USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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 12 GLN : amide:sc= 0.848 K(o=1.7,f=0.45) USER MOD Set 1.2: A 31 MET CE :methyl -161:sc= -0.105 (180deg=-0.541) USER MOD Set 1.3: A 79 TYR OH : rot 40:sc= 0.962 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 0.992 USER MOD Set 2.2: A 34 LYS NZ :NH3+ 138:sc= -1.45! (180deg=-4.35!) USER MOD Set 3.1: A 1 HIS N :NH3+ 163:sc= 0.601 (180deg=-0.0984) USER MOD Set 3.2: A 28 CYS SG : rot -102:sc= 2.1 USER MOD Set 4.1: A 1 HIS : no HE2:sc= 0.663 K(o=0.65,f=-1.6) USER MOD Set 4.2: A 3 THR OG1 : rot -56:sc= -0.0135 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -134:sc= -2.67! USER MOD Single : A 9 TYR OH : rot 133:sc= -1.04 USER MOD Single : A 11 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.16) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=-0.057) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= 1.3 (180deg=0.0782) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 1.13 (180deg=0.679) USER MOD Single : A 68 SER OG : rot 140:sc= -0.89 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 71 MET CE :methyl -147:sc= 0 (180deg=-0.0171) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 55:sc= 0.667 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -138:sc= 1.15 USER MOD Single : A 81 THR OG1 : rot -88:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.643 7.229 -11.647 1.00 0.00 N ATOM 2 CA HIS A 1 1.059 8.555 -11.867 1.00 0.00 C ATOM 3 C HIS A 1 0.798 9.303 -10.561 1.00 0.00 C ATOM 4 O HIS A 1 0.376 10.446 -10.603 1.00 0.00 O ATOM 5 CB HIS A 1 -0.247 8.461 -12.692 1.00 0.00 C ATOM 6 CG HIS A 1 -1.408 7.760 -12.011 1.00 0.00 C ATOM 7 ND1 HIS A 1 -1.654 6.407 -12.092 1.00 0.00 N ATOM 8 CD2 HIS A 1 -2.402 8.270 -11.237 1.00 0.00 C ATOM 9 CE1 HIS A 1 -2.757 6.140 -11.392 1.00 0.00 C ATOM 10 NE2 HIS A 1 -3.253 7.243 -10.848 1.00 0.00 N ATOM 0 H1 HIS A 1 1.537 6.656 -12.508 1.00 0.00 H new ATOM 0 H2 HIS A 1 2.653 7.328 -11.419 1.00 0.00 H new ATOM 0 H3 HIS A 1 1.154 6.761 -10.857 1.00 0.00 H new ATOM 0 HA HIS A 1 1.797 9.125 -12.432 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -0.561 9.471 -12.956 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -0.029 7.940 -13.625 1.00 0.00 H new ATOM 0 HD1 HIS A 1 -1.089 5.726 -12.600 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -2.513 9.310 -10.967 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -3.189 5.156 -11.283 1.00 0.00 H new ATOM 18 N MET A 2 1.068 8.658 -9.416 1.00 0.00 N ATOM 19 CA MET A 2 0.814 9.212 -8.080 1.00 0.00 C ATOM 20 C MET A 2 -0.680 9.280 -7.826 1.00 0.00 C ATOM 21 O MET A 2 -1.407 10.058 -8.451 1.00 0.00 O ATOM 22 CB MET A 2 1.474 10.570 -7.827 1.00 0.00 C ATOM 23 CG MET A 2 2.991 10.563 -7.941 1.00 0.00 C ATOM 24 SD MET A 2 3.735 12.159 -7.562 1.00 0.00 S ATOM 25 CE MET A 2 5.474 11.728 -7.695 1.00 0.00 C ATOM 0 H MET A 2 1.475 7.723 -9.393 1.00 0.00 H new ATOM 0 HA MET A 2 1.282 8.530 -7.370 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.072 11.293 -8.536 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.198 10.914 -6.830 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.397 9.810 -7.265 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.272 10.269 -8.952 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.084 12.608 -7.489 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.711 10.946 -6.974 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.684 11.369 -8.702 1.00 0.00 H new ATOM 35 N THR A 3 -1.131 8.492 -6.926 1.00 0.00 N ATOM 36 CA THR A 3 -2.520 8.408 -6.651 1.00 0.00 C ATOM 37 C THR A 3 -2.847 8.934 -5.261 1.00 0.00 C ATOM 38 O THR A 3 -2.219 8.554 -4.271 1.00 0.00 O ATOM 39 CB THR A 3 -2.982 6.955 -6.786 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.674 6.481 -8.108 1.00 0.00 O ATOM 41 CG2 THR A 3 -4.475 6.807 -6.521 1.00 0.00 C ATOM 0 H THR A 3 -0.547 7.882 -6.354 1.00 0.00 H new ATOM 0 HA THR A 3 -3.049 9.030 -7.373 1.00 0.00 H new ATOM 0 HB THR A 3 -2.455 6.361 -6.039 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.082 7.075 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.761 5.761 -6.627 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.700 7.144 -5.509 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.033 7.410 -7.237 1.00 0.00 H new ATOM 49 N PHE A 4 -3.798 9.837 -5.204 1.00 0.00 N ATOM 50 CA PHE A 4 -4.261 10.399 -3.949 1.00 0.00 C ATOM 51 C PHE A 4 -5.763 10.299 -3.933 1.00 0.00 C ATOM 52 O PHE A 4 -6.458 10.995 -3.209 1.00 0.00 O ATOM 53 CB PHE A 4 -3.821 11.852 -3.829 1.00 0.00 C ATOM 54 CG PHE A 4 -2.341 12.019 -4.031 1.00 0.00 C ATOM 55 CD1 PHE A 4 -1.463 11.830 -2.986 1.00 0.00 C ATOM 56 CD2 PHE A 4 -1.832 12.307 -5.287 1.00 0.00 C ATOM 57 CE1 PHE A 4 -0.105 11.920 -3.189 1.00 0.00 C ATOM 58 CE2 PHE A 4 -0.481 12.409 -5.492 1.00 0.00 C ATOM 59 CZ PHE A 4 0.384 12.211 -4.444 1.00 0.00 C ATOM 0 H PHE A 4 -4.276 10.206 -6.026 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.837 9.855 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.356 12.453 -4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.096 12.233 -2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.844 11.609 -2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.509 12.453 -6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.576 11.763 -2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.098 12.644 -6.474 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.450 12.283 -4.604 1.00 0.00 H new ATOM 69 N CYS A 5 -6.242 9.402 -4.739 1.00 0.00 N ATOM 70 CA CYS A 5 -7.637 9.149 -4.893 1.00 0.00 C ATOM 71 C CYS A 5 -8.053 8.101 -3.880 1.00 0.00 C ATOM 72 O CYS A 5 -7.990 6.901 -4.147 1.00 0.00 O ATOM 73 CB CYS A 5 -7.880 8.667 -6.315 1.00 0.00 C ATOM 74 SG CYS A 5 -7.130 9.726 -7.576 1.00 0.00 S ATOM 0 H CYS A 5 -5.653 8.809 -5.324 1.00 0.00 H new ATOM 0 HA CYS A 5 -8.227 10.050 -4.721 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -7.486 7.656 -6.420 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -8.954 8.610 -6.492 1.00 0.00 H new ATOM 0 HG CYS A 5 -7.383 9.242 -8.756 1.00 0.00 H new ATOM 80 N LEU A 6 -8.400 8.557 -2.699 1.00 0.00 N ATOM 81 CA LEU A 6 -8.761 7.676 -1.636 1.00 0.00 C ATOM 82 C LEU A 6 -10.201 7.252 -1.682 1.00 0.00 C ATOM 83 O LEU A 6 -10.498 6.096 -1.627 1.00 0.00 O ATOM 84 CB LEU A 6 -8.259 8.133 -0.225 1.00 0.00 C ATOM 85 CG LEU A 6 -8.596 9.516 0.395 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.103 10.701 -0.421 1.00 0.00 C ATOM 87 CD2 LEU A 6 -10.056 9.657 0.771 1.00 0.00 C ATOM 0 H LEU A 6 -8.437 9.547 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.198 6.761 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.612 7.384 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.171 8.063 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 6 -8.025 9.541 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.379 11.628 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.019 10.650 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.558 10.675 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.228 10.645 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.674 9.534 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.318 8.894 1.504 1.00 0.00 H new ATOM 99 N GLU A 7 -11.091 8.172 -1.937 1.00 0.00 N ATOM 100 CA GLU A 7 -12.524 7.863 -1.998 1.00 0.00 C ATOM 101 C GLU A 7 -12.838 7.004 -3.256 1.00 0.00 C ATOM 102 O GLU A 7 -13.923 6.462 -3.442 1.00 0.00 O ATOM 103 CB GLU A 7 -13.328 9.169 -1.927 1.00 0.00 C ATOM 104 CG GLU A 7 -14.805 9.068 -2.251 1.00 0.00 C ATOM 105 CD GLU A 7 -15.458 10.416 -2.365 1.00 0.00 C ATOM 106 OE1 GLU A 7 -14.965 11.269 -3.151 1.00 0.00 O ATOM 107 OE2 GLU A 7 -16.501 10.642 -1.722 1.00 0.00 O ATOM 0 H GLU A 7 -10.864 9.151 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.822 7.258 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.226 9.579 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.876 9.886 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.933 8.525 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.306 8.489 -1.475 1.00 0.00 H new ATOM 114 N THR A 8 -11.835 6.814 -4.038 1.00 0.00 N ATOM 115 CA THR A 8 -11.895 6.022 -5.198 1.00 0.00 C ATOM 116 C THR A 8 -11.866 4.550 -4.786 1.00 0.00 C ATOM 117 O THR A 8 -12.338 3.708 -5.515 1.00 0.00 O ATOM 118 CB THR A 8 -10.735 6.373 -6.137 1.00 0.00 C ATOM 119 OG1 THR A 8 -10.766 7.789 -6.335 1.00 0.00 O ATOM 120 CG2 THR A 8 -10.877 5.686 -7.493 1.00 0.00 C ATOM 0 H THR A 8 -10.917 7.226 -3.874 1.00 0.00 H new ATOM 0 HA THR A 8 -12.819 6.215 -5.743 1.00 0.00 H new ATOM 0 HB THR A 8 -9.798 6.038 -5.692 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.659 7.988 -7.288 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.036 5.960 -8.130 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.890 4.605 -7.354 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.807 6.002 -7.965 1.00 0.00 H new ATOM 128 N TYR A 9 -11.385 4.252 -3.550 1.00 0.00 N ATOM 129 CA TYR A 9 -11.388 2.866 -3.064 1.00 0.00 C ATOM 130 C TYR A 9 -12.838 2.442 -2.939 1.00 0.00 C ATOM 131 O TYR A 9 -13.219 1.303 -3.192 1.00 0.00 O ATOM 132 CB TYR A 9 -10.637 2.687 -1.687 1.00 0.00 C ATOM 133 CG TYR A 9 -11.364 3.097 -0.370 1.00 0.00 C ATOM 134 CD1 TYR A 9 -12.412 2.343 0.141 1.00 0.00 C ATOM 135 CD2 TYR A 9 -10.968 4.193 0.364 1.00 0.00 C ATOM 136 CE1 TYR A 9 -13.035 2.680 1.325 1.00 0.00 C ATOM 137 CE2 TYR A 9 -11.578 4.531 1.550 1.00 0.00 C ATOM 138 CZ TYR A 9 -12.610 3.774 2.023 1.00 0.00 C ATOM 139 OH TYR A 9 -13.209 4.103 3.217 1.00 0.00 O ATOM 0 H TYR A 9 -11.003 4.936 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.844 2.241 -3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.361 1.636 -1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.709 3.257 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.748 1.472 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.156 4.804 -0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.854 2.082 1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.241 5.394 2.105 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.520 4.292 3.888 1.00 0.00 H new ATOM 149 N LEU A 10 -13.635 3.426 -2.599 1.00 0.00 N ATOM 150 CA LEU A 10 -15.042 3.305 -2.425 1.00 0.00 C ATOM 151 C LEU A 10 -15.736 3.118 -3.756 1.00 0.00 C ATOM 152 O LEU A 10 -16.690 2.348 -3.865 1.00 0.00 O ATOM 153 CB LEU A 10 -15.540 4.531 -1.682 1.00 0.00 C ATOM 154 CG LEU A 10 -15.620 4.413 -0.164 1.00 0.00 C ATOM 155 CD1 LEU A 10 -15.901 5.768 0.459 1.00 0.00 C ATOM 156 CD2 LEU A 10 -16.712 3.427 0.234 1.00 0.00 C ATOM 0 H LEU A 10 -13.293 4.372 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.275 2.419 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.886 5.368 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -16.532 4.780 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.661 4.048 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.955 5.666 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.101 6.461 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -16.849 6.152 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.757 3.353 1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.672 3.775 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.488 2.447 -0.187 1.00 0.00 H new ATOM 168 N GLN A 11 -15.216 3.774 -4.776 1.00 0.00 N ATOM 169 CA GLN A 11 -15.747 3.652 -6.121 1.00 0.00 C ATOM 170 C GLN A 11 -15.309 2.335 -6.743 1.00 0.00 C ATOM 171 O GLN A 11 -15.974 1.802 -7.615 1.00 0.00 O ATOM 172 CB GLN A 11 -15.322 4.832 -7.000 1.00 0.00 C ATOM 173 CG GLN A 11 -15.916 6.176 -6.587 1.00 0.00 C ATOM 174 CD GLN A 11 -17.438 6.168 -6.614 1.00 0.00 C ATOM 175 OE1 GLN A 11 -18.060 6.447 -7.644 1.00 0.00 O ATOM 176 NE2 GLN A 11 -18.052 5.908 -5.496 1.00 0.00 N ATOM 0 H GLN A 11 -14.417 4.404 -4.697 1.00 0.00 H new ATOM 0 HA GLN A 11 -16.835 3.665 -6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.235 4.909 -6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.610 4.623 -8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.574 6.429 -5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.547 6.954 -7.255 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.514 5.680 -4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.071 5.932 -5.456 1.00 0.00 H new ATOM 185 N GLN A 12 -14.174 1.817 -6.288 1.00 0.00 N ATOM 186 CA GLN A 12 -13.694 0.535 -6.768 1.00 0.00 C ATOM 187 C GLN A 12 -14.375 -0.584 -5.995 1.00 0.00 C ATOM 188 O GLN A 12 -14.280 -1.755 -6.368 1.00 0.00 O ATOM 189 CB GLN A 12 -12.160 0.409 -6.695 1.00 0.00 C ATOM 190 CG GLN A 12 -11.401 1.498 -7.453 1.00 0.00 C ATOM 191 CD GLN A 12 -9.900 1.266 -7.474 1.00 0.00 C ATOM 192 OE1 GLN A 12 -9.175 1.690 -6.574 1.00 0.00 O ATOM 193 NE2 GLN A 12 -9.416 0.633 -8.513 1.00 0.00 N ATOM 0 H GLN A 12 -13.576 2.264 -5.593 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.952 0.456 -7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.855 0.431 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.868 -0.564 -7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.771 1.546 -8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.608 2.465 -6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.044 0.294 -9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.411 0.479 -8.594 1.00 0.00 H new ATOM 202 N SER A 13 -15.013 -0.195 -4.882 1.00 0.00 N ATOM 203 CA SER A 13 -15.788 -1.075 -4.027 1.00 0.00 C ATOM 204 C SER A 13 -14.894 -2.027 -3.252 1.00 0.00 C ATOM 205 O SER A 13 -15.271 -3.162 -2.935 1.00 0.00 O ATOM 206 CB SER A 13 -16.865 -1.805 -4.834 1.00 0.00 C ATOM 207 OG SER A 13 -17.708 -0.867 -5.501 1.00 0.00 O ATOM 0 H SER A 13 -14.997 0.770 -4.551 1.00 0.00 H new ATOM 0 HA SER A 13 -16.302 -0.465 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.397 -2.466 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.461 -2.433 -4.172 1.00 0.00 H new ATOM 0 HG SER A 13 -18.391 -1.348 -6.014 1.00 0.00 H new ATOM 213 N GLY A 14 -13.740 -1.536 -2.905 1.00 0.00 N ATOM 214 CA GLY A 14 -12.818 -2.308 -2.168 1.00 0.00 C ATOM 215 C GLY A 14 -12.173 -1.490 -1.101 1.00 0.00 C ATOM 216 O GLY A 14 -11.175 -0.810 -1.358 1.00 0.00 O ATOM 0 H GLY A 14 -13.425 -0.592 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.328 -3.161 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.056 -2.708 -2.837 1.00 0.00 H new ATOM 220 N GLU A 15 -12.774 -1.485 0.076 1.00 0.00 N ATOM 221 CA GLU A 15 -12.227 -0.782 1.192 1.00 0.00 C ATOM 222 C GLU A 15 -10.833 -1.288 1.552 1.00 0.00 C ATOM 223 O GLU A 15 -10.598 -2.501 1.745 1.00 0.00 O ATOM 224 CB GLU A 15 -13.175 -0.699 2.414 1.00 0.00 C ATOM 225 CG GLU A 15 -13.849 -1.994 2.826 1.00 0.00 C ATOM 226 CD GLU A 15 -15.137 -2.286 2.076 1.00 0.00 C ATOM 227 OE1 GLU A 15 -15.105 -2.526 0.850 1.00 0.00 O ATOM 228 OE2 GLU A 15 -16.221 -2.290 2.717 1.00 0.00 O ATOM 0 H GLU A 15 -13.650 -1.970 0.271 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.117 0.252 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.606 -0.323 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.949 0.037 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.154 -2.819 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.063 -1.956 3.894 1.00 0.00 H new ATOM 235 N TYR A 16 -9.916 -0.357 1.569 1.00 0.00 N ATOM 236 CA TYR A 16 -8.519 -0.609 1.820 1.00 0.00 C ATOM 237 C TYR A 16 -7.935 0.593 2.548 1.00 0.00 C ATOM 238 O TYR A 16 -6.733 0.677 2.781 1.00 0.00 O ATOM 239 CB TYR A 16 -7.869 -0.773 0.432 1.00 0.00 C ATOM 240 CG TYR A 16 -6.384 -1.059 0.362 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.877 -2.296 0.714 1.00 0.00 C ATOM 242 CD2 TYR A 16 -5.500 -0.096 -0.112 1.00 0.00 C ATOM 243 CE1 TYR A 16 -4.532 -2.569 0.598 1.00 0.00 C ATOM 244 CE2 TYR A 16 -4.153 -0.357 -0.221 1.00 0.00 C ATOM 245 CZ TYR A 16 -3.675 -1.595 0.133 1.00 0.00 C ATOM 246 OH TYR A 16 -2.329 -1.879 -0.011 1.00 0.00 O ATOM 0 H TYR A 16 -10.126 0.627 1.404 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.350 -1.493 2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.387 -1.581 -0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.058 0.140 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.545 -3.059 1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.877 0.874 -0.400 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.151 -3.542 0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.478 0.405 -0.582 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.862 -1.087 -0.350 1.00 0.00 H new ATOM 256 N GLU A 17 -8.813 1.483 2.969 1.00 0.00 N ATOM 257 CA GLU A 17 -8.398 2.715 3.594 1.00 0.00 C ATOM 258 C GLU A 17 -9.396 3.141 4.627 1.00 0.00 C ATOM 259 O GLU A 17 -10.449 2.517 4.780 1.00 0.00 O ATOM 260 CB GLU A 17 -8.329 3.829 2.580 1.00 0.00 C ATOM 261 CG GLU A 17 -7.340 3.673 1.472 1.00 0.00 C ATOM 262 CD GLU A 17 -7.349 4.890 0.639 1.00 0.00 C ATOM 263 OE1 GLU A 17 -6.872 5.904 1.117 1.00 0.00 O ATOM 264 OE2 GLU A 17 -7.892 4.859 -0.483 1.00 0.00 O ATOM 0 H GLU A 17 -9.823 1.371 2.887 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.421 2.533 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.318 3.947 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.103 4.755 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.343 3.504 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.589 2.802 0.866 1.00 0.00 H new ATOM 271 N ILE A 18 -9.112 4.269 5.275 1.00 0.00 N ATOM 272 CA ILE A 18 -10.029 4.785 6.270 1.00 0.00 C ATOM 273 C ILE A 18 -10.736 6.077 5.773 1.00 0.00 C ATOM 274 O ILE A 18 -11.327 6.824 6.537 1.00 0.00 O ATOM 275 CB ILE A 18 -9.424 4.866 7.745 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.495 5.240 8.806 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.218 5.765 7.842 1.00 0.00 C ATOM 278 CD1 ILE A 18 -9.983 5.306 10.234 1.00 0.00 C ATOM 0 H ILE A 18 -8.271 4.828 5.129 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.817 4.042 6.387 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.080 3.857 7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.923 6.207 8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.303 4.510 8.758 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.855 5.777 8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.433 5.393 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.493 6.776 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.802 5.574 10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.583 4.334 10.522 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.197 6.058 10.304 1.00 0.00 H new ATOM 290 N HIS A 19 -10.702 6.280 4.431 1.00 0.00 N ATOM 291 CA HIS A 19 -11.380 7.435 3.758 1.00 0.00 C ATOM 292 C HIS A 19 -10.838 8.759 4.328 1.00 0.00 C ATOM 293 O HIS A 19 -11.546 9.769 4.471 1.00 0.00 O ATOM 294 CB HIS A 19 -12.920 7.294 3.950 1.00 0.00 C ATOM 295 CG HIS A 19 -13.781 8.241 3.157 1.00 0.00 C ATOM 296 ND1 HIS A 19 -15.084 8.549 3.486 1.00 0.00 N ATOM 297 CD2 HIS A 19 -13.508 8.944 2.031 1.00 0.00 C ATOM 298 CE1 HIS A 19 -15.551 9.402 2.585 1.00 0.00 C ATOM 299 NE2 HIS A 19 -14.628 9.684 1.670 1.00 0.00 N ATOM 0 H HIS A 19 -10.212 5.660 3.786 1.00 0.00 H new ATOM 0 HA HIS A 19 -11.171 7.437 2.688 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.205 6.274 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -13.147 7.430 5.008 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.569 8.931 1.498 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -16.549 9.814 2.593 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -14.722 10.311 0.871 1.00 0.00 H new ATOM 307 N MET A 20 -9.575 8.737 4.614 1.00 0.00 N ATOM 308 CA MET A 20 -8.882 9.865 5.153 1.00 0.00 C ATOM 309 C MET A 20 -8.139 10.617 4.053 1.00 0.00 C ATOM 310 O MET A 20 -8.733 11.426 3.338 1.00 0.00 O ATOM 311 CB MET A 20 -7.986 9.412 6.314 1.00 0.00 C ATOM 312 CG MET A 20 -8.708 9.257 7.644 1.00 0.00 C ATOM 313 SD MET A 20 -9.408 10.798 8.245 1.00 0.00 S ATOM 314 CE MET A 20 -10.098 10.259 9.810 1.00 0.00 C ATOM 0 H MET A 20 -8.984 7.917 4.477 1.00 0.00 H new ATOM 0 HA MET A 20 -9.592 10.581 5.567 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.526 8.459 6.051 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.178 10.133 6.435 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.504 8.520 7.535 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.012 8.867 8.386 1.00 0.00 H new ATOM 0 HE1 MET A 20 -10.571 11.104 10.309 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.840 9.481 9.632 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.302 9.864 10.442 1.00 0.00 H new ATOM 324 N LYS A 21 -6.888 10.334 3.904 1.00 0.00 N ATOM 325 CA LYS A 21 -6.064 10.903 2.856 1.00 0.00 C ATOM 326 C LYS A 21 -4.960 9.915 2.560 1.00 0.00 C ATOM 327 O LYS A 21 -4.272 9.469 3.467 1.00 0.00 O ATOM 328 CB LYS A 21 -5.470 12.259 3.253 1.00 0.00 C ATOM 329 CG LYS A 21 -4.627 12.879 2.148 1.00 0.00 C ATOM 330 CD LYS A 21 -3.970 14.163 2.591 1.00 0.00 C ATOM 331 CE LYS A 21 -3.092 14.729 1.488 1.00 0.00 C ATOM 332 NZ LYS A 21 -2.340 15.919 1.930 1.00 0.00 N ATOM 0 H LYS A 21 -6.386 9.688 4.514 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.680 11.084 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.278 12.942 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.857 12.135 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.861 12.169 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.255 13.074 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.733 14.892 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.370 13.981 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.393 13.963 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.712 14.991 0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.105 16.507 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.921 16.470 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.463 15.620 2.403 1.00 0.00 H new ATOM 346 N ARG A 22 -4.806 9.553 1.327 1.00 0.00 N ATOM 347 CA ARG A 22 -3.818 8.573 0.969 1.00 0.00 C ATOM 348 C ARG A 22 -2.738 9.235 0.117 1.00 0.00 C ATOM 349 O ARG A 22 -3.004 10.255 -0.534 1.00 0.00 O ATOM 350 CB ARG A 22 -4.494 7.442 0.185 1.00 0.00 C ATOM 351 CG ARG A 22 -4.706 7.731 -1.301 1.00 0.00 C ATOM 352 CD ARG A 22 -5.320 6.563 -2.045 1.00 0.00 C ATOM 353 NE ARG A 22 -4.443 5.371 -2.141 1.00 0.00 N ATOM 354 CZ ARG A 22 -4.883 4.110 -2.306 1.00 0.00 C ATOM 355 NH1 ARG A 22 -6.149 3.798 -2.084 1.00 0.00 N ATOM 356 NH2 ARG A 22 -4.026 3.151 -2.578 1.00 0.00 N ATOM 0 H ARG A 