USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 791 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 30 THR OG1 : rot 61:sc= 0.0796 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.991 K(o=-0.91,f=-3.8!) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-3.9!) USER MOD Single : A 9 TYR OH : rot -13:sc= -1.72 USER MOD Single : A 10 HIS : no HD1:sc= -0.0885 K(o=-0.089,f=-2.7!) USER MOD Single : A 12 HIS : no HD1:sc=-0.000203 X(o=-0.0002,f=-0.092) USER MOD Single : A 13 MET CE :methyl 179:sc= -0.933 (180deg=-0.97) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-1.06e-05 K(o=-1.1e-05,f=-6.1!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.68! C(o=-1.7!,f=-2.6!) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= -0.0395 (180deg=-1.81!) USER MOD Single : A 36 SER OG : rot 173:sc= 0.199 USER MOD Single : A 49 SER OG : rot 110:sc= -0.897 USER MOD Single : A 51 GLN : amide:sc=-0.000399 X(o=-0.0004,f=-0.029) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -50:sc= -0.397 USER MOD Single : A 63 THR OG1 : rot -160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 174:sc= -0.333 (180deg=-0.394) USER MOD Single : A 69 CYS SG : rot 40:sc= 0.561 USER MOD Single : A 74 TYR OH : rot -34:sc= 1.48 USER MOD Single : A 75 THR OG1 : rot -157:sc= 0.682 USER MOD Single : A 81 THR OG1 : rot -150:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.171 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.327 F(o=-0.95,f=-0.33) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -93:sc= 0.949! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 67:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.127 USER MOD Single : B 9 SER OG : rot -157:sc= 0.531 USER MOD Single : B 12 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.380 -5.990 -12.534 1.00 0.00 N ATOM 60 CA GLY A 7 4.138 -5.434 -12.031 1.00 0.00 C ATOM 61 C GLY A 7 4.365 -4.375 -10.971 1.00 0.00 C ATOM 62 O GLY A 7 5.074 -3.395 -11.204 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.576 -5.001 -12.858 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.527 -6.235 -11.615 1.00 0.00 H new ATOM 66 N TRP A 8 3.763 -4.570 -9.804 1.00 0.00 N ATOM 67 CA TRP A 8 3.902 -3.622 -8.704 1.00 0.00 C ATOM 68 C TRP A 8 4.446 -4.311 -7.457 1.00 0.00 C ATOM 69 O TRP A 8 4.224 -3.853 -6.336 1.00 0.00 O ATOM 70 CB TRP A 8 2.555 -2.968 -8.393 1.00 0.00 C ATOM 71 CG TRP A 8 1.382 -3.842 -8.717 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.376 -3.571 -9.600 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.091 -5.128 -8.156 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.521 -4.611 -9.624 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.105 -5.579 -8.748 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.726 -5.942 -7.215 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.678 -6.806 -8.427 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.156 -7.160 -6.897 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.035 -7.584 -7.502 1.00 0.00 C ATOM 0 H TRP A 8 3.174 -5.376 -9.594 1.00 0.00 H new ATOM 0 HA TRP A 8 4.610 -2.851 -9.009 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.522 -2.705 -7.336 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.472 -2.038 -8.955 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.297 -2.671 -10.192 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.361 -4.655 -10.201 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.645 -5.625 -6.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.597 -7.133 -8.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.637 -7.797 -6.169 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.453 -8.543 -7.233 1.00 0.00 H new ATOM 90 N TYR A 9 5.158 -5.414 -7.659 1.00 0.00 N ATOM 91 CA TYR A 9 5.731 -6.168 -6.550 1.00 0.00 C ATOM 92 C TYR A 9 7.199 -5.805 -6.346 1.00 0.00 C ATOM 93 O TYR A 9 8.042 -6.078 -7.202 1.00 0.00 O ATOM 94 CB TYR A 9 5.594 -7.670 -6.802 1.00 0.00 C ATOM 95 CG TYR A 9 5.524 -8.493 -5.535 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.336 -8.607 -4.823 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.645 -9.156 -5.050 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.268 -9.357 -3.665 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.584 -9.909 -3.895 1.00 0.00 C ATOM 100 CZ TYR A 9 5.394 -10.006 -3.205 1.00 0.00 C ATOM 101 OH TYR A 9 5.331 -10.755 -2.052 1.00 0.00 O ATOM 0 H TYR A 9 5.352 -5.806 -8.580 1.00 0.00 H new ATOM 0 HA TYR A 9 5.183 -5.908 -5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.696 -7.850 -7.392 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.441 -8.008 -7.399 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.452 -8.101 -5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.580 -9.081 -5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.337 -9.435 -3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.464 -10.420 -3.533 1.00 0.00 H new ATOM 0 HH TYR A 9 4.492 -10.563 -1.583 1.00 0.00 H new ATOM 111 N HIS A 10 7.497 -5.192 -5.206 1.00 0.00 N ATOM 112 CA HIS A 10 8.864 -4.793 -4.888 1.00 0.00 C ATOM 113 C HIS A 10 9.577 -5.883 -4.093 1.00 0.00 C ATOM 114 O HIS A 10 10.620 -6.387 -4.509 1.00 0.00 O ATOM 115 CB HIS A 10 8.865 -3.485 -4.096 1.00 0.00 C ATOM 116 CG HIS A 10 8.432 -2.298 -4.900 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.319 -1.382 -5.427 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.199 -1.879 -5.268 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.649 -0.451 -6.083 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.361 -0.730 -6.002 1.00 0.00 N ATOM 0 H HIS A 10 6.812 -4.960 -4.487 1.00 0.00 H new ATOM 0 HA HIS A 10 9.399 -4.642 -5.825 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.205 -3.591 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.868 -3.305 -3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.262 -2.359 -5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.081 0.394 -6.598 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.608 -0.181 -6.417 1.00 0.00 H new ATOM 129 N GLY A 11 9.007 -6.242 -2.946 1.00 0.00 N ATOM 130 CA GLY A 11 9.603 -7.269 -2.112 1.00 0.00 C ATOM 131 C GLY A 11 10.261 -6.698 -0.872 1.00 0.00 C ATOM 132 O GLY A 11 9.642 -5.942 -0.123 1.00 0.00 O ATOM 0 H GLY A 11 8.144 -5.840 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.835 -7.983 -1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.344 -7.819 -2.692 1.00 0.00 H new ATOM 136 N HIS A 12 11.521 -7.062 -0.652 1.00 0.00 N ATOM 137 CA HIS A 12 12.264 -6.582 0.508 1.00 0.00 C ATOM 138 C HIS A 12 12.078 -5.078 0.688 1.00 0.00 C ATOM 139 O HIS A 12 12.432 -4.290 -0.188 1.00 0.00 O ATOM 140 CB HIS A 12 13.750 -6.909 0.359 1.00 0.00 C ATOM 141 CG HIS A 12 14.051 -8.376 0.428 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.538 -9.203 1.404 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.814 -9.160 -0.366 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.974 -10.434 1.208 1.00 0.00 C ATOM 145 NE2 HIS A 12 14.750 -10.436 0.139 1.00 0.00 N ATOM 0 H HIS A 12 12.048 -7.687 -1.261 1.00 0.00 H new ATOM 0 HA HIS A 12 11.875 -7.087 1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.106 -6.518 -0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.307 -6.395 1.142 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.370 -8.842 -1.235 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.737 -11.293 1.818 1.00 0.00 H new ATOM 0 HE2 HIS A 12 15.224 -11.252 -0.248 1.00 0.00 H new ATOM 154 N MET A 13 11.520 -4.688 1.829 1.00 0.00 N ATOM 155 CA MET A 13 11.287 -3.279 2.123 1.00 0.00 C ATOM 156 C MET A 13 10.759 -3.100 3.543 1.00 0.00 C ATOM 157 O MET A 13 10.092 -3.983 4.083 1.00 0.00 O ATOM 158 CB MET A 13 10.298 -2.683 1.120 1.00 0.00 C ATOM 159 CG MET A 13 10.138 -1.176 1.245 1.00 0.00 C ATOM 160 SD MET A 13 9.240 -0.455 -0.141 1.00 0.00 S ATOM 161 CE MET A 13 10.415 -0.701 -1.471 1.00 0.00 C ATOM 0 H MET A 13 11.221 -5.328 2.565 1.00 0.00 H new ATOM 0 HA MET A 13 12.239 -2.754 2.039 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.630 -2.922 0.110 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.325 -3.156 1.257 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.613 -0.946 2.172 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.123 -0.715 1.314 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.995 -0.321 -2.402 1.00 0.00 H new ATOM 0 HE2 MET A 13 11.338 -0.167 -1.245 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.628 -1.765 -1.576 1.00 0.00 H new ATOM 171 N SER A 14 11.062 -1.953 4.143 1.00 0.00 N ATOM 172 CA SER A 14 10.621 -1.660 5.501 1.00 0.00 C ATOM 173 C SER A 14 9.552 -0.573 5.503 1.00 0.00 C ATOM 174 O SER A 14 9.508 0.272 4.608 1.00 0.00 O ATOM 175 CB SER A 14 11.809 -1.227 6.362 1.00 0.00 C ATOM 176 OG SER A 14 12.871 -2.160 6.274 1.00 0.00 O ATOM 0 H SER A 14 11.612 -1.211 3.709 1.00 0.00 H new ATOM 0 HA SER A 14 10.189 -2.568 5.921 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.156 -0.245 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.493 -1.129 7.400 1.00 0.00 H new ATOM 0 HG SER A 14 13.618 -1.859 6.832 1.00 0.00 H new ATOM 182 N GLY A 15 8.691 -0.599 6.516 1.00 0.00 N ATOM 183 CA GLY A 15 7.633 0.390 6.617 1.00 0.00 C ATOM 184 C GLY A 15 8.130 1.799 6.355 1.00 0.00 C ATOM 185 O GLY A 15 7.795 2.403 5.337 1.00 0.00 O ATOM 0 H GLY A 15 8.707 -1.287 7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.844 0.148 5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.190 0.343 7.612 1.00 0.00 H new ATOM 189 N GLY A 16 8.929 2.323 7.279 1.00 0.00 N ATOM 190 CA GLY A 16 9.457 3.667 7.125 1.00 0.00 C ATOM 191 C GLY A 16 10.019 3.914 5.739 1.00 0.00 C ATOM 192 O GLY A 16 10.045 5.051 5.268 1.00 0.00 O ATOM 0 H GLY A 16 9.220 1.842 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.667 4.390 7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.239 3.834 7.866 1.00 0.00 H new ATOM 196 N GLN A 17 10.470 2.849 5.087 1.00 0.00 N ATOM 197 CA GLN A 17 11.037 2.957 3.747 1.00 0.00 C ATOM 198 C GLN A 17 9.960 3.322 2.729 1.00 0.00 C ATOM 199 O GLN A 17 9.995 4.400 2.137 1.00 0.00 O ATOM 200 CB GLN A 17 11.708 1.642 3.347 1.00 0.00 C ATOM 201 CG GLN A 17 12.850 1.818 2.359 1.00 0.00 C ATOM 202 CD GLN A 17 13.515 0.506 1.995 1.00 0.00 C ATOM 203 OE1 GLN A 17 13.203 -0.540 2.565 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.436 0.553 1.039 1.00 0.00 N ATOM 0 H GLN A 17 10.454 1.901 5.464 1.00 0.00 H new ATOM 0 HA GLN A 17 11.785 3.750 3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.086 1.149 4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.960 0.980 2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.472 2.293 1.454 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.593 2.492 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.663 1.442 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.916 -0.300 0.751 1.00 0.00 H new ATOM 213 N ALA A 18 9.008 2.418 2.532 1.00 0.00 N ATOM 214 CA ALA A 18 7.921 2.646 1.588 1.00 0.00 C ATOM 215 C ALA A 18 7.474 4.104 1.607 1.00 0.00 C ATOM 216 O ALA A 18 7.370 4.743 0.561 1.00 0.00 O ATOM 217 CB ALA A 18 6.748 1.729 1.900 1.00 0.00 C ATOM 0 H ALA A 18 8.967 1.520 3.014 1.00 0.00 H new ATOM 0 HA ALA A 18 8.289 2.418 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.944 1.911 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.069 0.690 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.389 1.928 2.910 1.00 0.00 H new ATOM 223 N GLU A 19 7.211 4.621 2.803 1.00 0.00 N ATOM 224 CA GLU A 19 6.774 6.005 2.956 1.00 0.00 C ATOM 225 C GLU A 19 7.639 6.944 2.121 1.00 0.00 C ATOM 226 O GLU A 19 7.127 7.785 1.381 1.00 0.00 O ATOM 227 CB GLU A 19 6.826 6.419 4.428 1.00 0.00 C ATOM 228 CG GLU A 19 5.537 6.145 5.183 1.00 0.00 C ATOM 229 CD GLU A 19 5.340 7.080 6.361 1.00 0.00 C ATOM 230 OE1 GLU A 19 5.993 8.144 6.389 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.532 6.747 7.253 1.00 0.00 O ATOM 0 H GLU A 19 7.292 4.104 3.679 1.00 0.00 H new ATOM 0 HA GLU A 19 5.746 6.076 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.643 5.889 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.054 7.483 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.693 6.244 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.541 5.115 5.539 1.00 0.00 H new ATOM 238 N THR A 20 8.954 6.796 2.244 1.00 0.00 N ATOM 239 CA THR A 20 9.891 7.631 1.504 1.00 0.00 C ATOM 240 C THR A 20 9.700 7.472 -0.001 1.00 0.00 C ATOM 241 O THR A 20 9.350 8.426 -0.696 1.00 0.00 O ATOM 242 CB THR A 20 11.351 7.293 1.862 1.00 0.00 C ATOM 243 OG1 THR A 20 11.555 7.438 3.272 1.00 0.00 O ATOM 244 CG2 THR A 20 12.316 8.196 1.109 1.00 0.00 C ATOM 0 H THR A 20 9.395 6.104 2.850 1.00 0.00 H new ATOM 0 HA THR A 20 