 O ASP A 67 -5.498 2.524 -3.984 1.00 0.00 O ATOM 1085 CB ASP A 67 -4.620 5.881 -3.896 1.00 0.00 C ATOM 1086 CG ASP A 67 -3.486 5.495 -4.824 1.00 0.00 C ATOM 1087 OD1 ASP A 67 -3.295 4.283 -5.055 1.00 0.00 O ATOM 1088 OD2 ASP A 67 -2.789 6.405 -5.320 1.00 0.00 O ATOM 0 H ASP A 67 -6.840 6.425 -2.973 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.045 4.735 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.965 6.884 -4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.251 5.917 -2.871 1.00 0.00 H new ATOM 1093 N PHE A 68 -4.989 3.619 -2.086 1.00 0.00 N ATOM 1094 CA PHE A 68 -4.590 2.414 -1.368 1.00 0.00 C ATOM 1095 C PHE A 68 -5.477 1.233 -1.752 1.00 0.00 C ATOM 1096 O PHE A 68 -4.985 0.181 -2.164 1.00 0.00 O ATOM 1097 CB PHE A 68 -4.659 2.648 0.142 1.00 0.00 C ATOM 1098 CG PHE A 68 -4.687 1.378 0.945 1.00 0.00 C ATOM 1099 CD1 PHE A 68 -3.643 0.471 0.867 1.00 0.00 C ATOM 1100 CD2 PHE A 68 -5.758 1.092 1.776 1.00 0.00 C ATOM 1101 CE1 PHE A 68 -3.666 -0.698 1.604 1.00 0.00 C ATOM 1102 CE2 PHE A 68 -5.786 -0.075 2.516 1.00 0.00 C ATOM 1103 CZ PHE A 68 -4.739 -0.972 2.429 1.00 0.00 C ATOM 0 H PHE A 68 -4.913 4.479 -1.542 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.562 2.179 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.799 3.244 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.550 3.233 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.801 0.680 0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.580 1.789 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.845 -1.397 1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.626 -0.285 3.162 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.760 -1.885 3.005 1.00 0.00 H new ATOM 1113 N LEU A 69 -6.785 1.414 -1.614 1.00 0.00 N ATOM 1114 CA LEU A 69 -7.742 0.365 -1.946 1.00 0.00 C ATOM 1115 C LEU A 69 -7.400 -0.281 -3.285 1.00 0.00 C ATOM 1116 O LEU A 69 -7.319 -1.505 -3.394 1.00 0.00 O ATOM 1117 CB LEU A 69 -9.161 0.936 -1.991 1.00 0.00 C ATOM 1118 CG LEU A 69 -9.918 0.956 -0.663 1.00 0.00 C ATOM 1119 CD1 LEU A 69 -11.266 1.641 -0.827 1.00 0.00 C ATOM 1120 CD2 LEU A 69 -10.097 -0.458 -0.129 1.00 0.00 C ATOM 0 H LEU A 69 -7.208 2.278 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.689 -0.399 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.109 1.956 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.742 0.357 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.331 1.523 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.790 1.646 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.114 2.667 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.861 1.102 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.638 -0.424 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.662 -1.050 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.120 -0.914 0.028 1.00 0.00 H new ATOM 1132 N LYS A 70 -7.197 0.549 -4.302 1.00 0.00 N ATOM 1133 CA LYS A 70 -6.859 0.061 -5.634 1.00 0.00 C ATOM 1134 C LYS A 70 -5.868 -1.096 -5.554 1.00 0.00 C ATOM 1135 O LYS A 70 -6.141 -2.194 -6.038 1.00 0.00 O ATOM 1136 CB LYS A 70 -6.272 1.192 -6.481 1.00 0.00 C ATOM 1137 CG LYS A 70 -7.166 2.417 -6.564 1.00 0.00 C ATOM 1138 CD LYS A 70 -6.961 3.170 -7.867 1.00 0.00 C ATOM 1139 CE LYS A 70 -5.613 3.874 -7.897 1.00 0.00 C ATOM 1140 NZ LYS A 70 -4.531 2.980 -8.395 1.00 0.00 N ATOM 0 H LYS A 70 -7.261 1.564 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.774 -0.299 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.308 1.484 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.085 0.820 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.209 2.113 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.957 3.079 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.029 2.476 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.758 3.902 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.678 4.756 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.363 4.223 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.795 3.550 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.114 2.461 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.927 2.303 -9.079 1.00 0.00 H new ATOM 1154 N ASP A 71 -4.718 -0.842 -4.939 1.00 0.00 N ATOM 1155 CA ASP A 71 -3.687 -1.863 -4.794 1.00 0.00 C ATOM 1156 C ASP A 71 -4.288 -3.176 -4.303 1.00 0.00 C ATOM 1157 O ASP A 71 -4.033 -4.238 -4.872 1.00 0.00 O ATOM 1158 CB ASP A 71 -2.603 -1.389 -3.824 1.00 0.00 C ATOM 1159 CG ASP A 71 -2.094 -0.001 -4.157 1.00 0.00 C ATOM 1160 OD1 ASP A 71 -1.337 0.133 -5.141 1.00 0.00 O ATOM 1161 OD2 ASP A 71 -2.454 0.952 -3.435 1.00 0.00 O ATOM 0 H ASP A 71 -4.476 0.062 -4.533 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.238 -2.033 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.001 -1.393 -2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.770 -2.092 -3.843 1.00 0.00 H new ATOM 1166 N ILE A 72 -5.086 -3.096 -3.243 1.00 0.00 N ATOM 1167 CA ILE A 72 -5.723 -4.278 -2.676 1.00 0.00 C ATOM 1168 C ILE A 72 -6.482 -5.059 -3.743 1.00 0.00 C ATOM 1169 O ILE A 72 -6.474 -6.290 -3.749 1.00 0.00 O ATOM 1170 CB ILE A 72 -6.695 -3.904 -1.541 1.00 0.00 C ATOM 1171 CG1 ILE A 72 -5.949 -3.176 -0.421 1.00 0.00 C ATOM 1172 CG2 ILE A 72 -7.385 -5.148 -1.004 1.00 0.00 C ATOM 1173 CD1 ILE A 72 -4.789 -3.964 0.144 1.00 0.00 C ATOM 0 H ILE A 72 -5.307 -2.225 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.926 -4.902 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.456 -3.234 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.580 -2.223 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.649 -2.949 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.069 -4.868 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.944 -5.629 -1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.637 -5.841 -0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.307 -3.387 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.154 -4.905 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.068 -4.169 -0.648 1.00 0.00 H new ATOM 1185 N ASP A 73 -7.134 -4.335 -4.646 1.00 0.00 N ATOM 1186 CA ASP A 73 -7.896 -4.960 -5.721 1.00 0.00 C ATOM 1187 C ASP A 73 -6.970 -5.685 -6.693 1.00 0.00 C ATOM 1188 O ASP A 73 -7.374 -6.643 -7.353 1.00 0.00 O ATOM 1189 CB ASP