22 -5.350 9.919 0.546 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.357 8.160 1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.890 6.540 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.461 7.230 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.351 8.603 -1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.749 7.984 -1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.247 6.278 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.584 6.887 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.436 5.517 -2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.806 4.518 -1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.468 2.838 -2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.032 3.364 -2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.355 2.194 -2.704 1.00 0.00 H new ATOM 370 N ALA A 23 -1.546 8.688 0.134 1.00 0.00 N ATOM 371 CA ALA A 23 -0.461 9.204 -0.674 1.00 0.00 C ATOM 372 C ALA A 23 0.284 8.063 -1.368 1.00 0.00 C ATOM 373 O ALA A 23 1.228 7.499 -0.818 1.00 0.00 O ATOM 374 CB ALA A 23 0.488 10.052 0.169 1.00 0.00 C ATOM 0 H ALA A 23 -1.299 7.878 0.703 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.884 9.847 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.295 10.429 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.059 10.891 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.906 9.443 0.970 1.00 0.00 H new ATOM 380 N GLY A 24 -0.166 7.702 -2.553 1.00 0.00 N ATOM 381 CA GLY A 24 0.431 6.609 -3.276 1.00 0.00 C ATOM 382 C GLY A 24 1.252 7.048 -4.434 1.00 0.00 C ATOM 383 O GLY A 24 0.811 6.985 -5.583 1.00 0.00 O ATOM 0 H GLY A 24 -0.945 8.154 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.056 6.031 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.356 5.943 -3.629 1.00 0.00 H new ATOM 387 N PHE A 25 2.469 7.430 -4.156 1.00 0.00 N ATOM 388 CA PHE A 25 3.352 7.942 -5.175 1.00 0.00 C ATOM 389 C PHE A 25 3.798 6.852 -6.111 1.00 0.00 C ATOM 390 O PHE A 25 3.353 6.784 -7.239 1.00 0.00 O ATOM 391 CB PHE A 25 4.562 8.641 -4.563 1.00 0.00 C ATOM 392 CG PHE A 25 4.205 9.760 -3.650 1.00 0.00 C ATOM 393 CD1 PHE A 25 3.996 11.032 -4.141 1.00 0.00 C ATOM 394 CD2 PHE A 25 4.074 9.538 -2.297 1.00 0.00 C ATOM 395 CE1 PHE A 25 3.662 12.064 -3.294 1.00 0.00 C ATOM 396 CE2 PHE A 25 3.741 10.558 -1.449 1.00 0.00 C ATOM 397 CZ PHE A 25 3.535 11.828 -1.947 1.00 0.00 C ATOM 0 H PHE A 25 2.877 7.396 -3.222 1.00 0.00 H new ATOM 0 HA PHE A 25 2.787 8.677 -5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.154 7.909 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.193 9.024 -5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.095 11.220 -5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.236 8.546 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.500 13.057 -3.687 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.639 10.369 -0.390 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.274 12.635 -1.279 1.00 0.00 H new ATOM 407 N ARG A 26 4.619 5.964 -5.625 1.00 0.00 N ATOM 408 CA ARG A 26 5.145 4.910 -6.470 1.00 0.00 C ATOM 409 C ARG A 26 4.220 3.707 -6.492 1.00 0.00 C ATOM 410 O ARG A 26 4.100 3.022 -7.495 1.00 0.00 O ATOM 411 CB ARG A 26 6.554 4.497 -6.067 1.00 0.00 C ATOM 412 CG ARG A 26 7.614 5.588 -6.128 1.00 0.00 C ATOM 413 CD ARG A 26 9.004 4.985 -5.905 1.00 0.00 C ATOM 414 NE ARG A 26 10.097 5.978 -5.869 1.00 0.00 N ATOM 415 CZ ARG A 26 11.279 5.865 -6.522 1.00 0.00 C ATOM 416 NH1 ARG A 26 11.422 4.998 -7.516 1.00 0.00 N ATOM 417 NH2 ARG A 26 12.289 6.662 -6.212 1.00 0.00 N ATOM 0 H ARG A 26 4.941 5.942 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 26 5.202 5.318 -7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.520 4.108 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.869 3.676 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.577 6.088 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.412 6.345 -5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.001 4.431 -4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.207 4.266 -6.699 1.00 0.00 H new ATOM 0 HE ARG A 26 9.950 6.817 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.638 4.408 -7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.316 4.921 -8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.179 7.364 -5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.178 6.575 -6.705 1.00 0.00 H new ATOM 431 N GLU A 27 3.514 3.488 -5.398 1.00 0.00 N ATOM 432 CA GLU A 27 2.591 2.350 -5.304 1.00 0.00 C ATOM 433 C GLU A 27 1.316 2.553 -6.079 1.00 0.00 C ATOM 434 O GLU A 27 0.495 1.650 -6.141 1.00 0.00 O ATOM 435 CB GLU A 27 2.333 1.915 -3.875 1.00 0.00 C ATOM 436 CG GLU A 27 3.307 0.902 -3.378 1.00 0.00 C ATOM 437 CD GLU A 27 3.348 0.787 -1.866 1.00 0.00 C ATOM 438 OE1 GLU A 27 4.085 1.586 -1.236 1.00 0.00 O ATOM 439 OE2 GLU A 27 2.706 -0.094 -1.300 1.00 0.00 O ATOM 0 H GLU A 27 3.554 4.073 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 27 3.108 1.521 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.367 2.790 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.326 1.504 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.054 -0.070 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.302 1.159 -3.741 1.00 0.00 H new ATOM 446 N CYS A 28 1.155 3.735 -6.670 1.00 0.00 N ATOM 447 CA CYS A 28 0.011 4.021 -7.519 1.00 0.00 C ATOM 448 C CYS A 28 -0.129 2.937 -8.626 1.00 0.00 C ATOM 449 O CYS A 28 -1.220 2.521 -8.973 1.00 0.00 O ATOM 450 CB CYS A 28 0.209 5.383 -8.159 1.00 0.00 C ATOM 451 SG CYS A 28 1.680 5.512 -9.200 1.00 0.00 S ATOM 0 H CYS A 28 1.809 4.512 -6.573 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.897 4.017 -6.917 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.669 5.619 -8.761 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.268 6.135 -7.372 1.00 0.00 H new ATOM 0 HG CYS A 28 2.617 6.137 -8.551 1.00 0.00 H new ATOM 457 N ALA A 29 1.007 2.469 -9.141 1.00 0.00 N ATOM 458 CA ALA A 29 1.018 1.437 -10.161 1.00 0.00 C ATOM 459 C ALA A 29 0.664 0.085 -9.554 1.00 0.00 C ATOM 460 O ALA A 29 -0.100 -0.699 -10.136 1.00 0.00 O ATOM 461 CB ALA A 29 2.370 1.392 -10.844 1.00 0.00 C ATOM 0 H ALA A 29 1.933 2.794 -8.863 1.00 0.00 H new ATOM 0 HA ALA A 29 0.265 1.675 -10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.366 0.614 -11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.575 2.356 -11.310 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.143 1.174 -10.107 1.00 0.00 H new ATOM 467 N ALA A 30 1.207 -0.169 -8.373 1.00 0.00 N ATOM 468 CA ALA A 30 0.960 -1.388 -7.643 1.00 0.00 C ATOM 469 C ALA A 30 -0.512 -1.543 -7.325 1.00 0.00 C ATOM 470 O ALA A 30 -1.101 -2.578 -7.634 1.00 0.00 O ATOM 471 CB ALA A 30 1.759 -1.396 -6.352 1.00 0.00 C ATOM 0 H ALA A 30 1.837 0.476 -7.896 1.00 0.00 H new ATOM 0 HA ALA A 30 1.271 -2.223 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.564 -2.321 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.822 -1.327 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.465 -0.546 -5.737 1.00 0.00 H new ATOM 477 N MET A 31 -1.106 -0.495 -6.731 1.00 0.00 N ATOM 478 CA MET A 31 -2.528 -0.523 -6.309 1.00 0.00 C ATOM 479 C MET A 31 -3.460 -0.956 -7.426 1.00 0.00 C ATOM 480 O MET A 31 -4.369 -1.745 -7.189 1.00 0.00 O ATOM 481 CB MET A 31 -3.028 0.812 -5.698 1.00 0.00 C ATOM 482 CG MET A 31 -3.093 1.979 -6.672 1.00 0.00 C ATOM 483 SD MET A 31 -3.912 3.440 -6.008 1.00 0.00 S ATOM 484 CE MET A 31 -5.595 2.846 -5.818 1.00 0.00 C ATOM 0 H MET A 31 -0.629 0.384 -6.530 