9.685 8.663 1.788 1.00 0.00 H new ATOM 0 HB THR A 20 11.544 6.260 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.485 7.220 3.492 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.340 7.939 1.378 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.178 8.062 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.122 9.236 1.372 1.00 0.00 H new ATOM 252 N LEU A 21 9.928 6.261 -0.497 1.00 0.00 N ATOM 253 CA LEU A 21 9.780 5.976 -1.920 1.00 0.00 C ATOM 254 C LEU A 21 8.475 6.554 -2.457 1.00 0.00 C ATOM 255 O LEU A 21 8.456 7.203 -3.503 1.00 0.00 O ATOM 256 CB LEU A 21 9.821 4.466 -2.164 1.00 0.00 C ATOM 257 CG LEU A 21 11.057 3.735 -1.641 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.860 3.324 -0.190 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.363 2.521 -2.505 1.00 0.00 C ATOM 0 H LEU A 21 10.216 5.460 0.065 1.00 0.00 H new ATOM 0 HA LEU A 21 10.609 6.446 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.939 4.020 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.746 4.289 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 21 11.907 4.415 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.750 2.805 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.690 4.211 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.998 2.661 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.246 2.012 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.514 1.838 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.549 2.841 -3.530 1.00 0.00 H new ATOM 271 N LEU A 22 7.386 6.317 -1.734 1.00 0.00 N ATOM 272 CA LEU A 22 6.076 6.817 -2.137 1.00 0.00 C ATOM 273 C LEU A 22 6.046 8.342 -2.119 1.00 0.00 C ATOM 274 O LEU A 22 5.900 8.980 -3.161 1.00 0.00 O ATOM 275 CB LEU A 22 4.991 6.263 -1.211 1.00 0.00 C ATOM 276 CG LEU A 22 4.412 4.901 -1.595 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.449 4.410 -0.526 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.718 4.977 -2.947 1.00 0.00 C ATOM 0 H LEU A 22 7.384 5.782 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 22 5.883 6.481 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.403 6.189 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.174 6.984 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 22 5.233 4.188 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.047 3.439 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.977 4.315 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.632 5.123 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.312 3.998 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.908 5.705 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.436 5.283 -3.708 1.00 0.00 H new ATOM 290 N GLN A 23 6.187 8.918 -0.930 1.00 0.00 N ATOM 291 CA GLN A 23 6.177 10.368 -0.778 1.00 0.00 C ATOM 292 C GLN A 23 7.055 11.032 -1.834 1.00 0.00 C ATOM 293 O GLN A 23 6.737 12.112 -2.329 1.00 0.00 O ATOM 294 CB GLN A 23 6.657 10.758 0.621 1.00 0.00 C ATOM 295 CG GLN A 23 5.620 10.527 1.707 1.00 0.00 C ATOM 296 CD GLN A 23 6.136 10.872 3.091 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.338 11.041 3.293 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.226 10.979 4.052 1.00 0.00 N ATOM 0 H GLN A 23 6.309 8.403 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 23 5.153 10.716 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.554 10.187 0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.940 11.811 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.736 11.127 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.308 9.483 1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.240 10.830 3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.513 11.210 5.003 1.00 0.00 H new ATOM 307 N ALA A 24 8.161 10.377 -2.173 1.00 0.00 N ATOM 308 CA ALA A 24 9.084 10.903 -3.170 1.00 0.00 C ATOM 309 C ALA A 24 8.420 10.993 -4.540 1.00 0.00 C ATOM 310 O ALA A 24 8.613 11.962 -5.274 1.00 0.00 O ATOM 311 CB ALA A 24 10.333 10.038 -3.244 1.00 0.00 C ATOM 0 H ALA A 24 8.439 9.481 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 24 9.371 11.910 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.013 10.444 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.827 10.029 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.055 9.021 -3.519 1.00 0.00 H new ATOM 317 N LYS A 25 7.636 9.974 -4.880 1.00 0.00 N ATOM 318 CA LYS A 25 6.942 9.937 -6.161 1.00 0.00 C ATOM 319 C LYS A 25 6.064 11.172 -6.341 1.00 0.00 C ATOM 320 O LYS A 25 5.910 11.681 -7.450 1.00 0.00 O ATOM 321 CB LYS A 25 6.087 8.672 -6.265 1.00 0.00 C ATOM 322 CG LYS A 25 5.267 8.594 -7.541 1.00 0.00 C ATOM 323 CD LYS A 25 6.089 8.054 -8.700 1.00 0.00 C ATOM 324 CE LYS A 25 6.766 9.174 -9.474 1.00 0.00 C ATOM 325 NZ LYS A 25 5.914 9.667 -10.593 1.00 0.00 N ATOM 0 H LYS A 25 7.466 9.163 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 25 7.692 9.928 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.737 7.799 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.415 8.627 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.400 7.953 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.889 9.585 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.844 7.364 -8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.445 7.485 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.991 9.999 -8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.717 8.819 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.508 9.854 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.202 8.947 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.436 10.545 -10.305 1.00 0.00 H new ATOM 339 N GLY A 26 5.491 11.650 -5.241 1.00 0.00 N ATOM 340 CA GLY A 26 4.637 12.823 -5.298 1.00 0.00 C ATOM 341 C GLY A 26 3.414 12.606 -6.167 1.00 0.00 C ATOM 342 O GLY A 26 2.896 13.549 -6.766 1.00 0.00 O ATOM 0 H GLY A 26 5.603 11.246 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.320 13.088 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.209 13.667 -5.684 1.00 0.00 H new ATOM 346 N GLU A 27 2.952 11.362 -6.239 1.00 0.00 N ATOM 347 CA GLU A 27 1.784 11.026 -7.044 1.00 0.00 C ATOM 348 C GLU A 27 0.668 10.457 -6.172 1.00 0.00 C ATOM 349 O GLU A 27 0.847 9.471 -5.456 1.00 0.00 O ATOM 350 CB GLU A 27 2.160 10.019 -8.132 1.00 0.00 C ATOM 351 CG GLU A 27 2.676 10.664 -9.407 1.00 0.00 C ATOM 352 CD GLU A 27 1.563 11.020 -10.373 1.00 0.00 C ATOM 353 OE1 GLU A 27 0.803 11.967 -10.081 1.00 0.00 O ATOM 354 OE2 GLU A 27 1.452 10.351 -11.422 1.00 0.00 O ATOM 0 H GLU A 27 3.369 10.570 -5.750 1.00 0.00 H new ATOM 0 HA GLU A 27 1.423 11.941 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.922 9.344 -7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.287 9.411 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.234 11.565 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.373 9.985 -9.897 1.00 0.00 H new ATOM 361 N PRO A 28 -0.512 11.091 -6.232 1.00 0.00 N ATOM 362 CA PRO A 28 -1.680 10.667 -5.455 1.00 0.00 C ATOM 363 C PRO A 28 -2.256 9.344 -5.951 1.00 0.00 C ATOM 364 O PRO A 28 -2.271 9.075 -7.152 1.00 0.00 O ATOM 365 CB PRO A 28 -2.683 11.802 -5.675 1.00 0.00 C ATOM 366 CG PRO A 28 -2.292 12.408 -6.977 1.00 0.00 C ATOM 367 CD PRO A 28 -0.796 12.273 -7.064 1.00 0.00 C ATOM 0 HA PRO A 28 -1.433 10.495 -4.407 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.706 11.426 -5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.636 12.533 -4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.779 11.897 -7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.593 13.454 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.464 12.130 -8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.290 13.161 -6.687 1.00 0.00 H new ATOM 375 N TRP A 29 -2.728 8.524 -5.019 1.00 0.00 N ATOM 376 CA TRP A 29 -3.305 7.229 -5.362 1.00 0.00 C ATOM 377 C TRP A 29 -2.241 6.287 -5.913 1.00 0.00 C ATOM 378 O TRP A 29 -2.527 5.431 -6.750 1.00 0.00 O ATOM 379 CB TRP A 29 -4.428 7.404 -6.384 1.00 0.00 C ATOM 380 CG TRP A 29 -5.284 8.607 -6.128 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.669 9.548 -7.040 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.858 8.999 -4.876 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.448 10.502 -6.430 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.580 10.187 -5.103 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.835 8.461 -3.587 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.269 10.845 -4.088 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.520 9.115 -2.580 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.229 10.296 -2.835 1.00 0.00 C ATOM 0 H TRP A 29 -2.723 8.732 -4.021 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.715 6.790 -4.453 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.993 7.482 -7.381 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.056 6.513 -6.379 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.401 9.543 -8.086 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.861 11.313 -6.890 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.292 7.551 -3.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.815 11.756 -4.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.508 8.708 -1.579 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.754 10.783 -2.027 1.00 0.00 H new ATOM 399 N THR A 30 -1.009 6.451 -5.440 1.00 0.00 N ATOM 400 CA THR A 30 0.099 5.616 -5.887 1.00 0.00 C ATOM 401 C THR A 30 0.275 4.405 -4.978 1.00 0.00 C ATOM 402 O THR A 30 0.908 4.492 -3.927 1.00 0.00 O ATOM 403 CB THR A 30 1.420 6.409 -5.928 1.00 0.00 C ATOM 404 OG1 THR A 30 1.310 7.495 -6.855 1.00 0.00 O ATOM 405 CG2 THR A 30 2.578 5.508 -6.327 1.00 0.00 C ATOM 0 H THR A 30 -0.754 7.155 -4.747 1.00 0.00 H new ATOM 0 HA THR A 30 -0.145 5.279 -6.895 1.00 0.00 H new ATOM 0 HB THR A 30 1.615 6.803 -4.930 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.599 8.103 -6.564 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.500 6.089 -6.349 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.676 4.699 -5.603 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.389 5.089 -7.315 1.00 0.00 H new ATOM 413 N PHE A 31 -0.288 3.274 -5.393 1.00 0.00 N ATOM 414 CA PHE A 31 -0.193 2.043 -4.615 1.00 0.00 C ATOM 415 C PHE A 31 1.058 1.257 -4.994 1.00 0.00 C ATOM 416 O PHE A 31 1.620 1.444 -6.074 1.00 0.00 O ATOM 417 CB PHE A 31 -1.438 1.181 -4.833 1.00 0.00 C ATOM 418 CG PHE A 31 -1.452 0.472 -6.157 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.937 1.105 -7.291 1.00 0.00 C ATOM 420 CD2 PHE A 31 -0.982 -0.826 -6.268 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.951 0.457 -8.511 1.00 0.00 C ATOM 422 CE2 PHE A 31 -0.994 -1.479 -7.486 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.480 -0.839 -8.609 1.00 0.00 C ATOM 0 H PHE A 31 -0.814 3.184 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.126 2.311 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.503 0.443 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.324 1.811 -4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.308 2.117 -7.220 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.602 -1.333 -5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.329 0.962 -9.387 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.623 -2.491 -7.560 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.492 -1.349 -9.561 1.00 0.00 H new ATOM 433 N LEU A 32 1.489 0.375 -4.099 1.00 0.00 N ATOM 434 CA LEU A 32 2.674 -0.441 -4.337 1.00 0.00 C ATOM 435 C LEU A 32 2.715 -1.632 -3.385 1.00 0.00 C ATOM 436 O LEU A 32 2.554 -1.478 -2.174 1.00 0.00 O ATOM 437 CB LEU A 32 3.940 0.402 -4.173 1.00 0.00 C ATOM 438 CG LEU A 32 4.492 0.514 -2.752 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.319 -0.712 -2.402 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.322 1.781 -2.601 1.00 0.00 C ATOM 0 H LEU A 32 1.035 0.207 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 32 2.626 -0.818 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.717 -0.018 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.734 1.407 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 32 3.652 0.569 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.703 -0.614 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.695 -1.603 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.153 -0.800 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.707 1.845 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.155 1.756 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.699 2.651 -2.808 1.00 0.00 H new ATOM 452 N VAL A 33 2.934 -2.820 -3.939 1.00 0.00 N ATOM 453 CA VAL A 33 3.001 -4.037 -3.139 1.00 0.00 C ATOM 454 C VAL A 33 4.432 -4.331 -2.704 1.00 0.00 C ATOM 455 O VAL A 33 5.375 -4.156 -3.475 1.00 0.00 O