A 73 -8.719 -3.910 -6.469 1.00 0.00 C ATOM 1190 CG ASP A 73 -9.324 -4.452 -7.749 1.00 0.00 C ATOM 1191 OD1 ASP A 73 -10.117 -5.412 -7.670 1.00 0.00 O ATOM 1192 OD2 ASP A 73 -9.003 -3.915 -8.831 1.00 0.00 O ATOM 0 H ASP A 73 -7.150 -3.315 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.572 -5.691 -5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.516 -3.547 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.085 -3.055 -6.704 1.00 0.00 H new ATOM 1197 N LEU A 74 -5.729 -5.221 -6.777 1.00 0.00 N ATOM 1198 CA LEU A 74 -4.745 -5.824 -7.669 1.00 0.00 C ATOM 1199 C LEU A 74 -4.038 -6.993 -6.990 1.00 0.00 C ATOM 1200 O LEU A 74 -3.142 -7.609 -7.568 1.00 0.00 O ATOM 1201 CB LEU A 74 -3.718 -4.779 -8.110 1.00 0.00 C ATOM 1202 CG LEU A 74 -2.778 -5.197 -9.241 1.00 0.00 C ATOM 1203 CD1 LEU A 74 -3.560 -5.847 -10.372 1.00 0.00 C ATOM 1204 CD2 LEU A 74 -1.993 -3.998 -9.752 1.00 0.00 C ATOM 0 H LEU A 74 -5.380 -4.429 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.270 -6.201 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.253 -3.882 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.114 -4.505 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.071 -5.928 -8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.875 -6.138 -11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.076 -6.731 -9.997 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.291 -5.139 -10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.329 -4.314 -10.557 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.684 -3.244 -10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.402 -3.576 -8.939 1.00 0.00 H new ATOM 1216 N ILE A 75 -4.450 -7.294 -5.763 1.00 0.00 N ATOM 1217 CA ILE A 75 -3.858 -8.391 -5.007 1.00 0.00 C ATOM 1218 C ILE A 75 -4.808 -9.581 -4.932 1.00 0.00 C ATOM 1219 O ILE A 75 -4.400 -10.727 -5.126 1.00 0.00 O ATOM 1220 CB ILE A 75 -3.486 -7.954 -3.578 1.00 0.00 C ATOM 1221 CG1 ILE A 75 -2.433 -6.845 -3.619 1.00 0.00 C ATOM 1222 CG2 ILE A 75 -2.980 -9.143 -2.776 1.00 0.00 C ATOM 1223 CD1 ILE A 75 -2.199 -6.184 -2.278 1.00 0.00 C ATOM 0 H ILE A 75 -5.191 -6.794 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.951 -8.685 -5.535 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.378 -7.564 -3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.492 -7.262 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.742 -6.088 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.721 -8.818 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.758 -9.904 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.097 -9.560 -3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.441 -5.408 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.129 -5.738 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.859 -6.930 -1.559 1.00 0.00 H new ATOM 1235 N CYS A 76 -6.076 -9.302 -4.651 1.00 0.00 N ATOM 1236 CA CYS A 76 -7.086 -10.350 -4.551 1.00 0.00 C ATOM 1237 C CYS A 76 -7.170 -11.150 -5.848 1.00 0.00 C ATOM 1238 O CYS A 76 -7.532 -12.326 -5.841 1.00 0.00 O ATOM 1239 CB CYS A 76 -8.450 -9.743 -4.223 1.00 0.00 C ATOM 1240 SG CYS A 76 -9.175 -8.782 -5.573 1.00 0.00 S ATOM 0 H CYS A 76 -6.429 -8.359 -4.488 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.795 -11.026 -3.747 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -9.137 -10.545 -3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.349 -9.101 -3.348 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.263 -8.023 -6.104 1.00 0.00 H new ATOM 1246 N SER A 77 -6.834 -10.502 -6.959 1.00 0.00 N ATOM 1247 CA SER A 77 -6.877 -11.151 -8.264 1.00 0.00 C ATOM 1248 C SER A 77 -5.577 -11.899 -8.542 1.00 0.00 C ATOM 1249 O SER A 77 -5.585 -13.094 -8.831 1.00 0.00 O ATOM 1250 CB SER A 77 -7.129 -10.117 -9.363 1.00 0.00 C ATOM 1251 OG SER A 77 -7.035 -10.706 -10.649 1.00 0.00 O ATOM 0 H SER A 77 -6.529 -9.529 -6.981 1.00 0.00 H new ATOM 0 HA SER A 77 -7.695 -11.871 -8.258 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.118 -9.677 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.405 -9.307 -9.277 1.00 0.00 H new ATOM 0 HG SER A 77 -7.202 -10.025 -11.334 1.00 0.00 H new ATOM 1257 N ASN A 78 -4.460 -11.184 -8.452 1.00 0.00 N ATOM 1258 CA ASN A 78 -3.150 -11.778 -8.694 1.00 0.00 C ATOM 1259 C ASN A 78 -3.016 -13.113 -7.967 1.00 0.00 C ATOM 1260 O ASN A 78 -2.307 -14.010 -8.422 1.00 0.00 O ATOM 1261 CB ASN A 78 -2.043 -10.825 -8.241 1.00 0.00 C ATOM 1262 CG ASN A 78 -2.056 -9.517 -9.009 1.00 0.00 C ATOM 1263 OD1 ASN A 78 -3.039 -9.182 -9.670 1.00 0.00 O ATOM 1264 ND2 ASN A 78 -0.960 -8.771 -8.926 1.00 0.00 N ATOM 0 H ASN A 78 -4.436 -10.193 -8.213 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.051 -11.956 -9.765 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.157 -10.619 -7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.075 -11.309 -8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.910 -7.881 -9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.169 -9.088 -8.366 1.00 0.00 H new ATOM 1271 N ALA A 79 -3.702 -13.236 -6.836 1.00 0.00 N ATOM 1272 CA ALA A 79 -3.661 -14.461 -6.047 1.00 0.00 C ATOM 1273 C ALA A 79 -4.610 -15.511 -6.616 1.00 0.00 C ATOM 1274 O ALA A 79 -4.376 -16.713 -6.479 1.00 0.00 O ATOM 1275 CB ALA A 79 -4.007 -14.166 -4.595 1.00 0.00 C ATOM 0 H ALA A 79 -4.293 -12.502 -6.445 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.648 -14.860 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.972 -15.090 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.288 -13.456 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.009 -13.740 -4.539 1.00 0.00 H new ATOM 1281 N LEU A 80 -5.681 -15.051 -7.254 1.00 0.00 N ATOM 1282 CA LEU A 80 -6.665 -15.952 -7.843 1.00 0.00 C ATOM 1283 C LEU A 80 -6.166 -16.511 -9.172 1.00 0.00 C ATOM 1284 O LEU A 80 -6.720 -17.476 -9.697 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.993 -15.221 -8.052 1.00 0.00 C ATOM 1286 CG LEU A 80 -8.859 -15.033 -6.805 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -9.790 -13.844 -6.977 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -9.653 -16.298 -6.512 1.00 0.00 C ATOM 0 H LEU A 80 -5.890 -14.060 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.818 -16.783 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.782 -14.239 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.574 -15.769 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.204 -14.835 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.398 -13.726 -6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.201 -12.941 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.439 -14.012 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.263 -16.146 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.299 -16.527 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.966 -17.128 -6.344 1.00 0.00 H new ATOM 1300 N GLU A 81 -5.114 -15.899 -9.707 1.00 0.00 N ATOM 1301 CA GLU A 81 -4.539 -16.338 -10.974 1.00 0.00 C ATOM 1302 C GLU A 81 -3.216 -17.063 -10.748 1.00 0.00 C ATOM 1303 O GLU A 81 -2.958 -18.108 -11.345 1.00 0.00 O ATOM 1304 CB GLU A 81 -4.327 -15.142 -11.904 1.00 0.00 C ATOM 1305 CG GLU A 81 -3.425 -15.445 -13.089 1.00 0.00 C ATOM 1306 CD GLU A 81 -3.761 -14.608 -14.307 1.00 0.00 C ATOM 1307 OE1 GLU A 81 -3.543 -13.379 -14.261 1.00 0.00 O ATOM 1308 OE2 GLU A 81 -4.242 -15.181 -15.307 1.00 0.00 O ATOM 0 H GLU A 81 -4.643 -15.099 -9.284 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.238 -17.032 -11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.295 -14.803 -12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.898 -14.319 -11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.388 -15.267 -12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.509 -16.501 -13.344 1.00 0.00 H new ATOM 1315 N TYR A 82 -2.380 -16.499 -9.883 1.00 0.00 N ATOM 1316 CA TYR A 82 -1.081 -17.089 -9.581 1.00 0.00 C ATOM 1317 C TYR A 82 -1.164 -17.987 -8.350 1.00 0.00 C ATOM 1318 O TYR A 82 -1.110 -17.512 -7.217 1.00 0.00 O ATOM 1319 CB TYR A 82 -0.039 -15.992 -9.356 1.00 0.00 C ATOM 1320 CG TYR A 82 0.272 -15.189 -10.599 1.00 0.00 C ATOM 1321 CD1 TYR A 82 1.033 -15.730 -11.627 1.00 0.00 C ATOM 1322 CD2 TYR A 82 -0.197 -13.889 -10.744 1.00 0.00 C ATOM 1323 CE1 TYR A 82 1.320 -14.999 -12.764 1.00 0.00 C ATOM 1324 CE2 TYR A 82 0.084 -13.151 -11.878 1.00 0.00 C ATOM 1325 CZ TYR A 82 0.844 -13.710 -12.885 1.00 0.00 C ATOM 1326 OH TYR A 82 1.126 -12.980 -14.016 1.00 0.00 O ATOM 0 H TYR A 82 -2.578 -15.635 -9.379 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.780 -17.698 -10.433 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.396 -15.318 -8.578 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.881 -16.446 -8.987 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.407 -16.739 -11.536 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.791 -13.448 -9.957 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.914 -15.435 -13.554 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.289 -12.142 -11.976 1.00 0.00 H new ATOM 0 HH TYR A 82 0.716 -12.093 -13.943 1.00 0.00 H new ATOM 1431 N ASP A 90 -4.324 -23.683 -2.680 1.00 0.00 N ATOM 1432 CA ASP A 90 -5.210 -22.971 -3.594 1.00 0.00 C ATOM 1433 C ASP A 90 -6.636 -22.937 -3.053 1.00 0.00 C ATOM 1434 O ASP A 90 -7.248 -21.873 -2.954 1.00 0.00 O ATOM 1435 CB ASP A 90 -5.190 -23.630 -4.974 1.00 0.00 C ATOM 1436 CG ASP A 90 -3.934 -23.300 -5.756 1.00 0.00 C ATOM 1437 OD1 ASP A 90 -2.859 -23.188 -5.131 1.00 0.00 O ATOM 1438 OD2 ASP A 90 -4.026 -23.152 -6.993 1.00 0.00 O ATOM 0 HA ASP A 90 -4.851 -21.946 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.269 -24.711 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.063 -23.306 -5.541 1.00 0.00 H new ATOM 1443 N LYS A 91 -7.159 -24.107 -2.705 1.00 0.00 N ATOM 1444 CA LYS A 91 -8.513 -24.213 -2.174 1.00 0.00 C ATOM 1445 C LYS A 91 -8.772 -23.134 -1.128 1.00 0.00 C ATOM 1446 O LYS A 91 -9.894 -22.645 -0.992 1.00 0.00 O ATOM 1447 CB LYS A 91 -8.735 -25.597 -1.561 1.00 0.00 C ATOM 1448 CG LYS A 91 -7.739 -25.946 -0.468 1.00 0.00 C ATOM 1449 CD LYS A 91 -7.936 -27.367 0.033 1.00 0.00 C ATOM 1450 CE LYS A 91 -7.198 -28.372 -0.838 1.00 0.00 C ATOM 1451 NZ LYS A 91 -8.044 -28.859 -1.962 1.00 0.00 N ATOM 0 H LYS A 91 -6.666 -24.996 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.213 -24.071 -2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.744 -25.646 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.675 -26.348 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.724 -25.831 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.849 -25.248 0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.581 -27.444 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.999 -27.606 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.294 -27.912 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.882 -29.218 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.130 -29.894 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.989 -28.429 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.605 -28.595 -2.867 1.00 0.00 H new ATOM 1465 N ILE A 92 -7.729 -22.767 -0.392 1.00 0.00 N ATOM 1466 CA ILE A 92 -7.844 -21.744 0.640 1.00 0.00 C ATOM 1467 C ILE A 92 -7.744 -20.345 0.041 1.00 0.00 C ATOM 1468 O ILE A 92 -8.559 -19.472 0.339 1.00 0.00 O ATOM 1469 CB ILE A 92 -6.758 -21.907 1.719 1.00 0.00 C ATOM 1470 CG1 ILE A 92 -6.984 -23.197 2.511 1.00 0.00 C ATOM 1471 CG2 ILE A 92 -6.749 -20.703 2.649 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -6.272 -24.397 1.928 1.00 0.00 C ATOM 0 H ILE A 92 -6.794 -23.163 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.824 -21.870 1.101 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.787 -21.969 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.647 -23.048 3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.053 -23.405 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.976 -20.834 3.406 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.544 -19.800 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.720 -20.611 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.477 -25.275 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.626 -24.572 0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.198 -24.210 1.910 1.00 0.00 H new ATOM 1484 N ILE A 93 -6.741 -20.141 -0.805 1.00 0.00 N ATOM 1485 CA ILE A 93 -6.536 -18.849 -1.448 1.00 0.00 C ATOM 1486 C ILE A 93 -7.861 -18.241 -1.896 1.00 0.00 C ATOM 1487 O ILE A 93 -8.359 -17.295 -1.286 1.00 0.00 O ATOM 1488 CB ILE A 93 -5.601 -18.968 -2.667 1.00 0.00 C ATOM 1489 CG1 ILE A 93 -4.245 -19.536 -2.243 1.00 0.00 C ATOM 1490 CG2 ILE A 93 -5.428 -17.613 -3.337 1.00 0.00 C ATOM 1491 CD1 ILE A 93 -3.317 -19.814 -3.404 1.00 0.00 C ATOM 0 H ILE A 93 -6.057 -20.853 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.072 -18.198 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.052 -19.652 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.763 -18.834 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.405 -20.460 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.765 -17.714 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.399 -17.245 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.996 -16.908 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.375 -20.215 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.779 -20.540 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.127 -18.888 -3.947 1.00 0.00 H new ATOM 1503 N ARG A 94 -8.428 -18.793 -2.964 1.00 0.00 N ATOM 1504 CA ARG A 94 -9.696 -18.306 -3.493 1.00 0.00 C ATOM 1505 C ARG A 94 -10.606 -17.825 -2.367 1.00 0.00 C ATOM 1506 O ARG A 94 -11.275 -16.798 -2.490 1.00 0.00 O ATOM 1507 CB ARG A 94 -10.395 -19.406 -4.294 1.00 0.00 C ATOM 1508 CG ARG A 94 -9.702 -19.738 -5.605 1.00 0.00 C ATOM 1509 CD ARG A 94 -10.091 -21.121 -6.105 1.00 0.00 C ATOM 1510 NE ARG A 94 -11.391 -21.116 -6.771 1.00 0.00 N ATOM 1511 CZ ARG A 94 -11.991 -22.214 -7.219 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -11.411 -23.397 -7.073 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -13.174 -22.128 -7.814 1.00 0.00 N ATOM 0 H ARG A 94 -8.029 -19.578 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.486 -17.464 -4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.452 -20.308 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.419 -19.097 -4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.963 -18.992 -6.355 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.622 -19.689 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.331 -21.484 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.116 -21.816 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.864 -20.221 -6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.502 -23.466 -6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.874 -24.238 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.623 -21.219 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.634 -22.971 -8.158 1.00 0.00 H new ATOM 1527 N HIS A 95 -10.627 -18.574 -1.269 1.00 0.00 N ATOM 1528 CA HIS A 95 -11.455 -18.225 -0.120 1.00 0.00 C ATOM 1529 C HIS A 95 -10.918 -16.979 0.578 1.00 0.00 C ATOM 1530 O HIS A 95 -11.598 -15.956 0.653 1.00 0.00 O ATOM 1531 CB HIS A 95 -11.515 -19.391 0.866 1.00 0.00 C ATOM 1532 CG HIS A 95 -12.709 -19.352 1.769 1.00 0.00 C ATOM 1533 ND1 HIS A 95 -13.921 -19.921 1.440 1.00 0.00 N ATOM 1534 CD2 HIS A 95 -12.872 -18.808 2.998 1.00 0.00 C ATOM 1535 CE1 HIS A 95 -14.778 -19.727 2.426 1.00 0.00 C ATOM 1536 NE2 HIS A 95 -14.166 -19.055 3.384 1.00 0.00 N ATOM 0 H HIS A 95 -10.080 -19.427 -1.151 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.462 -18.013 -0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.522 -20.327 0.308 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -10.610 -19.389 1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.123 -18.278 3.568 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -15.805 -20.061 2.445 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -14.586 -18.766 4.267 1.00 0.00 H new ATOM 1545 N ARG A 96 -9.694 -17.074 1.088 1.00 0.00 N ATOM 1546 CA ARG A 96 -9.067 -15.956 1.782 1.00 0.00 C ATOM 1547 C ARG A 96 -8.703 -14.844 0.803 1.00 0.00 C ATOM 1548 O ARG A 96 -8.178 -13.803 1.198 1.00 0.00 O ATOM 1549 CB ARG A 96 -7.815 -16.427 2.524 1.00 0.00 C ATOM 1550 CG ARG A 96 -6.797 -17.113 1.628 1.00 0.00 C ATOM 1551 CD ARG A 96 -5.466 -17.303 2.339 1.00 0.00 C ATOM 1552 NE ARG A 96 -4.722 -18.443 1.811 1.00 0.00 N ATOM 1553 CZ ARG A 96 -3.767 -19.074 2.486 1.00 0.00 C ATOM 1554 NH1 ARG A 96 -3.443 -18.678 3.709 1.00 0.00 N ATOM 1555 NH2 ARG A 96 -3.135 -20.103 1.937 1.00 0.00 N ATOM 0 H ARG A 96 -9.117 -17.914 1.033 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.782 -15.561 2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.344 -15.570 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.110 -17.114 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.183 -18.082 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.647 -16.520 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.867 -16.399 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.642 -17.447 3.405 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.948 -18.773 0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.927 -17.887 4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.710 -19.164 4.225 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.382 -20.410 0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.402 -20.587 2.456 1.00 0.00 H new ATOM 1569 N ALA A 97 -8.986 -15.072 -0.475 1.00 0.00 N ATOM 1570 CA ALA A 97 -8.690 -14.089 -1.510 1.00 0.00 C ATOM 1571 C ALA A 97 -9.766 -13.010 -1.565 1.00 0.00 C ATOM 1572 O ALA A 97 -9.461 -11.821 -1.671 1.00 0.00 O ATOM 1573 CB ALA A 97 -8.555 -14.772 -2.863 1.00 0.00 C ATOM 0 H ALA A 97 -9.420 -15.929 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.743 -13.609 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.334 -14.026 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.746 -15.501 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.488 -15.278 -3.110 1.00 0.00 H new ATOM 1579 N CYS A 98 -11.023 -13.430 -1.494 1.00 0.00 N ATOM 1580 CA CYS A 98 -12.145 -12.498 -1.537 1.00 0.00 C ATOM 1581 C CYS A 98 -12.338 -11.816 -0.187 1.00 0.00 C ATOM 1582 O CYS A 98 -12.452 -10.593 -0.107 1.00 0.00 O ATOM 1583 CB CYS A 98 -13.427 -13.229 -1.941 1.00 0.00 C ATOM 1584 SG CYS A 98 -13.720 -13.273 -3.725 1.00 0.00 S ATOM 0 H CYS A 98 -11.292 -14.410 -1.406 1.00 0.00 H new ATOM 0 HA CYS A 98 -11.922 -11.733 -2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -13.383 -14.251 -1.565 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -14.276 -12.747 -1.456 1.00 0.00 H new ATOM 0 HG CYS A 98 -14.825 -13.913 -3.968 1.00 0.00 