1.00 0.00 H new ATOM 0 HA MET A 31 -2.556 -1.273 -5.519 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.021 0.653 -5.278 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.372 1.084 -4.871 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.080 2.247 -6.971 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.617 1.659 -7.573 1.00 0.00 H new ATOM 0 HE1 MET A 31 -6.275 3.695 -5.746 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.865 2.237 -6.681 1.00 0.00 H new ATOM 0 HE3 MET A 31 -5.668 2.245 -4.912 1.00 0.00 H new ATOM 494 N ILE A 32 -3.164 -0.505 -8.648 1.00 0.00 N ATOM 495 CA ILE A 32 -3.987 -0.796 -9.814 1.00 0.00 C ATOM 496 C ILE A 32 -4.121 -2.298 -10.012 1.00 0.00 C ATOM 497 O ILE A 32 -5.224 -2.832 -10.134 1.00 0.00 O ATOM 498 CB ILE A 32 -3.381 -0.153 -11.099 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.319 1.373 -10.958 1.00 0.00 C ATOM 500 CG2 ILE A 32 -4.180 -0.543 -12.340 1.00 0.00 C ATOM 501 CD1 ILE A 32 -2.676 2.084 -12.138 1.00 0.00 C ATOM 0 H ILE A 32 -2.347 0.071 -8.852 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.974 -0.368 -9.639 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.367 -0.534 -11.219 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.331 1.755 -10.826 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.764 1.620 -10.053 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.734 -0.080 -13.220 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.168 -1.627 -12.455 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.209 -0.201 -12.232 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.673 3.159 -11.957 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.651 1.733 -12.260 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.243 1.870 -13.044 1.00 0.00 H new ATOM 513 N GLU A 33 -3.011 -2.982 -9.988 1.00 0.00 N ATOM 514 CA GLU A 33 -3.033 -4.404 -10.216 1.00 0.00 C ATOM 515 C GLU A 33 -3.382 -5.177 -8.950 1.00 0.00 C ATOM 516 O GLU A 33 -3.962 -6.267 -9.023 1.00 0.00 O ATOM 517 CB GLU A 33 -1.754 -4.879 -10.882 1.00 0.00 C ATOM 518 CG GLU A 33 -1.519 -4.217 -12.228 1.00 0.00 C ATOM 519 CD GLU A 33 -0.380 -4.825 -12.988 1.00 0.00 C ATOM 520 OE1 GLU A 33 -0.592 -5.829 -13.690 1.00 0.00 O ATOM 521 OE2 GLU A 33 0.736 -4.297 -12.936 1.00 0.00 O ATOM 0 H GLU A 33 -2.087 -2.585 -9.815 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.837 -4.618 -10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.908 -4.672 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.797 -5.960 -11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.427 -4.289 -12.826 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.322 -3.156 -12.075 1.00 0.00 H new ATOM 528 N LYS A 34 -3.071 -4.587 -7.795 1.00 0.00 N ATOM 529 CA LYS A 34 -3.381 -5.149 -6.481 1.00 0.00 C ATOM 530 C LYS A 34 -4.861 -5.381 -6.292 1.00 0.00 C ATOM 531 O LYS A 34 -5.245 -6.178 -5.462 1.00 0.00 O ATOM 532 CB LYS A 34 -2.890 -4.210 -5.402 1.00 0.00 C ATOM 533 CG LYS A 34 -1.440 -4.413 -4.997 1.00 0.00 C ATOM 534 CD LYS A 34 -0.852 -3.190 -4.309 1.00 0.00 C ATOM 535 CE LYS A 34 -1.766 -2.568 -3.234 1.00 0.00 C ATOM 536 NZ LYS A 34 -2.187 -3.532 -2.190 1.00 0.00 N ATOM 0 H LYS A 34 -2.588 -3.690 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.878 -6.114 -6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.017 -3.184 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.520 -4.330 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.369 -5.271 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.848 -4.648 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.096 -3.467 -3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.631 -2.434 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.244 -1.736 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.652 -2.155 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.139 -3.076 -1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.163 -3.840 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.555 -4.357 -2.204 1.00 0.00 H new ATOM 550 N LYS A 35 -5.672 -4.677 -7.072 1.00 0.00 N ATOM 551 CA LYS A 35 -7.127 -4.801 -7.021 1.00 0.00 C ATOM 552 C LYS A 35 -7.581 -6.256 -7.305 1.00 0.00 C ATOM 553 O LYS A 35 -8.682 -6.668 -6.918 1.00 0.00 O ATOM 554 CB LYS A 35 -7.778 -3.843 -8.033 1.00 0.00 C ATOM 555 CG LYS A 35 -9.297 -3.888 -8.021 1.00 0.00 C ATOM 556 CD LYS A 35 -9.904 -3.062 -9.128 1.00 0.00 C ATOM 557 CE LYS A 35 -11.407 -3.239 -9.150 1.00 0.00 C ATOM 558 NZ LYS A 35 -12.041 -2.509 -10.263 1.00 0.00 N ATOM 0 H LYS A 35 -5.340 -4.001 -7.760 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.449 -4.536 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.451 -2.825 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.423 -4.089 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.628 -4.922 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.661 -3.526 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.657 -2.010 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.482 -3.360 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.644 -4.300 -9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.825 -2.891 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.070 -2.661 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.838 -1.493 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.663 -2.858 -11.167 1.00 0.00 H new ATOM 572 N ALA A 36 -6.733 -7.020 -7.982 1.00 0.00 N ATOM 573 CA ALA A 36 -7.047 -8.395 -8.299 1.00 0.00 C ATOM 574 C ALA A 36 -6.989 -9.231 -7.017 1.00 0.00 C ATOM 575 O ALA A 36 -8.005 -9.789 -6.580 1.00 0.00 O ATOM 576 CB ALA A 36 -6.100 -8.919 -9.359 1.00 0.00 C ATOM 0 H ALA A 36 -5.824 -6.705 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.055 -8.463 -8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.348 -9.955 -9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.194 -8.315 -10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.075 -8.864 -8.991 1.00 0.00 H new ATOM 582 N ARG A 37 -5.810 -9.296 -6.416 1.00 0.00 N ATOM 583 CA ARG A 37 -5.605 -9.991 -5.139 1.00 0.00 C ATOM 584 C ARG A 37 -4.293 -9.653 -4.508 1.00 0.00 C ATOM 585 O ARG A 37 -4.267 -9.150 -3.415 1.00 0.00 O ATOM 586 CB ARG A 37 -5.842 -11.504 -5.156 1.00 0.00 C ATOM 587 CG ARG A 37 -5.075 -12.327 -6.170 1.00 0.00 C ATOM 588 CD ARG A 37 -5.495 -13.782 -6.067 1.00 0.00 C ATOM 589 NE ARG A 37 -4.731 -14.658 -6.955 1.00 0.00 N ATOM 590 CZ ARG A 37 -5.142 -15.858 -7.379 1.00 0.00 C ATOM 591 NH1 ARG A 37 -6.344 -16.322 -7.018 1.00 0.00 N ATOM 592 NH2 ARG A 37 -4.347 -16.598 -8.150 1.00 0.00 N ATOM 0 H ARG A 37 -4.964 -8.870 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.404 -9.596 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.608 -11.891 -4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.906 -11.675 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.266 -11.953 -7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.003 -12.234 -5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.371 -14.119 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.555 -13.867 -6.305 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.819 -14.330 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.949 -15.760 -6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.656 -17.237 -7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.426 -16.249 -8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.659 -17.513 -8.474 1.00 0.00 H new ATOM 606 N ARG A 38 -3.210 -9.920 -5.177 1.00 0.00 N ATOM 607 