ATOM 456 CB VAL A 33 2.453 -5.250 -3.915 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.313 -6.453 -2.997 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.121 -4.907 -4.567 1.00 0.00 C ATOM 0 H VAL A 33 3.068 -2.966 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 33 2.383 -3.870 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 33 3.162 -5.506 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.925 -7.300 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.288 -6.710 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.626 -6.213 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.748 -5.775 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.402 -4.624 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.258 -4.076 -5.259 1.00 0.00 H new ATOM 468 N ARG A 34 4.586 -4.779 -1.462 1.00 0.00 N ATOM 469 CA ARG A 34 5.903 -5.097 -0.923 1.00 0.00 C ATOM 470 C ARG A 34 5.810 -6.208 0.119 1.00 0.00 C ATOM 471 O ARG A 34 4.809 -6.326 0.827 1.00 0.00 O ATOM 472 CB ARG A 34 6.537 -3.852 -0.300 1.00 0.00 C ATOM 473 CG ARG A 34 5.640 -3.150 0.707 1.00 0.00 C ATOM 474 CD ARG A 34 6.448 -2.305 1.678 1.00 0.00 C ATOM 475 NE ARG A 34 6.914 -3.082 2.825 1.00 0.00 N ATOM 476 CZ ARG A 34 6.181 -3.301 3.910 1.00 0.00 C ATOM 477 NH1 ARG A 34 4.954 -2.806 3.997 1.00 0.00 N ATOM 478 NH2 ARG A 34 6.675 -4.018 4.911 1.00 0.00 N ATOM 0 H ARG A 34 3.816 -4.930 -0.811 1.00 0.00 H new ATOM 0 HA ARG A 34 6.530 -5.444 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.468 -4.136 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.796 -3.151 -1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.925 -2.518 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.063 -3.891 1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.305 -1.876 1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.838 -1.472 2.028 1.00 0.00 H new ATOM 0 HE ARG A 34 7.854 -3.477 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.571 -2.255 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.393 -2.976 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.618 -4.401 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.112 -4.186 5.745 1.00 0.00 H new ATOM 492 N GLU A 35 6.859 -7.019 0.208 1.00 0.00 N ATOM 493 CA GLU A 35 6.894 -8.121 1.162 1.00 0.00 C ATOM 494 C GLU A 35 7.275 -7.623 2.554 1.00 0.00 C ATOM 495 O GLU A 35 8.308 -6.981 2.734 1.00 0.00 O ATOM 496 CB GLU A 35 7.886 -9.192 0.702 1.00 0.00 C ATOM 497 CG GLU A 35 7.344 -10.094 -0.392 1.00 0.00 C ATOM 498 CD GLU A 35 8.357 -11.122 -0.857 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.519 -12.151 -0.165 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.989 -10.900 -1.910 1.00 0.00 O ATOM 0 H GLU A 35 7.696 -6.934 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 35 5.896 -8.558 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.793 -8.705 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.170 -9.804 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.454 -10.606 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.035 -9.484 -1.241 1.00 0.00 H new ATOM 507 N SER A 36 6.429 -7.925 3.534 1.00 0.00 N ATOM 508 CA SER A 36 6.673 -7.505 4.909 1.00 0.00 C ATOM 509 C SER A 36 8.073 -7.911 5.361 1.00 0.00 C ATOM 510 O SER A 36 8.867 -8.428 4.573 1.00 0.00 O ATOM 511 CB SER A 36 5.627 -8.114 5.845 1.00 0.00 C ATOM 512 OG SER A 36 4.314 -7.856 5.377 1.00 0.00 O ATOM 0 H SER A 36 5.570 -8.458 3.402 1.00 0.00 H new ATOM 0 HA SER A 36 6.597 -6.418 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.785 -9.190 5.921 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.747 -7.702 6.847 1.00 0.00 H new ATOM 0 HG SER A 36 3.669 -8.352 5.923 1.00 0.00 H new ATOM 586 N ASP A 42 2.718 -12.961 4.933 1.00 0.00 N ATOM 587 CA ASP A 42 1.941 -11.731 5.028 1.00 0.00 C ATOM 588 C ASP A 42 2.403 -10.715 3.988 1.00 0.00 C ATOM 589 O ASP A 42 3.467 -10.866 3.387 1.00 0.00 O ATOM 590 CB ASP A 42 2.061 -11.134 6.432 1.00 0.00 C ATOM 591 CG ASP A 42 1.191 -9.907 6.616 1.00 0.00 C ATOM 592 OD1 ASP A 42 1.622 -8.808 6.208 1.00 0.00 O ATOM 593 OD2 ASP A 42 0.079 -10.045 7.168 1.00 0.00 O ATOM 0 HA ASP A 42 0.896 -11.974 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.782 -11.887 7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.101 -10.870 6.624 1.00 0.00 H new ATOM 598 N PHE A 43 1.596 -9.680 3.781 1.00 0.00 N ATOM 599 CA PHE A 43 1.920 -8.640 2.812 1.00 0.00 C ATOM 600 C PHE A 43 1.421 -7.278 3.287 1.00 0.00 C ATOM 601 O PHE A 43 0.770 -7.172 4.327 1.00 0.00 O ATOM 602 CB PHE A 43 1.309 -8.973 1.449 1.00 0.00 C ATOM 603 CG PHE A 43 1.648 -10.351 0.961 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.155 -11.472 1.608 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.462 -10.526 -0.147 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.466 -12.742 1.160 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.776 -11.794 -0.601 1.00 0.00 C ATOM 608 CZ PHE A 43 2.278 -12.903 0.055 1.00 0.00 C ATOM 0 H PHE A 43 0.713 -9.539 4.271 1.00 0.00 H new ATOM 0 HA PHE A 43 3.005 -8.596 2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.225 -8.875 1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.653 -8.242 0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.520 -11.352 2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.856 -9.662 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.074 -13.607 1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.410 -11.917 -1.467 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.523 -13.894 -0.296 1.00 0.00 H new ATOM 618 N VAL A 44 1.732 -6.239 2.519 1.00 0.00 N ATOM 619 CA VAL A 44 1.314 -4.885 2.861 1.00 0.00 C ATOM 620 C VAL A 44 1.012 -4.070 1.607 1.00 0.00 C ATOM 621 O VAL A 44 1.755 -4.120 0.627 1.00 0.00 O ATOM 622 CB VAL A 44 2.394 -4.155 3.684 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.018 -2.695 3.883 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.599 -4.849 5.023 1.00 0.00 C ATOM 0 H VAL A 44 2.272 -6.309 1.656 1.00 0.00 H new ATOM 0 HA VAL A 44 0.408 -4.975 3.461 1.00 0.00 H new ATOM 0 HB VAL A 44 3.334 -4.190 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.792 -2.196 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.924 -2.208 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.068 -2.633 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.364 -4.322 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.663 -4.845 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.916 -5.878 4.855 1.00 0.00 H new ATOM 634 N LEU A 45 -0.084 -3.320 1.647 1.00 0.00 N ATOM 635 CA LEU A 45 -0.486 -2.494 0.514 1.00 0.00 C ATOM 636 C LEU A 45 -0.343 -1.011 0.845 1.00 0.00 C ATOM 637 O LEU A 45 -1.227 -0.414 1.459 1.00 0.00 O ATOM 638 CB LEU A 45 -1.931 -2.804 0.119 1.00 0.00 C ATOM 639 CG LEU A 45 -2.606 -1.790 -0.806 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.941 -1.790 -2.174 1.00 0.00 C ATOM 641 CD2 LEU A 45 -4.092 -2.091 -0.934 1.00 0.00 C ATOM 0 H LEU A 45 -0.709 -3.267 2.451 1.00 0.00 H new ATOM 0 HA LEU A 45 0.170 -2.725 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.953 -3.780 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.525 -2.888 1.029 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.493 -0.798 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.435 -1.063 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.889 -1.525 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.022 -2.782 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.556 -1.359 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.226 -3.091 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.560 -2.039 0.049 1.00 0.00 H new ATOM 653 N SER A 46 0.774 -0.423 0.430 1.00 0.00 N ATOM 654 CA SER A 46 1.032 0.990 0.683 1.00 0.00 C ATOM 655 C SER A 46 0.439 1.858 -0.423 1.00 0.00 C ATOM 656 O SER A 46 0.526 1.524 -1.605 1.00 0.00 O ATOM 657 CB SER A 46 2.537 1.244 0.791 1.00 0.00 C ATOM 658 OG SER A 46 3.131 0.382 1.749 1.00 0.00 O ATOM 0 H SER A 46 1.514 -0.902 -0.082 1.00 0.00 H new ATOM 0 HA SER A 46 0.556 1.257 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.006 1.091 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.715 2.282 1.071 1.00 0.00 H new ATOM 0 HG SER A 46 4.093 0.562 1.799 1.00 0.00 H new ATOM 664 N VAL A 47 -0.167 2.974 -0.029 1.00 0.00 N ATOM 665 CA VAL A 47 -0.775 3.892 -0.985 1.00 0.00 C ATOM 666 C VAL A 47 -0.586 5.341 -0.553 1.00 0.00 C ATOM 667 O VAL A 47 -0.801 5.687 0.610 1.00 0.00 O ATOM 668 CB VAL A 47 -2.280 3.610 -1.153 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.936 4.695 -1.995 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.499 2.238 -1.773 1.00 0.00 C ATOM 0 H VAL A 47 -0.250 3.264 0.945 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.274 3.733 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.745 3.617 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.999 4.479 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.810 5.661 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.470 4.723 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.568 2.055 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.021 2.200 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.066 1.474 -1.128 1.00 0.00 H new ATOM 680 N LEU A 48 -0.183 6.186 -1.495 1.00 0.00 N ATOM 681 CA LEU A 48 0.034 7.601 -1.212 1.00 0.00 C ATOM 682 C LEU A 48 -1.244 8.403 -1.431 1.00 0.00 C ATOM 683 O LEU A 48 -1.554 8.802 -2.554 1.00 0.00 O ATOM 684 CB LEU A 48 1.154 8.152 -2.097 1.00 0.00 C ATOM 685 CG LEU A 48 1.767 9.481 -1.655 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.464 9.326 -0.312 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.740 9.995 -2.705 1.00 0.00 C ATOM 0 H LEU A 48 0.000 5.916 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 48 0.325 7.696 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.949 7.408 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.765 8.273 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 48 0.964 10.210 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.894 10.282 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.742 9.003 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.256 8.582 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.167 10.942 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.539 9.267 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.213 10.145 -3.647 1.00 0.00 H new ATOM 699 N SER A 49 -1.982 8.639 -0.350 1.00 0.00 N ATOM 700 CA SER A 49 -3.227 9.393 -0.424 1.00 0.00 C ATOM 701 C SER A 49 -2.987 10.784 -1.004 1.00 0.00 C ATOM 702 O SER A 49 -1.895 11.339 -0.881 1.00 0.00 O ATOM 703 CB SER A 49 -3.861 9.509 0.963 1.00 0.00 C ATOM 704 OG SER A 49 -2.923 9.978 1.915 1.00 0.00 O ATOM 0 H SER A 49 -1.738 8.318 0.587 1.00 0.00 H new ATOM 0 HA SER A 49 -3.909 8.856 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.712 10.189 0.921 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.244 8.537 1.274 1.00 0.00 H new ATOM 0 HG SER A 49 -3.159 10.890 2.184 1.00 0.00 H new ATOM 710 N ASP A 50 -4.014 11.340 -1.636 1.00 0.00 N ATOM 711 CA ASP A 50 -3.918 12.667 -2.233 1.00 0.00 C ATOM 712 C ASP A 50 -4.009 13.753 -1.166 1.00 0.00 C ATOM 713 O ASP A 50 -3.971 14.943 -1.474 1.00 0.00 O ATOM 714 CB ASP A 50 -5.021 12.863 -3.274 1.00 0.00 C ATOM 715 CG ASP A 50 -5.088 14.289 -3.785 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.208 14.673 -4.584 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.019 15.019 -3.387 1.00 0.00 O ATOM 0 H ASP A 50 -4.924 10.892 -1.748 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.948 12.747 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.850 12.187 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.982 12.591 -2.837 1.00 0.00 H new ATOM 722 N GLN A 51 -4.130 13.332 0.090 1.00 0.00 N ATOM 723 CA GLN A 51 -4.229 14.268 1.202 1.00 0.00 C ATOM 724 C GLN A 51 -2.849 14.593 1.765 1.00 0.00 C ATOM 725 O GLN A 51 -2.176 13.744 2.350 1.00 0.00 O ATOM 726 CB GLN A 51 -5.121 13.693 2.304 1.00 0.00 C ATOM 727 CG GLN A 51 -6.601 13.707 1.958 1.00 0.00 C ATOM 728 CD GLN A 51 -7.474 13.264 3.115 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.388 13.806 4.217 1.00 0.00 O ATOM 730 NE2 GLN A 51 -8.323 12.272 2.871 1.00 0.00 N ATOM 0 H GLN A 51 -4.162 12.349 0.361 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.675 15.190 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.814 12.668 2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.965 14.263 3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.890 14.713 1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.777 13.053 1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.362 11.851 