H new ATOM 1590 N THR A 99 -12.375 -12.616 0.874 1.00 0.00 N ATOM 1591 CA THR A 99 -12.557 -12.091 2.222 1.00 0.00 C ATOM 1592 C THR A 99 -11.682 -10.864 2.456 1.00 0.00 C ATOM 1593 O THR A 99 -12.148 -9.844 2.965 1.00 0.00 O ATOM 1594 CB THR A 99 -12.229 -13.153 3.288 1.00 0.00 C ATOM 1595 OG1 THR A 99 -13.119 -14.267 3.159 1.00 0.00 O ATOM 1596 CG2 THR A 99 -12.341 -12.567 4.687 1.00 0.00 C ATOM 0 H THR A 99 -12.281 -13.631 0.826 1.00 0.00 H new ATOM 0 HA THR A 99 -13.606 -11.809 2.313 1.00 0.00 H new ATOM 0 HB THR A 99 -11.203 -13.488 3.133 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.903 -14.939 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.105 -13.335 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.642 -11.738 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 99 -13.357 -12.208 4.851 1.00 0.00 H new ATOM 1604 N LEU A 100 -10.412 -10.970 2.082 1.00 0.00 N ATOM 1605 CA LEU A 100 -9.470 -9.868 2.251 1.00 0.00 C ATOM 1606 C LEU A 100 -10.060 -8.562 1.727 1.00 0.00 C ATOM 1607 O LEU A 100 -10.010 -7.532 2.399 1.00 0.00 O ATOM 1608 CB LEU A 100 -8.159 -10.175 1.526 1.00 0.00 C ATOM 1609 CG LEU A 100 -7.061 -9.118 1.647 1.00 0.00 C ATOM 1610 CD1 LEU A 100 -6.575 -9.015 3.084 1.00 0.00 C ATOM 1611 CD2 LEU A 100 -5.904 -9.441 0.713 1.00 0.00 C ATOM 0 H LEU A 100 -10.010 -11.807 1.660 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.270 -9.754 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.770 -11.119 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.378 -10.323 0.469 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.478 -8.154 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.794 -8.258 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.407 -8.736 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.175 -9.978 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.132 -8.678 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.488 -10.414 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.262 -9.462 -0.316 1.00 0.00 H new ATOM 1623 N LYS A 101 -10.622 -8.614 0.524 1.00 0.00 N ATOM 1624 CA LYS A 101 -11.226 -7.437 -0.090 1.00 0.00 C ATOM 1625 C LYS A 101 -12.318 -6.857 0.804 1.00 0.00 C ATOM 1626 O LYS A 101 -12.324 -5.661 1.095 1.00 0.00 O ATOM 1627 CB LYS A 101 -11.808 -7.793 -1.459 1.00 0.00 C ATOM 1628 CG LYS A 101 -12.070 -6.585 -2.342 1.00 0.00 C ATOM 1629 CD LYS A 101 -12.010 -6.948 -3.816 1.00 0.00 C ATOM 1630 CE LYS A 101 -12.526 -5.816 -4.690 1.00 0.00 C ATOM 1631 NZ LYS A 101 -12.717 -6.248 -6.103 1.00 0.00 N ATOM 0 H LYS A 101 -10.672 -9.459 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.448 -6.684 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.121 -8.466 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.741 -8.338 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.050 -6.168 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.335 -5.810 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.982 -7.183 -4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.601 -7.846 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.472 -5.452 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.824 -4.983 -4.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.563 -5.787 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.884 -5.979 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.838 -7.280 -6.137 1.00 0.00 H new ATOM 1645 N ASP A 102 -13.239 -7.712 1.235 1.00 0.00 N ATOM 1646 CA ASP A 102 -14.334 -7.284 2.098 1.00 0.00 C ATOM 1647 C ASP A 102 -13.801 -6.674 3.391 1.00 0.00 C ATOM 1648 O ASP A 102 -14.241 -5.604 3.813 1.00 0.00 O ATOM 1649 CB ASP A 102 -15.251 -8.466 2.417 1.00 0.00 C ATOM 1650 CG ASP A 102 -16.529 -8.036 3.110 1.00 0.00 C ATOM 1651 OD1 ASP A 102 -17.450 -7.561 2.414 1.00 0.00 O ATOM 1652 OD2 ASP A 102 -16.608 -8.174 4.349 1.00 0.00 O ATOM 0 H ASP A 102 -13.249 -8.705 1.001 1.00 0.00 H new ATOM 0 HA ASP A 102 -14.906 -6.523 1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -15.500 -8.989 1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.718 -9.175 3.051 1.00 0.00 H new ATOM 1657 N THR A 103 -12.852 -7.362 4.017 1.00 0.00 N ATOM 1658 CA THR A 103 -12.261 -6.890 5.262 1.00 0.00 C ATOM 1659 C THR A 103 -11.644 -5.507 5.088 1.00 0.00 C ATOM 1660 O THR A 103 -11.975 -4.573 5.818 1.00 0.00 O ATOM 1661 CB THR A 103 -11.180 -7.861 5.775 1.00 0.00 C ATOM 1662 OG1 THR A 103 -11.689 -9.199 5.783 1.00 0.00 O ATOM 1663 CG2 THR A 103 -10.729 -7.476 7.176 1.00 0.00 C ATOM 0 H THR A 103 -12.476 -8.249 3.682 1.00 0.00 H new ATOM 0 HA THR A 103 -13.067 -6.836 5.994 1.00 0.00 H new ATOM 0 HB THR A 103 -10.322 -7.803 5.105 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.719 -9.543 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.966 -8.175 7.518 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.316 -6.467 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.581 -7.509 7.855 1.00 0.00 H new ATOM 1671 N ALA A 104 -10.746 -5.382 4.117 1.00 0.00 N ATOM 1672 CA ALA A 104 -10.085 -4.112 3.845 1.00 0.00 C ATOM 1673 C ALA A 104 -11.104 -3.000 3.622 1.00 0.00 C ATOM 1674 O ALA A 104 -11.166 -2.038 4.388 1.00 0.00 O ATOM 1675 CB ALA A 104 -9.169 -4.241 2.638 1.00 0.00 C ATOM 0 H ALA A 104 -10.459 -6.146 3.505 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.484 -3.850 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.682 -3.285 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -8.412 -5.000 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.755 -4.531 1.766 1.00 0.00 H new ATOM 1681 N HIS A 105 -11.901 -3.137 2.567 1.00 0.00 N ATOM 1682 CA HIS A 105 -12.918 -2.142 2.243 1.00 0.00 C ATOM 1683 C HIS A 105 -13.753 -1.799 3.472 1.00 0.00 C ATOM 1684 O HIS A 105 -14.056 -0.633 3.723 1.00 0.00 O ATOM 1685 CB HIS A 105 -13.823 -2.655 1.123 1.00 0.00 C ATOM 1686 CG HIS A 105 -13.329 -2.316 -0.250 1.00 0.00 C ATOM 1687 ND1 HIS A 105 -12.605 -3.042 -1.134 1.00 0.00 N flip ATOM 1688 CD2 HIS A 105 -13.565 -1.101 -0.857 1.00 0.00 C flip ATOM 1689 CE1 HIS A 105 -12.420 -2.261 -2.248 1.00 0.00 C flip ATOM 1690 NE2 HIS A 105 -13.010 -1.094 -2.055 1.00 0.00 N flip ATOM 0 H HIS A 105 -11.863 -3.926 1.922 1.00 0.00 H new ATOM 0 HA HIS A 105 -12.413 -1.237 1.906 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -13.916 -3.738 1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -14.821 -2.238 1.254 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -14.118 -0.282 -0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -11.880 -2.553 -3.137 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -13.033 -0.320 -2.719 1.00 0.00 H new ATOM 1699 N ALA A 106 -14.124 -2.823 4.234 1.00 0.00 N ATOM 1700 CA ALA A 106 -14.923 -2.629 5.438 1.00 0.00 C ATOM 1701 C ALA A 106 -14.204 -1.727 6.435 1.00 0.00 C ATOM 1702 O ALA A 106 -14.802 -0.812 7.002 1.00 0.00 O ATOM 1703 CB ALA A 106 -15.250 -3.971 6.076 1.00 0.00 C ATOM 0 H ALA A 106 -13.884 -3.795 4.039 1.00 0.00 H new ATOM 0 HA ALA A 106 -15.854 -2.139 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.847 -3.811 6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -15.813 -4.582 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.325 -4.483 6.342 1.00 0.00 H new ATOM 1709 N ILE A 107 -12.919 -1.992 6.646 1.00 0.00 N ATOM 1710 CA ILE A 107 -12.119 -1.204 7.575 1.00 0.00 C ATOM 1711 C ILE A 107 -11.932 0.222 7.067 1.00 0.00 C ATOM 1712 O ILE A 107 -11.848 1.166 7.853 1.00 0.00 O ATOM 1713 CB ILE A 107 -10.736 -1.840 7.807 1.00 0.00 C ATOM 1714 CG1 ILE A 107 -10.884 -3.196 8.500 1.00 0.00 C ATOM 1715 CG2 ILE A 107 -9.857 -0.911 8.631 1.00 0.00 C ATOM 1716 CD1 ILE A 107 -9.608 -4.009 8.516 1.00 0.00 C ATOM 0 H ILE A 107 -12.410 -2.747 6.186 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.663 -1.182 8.520 1.00 0.00 H new ATOM 0 HB ILE A 107 -10.258 -1.997 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -11.216 -3.036 9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.664 -3.768 7.998 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.883 -1.375 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.729 0.033 8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.328 -0.725 9.596 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.787 -4.957 9.023 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.285 -4.200 7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.831 -3.456 9.044 1.00 0.00 H new ATOM 1728 N ILE A 108 -11.869 0.370 5.748 1.00 0.00 N ATOM 1729 CA ILE A 108 -11.695 1.681 5.135 1.00 0.00 C ATOM 1730 C ILE A 108 -12.967 2.515 5.249 1.00 0.00 C ATOM 1731 O ILE A 108 -12.928 3.669 5.673 1.00 0.00 O ATOM 1732 CB ILE A 108 -11.305 1.561 3.650 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -9.965 0.836 3.509 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -11.239 2.938 3.006 1.00 0.00 C ATOM 1735 CD1 ILE A 108 -8.851 1.463 4.319 1.00 0.00 C ATOM 0 H ILE A 108 -11.936 -0.401 5.084 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.889 2.177 5.675 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.068 0.977 3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.088 -0.202 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.677 0.824 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.962 2.836 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.213 3.421 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.494 3.545 3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.931 0.898 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.700 2.493 3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.118 1.451 5.376 1.00 0.00 H new ATOM 1747 N ALA A 109 -14.093 1.920 4.869 1.00 0.00 N ATOM 1748 CA ALA A 109 -15.378 2.606 4.933 1.00 0.00 C ATOM 1749 C ALA A 109 -15.702 3.034 6.360 1.00 0.00 C ATOM 1750 O ALA A 109 -16.072 4.181 6.606 1.00 0.00 O ATOM 1751 CB ALA A 109 -16.481 1.714 4.383 1.00 0.00 C ATOM 0 H ALA A 109 -14.142 0.965 4.514 1.00 0.00 H new ATOM 0 HA ALA A 109 -15.313 3.504 4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -17.435 2.239 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -16.263 1.464 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -16.537 0.799 4.973 1.00 0.00 H new ATOM 1757 N ALA A 110 -15.562 2.102 7.298 1.00 0.00 N ATOM 1758 CA ALA A 110 -15.839 2.383 8.701 1.00 0.00 C ATOM 1759 C ALA A 110 -14.904 3.460 9.240 1.00 0.00 C ATOM 1760 O ALA A 110 -15.352 4.508 9.704 1.00 0.00 O ATOM 1761 CB ALA A 110 -15.716 1.112 9.528 1.00 0.00 C ATOM 0 H ALA A 110 -15.258 1.146 7.111 1.00 0.00 H new ATOM 0 HA ALA A 110 -16.861 2.755 8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -15.925 1.337 10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -16.430 0.372 9.166 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.705 0.716 9.438 1.00 0.00 H new ATOM 1767 N GLU A 111 -13.603 3.194 9.176 1.00 0.00 N ATOM 1768 CA GLU A 111 -12.605 4.141 9.660 1.00 0.00 C ATOM 1769 C GLU A 111 -12.723 5.476 8.929 1.00 0.00 C ATOM 1770 O GLU A 111 -13.043 6.501 9.533 1.00 0.00 O ATOM 1771 CB GLU A 111 -11.197 3.570 9.479 1.00 0.00 C ATOM 1772 CG GLU A 111 -10.873 2.435 10.436 1.00 0.00 C ATOM 1773 CD GLU A 111 -9.389 2.321 10.725 1.00 0.00 C ATOM 1774 OE1 GLU A 111 -8.783 3.336 11.129 1.00 0.00 O ATOM 1775 OE2 GLU A 111 -8.834 1.217 10.546 1.00 0.00 O ATOM 0 H GLU A 111 -13.216 2.331 8.794 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.786 4.310 10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.088 3.213 8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.469 4.370 9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.411 2.589 11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.230 1.496 10.014 1.00 0.00 H new ATOM 1782 N LEU A 112 -12.460 5.456 7.627 1.00 0.00 N ATOM 1783 CA LEU A 112 -12.535 6.663 6.813 1.00 0.00 C ATOM 1784 C LEU A 112 -13.874 7.369 7.008 1.00 0.00 C ATOM 1785 O LEU A 112 -14.926 6.730 7.031 1.00 0.00 O ATOM 1786 CB LEU A 112 -12.338 6.319 5.335 1.00 0.00 C ATOM 1787 CG LEU A 112 -12.059 7.498 4.403 1.00 0.00 C ATOM 1788 CD1 LEU A 112 -10.601 7.920 4.496 1.00 0.00 C ATOM 1789 CD2 LEU A 112 -12.422 7.141 2.969 1.00 0.00 C ATOM 0 H LEU A 112 -12.193 4.617 7.113 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.740 7.336 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.511 5.614 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -13.231 5.805 4.980 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.679 8.338 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.422 8.760 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.373 