CA ARG A 38 -1.923 -9.580 -4.657 1.00 0.00 C ATOM 608 C ARG A 38 -0.931 -9.420 -5.803 1.00 0.00 C ATOM 609 O ARG A 38 -0.746 -10.341 -6.607 1.00 0.00 O ATOM 610 CB ARG A 38 -1.389 -10.591 -3.604 1.00 0.00 C ATOM 611 CG ARG A 38 -1.151 -12.016 -4.085 1.00 0.00 C ATOM 612 CD ARG A 38 -0.385 -12.797 -3.032 1.00 0.00 C ATOM 613 NE ARG A 38 -0.089 -14.181 -3.431 1.00 0.00 N ATOM 614 CZ ARG A 38 1.148 -14.660 -3.673 1.00 0.00 C ATOM 615 NH1 ARG A 38 2.177 -13.832 -3.832 1.00 0.00 N ATOM 616 NH2 ARG A 38 1.331 -15.959 -3.808 1.00 0.00 N ATOM 0 H ARG A 38 -3.195 -10.375 -6.090 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.036 -8.634 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.451 -10.205 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.096 -10.625 -2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.104 -12.504 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.591 -12.004 -5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.551 -12.281 -2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.962 -12.809 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.875 -14.824 -3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.034 -12.824 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.108 -14.205 -4.015 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.539 -16.597 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.265 -16.326 -3.991 1.00 0.00 H new ATOM 630 N VAL A 39 -0.341 -8.260 -5.919 1.00 0.00 N ATOM 631 CA VAL A 39 0.616 -8.001 -6.984 1.00 0.00 C ATOM 632 C VAL A 39 1.894 -7.437 -6.404 1.00 0.00 C ATOM 633 O VAL A 39 1.860 -6.710 -5.387 1.00 0.00 O ATOM 634 CB VAL A 39 0.019 -7.052 -8.086 1.00 0.00 C ATOM 635 CG1 VAL A 39 1.056 -6.657 -9.140 1.00 0.00 C ATOM 636 CG2 VAL A 39 -1.139 -7.743 -8.767 1.00 0.00 C ATOM 0 H VAL A 39 -0.501 -7.472 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 39 0.844 -8.947 -7.475 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.311 -6.140 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.593 -6.002 -9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.883 -6.135 -8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.431 -7.553 -9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.555 -7.087 -9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.790 -8.666 -9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.908 -7.975 -8.030 1.00 0.00 H new ATOM 646 N VAL A 40 3.004 -7.799 -7.009 1.00 0.00 N ATOM 647 CA VAL A 40 4.296 -7.342 -6.594 1.00 0.00 C ATOM 648 C VAL A 40 4.723 -6.156 -7.436 1.00 0.00 C ATOM 649 O VAL A 40 4.513 -6.138 -8.654 1.00 0.00 O ATOM 650 CB VAL A 40 5.384 -8.492 -6.604 1.00 0.00 C ATOM 651 CG1 VAL A 40 5.376 -9.244 -7.920 1.00 0.00 C ATOM 652 CG2 VAL A 40 6.798 -7.949 -6.343 1.00 0.00 C ATOM 0 H VAL A 40 3.026 -8.427 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 40 4.215 -7.021 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 40 5.118 -9.173 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.134 -10.027 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.395 -9.693 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.593 -8.554 -8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.512 -8.772 -6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.059 -7.227 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.827 -7.462 -5.368 1.00 0.00 H new ATOM 662 N HIS A 41 5.289 -5.163 -6.801 1.00 0.00 N ATOM 663 CA HIS A 41 5.715 -4.006 -7.486 1.00 0.00 C ATOM 664 C HIS A 41 7.040 -3.586 -6.899 1.00 0.00 C ATOM 665 O HIS A 41 7.188 -3.516 -5.665 1.00 0.00 O ATOM 666 CB HIS A 41 4.663 -2.896 -7.331 1.00 0.00 C ATOM 667 CG HIS A 41 4.916 -1.639 -8.123 1.00 0.00 C ATOM 668 ND1 HIS A 41 5.335 -0.445 -7.571 1.00 0.00 N ATOM 669 CD2 HIS A 41 4.773 -1.402 -9.448 1.00 0.00 C ATOM 670 CE1 HIS A 41 5.439 0.446 -8.551 1.00 0.00 C ATOM 671 NE2 HIS A 41 5.114 -0.082 -9.712 1.00 0.00 N ATOM 0 H HIS A 41 5.460 -5.149 -5.796 1.00 0.00 H new ATOM 0 HA HIS A 41 5.833 -4.203 -8.552 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.693 -3.298 -7.622 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.594 -2.631 -6.276 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.446 -2.124 -10.182 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.750 1.471 -8.413 1.00 0.00 H new ATOM 0 HE2 HIS A 41 5.113 0.383 -10.620 1.00 0.00 H new ATOM 679 N ILE A 42 8.002 -3.368 -7.744 1.00 0.00 N ATOM 680 CA ILE A 42 9.287 -2.922 -7.300 1.00 0.00 C ATOM 681 C ILE A 42 9.265 -1.400 -7.301 1.00 0.00 C ATOM 682 O ILE A 42 8.582 -0.793 -8.145 1.00 0.00 O ATOM 683 CB ILE A 42 10.456 -3.491 -8.177 1.00 0.00 C ATOM 684 CG1 ILE A 42 11.827 -3.083 -7.592 1.00 0.00 C ATOM 685 CG2 ILE A 42 10.322 -3.055 -9.638 1.00 0.00 C ATOM 686 CD1 ILE A 42 13.023 -3.637 -8.336 1.00 0.00 C ATOM 0 H ILE A 42 7.919 -3.493 -8.753 1.00 0.00 H new ATOM 0 HA ILE A 42 9.480 -3.298 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 42 10.391 -4.579 -8.157 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.894 -1.995 -7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.877 -3.414 -6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 42 11.148 -3.467 -10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.378 -3.421 -10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.344 -1.967 -9.696 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.940 -3.298 -7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.987 -4.726 -8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.004 -3.286 -9.368 1.00 0.00 H new ATOM 698 N LYS A 43 9.954 -0.800 -6.343 1.00 0.00 N ATOM 699 CA LYS A 43 9.989 0.645 -6.167 1.00 0.00 C ATOM 700 C LYS A 43 8.613 1.181 -5.728 1.00 0.00 C ATOM 701 O LYS A 43 7.948 1.860 -6.488 1.00 0.00 O ATOM 702 CB LYS A 43 10.480 1.402 -7.427 1.00 0.00 C ATOM 703 CG LYS A 43 11.886 1.046 -7.888 1.00 0.00 C ATOM 704 CD LYS A 43 12.304 1.822 -9.133 1.00 0.00 C ATOM 705 CE LYS A 43 11.464 1.454 -10.354 1.00 0.00 C ATOM 706 NZ LYS A 43 11.857 2.233 -11.548 1.00 0.00 N ATOM 0 H LYS A 43 10.512 -1.308 -5.657 1.00 0.00 H new ATOM 0 HA LYS A 43 10.718 0.834 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.786 1.204 -8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.440 2.473 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.592 1.249 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.938 -0.023 -8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.212 2.891 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.355 1.626 -9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.573 0.390 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.410 1.630 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.264 1.954 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.729 3.247 -11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.855 2.046 -11.771 1.00 0.00 H new ATOM 720 N PRO A 44 8.104 0.757 -4.552 1.00 0.00 N ATOM 721 CA PRO A 44 6.845 1.260 -4.014 1.00 0.00 C ATOM 722 C PRO A 44 7.016 2.614 -3.305 1.00 0.00 C ATOM 723 O PRO A 44 8.133 3.100 -3.132 1.00 0.00 O ATOM 724 CB PRO A 44 6.496 0.195 -2.999 1.00 0.00 C ATOM 725 CG PRO A 44 7.800 -0.248 -2.492 1.00 0.00 C ATOM 726 CD PRO A 44 8.638 -0.321 -3.702 1.00 0.00 C ATOM 0 HA PRO A 44 6.094 1.431 -4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.871 0.594 -2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.944 -0.627 -3.455 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.207 0.455 -1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.729 -1.215 -1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.692 -0.166 -3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.558 -1.293 -4.188 1.00 0.00 H new ATOM 734 N GLY A 45 5.910 3.221 -2.908 1.00 0.00 N ATOM 735 CA GLY A 45 5.985 4.474 -2.224 1.00 0.00 C ATOM 736 C GLY A 45 4.626 5.029 -1.902 1.00 0.00 C ATOM 737 O GLY A 45 4.278 6.106 -2.372 1.00 0.00 O ATOM 0 H GLY A 45 4.966 2.861 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.552 4.349 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.531 5.189 -2.839 1.00 0.00 H new ATOM 741 N GLU A 46 3.826 4.260 -1.209 1.00 0.00 N ATOM 742 CA GLU A 46 2.523 4.705 -0.775 1.00 0.00 C ATOM 743 C GLU A 46 2.375 4.633 0.733 1.00 0.00 C ATOM 744 O GLU A 46 2.830 3.677 1.389 1.00 0.00 O ATOM 745 CB GLU A 46 1.393 3.939 -1.478 1.00 0.00 C ATOM 746 CG GLU A 46 0.006 4.213 -0.937 1.00 0.00 C ATOM 747 CD GLU A 46 -1.092 3.732 -1.845 1.00 0.00 C ATOM 748 OE1 GLU A 46 -1.355 2.523 -1.914 1.00 0.00 O ATOM 749 OE2 GLU A 46 -1.731 4.580 -2.502 1.00 0.00 O ATOM 0 H GLU A 46 4.058 3.307 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 46 2.438 5.753 -1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.409 4.189 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.594 2.871 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.099 3.732 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.109 5.285 -0.776 1.00 0.00 H new ATOM 756 N LYS A 47 1.783 5.662 1.264 1.00 0.00 N ATOM 757 CA LYS A 47 1.485 5.780 2.637 1.00 0.00 C ATOM 758 C LYS A 47 0.023 6.085 2.717 1.00 0.00 C ATOM 759 O LYS A 47 -0.427 7.136 2.263 1.00 0.00 O ATOM 760 CB LYS A 47 2.326 6.880 3.275 1.00 0.00 C ATOM 761 CG LYS A 47 3.239 6.368 4.371 1.00 0.00 C ATOM 762 CD LYS A 47 2.471 5.969 5.605 1.00 0.00 C ATOM 763 CE LYS A 47 3.350 5.195 6.556 1.00 0.00 C ATOM 764 NZ LYS A 47 2.609 4.693 7.720 1.00 0.00 N ATOM 0 H LYS A 47 1.487 6.470 0.717 1.00 0.00 H new ATOM 0 HA LYS A 47 1.718 4.865 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.928 7.363 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.665 7.642 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.803 5.511 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.964 7.140 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.085 6.859 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.610 5.363 5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.802 4.356 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.165 5.834 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.258 4.588 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.855 5.365 7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.188 3.770 7.492 1.00 0.00 H new ATOM 778 N ILE A 48 -0.735 5.157 3.206 1.00 0.00 N ATOM 779 CA ILE A 48 -2.141 5.351 3.257 1.00 0.00 C ATOM 780 C ILE A 48 -2.617 5.763 4.622 1.00 0.00 C ATOM 781 O ILE A 48 -2.347 5.096 5.618 1.00 0.00 O ATOM 782 CB ILE A 48 -2.967 4.135 2.743 1.00 0.00 C ATOM 783 CG1 ILE A 48 -2.606 2.830 3.474 1.00 0.00 C ATOM 784 CG2 ILE A 48 -2.824 3.970 1.244 1.00 0.00 C ATOM 785 CD1 ILE A 48 -3.451 1.642 3.049 1.00 0.00 C ATOM 0 H ILE A 48 -0.404 4.265 3.572 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.324 6.173 2.565 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.012 4.349 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.556 2.601 3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.720 2.981 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.412 3.113 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.182 4.870 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.775 3.808 0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.141 0.757 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.501 1.850 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.318 1.464 1.982 1.00 0.00 H new ATOM 797 N LEU A 49 -3.266 6.915 4.640 1.00 0.00 N ATOM 798 CA LEU A 49 -3.927 7.549 5.806 1.00 0.00 C ATOM 799 C LEU A 49 -3.010 7.729 7.007 1.00 0.00 C ATOM 800 O LEU A 49 -3.486 7.948 8.126 1.00 0.00 O ATOM 801 CB LEU A 49 -5.186 6.764 6.276 1.00 0.00 C ATOM 802 CG LEU A 49 -6.138 6.144 5.224 1.00 0.00 C ATOM 803 CD1 LEU A 49 -6.357 7.002 4.000 1.00 0.00 C ATOM 804 CD2 LEU A 49 -5.750 4.715 4.899 1.00 0.00 C ATOM 0 H LEU A 49 -3.361 7.481 3.796 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.217 8.533 5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.844 5.956 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.778 7.438 6.895 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.122 6.109 5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.036 6.493 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.790 7.957 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.403 7.176 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.439 4.311 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.736 4.695 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.796 4.110 5.805 1.00 0.00 H new ATOM 816 N GLY A 50 -1.727 7.636 6.811 1.00 0.00 N ATOM 817 CA GLY A 50 -0.813 7.741 7.922 1.00 0.00 C ATOM 818 C GLY A 50 -0.658 6.406 8.627 1.00 0.00 C ATOM 819 O GLY A 50 0.457 5.976 8.943 1.00 0.00 O ATOM 0 H GLY A 50 -1.288 7.489 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.159 8.084 7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.176 8.489 8.627 1.00 0.00 H new ATOM 823 N ALA A 51 -1.771 5.759 8.850 1.00 0.00 N ATOM 824 CA ALA A 51 -1.846 4.479 9.470 1.00 0.00 C ATOM 825 C ALA A 51 -2.617 3.575 8.552 1.00 0.00 C ATOM 826 O ALA A 51 -3.731 3.912 8.136 1.00 0.00 O ATOM 827 CB ALA A 51 -2.546 4.576 10.813 1.00 0.00 C ATOM 0 H ALA A 51 -2.684 6.132 8.591 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.844 4.087 9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.593 3.588 11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.992 5.252 11.464 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.557 4.958 10.670 1.00 0.00 H new ATOM 833 N ARG A 52 -2.024 2.467 8.210 1.00 0.00 N ATOM 834 CA ARG A 52 -2.618 1.513 7.304 1.00 0.00 C ATOM 835 C ARG A 52 -3.853 0.848 7.930 1.00 0.00 C ATOM 836 O ARG A 52 -3.734 -0.053 8.768 1.00 0.00 O ATOM 837 CB ARG A 52 -1.560 0.479 6.915 1.00 0.00 C ATOM 838 CG ARG A 52 -2.027 -0.622 5.983 1.00 0.00 C ATOM 839 CD ARG A 52 -0.881 -1.562 5.669 1.00 0.00 C ATOM 840 NE ARG A 52 -0.329 -2.164 6.889 1.00 0.00 N ATOM 841 CZ ARG A 52 0.907 -2.654 7.022 1.00 0.00 C ATOM 842 NH1 ARG A 52 1.798 -2.516 6.037 1.00 0.00 N ATOM 843 NH2 ARG A 52 1.263 -3.218 8.167 1.00 0.00 N ATOM 0 H ARG A 52 -1.104 2.193 8.554 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.962 2.028 6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.726 0.999 6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.175 0.020 7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.845 -1.176 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.414 -0.188 5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.227 -2.349 4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.096 -1.018 5.143 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.941 -2.212 7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.537 -2.034 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.740 -2.892 6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.596 -3.275 8.937 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.204 -3.595 8.279 1.00 0.00 H new ATOM 857 N ILE A 53 -5.019 1.339 7.575 1.00 0.00 N ATOM 858 CA ILE A 53 -6.262 0.802 8.049 1.00 0.00 C ATOM 859 C