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.936 11.932 3.612 1.00 0.00 H new ATOM 739 N PRO A 52 -2.417 15.850 1.587 1.00 0.00 N ATOM 740 CA PRO A 52 -1.114 16.315 2.070 1.00 0.00 C ATOM 741 C PRO A 52 -1.059 16.408 3.591 1.00 0.00 C ATOM 742 O PRO A 52 -2.074 16.646 4.246 1.00 0.00 O ATOM 743 CB PRO A 52 -0.978 17.706 1.444 1.00 0.00 C ATOM 744 CG PRO A 52 -2.380 18.156 1.216 1.00 0.00 C ATOM 745 CD PRO A 52 -3.167 16.914 0.900 1.00 0.00 C ATOM 0 HA PRO A 52 -0.311 15.630 1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.446 18.388 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.418 17.667 0.510 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.778 18.656 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.432 18.871 0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.191 16.984 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.223 16.737 -0.174 1.00 0.00 H new ATOM 753 N LYS A 53 0.132 16.219 4.149 1.00 0.00 N ATOM 754 CA LYS A 53 0.321 16.284 5.593 1.00 0.00 C ATOM 755 C LYS A 53 -0.119 17.639 6.140 1.00 0.00 C ATOM 756 O LYS A 53 -0.810 17.714 7.155 1.00 0.00 O ATOM 757 CB LYS A 53 1.787 16.030 5.948 1.00 0.00 C ATOM 758 CG LYS A 53 2.179 14.563 5.906 1.00 0.00 C ATOM 759 CD LYS A 53 3.587 14.347 6.435 1.00 0.00 C ATOM 760 CE LYS A 53 3.588 14.123 7.940 1.00 0.00 C ATOM 761 NZ LYS A 53 4.957 13.849 8.459 1.00 0.00 N ATOM 0 H LYS A 53 0.982 16.019 3.622 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.296 15.510 6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.421 16.586 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.983 16.421 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.473 13.980 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.114 14.197 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.036 13.487 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.204 15.213 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.180 15.002 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.933 13.286 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.915 13.702 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.337 12.995 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.576 14.658 8.250 1.00 0.00 H new ATOM 775 N ALA A 54 0.285 18.705 5.458 1.00 0.00 N ATOM 776 CA ALA A 54 -0.071 20.057 5.873 1.00 0.00 C ATOM 777 C ALA A 54 -0.804 20.798 4.760 1.00 0.00 C ATOM 778 O ALA A 54 -2.013 21.013 4.837 1.00 0.00 O ATOM 779 CB ALA A 54 1.174 20.825 6.289 1.00 0.00 C ATOM 0 H ALA A 54 0.859 18.659 4.616 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.743 19.983 6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.894 21.833 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.657 20.313 7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.865 20.881 5.448 1.00 0.00 H new ATOM 785 N GLY A 55 -0.065 21.186 3.726 1.00 0.00 N ATOM 786 CA GLY A 55 -0.663 21.899 2.613 1.00 0.00 C ATOM 787 C GLY A 55 0.016 21.590 1.294 1.00 0.00 C ATOM 788 O GLY A 55 0.612 20.528 1.112 1.00 0.00 O ATOM 0 H GLY A 55 0.938 21.019 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.719 21.638 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.611 22.971 2.802 1.00 0.00 H new ATOM 792 N PRO A 56 -0.071 22.532 0.342 1.00 0.00 N ATOM 793 CA PRO A 56 0.533 22.376 -0.984 1.00 0.00 C ATOM 794 C PRO A 56 2.056 22.425 -0.937 1.00 0.00 C ATOM 795 O PRO A 56 2.659 23.472 -1.167 1.00 0.00 O ATOM 796 CB PRO A 56 -0.018 23.570 -1.767 1.00 0.00 C ATOM 797 CG PRO A 56 -0.334 24.590 -0.728 1.00 0.00 C ATOM 798 CD PRO A 56 -0.766 23.822 0.490 1.00 0.00 C ATOM 0 HA PRO A 56 0.295 21.410 -1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.714 23.946 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.907 23.295 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.537 25.208 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.124 25.260 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.477 24.331 1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.848 23.694 0.522 1.00 0.00 H new ATOM 806 N GLY A 57 2.672 21.286 -0.637 1.00 0.00 N ATOM 807 CA GLY A 57 4.120 21.222 -0.566 1.00 0.00 C ATOM 808 C GLY A 57 4.608 20.080 0.303 1.00 0.00 C ATOM 809 O GLY A 57 5.716 19.577 0.115 1.00 0.00 O ATOM 0 H GLY A 57 2.194 20.406 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.525 21.108 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.503 22.163 -0.172 1.00 0.00 H new ATOM 813 N SER A 58 3.780 19.670 1.259 1.00 0.00 N ATOM 814 CA SER A 58 4.136 18.584 2.164 1.00 0.00 C ATOM 815 C SER A 58 4.012 17.233 1.466 1.00 0.00 C ATOM 816 O SER A 58 3.271 17.072 0.497 1.00 0.00 O ATOM 817 CB SER A 58 3.242 18.614 3.405 1.00 0.00 C ATOM 818 OG SER A 58 2.084 17.816 3.220 1.00 0.00 O ATOM 0 H SER A 58 2.858 20.074 1.426 1.00 0.00 H new ATOM 0 HA SER A 58 5.173 18.722 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.801 18.254 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.949 19.641 3.621 1.00 0.00 H new ATOM 0 HG SER A 58 1.657 18.052 2.370 1.00 0.00 H new ATOM 824 N PRO A 59 4.756 16.238 1.971 1.00 0.00 N ATOM 825 CA PRO A 59 4.748 14.883 1.412 1.00 0.00 C ATOM 826 C PRO A 59 3.430 14.158 1.668 1.00 0.00 C ATOM 827 O PRO A 59 3.083 13.865 2.812 1.00 0.00 O ATOM 828 CB PRO A 59 5.893 14.187 2.153 1.00 0.00 C ATOM 829 CG PRO A 59 6.022 14.932 3.436 1.00 0.00 C ATOM 830 CD PRO A 59 5.664 16.358 3.125 1.00 0.00 C ATOM 0 HA PRO A 59 4.864 14.889 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.670 13.134 2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.818 14.226 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.357 14.520 4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.037 14.861 3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.177 16.844 3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.546 16.950 2.882 1.00 0.00 H new ATOM 838 N LEU A 60 2.702 13.871 0.596 1.00 0.00 N ATOM 839 CA LEU A 60 1.422 13.179 0.703 1.00 0.00 C ATOM 840 C LEU A 60 1.479 12.089 1.768 1.00 0.00 C ATOM 841 O LEU A 60 2.518 11.459 1.971 1.00 0.00 O ATOM 842 CB LEU A 60 1.033 12.570 -0.646 1.00 0.00 C ATOM 843 CG LEU A 60 0.551 13.553 -1.712 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.327 12.837 -3.035 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.723 14.251 -1.259 1.00 0.00 C ATOM 0 H LEU A 60 2.975 14.106 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 60 0.667 13.909 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.894 12.031 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.247 11.834 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 60 1.323 14.309 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.016 13.552 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.262 12.385 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.426 12.059 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.051 14.947 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.502 13.509 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.530 14.798 -0.336 1.00 0.00 H new ATOM 857 N ARG A 61 0.357 11.872 2.446 1.00 0.00 N ATOM 858 CA ARG A 61 0.280 10.857 3.490 1.00 0.00 C ATOM 859 C ARG A 61 0.343 9.455 2.892 1.00 0.00 C ATOM 860 O ARG A 61 -0.023 9.245 1.736 1.00 0.00 O ATOM 861 CB ARG A 61 -1.010 11.021 4.296 1.00 0.00 C ATOM 862 CG ARG A 61 -0.892 10.551 5.737 1.00 0.00 C ATOM 863 CD ARG A 61 -0.438 11.676 6.655 1.00 0.00 C ATOM 864 NE ARG A 61 -0.511 11.296 8.063 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.370 12.156 9.065 1.00 0.00 C ATOM 866 NH1 ARG A 61 -0.152 13.440 8.814 1.00 0.00 N ATOM 867 NH2 ARG A 61 -0.449 11.734 10.320 1.00 0.00 N ATOM 0 H ARG A 61 -0.511 12.385 2.291 1.00 0.00 H new ATOM 0 HA ARG A 61 1.135 10.989 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.302 12.071 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.808 10.464 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.855 10.169 6.076 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.183 9.725 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.586 11.955 6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.058 12.556 6.484 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.680 10.316 8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.092 13.768 7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.044 14.099 9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.618 10.748 10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.340 12.396 11.088 1.00 0.00 H new ATOM 881 N VAL A 62 0.812 8.498 3.687 1.00 0.00 N ATOM 882 CA VAL A 62 0.924 7.116 3.237 1.00 0.00 C ATOM 883 C VAL A 62 0.034 6.195 4.064 1.00 0.00 C ATOM 884 O VAL A 62 0.135 6.152 5.292 1.00 0.00 O ATOM 885 CB VAL A 62 2.378 6.615 3.317 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.546 5.335 2.513 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.339 7.690 2.833 1.00 0.00 C ATOM 0 H VAL A 62 1.121 8.655 4.646 1.00 0.00 H new ATOM 0 HA VAL A 62 0.598 7.095 2.197 1.00 0.00 H new ATOM 0 HB VAL A 62 2.612 6.394 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.580 4.996 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.885 4.566 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.294 5.525 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.362 7.319 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.109 7.945 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.236 8.578 3.457 1.00 0.00 H new ATOM 897 N THR A 63 -0.839 5.457 3.385 1.00 0.00 N ATOM 898 CA THR A 63 -1.748 4.536 4.057 1.00 0.00 C ATOM 899 C THR A 63 -1.182 3.121 4.075 1.00 0.00 C ATOM 900 O THR A 63 -1.129 2.450 3.043 1.00 0.00 O ATOM 901 CB THR A 63 -3.130 4.517 3.379 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.769 5.790 3.530 1.00 0.00 O ATOM 903 CG2 THR A 63 -4.010 3.428 3.975 1.00 0.00 C ATOM 0 H THR A 63 -0.936 5.479 2.370 1.00 0.00 H new ATOM 0 HA THR A 63 -1.860 4.892 5.081 1.00 0.00 H new ATOM 0 HB THR A 63 -2.987 4.307 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.734 5.690 3.393 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.981 3.434 3.480 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.535 2.457 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.145 3.612 5.041 1.00 0.00 H new ATOM 911 N HIS A 64 -0.761 2.672 5.253 1.00 0.00 N ATOM 912 CA HIS A 64 -0.200 1.334 5.404 1.00 0.00 C ATOM 913 C HIS A 64 -1.262 0.352 5.892 1.00 0.00 C ATOM 914 O HIS A 64 -1.764 0.471 7.010 1.00 0.00 O ATOM 915 CB HIS A 64 0.975 1.358 6.382 1.00 0.00 C ATOM 916 CG HIS A 64 2.006 2.395 6.052 1.00 0.00 C ATOM 917 ND1 HIS A 64 2.933 2.240 5.043 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.252 3.605 6.604 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.705 3.310 4.990 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.312 4.154 5.926 1.00 0.00 N ATOM 0 H HIS A 64 -0.798 3.214 6.116 1.00 0.00 H new ATOM 0 HA HIS A 64 0.156 1.004 4.428 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.597 1.540 7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.449 0.376 6.393 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.010 1.426 4.433 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.715 4.055 7.425 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.519 3.468 4.299 1.00 0.00 H new ATOM 929 N ILE A 65 -1.599 -0.616 5.047 1.00 0.00 N ATOM 930 CA ILE A 65 -2.600 -1.617 5.393 1.00 0.00 C ATOM 931 C ILE A 65 -2.029 -3.026 5.278 1.00 0.00 C ATOM 932 O ILE A 65 -1.551 -3.431 4.219 1.00 0.00 O ATOM 933 CB ILE A 65 -3.844 -1.504 4.492 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.471 -0.115 4.622 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.856 -2.583 4.848 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.289 0.294 3.418 1.00 0.00 C ATOM 0 H ILE A 65 -1.194 -0.728 4.118 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.892 -1.428 6.426 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.538 -1.648 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.107 -0.094 5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.680 0.618 4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.729 -2.490 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.405 -3.565 4.708 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.160 -2.468 5.888 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.703 1.289 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.653 0.306 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.102 -0.417 3.272 1.00 0.00 H new ATOM 948 N LYS A 66 -2.085 -3.773 6.377 1.00 0.00 N ATOM 949 CA LYS A 66 -1.578 -5.139 6.401 1.00 0.00 C ATOM 950 C LYS A 66 -2.524 -6.085 5.667 1.00 0.00 C ATOM 951 O LYS A 66 -3.716 -6.146 5.970 1.00 0.00 O ATOM 952 CB LYS A 66 -1.390 -5.610 7.845 1.00 0.00 C ATOM 