8.217 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.962 7.085 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.217 7.992 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -11.828 6.286 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.481 6.889 2.914 1.00 0.00 H new ATOM 1801 N ASP A 113 -13.826 8.689 7.145 1.00 0.00 N ATOM 1802 CA ASP A 113 -15.034 9.483 7.334 1.00 0.00 C ATOM 1803 C ASP A 113 -15.347 10.302 6.086 1.00 0.00 C ATOM 1804 O ASP A 113 -14.484 10.553 5.245 1.00 0.00 O ATOM 1805 CB ASP A 113 -14.879 10.409 8.541 1.00 0.00 C ATOM 1806 CG ASP A 113 -15.322 9.754 9.834 1.00 0.00 C ATOM 1807 OD1 ASP A 113 -14.518 9.001 10.424 1.00 0.00 O ATOM 1808 OD2 ASP A 113 -16.472 9.992 10.257 1.00 0.00 O ATOM 0 H ASP A 113 -12.963 9.232 7.129 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.863 8.799 7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.836 10.713 8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.463 11.315 8.378 1.00 0.00 H new ATOM 1813 N PRO A 114 -16.613 10.730 5.960 1.00 0.00 N ATOM 1814 CA PRO A 114 -17.069 11.527 4.818 1.00 0.00 C ATOM 1815 C PRO A 114 -16.489 12.938 4.826 1.00 0.00 C ATOM 1816 O PRO A 114 -16.655 13.691 3.868 1.00 0.00 O ATOM 1817 CB PRO A 114 -18.588 11.572 5.001 1.00 0.00 C ATOM 1818 CG PRO A 114 -18.799 11.379 6.463 1.00 0.00 C ATOM 1819 CD PRO A 114 -17.695 10.469 6.924 1.00 0.00 C ATOM 0 HA PRO A 114 -16.753 11.096 3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -18.999 12.523 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -19.080 10.789 4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -18.765 12.332 6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -19.776 10.939 6.661 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -17.387 10.696 7.945 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -18.003 9.424 6.909 1.00 0.00 H new ATOM 1827 N GLU A 115 -15.810 13.287 5.914 1.00 0.00 N ATOM 1828 CA GLU A 115 -15.207 14.608 6.046 1.00 0.00 C ATOM 1829 C GLU A 115 -13.691 14.532 5.888 1.00 0.00 C ATOM 1830 O GLU A 115 -13.054 15.482 5.432 1.00 0.00 O ATOM 1831 CB GLU A 115 -15.559 15.221 7.403 1.00 0.00 C ATOM 1832 CG GLU A 115 -15.191 14.338 8.584 1.00 0.00 C ATOM 1833 CD GLU A 115 -15.326 15.055 9.913 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -14.357 15.726 10.327 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -16.401 14.946 10.539 1.00 0.00 O ATOM 0 H GLU A 115 -15.664 12.674 6.716 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.607 15.242 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.048 16.179 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.629 15.426 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -15.830 13.455 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.165 13.989 8.466 1.00 0.00 H new ATOM 1842 N PHE A 116 -13.119 13.394 6.269 1.00 0.00 N ATOM 1843 CA PHE A 116 -11.677 13.194 6.172 1.00 0.00 C ATOM 1844 C PHE A 116 -11.269 12.868 4.738 1.00 0.00 C ATOM 1845 O PHE A 116 -10.272 13.381 4.234 1.00 0.00 O ATOM 1846 CB PHE A 116 -11.234 12.068 7.108 1.00 0.00 C ATOM 1847 CG PHE A 116 -9.744 11.982 7.278 1.00 0.00 C ATOM 1848 CD1 PHE A 116 -9.036 13.029 7.846 1.00 0.00 C ATOM 1849 CD2 PHE A 116 -9.051 10.854 6.869 1.00 0.00 C ATOM 1850 CE1 PHE A 116 -7.665 12.953 8.003 1.00 0.00 C ATOM 1851 CE2 PHE A 116 -7.680 10.772 7.025 1.00 0.00 C ATOM 1852 CZ PHE A 116 -6.986 11.823 7.592 1.00 0.00 C ATOM 0 H PHE A 116 -13.631 12.597 6.647 1.00 0.00 H new ATOM 0 HA PHE A 116 -11.185 14.120 6.470 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -11.695 12.215 8.085 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -11.603 11.118 6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.562 13.915 8.170 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -9.588 10.030 6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.125 13.777 8.447 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.152 9.887 6.704 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.915 11.761 7.714 1.00 0.00 H new ATOM 1862 N ASN A 117 -12.049 12.010 4.087 1.00 0.00 N ATOM 1863 CA ASN A 117 -11.769 11.614 2.712 1.00 0.00 C ATOM 1864 C ASN A 117 -11.680 12.835 1.802 1.00 0.00 C ATOM 1865 O ASN A 117 -10.765 12.952 0.987 1.00 0.00 O ATOM 1866 CB ASN A 117 -12.852 10.662 2.203 1.00 0.00 C ATOM 1867 CG ASN A 117 -12.526 10.094 0.835 1.00 0.00 C ATOM 1868 OD1 ASN A 117 -11.406 9.650 0.585 1.00 0.00 O ATOM 1869 ND2 ASN A 117 -13.508 10.107 -0.060 1.00 0.00 N ATOM 0 H ASN A 117 -12.880 11.576 4.490 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.808 11.101 2.696 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.976 9.844 2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.804 11.191 2.156 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -13.348 9.739 -0.998 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -14.422 10.485 0.191 1.00 0.00 H new ATOM 1876 N LYS A 118 -12.638 13.745 1.947 1.00 0.00 N ATOM 1877 CA LYS A 118 -12.669 14.959 1.140 1.00 0.00 C ATOM 1878 C LYS A 118 -11.380 15.757 1.308 1.00 0.00 C ATOM 1879 O LYS A 118 -10.819 16.262 0.334 1.00 0.00 O ATOM 1880 CB LYS A 118 -13.871 15.823 1.529 1.00 0.00 C ATOM 1881 CG LYS A 118 -15.207 15.222 1.129 1.00 0.00 C ATOM 1882 CD LYS A 118 -16.359 15.877 1.874 1.00 0.00 C ATOM 1883 CE LYS A 118 -16.529 17.333 1.466 1.00 0.00 C ATOM 1884 NZ LYS A 118 -17.858 17.870 1.870 1.00 0.00 N ATOM 0 H LYS A 118 -13.403 13.664 2.616 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.761 14.668 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -13.861 15.980 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -13.769 16.803 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.353 15.340 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -15.202 14.152 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -17.281 15.331 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.181 15.817 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -15.741 17.932 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -16.414 17.423 0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -17.935 18.864 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -18.610 17.314 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -17.958 