953 CG LYS A 66 -0.069 -5.178 8.458 1.00 0.00 C ATOM 954 CD LYS A 66 -0.172 -5.047 9.968 1.00 0.00 C ATOM 955 CE LYS A 66 1.146 -4.595 10.579 1.00 0.00 C ATOM 956 NZ LYS A 66 1.220 -4.909 12.033 1.00 0.00 N ATOM 0 H LYS A 66 -2.477 -3.454 7.263 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.614 -5.150 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.207 -5.223 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.457 -6.698 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.704 -5.904 8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.238 -4.224 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.955 -4.332 10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.464 -6.005 10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.972 -5.081 10.060 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.265 -3.521 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.133 -4.585 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.447 -4.425 12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.132 -5.936 12.171 1.00 0.00 H new ATOM 970 N VAL A 67 -1.985 -6.820 4.699 1.00 0.00 N ATOM 971 CA VAL A 67 -2.781 -7.764 3.923 1.00 0.00 C ATOM 972 C VAL A 67 -2.575 -9.192 4.417 1.00 0.00 C ATOM 973 O VAL A 67 -1.570 -9.829 4.102 1.00 0.00 O ATOM 974 CB VAL A 67 -2.430 -7.695 2.425 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.311 -8.643 1.626 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.566 -6.269 1.912 1.00 0.00 C ATOM 0 H VAL A 67 -1.001 -6.780 4.434 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.826 -7.483 4.057 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.393 -8.006 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.049 -8.581 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.160 -9.664 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.357 -8.365 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.314 -6.238 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.592 -5.928 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.889 -5.617 2.465 1.00 0.00 H new ATOM 986 N MET A 68 -3.534 -9.688 5.191 1.00 0.00 N ATOM 987 CA MET A 68 -3.458 -11.042 5.727 1.00 0.00 C ATOM 988 C MET A 68 -3.555 -12.076 4.609 1.00 0.00 C ATOM 989 O MET A 68 -3.863 -11.738 3.465 1.00 0.00 O ATOM 990 CB MET A 68 -4.574 -11.272 6.749 1.00 0.00 C ATOM 991 CG MET A 68 -4.202 -10.847 8.160 1.00 0.00 C ATOM 992 SD MET A 68 -5.646 -10.519 9.189 1.00 0.00 S ATOM 993 CE MET A 68 -6.128 -8.901 8.590 1.00 0.00 C ATOM 0 H MET A 68 -4.372 -9.173 5.461 1.00 0.00 H new ATOM 0 HA MET A 68 -2.493 -11.157 6.221 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.462 -10.723 6.435 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.838 -12.329 6.754 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.600 -11.628 8.624 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.582 -9.952 8.114 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.069 -8.607 9.054 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.356 -8.174 8.843 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.252 -8.936 7.508 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.291 -13.332 4.947 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.349 -14.415 3.971 1.00 0.00 C ATOM 1005 C CYS A 69 -4.061 -15.632 4.550 1.00 0.00 C ATOM 1006 O CYS A 69 -3.769 -16.063 5.665 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.938 -14.800 3.523 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.875 -16.261 2.460 1.00 0.00 S ATOM 0 H CYS A 69 -3.035 -13.627 5.889 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.914 -14.063 3.108 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.494 -13.958 2.992 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.324 -14.979 4.406 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.872 -16.235 1.627 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.000 -16.181 3.785 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.756 -17.349 4.224 1.00 0.00 C ATOM 1016 C GLU A 70 -5.598 -18.503 3.239 1.00 0.00 C ATOM 1017 O GLU A 70 -6.393 -18.657 2.313 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.238 -16.996 4.379 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.559 -16.270 5.675 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.904 -15.572 5.635 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -8.977 -14.460 5.070 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -9.882 -16.136 6.168 1.00 0.00 O ATOM 0 H GLU A 70 -5.255 -15.836 2.860 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.361 -17.663 5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.544 -16.373 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.828 -17.911 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.549 -16.984 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.779 -15.536 5.879 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.561 -19.310 3.444 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.316 -20.440 2.566 1.00 0.00 C ATOM 1031 C GLY A 71 -4.126 -20.021 1.123 1.00 0.00 C ATOM 1032 O GLY A 71 -4.785 -20.543 0.225 1.00 0.00 O ATOM 0 H GLY A 71 -3.887 -19.202 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.429 -20.975 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.152 -21.136 2.632 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.223 -19.072 0.897 1.00 0.00 N ATOM 1037 CA GLY A 72 -2.965 -18.597 -0.450 1.00 0.00 C ATOM 1038 C GLY A 72 -3.713 -17.316 -0.767 1.00 0.00 C ATOM 1039 O GLY A 72 -3.184 -16.430 -1.436 1.00 0.00 O ATOM 0 H GLY A 72 -2.665 -18.623 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.895 -18.429 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.252 -19.368 -1.165 1.00 0.00 H new ATOM 1043 N ARG A 73 -4.949 -17.221 -0.287 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.772 -16.042 -0.525 1.00 0.00 C ATOM 1045 C ARG A 73 -5.320 -14.878 0.350 1.00 0.00 C ATOM 1046 O ARG A 73 -4.439 -15.030 1.198 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.244 -16.358 -0.252 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.938 -17.069 -1.402 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.165 -17.832 -0.927 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.028 -18.226 -2.036 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.967 -19.161 -1.940 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.163 -19.793 -0.792 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.713 -19.464 -2.995 1.00 0.00 N ATOM 0 H ARG A 73 -5.402 -17.946 0.269 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.657 -15.754 -1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.314 -16.977 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.773 -15.429 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.231 -16.340 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.241 -17.759 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.850 -18.720 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.730 -17.212 -0.231 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.903 -17.758 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.592 -19.562 0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.885 -20.510 -0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.566 -18.979 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.434 -20.182 -2.921 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.928 -13.715 0.140 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.585 -12.524 0.909 1.00 0.00 C ATOM 1069 C TYR A 74 -6.840 -11.750 1.302 1.00 0.00 C ATOM 1070 O TYR A 74 -7.835 -11.744 0.576 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.649 -11.623 0.101 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.366 -12.304 -0.318 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.562 -12.947 0.614 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.957 -12.302 -1.646 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.389 -13.571 0.236 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.786 -12.924 -2.034 1.00 0.00 C ATOM 1077 CZ TYR A 74 -1.005 -13.556 -1.089 1.00 0.00 C ATOM 1078 OH TYR A 74 0.163 -14.175 -1.470 1.00 0.00 O ATOM 0 H TYR A 74 -6.660 -13.572 -0.556 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.077 -12.843 1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.173 -11.274 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.406 -10.741 0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.859 -12.959 1.652 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.565 -11.806 -2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.776 -14.068 0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.484 -12.915 -3.071 1.00 0.00 H new ATOM 0 HH TYR A 74 0.827 -14.089 -0.755 1.00 0.00 H new ATOM 1088 N THR A 75 -6.786 -11.096 2.458 1.00 0.00 N ATOM 1089 CA THR A 75 -7.916 -10.319 2.950 1.00 0.00 C ATOM 1090 C THR A 75 -7.446 -9.120 3.766 1.00 0.00 C ATOM 1091 O THR A 75 -6.312 -9.088 4.243 1.00 0.00 O ATOM 1092 CB THR A 75 -8.855 -11.180 3.817 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.041 -10.442 4.134 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.161 -11.612 5.099 1.00 0.00 C ATOM 0 H THR A 75 -5.971 -11.089 3.071 1.00 0.00 H new ATOM 0 HA THR A 75 -8.462 -9.967 2.075 1.00 0.00 H new ATOM 0 HB THR A 75 -9.123 -12.072 3.250 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.447 -10.809 4.947 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.843 -12.219 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.275 -12.197 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.867 -10.730 5.669 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.325 -8.135 3.924 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.000 -6.935 4.684 1.00 0.00 C ATOM 1104 C VAL A 76 -9.029 -6.684 5.782 1.00 0.00 C ATOM 1105 O VAL A 76 -10.039 -6.017 5.560 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.926 -5.696 3.772 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.830 -5.863 2.732 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.271 -5.444 3.106 1.00 0.00 C ATOM 0 H VAL A 76 -9.268 -8.145 3.535 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.023 -7.102 5.137 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.682 -4.829 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.793 -4.978 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.870 -5.991 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.040 -6.740 2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.201 -4.565 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.547 -6.310 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.030 -5.276 3.870 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.763 -7.224 6.967 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.675 -7.047 8.083 1.00 0.00 C ATOM 1120 C GLY A 77 -11.113 -7.345 7.708 1.00 0.00 C ATOM 1121 O GLY A 77 -12.041 -6.937 8.407 1.00 0.00 O ATOM 0 H GLY A 77 -7.934 -7.780 7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.373 -7.700 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.603 -6.023 8.449 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.300 -8.059 6.602 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.639 -8.397 6.155 1.00 0.00 C ATOM 1127 C GLY A 78 -12.832 -9.890 5.982 1.00 0.00 C ATOM 1128 O GLY A 78 -11.861 -10.645 5.917 1.00 0.00 O ATOM 0 H GLY A 78 -10.549 -8.409 6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.365 -8.021 6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.840 -7.896 5.208 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.087 -10.318 5.909 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.405 -11.732 5.744 1.00 0.00 C ATOM 1134 C LEU A 79 -14.165 -12.180 4.306 1.00 0.00 C ATOM 1135 O LEU A 79 -14.009 -13.369 4.035 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.860 -11.997 6.137 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.174 -11.923 7.632 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.678 -11.920 7.861 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -15.523 -13.083 8.372 1.00 0.00 C ATOM 0 H LEU A 79 -14.901 -9.706 5.961 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.748 -12.306 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.493 -11.278 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.139 -12.987 5.776 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.765 -10.992 8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.883 -11.867 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -18.120 -11.057 7.363 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -18.110 -12.834 7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -15.757 -13.014 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -15.903 -14.025 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -14.442 -13.041 8.235 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.137 -11.219 3.388 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.915 -11.515 1.978 1.00 0.00 C ATOM 1153 C GLU A 80 -12.470 -11.937 1.732 1.00 0.00 C ATOM 1154 O GLU A 80 -11.614 -11.811 2.610 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.256 -10.296 1.118 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.712 -10.243 0.687 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.960 -10.970 -0.621 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.995 -11.147 -1.393 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -17.120 -11.360 -0.870 1.00 0.00 O ATOM 0 H GLU A 80 -14.265 -10.229 3.596 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.569 -12.341 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.018 -9.390 1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.623 -10.299 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.334 -10.683 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.019 -9.202 0.584 1.00 0.00 H new ATOM 1166 N THR A 81 -12.202 -12.439 0.530 1.00 0.00 N ATOM 1167 CA THR A 81 -10.861 -12.882 0.168 1.00 0.00 C ATOM 1168 C THR A 81 -10.572 -12.611 -1.305 1.00 0.00 C ATOM 1169 O THR A 81 -11.459 -12.206 -2.057 1.00 0.00 O ATOM 1170 CB THR A 81 -10.671 -14.384 0.449 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.363 -15.158 -0.536 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.182 -14.744 1.836 1.00 0.00 C ATOM 0 H THR A 81 -12.896 -12.549 -0.209 1.00 0.00 H new ATOM 0 HA THR A 81 -10.163 -12.314 0.783 1.00 0.00 H new ATOM 0 HB THR A 81 -9.605 -14.608 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.652 -16.007 -0.141 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.037 -15.810 2.012 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.632 -14.175 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.243 -14.506 1.906 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.327 -12.838 -1.709 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.921 -12.617 -3.093 1.00 0.00 C ATOM 1182 C PHE A 82 -7.818 -13.590 -3.496 1.00 0.00 C ATOM 1183 O PHE A 82 -6.870 -13.818 -2.744 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.442 -11.177 -3.283 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.473 -10.149 -2.916 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.590 -9.699 -1.611 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.326 -9.630 -3.877 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.539 -8.754 -1.270 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.276 -8.683 -3.544 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.382 -8.244 -2.238 1.00 0.00 C ATOM 0 H PHE A 82 -8.582 -13.175 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.787 -12.791 -3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.549 -11.017 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.152 -11.033 -4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.931 -10.092 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.247 -9.970 -4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.621 -8.415 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.934 -8.287 -4.303 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.123 -7.503 -1.975 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.948 -14.161 -4.689 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.962 -15.109 -5.195 1.00 0.00 C ATOM 1202 C ASP A 83 -5.550 -14.685 -4.806 1.00 0.00 C ATOM 1203 O ASP A 83 -4.790 -15.468 -4.235 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.071 -15.228 -6.715 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.444 -15.690 -7.164 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -9.446 -15.109 -6.699 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -8.516 -16.634 -7.979 1.00 0.00 O ATOM 0 H ASP A 83 -8.727 -13.984 -5.324 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.166 -16.081 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.850 -14.262 -7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.319 -15.929 -7.076 1.00 0.00 H new ATOM 1212 N SER A 84 -5.204 -13.440 -5.118 1.00 0.00 N ATOM 1213 CA SER A 84 -3.881 -12.912 -4.805 1.00 0.00 C ATOM 1214 C SER A 84 -3.879 -11.388 -4.851 1.00 0.00 C ATOM 1215 O SER A 84 -4.896 -10.763 -5.159 1.00 0.00 O ATOM 1216 CB SER A 84 -2.844 -13.465 -5.786 1.00 0.00 C ATOM 1217 OG SER A 84 -1.529 -13.287 -5.289 1.00 0.00 O ATOM 0 H SER A 84 -5.822 -12.778 -5.587 1.00 0.00 H new ATOM 0 HA SER A 84 -3.620 -13.227 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.031 -14.525 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.944 -12.963 -6.748 1.00 0.00 H new ATOM 0 HG SER A 84 -0.884 -13.649 -5.932 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.732 -10.794 -4.544 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.595 -9.341 -4.550 1.00 0.00 C ATOM 1225 C LEU A 85 -3.217 -8.742 -5.806 1.00 0.00 C ATOM 1226 O LEU A 85 -3.712 -7.614 -5.790 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.120 -8.947 -4.458 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.560 -8.766 -3.048 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.418 -7.794 -2.253 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.469 -10.106 -2.333 1.00 0.00 C ATOM 0 H LEU A 85 -1.882 -11.296 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.123 -8.947 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.529 -9.708 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.979 -8.015 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 85 0.445 -8.351 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.004 -7.678 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.431 -6.826 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.435 -8.180 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.068 -9.957 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.462 -10.550 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.188 -10.772 -2.891 1.00 0.00 H new ATOM 1242 N THR A 86 -3.190 -9.503 -6.896 1.00 0.00 N ATOM 1243 CA THR A 86 -3.751 -9.048 -8.161 1.00 0.00 C ATOM 1244 C THR A 86 -5.262 -8.867 -8.058 1.00 0.00 C ATOM 1245 O THR A 86 -5.781 -7.771 -8.270 1.00 0.00 O ATOM 1246 CB THR A 86 -3.440 -10.035 -9.302 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.023 -10.150 -9.475 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.079 -9.577 -10.604 1.00 0.00 C ATOM 0 H THR A 86 -2.785 -10.439 -6.927 1.00 0.00 H new ATOM 0 HA THR A 86 -3.287 -8.088 -8.386 1.00 0.00 H new ATOM 0 HB THR A 86 -3.855 -11.007 -9.036 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.832 -10.780 -10.201 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.845 -10.290 -11.395 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.160 -9.517 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.690 -8.595 -10.874 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.961 -9.949 -7.734 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.413 -9.909 -7.602 1.00 0.00 C ATOM 1258 C ASP A 87 -7.833 -8.932 -6.509 1.00 0.00 C ATOM 1259 O ASP A 87 -8.830 -8.221 -6.647 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.956 -11.305 -7.292 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.421 -11.450 -7.656 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.803 -11.020 -8.765 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.185 -11.995 -6.833 1.00 0.00 O ATOM 0 H ASP A 87 -5.546 -10.864 -7.558 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.830 -9.567 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.374 -12.048 -7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.826 -11.515 -6.230 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.068 -8.901 -5.424 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.360 -8.011 -4.307 1.00 0.00 C ATOM 1270 C LEU A 88 -7.205 -6.550 -4.718 1.00 0.00 C ATOM 1271 O LEU A 88 -8.178 -5.796 -4.749 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.438 -8.321 -3.126 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.801 -7.657 -1.798 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.362 -8.527 -0.629 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.173 -6.275 -1.702 1.00 0.00 C ATOM 0 H LEU A 88 -6.240 -9.483 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.394 -8.176 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.422 -9.401 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.425 -8.022 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.884 -7.545 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.629 -8.039 0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.860 -9.495 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.282 -8.672 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.443 -5.818 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.089 -6.363 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.537 -5.652 -2.519 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.975 -6.158 -5.036 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.693 -4.788 -5.449 1.00 0.00 C ATOM 1289 C VAL A 89 -6.644 -4.341 -6.554 1.00 0.00 C ATOM 1290 O VAL A 89 -7.356 -3.348 -6.408 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.243 -4.640 -5.945 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.982 -3.218 -6.417 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.263 -5.034 -4.850 1.00 0.00 C ATOM 0 H VAL A 89 -5.159 -6.769 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.836 -4.156 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.097 -5.311 -6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.952 -3.133 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.661 -2.975 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.145 -2.525 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.243 -4.923 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.408 -4.390 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.435 -6.072 -4.564 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.650 -5.080 -7.658 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.514 -4.758 -8.787 1.00 0.00 C ATOM 1305 C GLU A 90 -8.924 -4.415 -8.314 1.00 0.00 C ATOM 1306 O GLU A 90 -9.449 -3.344 -8.618 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.564 -5.931 -9.770 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.280 -6.119 -10.560 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.249 -5.288 -11.829 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -6.991 -4.287 -11.900 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.483 -5.640 -12.750 1.00 0.00 O ATOM 0 H GLU A 90 -6.067 -5.905 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.098 -3.887 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.779 -6.847 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.389 -5.776 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.430 -5.850 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.167 -7.172 -10.817 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.531 -5.334 -7.568 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.879 -5.130 -7.053 1.00 0.00 C ATOM 1320 C HIS A 91 -10.954 -3.856 -6.217 1.00 0.00 C ATOM 1321 O HIS A 91 -12.028 -3.282 -6.035 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.314 -6.331 -6.213 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.566 -6.091 -5.426 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.760 -5.468 -4.240 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.809 -6.514 -5.844 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.105 -5.525 -3.966 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.715 -6.162 -4.950 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.110 -6.226 -7.308 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.554 -5.027 -7.903 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.466 -7.187 -6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.509 -6.595 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.011 -7.050 -6.760 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.585 -5.116 -3.089 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.716 -6.350 -5.009 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.806 -3.419 -5.708 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.743 -2.214 -4.889 1.00 0.00 C ATOM 1338 C PHE A 92 -9.406 -0.994 -5.743 1.00 0.00 C ATOM 1339 O PHE A 92 -9.721 0.139 -5.378 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.701 -2.379 -3.782 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.268 -2.915 -2.499 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.351 -2.296 -1.894 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.721 -4.036 -1.897 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.876 -2.785 -0.712 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.242 -4.531 -0.716 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.321 -3.905 -0.124 1.00 0.00 C ATOM 0 H PHE A 92 -8.908 -3.881 -5.848 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.722 -2.060 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.916 -3.049 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.233 -1.414 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.790 -1.422 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.877 -4.530 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.718 -2.292 -0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.806 -5.406 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.731 -4.291 0.798 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.762 -1.234 -6.880 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.382 -0.158 -7.786 1.00 0.00 C ATOM 1358 C LYS A 93 -9.613 0.479 -8.421 1.00 0.00 C ATOM 1359 O LYS A 93 -9.548 1.587 -8.953 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.449 -0.688 -8.877 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.183 -1.330 -8.337 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.027 -1.193 -9.314 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.079 -2.264 -10.392 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.075 -2.020 -11.464 1.00 0.00 N ATOM 0 H LYS A 93 -8.492 -2.166 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.859 0.603 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.988 -1.419 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.176 0.133 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.915 -0.866 -7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.367 -2.385 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.056 -0.207 -9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.083 -1.264 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.900 -3.241 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.077 -2.292 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.142 -2.771 -12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.260 -1.099 -11.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.120 -2.019 -11.052 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.737 -0.227 -8.361 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.986 0.269 -8.926 1.00 0.00 C ATOM 1380 C LYS A 94 -12.931 0.744 -7.828 1.00 0.00 C ATOM 1381 O LYS A 94 -13.702 1.685 -8.020 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.662 -0.821 -9.761 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.751 -2.162 -9.051 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.345 -3.231 -9.952 1.00 0.00 C ATOM 1385 CE LYS A 94 -12.273 -3.911 -10.790 1.00 0.00 C ATOM 1386 NZ LYS A 94 -12.816 -4.412 -12.083 1.00 0.00 N ATOM 0 H LYS A 94 -10.808 -1.147 -7.926 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.752 1.117 -9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.667 -0.493 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.111 -0.948 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.757 -2.470 -8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.362 -2.060 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.860 -3.975 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.091 -2.782 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.463 -3.208 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.846 -4.742 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.055 -4.869 -12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.572 -5.102 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.201 -3.615 -12.630 1.00 0.00 H new ATOM 1400 N THR A 95 -12.867 0.087 -6.674 1.00 0.00 N ATOM 1401 CA THR A 95 -13.716 0.440 -5.544 1.00 0.00 C ATOM 1402 C THR A 95 -12.970 1.322 -4.549 1.00 0.00 C ATOM 1403 O THR A 95 -13.268 2.507 -4.410 1.00 0.00 O ATOM 1404 CB THR A 95 -14.233 -0.814 -4.814 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.142 -1.503 -4.193 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.945 -1.749 -5.780 1.00 0.00 C ATOM 0 H THR A 95 -12.235 -0.694 -6.498 1.00 0.00 H new ATOM 0 HA THR A 95 -14.565 0.991 -5.949 1.00 0.00 H new ATOM 0 HB THR A 95 -14.944 -0.496 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.797 -2.187 -4.804 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.301 -2.627 -5.241 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.792 -1.231 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.253 -2.060 -6.563 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.996 0.735 -3.860 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.221 1.483 -2.887 1.00 0.00 C ATOM 1416 C GLY A 96 -11.366 0.931 -1.483 1.00 0.00 C ATOM 1417 O GLY A 96 -12.353 0.263 -1.170 1.00 0.00 O ATOM 0 H GLY A 96 -11.730 -0.245 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.170 1.466 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.538 2.526 -2.899 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.383 1.210 -0.635 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.405 0.737 0.743 1.00 0.00 C ATOM 1423 C ILE A 97 -10.878 1.832 1.694 1.00 0.00 C ATOM 1424 O ILE A 97 -10.485 2.991 1.564 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.017 0.246 1.194 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.562 -0.932 0.329 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.044 -0.148 2.663 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.060 -1.031 0.185 1.00 0.00 C ATOM 0 H ILE A 97 -9.560 1.762 -0.878 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.105 -0.098 0.777 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.303 1.061 1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.939 -1.858 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.008 -0.839 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.055 -0.493 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.328 0.715 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.768 -0.949 2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.810 -1.888 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.678 -0.121 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.608 -1.156 1.169 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.722 1.456 2.649 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.247 2.407 3.622 1.00 0.00 C ATOM 1442 C GLU A 98 -11.528 2.269 4.960 1.00 0.00 C ATOM 1443 O GLU A 98 -11.410 1.170 5.503 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.750 2.197 3.814 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.336 3.003 4.961 1.00 0.00 C ATOM 1446 CD GLU A 98 -14.419 4.485 4.651 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -13.518 4.995 3.952 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.384 5.134 5.105 1.00 0.00 O ATOM 0 H GLU A 98 -12.057 0.500 2.770 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.074 3.413 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.266 2.465 2.892 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.941 1.138 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -15.333 2.628 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.726 2.856 5.852 1.00 0.00 H new ATOM 1455 N GLU A 99 -11.048 3.392 5.486 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.339 3.396 6.761 1.00 0.00 C ATOM 1457 C GLU A 99 -11.276 3.776 7.904 1.00 0.00 C ATOM 1458 O GLU A 99 -11.976 4.786 7.836 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.158 4.368 6.709 1.00 0.00 C ATOM 1460 CG GLU A 99 -8.233 4.141 5.526 1.00 0.00 C ATOM 1461 CD GLU A 99 -7.359 5.344 5.230 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.433 5.614 6.022 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -7.602 6.016 4.205 1.00 0.00 O ATOM 0 H GLU A 99 -11.137 4.310 5.050 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.964 2.389 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.540 5.388 6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.583 4.278 7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.600 3.277 5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.828 3.903 4.644 1.00 0.00 H new ATOM 1470 N ALA A 100 -11.283 2.958 8.951 1.00 0.00 N ATOM 1471 CA ALA A 100 -12.133 3.208 10.109 1.00 0.00 C ATOM 1472 C ALA A 100 -12.282 4.703 10.368 1.00 0.00 C ATOM 1473 O ALA A 100 -13.368 5.181 10.697 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.568 2.511 11.338 1.00 0.00 C ATOM 0 H ALA A 100 -10.710 2.117 9.021 1.00 0.00 H new ATOM 0 HA ALA A 100 -13.122 2.802 9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.212 2.706 12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.520 1.437 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.567 2.890 11.543 1.00 0.00 H new ATOM 1480 N SER A 101 -11.184 5.438 10.218 1.00 0.00 N ATOM 1481 CA SER A 101 -11.192 6.879 10.440 1.00 0.00 C ATOM 1482 C SER A 101 -12.273 7.551 9.600 1.00 0.00 C ATOM 1483 O SER A 101 -13.049 8.365 10.102 1.00 0.00 O ATOM 1484 CB SER A 101 -9.824 7.476 10.104 1.00 0.00 C ATOM 1485 OG SER A 101 -8.836 7.032 11.017 1.00 0.00 O ATOM 0 H SER A 101 -10.278 5.059 9.944 1.00 0.00 H new ATOM 0 HA SER A 101 -11.410 7.059 11.493 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.540 7.194 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.883 8.564 10.128 1.00 0.00 H new ATOM 0 HG SER A 101 -7.971 7.426 10.780 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.319 7.207 8.317 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.308 7.786 7.427 1.00 0.00 C ATOM 1493 C GLY A 102 -12.708 8.243 6.112 1.00 0.00 C ATOM 1494 O GLY A 102 -13.203 9.182 5.490 1.00 0.00 O ATOM 0 H GLY A 102 -11.688 6.537 7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.089 7.052 7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.784 8.634 7.920 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.639 7.577 5.689 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.971 7.919 4.439 1.00 0.00 C ATOM 1500 C ALA A 103 -11.044 6.766 3.444 1.00 0.00 C ATOM 1501 O ALA A 103 -11.087 5.598 3.833 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.522 8.301 4.703 1.00 0.00 C ATOM 0 H ALA A 103 -11.217 6.797 6.193 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.487 8.774 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.035 8.554 3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.489 9.161 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.003 7.462 5.166 1.00 0.00 H new ATOM 1508 N PHE A 104 -11.057 7.099 2.158 1.00 0.00 N ATOM 1509 CA PHE A 104 -11.126 6.091 1.106 1.00 0.00 C ATOM 1510 C PHE A 104 -9.888 6.148 0.216 1.00 0.00 C ATOM 1511 O PHE A 104 -9.715 7.081 -0.569 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.386 6.291 0.260 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.568 5.508 0.753 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -14.367 6.002 1.771 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.881 4.278 0.197 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -15.457 5.283 2.226 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.970 3.555 0.648 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.758 4.058 1.665 1.00 0.00 C ATOM 0 H PHE A 104 -11.021 8.060 1.819 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.167 5.110 1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.642 7.351 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.173 6.003 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.136 6.959 2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.268 3.880 -0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.073 5.680 3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.204 2.598 0.206 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.608 3.494 2.020 1.00 0.00 H new ATOM 1528 N VAL A 105 -9.027 5.143 0.346 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.805 5.077 -0.447 1.00 0.00 C ATOM 1530 C VAL A 105 -8.106 4.699 -1.892 1.00 0.00 C ATOM 1531 O VAL A 105 -8.902 3.797 -2.155 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.809 4.060 0.143 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.626 3.866 -0.795 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.340 4.508 1.518 1.00 0.00 C ATOM 0 H VAL A 105 -9.153 4.364 0.992 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.357 6.070 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.318 3.102 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.933 3.145 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.981 3.496 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.116 4.818 