17.807 2.903 1.00 0.00 H new ATOM 1898 N LEU A 119 -10.915 15.867 2.547 1.00 0.00 N ATOM 1899 CA LEU A 119 -9.690 16.602 2.842 1.00 0.00 C ATOM 1900 C LEU A 119 -8.488 15.952 2.165 1.00 0.00 C ATOM 1901 O LEU A 119 -7.598 16.640 1.663 1.00 0.00 O ATOM 1902 CB LEU A 119 -9.464 16.670 4.354 1.00 0.00 C ATOM 1903 CG LEU A 119 -10.539 17.398 5.161 1.00 0.00 C ATOM 1904 CD1 LEU A 119 -10.452 17.017 6.631 1.00 0.00 C ATOM 1905 CD2 LEU A 119 -10.406 18.904 4.990 1.00 0.00 C ATOM 0 H LEU A 119 -11.368 15.457 3.364 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.800 17.614 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.379 15.652 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.507 17.159 4.537 1.00 0.00 H new ATOM 0 HG LEU A 119 -11.516 17.095 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.225 17.545 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.597 15.942 6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.471 17.291 7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -11.179 19.406 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.424 19.224 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.519 19.162 3.937 1.00 0.00 H new ATOM 1917 N CYS A 120 -8.469 14.624 2.153 1.00 0.00 N ATOM 1918 CA CYS A 120 -7.376 13.880 1.536 1.00 0.00 C ATOM 1919 C CYS A 120 -7.326 14.135 0.033 1.00 0.00 C ATOM 1920 O CYS A 120 -6.350 14.681 -0.481 1.00 0.00 O ATOM 1921 CB CYS A 120 -7.534 12.383 1.807 1.00 0.00 C ATOM 1922 SG CYS A 120 -7.270 11.914 3.533 1.00 0.00 S ATOM 0 H CYS A 120 -9.198 14.040 2.563 1.00 0.00 H new ATOM 0 HA CYS A 120 -6.440 14.224 1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -8.535 12.074 1.507 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -6.830 11.835 1.181 1.00 0.00 H new ATOM 0 HG CYS A 120 -8.276 12.317 4.251 1.00 0.00 H new ATOM 1928 N GLU A 121 -8.384 13.734 -0.665 1.00 0.00 N ATOM 1929 CA GLU A 121 -8.458 13.917 -2.110 1.00 0.00 C ATOM 1930 C GLU A 121 -8.287 15.387 -2.482 1.00 0.00 C ATOM 1931 O GLU A 121 -8.010 15.718 -3.634 1.00 0.00 O ATOM 1932 CB GLU A 121 -9.794 13.397 -2.645 1.00 0.00 C ATOM 1933 CG GLU A 121 -11.003 14.099 -2.050 1.00 0.00 C ATOM 1934 CD GLU A 121 -12.256 13.910 -2.883 1.00 0.00 C ATOM 1935 OE1 GLU A 121 -12.854 12.815 -2.813 1.00 0.00 O ATOM 1936 OE2 GLU A 121 -12.638 14.854 -3.605 1.00 0.00 O ATOM 0 H GLU A 121 -9.200 13.281 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 121 -7.647 13.348 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -9.813 13.515 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -9.867 12.329 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -11.180 13.720 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -10.791 15.164 -1.957 1.00 0.00 H new ATOM 1943 N GLU A 122 -8.456 16.264 -1.497 1.00 0.00 N ATOM 1944 CA GLU A 122 -8.322 17.699 -1.721 1.00 0.00 C ATOM 1945 C GLU A 122 -6.915 18.046 -2.198 1.00 0.00 C ATOM 1946 O GLU A 122 -6.734 18.921 -3.045 1.00 0.00 O ATOM 1947 CB GLU A 122 -8.642 18.470 -0.439 1.00 0.00 C ATOM 1948 CG GLU A 122 -9.065 19.909 -0.683 1.00 0.00 C ATOM 1949 CD GLU A 122 -8.872 20.789 0.537 1.00 0.00 C ATOM 1950 OE1 GLU A 122 -9.734 20.749 1.440 1.00 0.00 O ATOM 1951 OE2 GLU A 122 -7.859 21.517 0.588 1.00 0.00 O ATOM 0 H GLU A 122 -8.686 16.006 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 122 -9.032 17.987 -2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.437 17.952 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -7.765 18.463 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -8.490 20.317 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.114 19.930 -0.979 1.00 0.00 H new ATOM 1958 N ILE A 123 -5.923 17.354 -1.648 1.00 0.00 N ATOM 1959 CA ILE A 123 -4.532 17.589 -2.017 1.00 0.00 C ATOM 1960 C ILE A 123 -4.227 17.020 -3.399 1.00 0.00 C ATOM 1961 O ILE A 123 -3.428 17.579 -4.150 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.565 16.966 -0.993 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -3.836 17.529 0.404 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -2.123 17.222 -1.403 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -3.506 16.561 1.519 1.00 0.00 C ATOM 0 H ILE A 123 -6.056 16.626 -0.946 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.387 18.669 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.729 15.889 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -3.253 18.440 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.887 17.810 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.451 16.776 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.939 16.778 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -1.944 18.296 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -3.722 17.026 2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.108 15.659 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.449 16.299 1.472 1.00 0.00 H new ATOM 1977 N LYS A 124 -4.870 15.905 -3.729 1.00 0.00 N ATOM 1978 CA LYS A 124 -4.671 15.261 -5.022 1.00 0.00 C ATOM 1979 C LYS A 124 -4.800 16.270 -6.158 1.00 0.00 C ATOM 1980 O LYS A 124 -3.878 16.441 -6.955 1.00 0.00 O ATOM 1981 CB LYS A 124 -5.685 14.130 -5.212 1.00 0.00 C ATOM 1982 CG LYS A 124 -5.253 13.092 -6.234 1.00 0.00 C ATOM 1983 CD LYS A 124 -6.003 11.783 -6.050 1.00 0.00 C ATOM 1984 CE LYS A 124 -5.173 10.595 -6.512 1.00 0.00 C ATOM 1985 NZ LYS A 124 -5.697 9.310 -5.974 1.00 0.00 N ATOM 0 H LYS A 124 -5.534 15.428 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.664 14.845 -5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -5.851 13.637 -4.254 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -6.639 14.557 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.429 13.475 -7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.181 12.914 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.266 11.658 -5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.937 11.816 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -5.168 10.557 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -4.139 10.728 -6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -5.075 8.531 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -5.726 9.355 -4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -6.656 9.146 -6.341 1.00 0.00 H new