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.637 3.777 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.848 5.477 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.197 4.591 2.186 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.465 5.393 -2.825 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.666 5.132 -4.245 1.00 0.00 C ATOM 1546 C TYR A 106 -6.369 4.670 -4.903 1.00 0.00 C ATOM 1547 O TYR A 106 -5.287 5.167 -4.587 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.188 6.386 -4.948 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.470 6.923 -4.353 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.425 6.066 -3.820 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.727 8.289 -4.325 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.598 6.553 -3.277 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.897 8.784 -3.782 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.829 7.913 -3.259 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.996 8.402 -2.719 1.00 0.00 O ATOM 0 H TYR A 106 -6.801 6.141 -2.624 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.405 4.336 -4.340 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.424 7.162 -4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.353 6.160 -6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.247 5.001 -3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.000 8.975 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.331 5.873 -2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.081 9.848 -3.767 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.002 9.380 -2.784 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.486 3.716 -5.820 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.323 3.185 -6.524 1.00 0.00 C ATOM 1567 C LEU A 107 -5.479 3.351 -8.033 1.00 0.00 C ATOM 1568 O LEU A 107 -6.017 2.477 -8.711 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.124 1.709 -6.180 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.285 1.336 -4.706 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.735 1.001 -4.394 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.378 0.166 -4.350 1.00 0.00 C ATOM 0 H LEU A 107 -7.374 3.294 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.446 3.747 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.834 1.122 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.126 1.413 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.994 2.195 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.829 0.738 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.363 1.866 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.054 0.159 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.506 -0.086 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.639 -0.696 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.340 0.442 -4.534 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.001 4.478 -8.552 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.086 4.758 -9.980 1.00 0.00 C ATOM 1586 C ARG A 108 -3.908 4.138 -10.726 1.00 0.00 C ATOM 1587 O ARG A 108 -4.080 3.543 -11.790 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.121 6.268 -10.224 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.143 7.000 -9.369 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.540 8.329 -9.993 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.222 8.152 -11.272 1.00 0.00 N ATOM 1592 CZ ARG A 108 -8.478 7.733 -11.383 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -9.185 7.451 -10.298 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -9.029 7.598 -12.582 1.00 0.00 N ATOM 0 H ARG A 108 -4.551 5.212 -8.004 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.007 4.315 -10.358 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.132 6.682 -10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.341 6.453 -11.276 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.028 6.376 -9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.731 7.172 -8.375 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.191 8.871 -9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.650 8.941 -10.139 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.706 8.361 -12.127 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.765 7.555 -9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.149 7.130 -10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.488 7.816 -13.419 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.993 7.276 -12.667 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.714 4.282 -10.161 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.508 3.738 -10.774 1.00 0.00 C ATOM 1610 C GLN A 109 -0.535 3.239 -9.711 1.00 0.00 C ATOM 1611 O GLN A 109 -0.375 3.841 -8.649 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.832 4.796 -11.646 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.249 5.956 -10.854 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.275 7.028 -10.548 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.278 7.161 -11.249 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.028 7.801 -9.496 1.00 0.00 N ATOM 0 H GLN A 109 -2.556 4.771 -9.280 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.798 2.894 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.036 4.325 -12.223 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.558 5.183 -12.361 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.167 5.580 -9.920 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.575 6.397 -11.416 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.184 7.655 -8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.683 8.540 -9.241 1.00 0.00 H new ATOM 1625 N PRO A 110 0.131 2.111 -10.000 1.00 0.00 N ATOM 1626 CA PRO A 110 1.102 1.507 -9.081 1.00 0.00 C ATOM 1627 C PRO A 110 2.372 2.341 -8.949 1.00 0.00 C ATOM 1628 O PRO A 110 2.403 3.510 -9.337 1.00 0.00 O ATOM 1629 CB PRO A 110 1.413 0.158 -9.733 1.00 0.00 C ATOM 1630 CG PRO A 110 1.130 0.361 -11.181 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.009 1.341 -11.247 1.00 0.00 C ATOM 0 HA PRO A 110 0.709 1.426 -8.067 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.451 -0.130 -9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.793 -0.635 -9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.007 0.747 -11.700 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.864 -0.580 -11.662 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.063 1.982 -12.125 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.973 0.834 -11.300 1.00 0.00 H new ATOM 1639 N TYR A 111 3.417 1.733 -8.400 1.00 0.00 N ATOM 1640 CA TYR A 111 4.690 2.420 -8.214 1.00 0.00 C ATOM 1641 C TYR A 111 5.845 1.584 -8.757 1.00 0.00 C ATOM 1642 O TYR A 111 6.180 0.536 -8.205 1.00 0.00 O ATOM 1643 CB TYR A 111 4.917 2.725 -6.733 1.00 0.00 C ATOM 1644 CG TYR A 111 6.256 3.369 -6.446 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.507 4.686 -6.809 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.268 2.660 -5.811 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.728 5.278 -6.549 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.492 3.244 -5.547 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.716 4.553 -5.917 1.00 0.00 C ATOM 1650 OH TYR A 111 9.934 5.138 -5.657 1.00 0.00 O ATOM 0 H TYR A 111 3.408 0.766 -8.076 1.00 0.00 H new ATOM 0 HA TYR A 111 4.653 3.357 -8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.123 3.384 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.839 1.799 -6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.735 5.257 -7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.095 1.635 -5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.908 6.303 -6.839 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.269 2.678 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 111 9.819 5.853 -4.997 1.00 0.00 H new ATOM 1660 N TYR A 112 6.450 2.056 -9.840 1.00 0.00 N ATOM 1661 CA TYR A 112 7.567 1.352 -10.459 1.00 0.00 C ATOM 1662 C TYR A 112 8.901 1.904 -9.965 1.00 0.00 C ATOM 1663 O TYR A 112 9.023 3.093 -9.672 1.00 0.00 O ATOM 1664 CB TYR A 112 7.488 1.467 -11.983 1.00 0.00 C ATOM 1665 CG TYR A 112 6.095 1.257 -12.534 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.433 0.049 -12.360 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.443 2.267 -13.231 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.161 -0.148 -12.863 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.171 2.080 -13.737 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.535 0.871 -13.550 1.00 0.00 C ATOM 1671 OH TYR A 112 2.268 0.681 -14.053 1.00 0.00 O ATOM 0 H TYR A 112 6.186 2.923 -10.308 1.00 0.00 H new ATOM 0 HA TYR A 112 7.502 0.301 -10.176 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.844 2.452 -12.284 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.161 0.735 -12.430 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.921 -0.751 -11.822 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.939 3.215 -13.380 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.660 -1.094 -12.719 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.678 2.876 -14.276 1.00 0.00 H new ATOM 0 HH TYR A 112 1.971 1.496 -14.508 1.00 0.00 H new ATOM 1869 N SER B 9 -3.424 2.586 9.111 1.00 0.00 N ATOM 1870 CA SER B 9 -4.792 3.094 9.098 1.00 0.00 C ATOM 1871 C SER B 9 -5.798 1.949 9.152 1.00 0.00 C ATOM 1872 O SER B 9 -5.939 1.186 8.195 1.00 0.00 O ATOM 1873 CB SER B 9 -5.031 3.940 7.846 1.00 0.00 C ATOM 1874 OG SER B 9 -4.551 5.261 8.024 1.00 0.00 O ATOM 0 HA SER B 9 -4.931 3.717 9.982 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.533 3.481 6.992 1.00 0.00 H new ATOM 0 HB3 SER B 9 -6.097 3.965 7.618 1.00 0.00 H new ATOM 0 HG SER B 9 -5.015 5.864 7.406 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.495 1.834 10.277 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.489 0.783 10.457 1.00 0.00 C ATOM 1882 C ASP B 10 -8.454 0.740 9.277 1.00 0.00 C ATOM 1883 O ASP B 10 -8.353 1.544 8.349 1.00 0.00 O ATOM 1884 CB ASP B 10 -8.262 1.001 11.759 1.00 0.00 C ATOM 1885 CG ASP B 10 -7.635 0.276 12.933 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -7.372 -0.938 12.809 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -7.407 0.923 13.976 1.00 0.00 O ATOM 0 H ASP B 10 -6.390 2.456 11.078 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.967 -0.172 10.510 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -8.307 2.068 11.977 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -9.289 0.658 11.630 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.391 -0.201 9.319 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.375 -0.349 8.253 1.00 0.00 C ATOM 1894 C LEU B 11 -11.794 -0.282 8.809 1.00 0.00 C ATOM 1895 O LEU B 11 -11.995 -0.019 9.994 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.166 -1.675 7.518 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.267 -1.622 6.282 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.075 -0.711 6.527 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -8.803 -3.021 5.900 1.00 0.00 C ATOM 0 H LEU B 11 -9.490 -0.873 10.080 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.239 0.474 7.551 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.743 -2.394 8.220 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.141 -2.059 7.217 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.845 -1.213 5.453 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.447 -0.686 5.636 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.427 0.296 6.751 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.495 -1.089 7.369 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.164 -2.964 5.019 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.242 -3.457 6.727 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.670 -3.645 5.681 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.775 -0.522 7.944 1.00 0.00 N ATOM 1912 CA ASN B 12 -14.175 -0.490 8.349 1.00 0.00 C ATOM 1913 C ASN B 12 -14.665 -1.885 8.726 1.00 0.00 C ATOM 1914 O ASN B 12 -15.059 -2.129 9.867 1.00 0.00 O ATOM 1915 CB ASN B 12 -15.040 0.080 7.223 1.00 0.00 C ATOM 1916 CG ASN B 12 -16.436 -0.514 7.210 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -17.359 0.027 7.819 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -16.596 -1.632 6.511 1.00 0.00 N ATOM 0 H ASN B 12 -12.626 -0.741 6.959 1.00 0.00 H new ATOM 0 HA ASN B 12 -14.259 0.154 9.225 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.109 1.162 7.334 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.557 -0.112 6.265 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.513 -2.077 6.464 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -15.802 -2.045 6.022 1.00 0.00 H new