ILE A 53 -7.061 0.384 6.846 1.00 0.00 C ATOM 860 O ILE A 53 -7.280 1.186 5.958 1.00 0.00 O ATOM 861 CB ILE A 53 -7.058 1.864 8.862 1.00 0.00 C ATOM 862 CG1 ILE A 53 -6.230 2.337 10.069 1.00 0.00 C ATOM 863 CG2 ILE A 53 -8.410 1.304 9.317 1.00 0.00 C ATOM 864 CD1 ILE A 53 -6.877 3.438 10.874 1.00 0.00 C ATOM 0 H ILE A 53 -5.126 2.131 6.942 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.070 -0.044 8.710 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.252 2.720 8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.045 1.485 10.724 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.259 2.684 9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.947 2.065 9.883 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.998 1.018 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.248 0.430 9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.227 3.711 11.705 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.037 4.308 10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.835 3.091 11.262 1.00 0.00 H new ATOM 876 N ILE A 54 -7.451 -0.863 6.805 1.00 0.00 N ATOM 877 CA ILE A 54 -8.199 -1.398 5.688 1.00 0.00 C ATOM 878 C ILE A 54 -9.673 -1.074 5.872 1.00 0.00 C ATOM 879 O ILE A 54 -10.397 -0.770 4.921 1.00 0.00 O ATOM 880 CB ILE A 54 -8.023 -2.946 5.617 1.00 0.00 C ATOM 881 CG1 ILE A 54 -6.531 -3.336 5.498 1.00 0.00 C ATOM 882 CG2 ILE A 54 -8.846 -3.562 4.489 1.00 0.00 C ATOM 883 CD1 ILE A 54 -5.813 -2.747 4.297 1.00 0.00 C ATOM 0 H ILE A 54 -7.261 -1.540 7.544 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.829 -0.952 4.765 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.403 -3.355 6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.014 -3.020 6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.457 -4.422 5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.694 -4.641 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.902 -3.346 4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.530 -3.139 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.774 -3.075 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.299 -3.083 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.850 -1.659 4.349 1.00 0.00 H new ATOM 895 N GLY A 55 -10.098 -1.144 7.113 1.00 0.00 N ATOM 896 CA GLY A 55 -11.483 -0.910 7.453 1.00 0.00 C ATOM 897 C GLY A 55 -12.232 -2.219 7.560 1.00 0.00 C ATOM 898 O GLY A 55 -13.386 -2.261 7.993 1.00 0.00 O ATOM 0 H GLY A 55 -9.499 -1.363 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.545 -0.371 8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.948 -0.279 6.695 1.00 0.00 H new ATOM 902 N ILE A 56 -11.559 -3.276 7.175 1.00 0.00 N ATOM 903 CA ILE A 56 -12.076 -4.627 7.185 1.00 0.00 C ATOM 904 C ILE A 56 -11.004 -5.517 7.762 1.00 0.00 C ATOM 905 O ILE A 56 -9.846 -5.364 7.384 1.00 0.00 O ATOM 906 CB ILE A 56 -12.443 -5.102 5.732 1.00 0.00 C ATOM 907 CG1 ILE A 56 -13.690 -4.371 5.219 1.00 0.00 C ATOM 908 CG2 ILE A 56 -12.624 -6.623 5.627 1.00 0.00 C ATOM 909 CD1 ILE A 56 -14.958 -4.620 6.030 1.00 0.00 C ATOM 0 H ILE A 56 -10.600 -3.219 6.833 1.00 0.00 H new ATOM 0 HA ILE A 56 -12.986 -4.672 7.783 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.595 -4.844 5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -13.487 -3.300 5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.871 -4.672 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -12.876 -6.889 4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.697 -7.120 5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.427 -6.941 6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -15.786 -4.062 5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -15.193 -5.684 6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.803 -4.292 7.058 1.00 0.00 H new ATOM 921 N PRO A 57 -11.358 -6.404 8.724 1.00 0.00 N ATOM 922 CA PRO A 57 -10.411 -7.342 9.341 1.00 0.00 C ATOM 923 C PRO A 57 -9.701 -8.218 8.299 1.00 0.00 C ATOM 924 O PRO A 57 -10.330 -9.091 7.658 1.00 0.00 O ATOM 925 CB PRO A 57 -11.301 -8.222 10.224 1.00 0.00 C ATOM 926 CG PRO A 57 -12.487 -7.384 10.520 1.00 0.00 C ATOM 927 CD PRO A 57 -12.713 -6.548 9.298 1.00 0.00 C ATOM 0 HA PRO A 57 -9.622 -6.818 9.881 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.584 -9.140 9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -10.785 -8.515 11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.358 -8.002 10.737 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.314 -6.758 11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.395 -7.033 8.600 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.148 -5.580 9.548 1.00 0.00 H new ATOM 935 N PRO A 58 -8.406 -7.992 8.078 1.00 0.00 N ATOM 936 CA PRO A 58 -7.645 -8.757 7.144 1.00 0.00 C ATOM 937 C PRO A 58 -7.067 -9.998 7.802 1.00 0.00 C ATOM 938 O PRO A 58 -6.994 -10.093 9.036 1.00 0.00 O ATOM 939 CB PRO A 58 -6.513 -7.803 6.715 1.00 0.00 C ATOM 940 CG PRO A 58 -6.592 -6.618 7.638 1.00 0.00 C ATOM 941 CD PRO A 58 -7.576 -6.968 8.719 1.00 0.00 C ATOM 0 HA PRO A 58 -8.247 -9.107 6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.542 -8.292 6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.635 -7.496 5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.614 -6.395 8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.914 -5.728 7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.079 -7.349 9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.164 -6.104 9.027 1.00 0.00 H new ATOM 949 N VAL A 59 -6.689 -10.943 6.991 1.00 0.00 N ATOM 950 CA VAL A 59 -6.072 -12.170 7.469 1.00 0.00 C ATOM 951 C VAL A 59 -4.732 -11.846 8.204 1.00 0.00 C ATOM 952 O VAL A 59 -4.036 -10.918 7.790 1.00 0.00 O ATOM 953 CB VAL A 59 -5.904 -13.199 6.295 1.00 0.00 C ATOM 954 CG1 VAL A 59 -5.206 -14.489 6.724 1.00 0.00 C ATOM 955 CG2 VAL A 59 -7.267 -13.530 5.714 1.00 0.00 C ATOM 0 H VAL A 59 -6.795 -10.895 5.978 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.724 -12.648 8.200 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.268 -12.727 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.120 -15.158 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.211 -14.256 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.788 -14.974 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.151 -14.244 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.898 -13.964 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.732 -12.620 5.335 1.00 0.00 H new ATOM 965 N PRO A 60 -4.452 -12.550 9.367 1.00 0.00 N ATOM 966 CA PRO A 60 -3.242 -12.386 10.278 1.00 0.00 C ATOM 967 C PRO A 60 -1.801 -12.311 9.652 1.00 0.00 C ATOM 968 O PRO A 60 -0.835 -12.809 10.252 1.00 0.00 O ATOM 969 CB PRO A 60 -3.339 -13.612 11.209 1.00 0.00 C ATOM 970 CG PRO A 60 -4.410 -14.469 10.639 1.00 0.00 C ATOM 971 CD PRO A 60 -5.358 -13.541 9.970 1.00 0.00 C ATOM 0 HA PRO A 60 -3.310 -11.397 10.732 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.390 -14.147 11.251 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.580 -13.311 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.000 -15.187 9.929 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.909 -15.042 11.420 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.963 -14.049 9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.048 -13.083 10.679 1.00 0.00 H new ATOM 979 N ILE A 61 -1.684 -11.714 8.490 1.00 0.00 N ATOM 980 CA ILE A 61 -0.482 -11.430 7.771 1.00 0.00 C ATOM 981 C ILE A 61 0.192 -12.659 7.277 1.00 0.00 C ATOM 982 O ILE A 61 -0.380 -13.735 7.291 1.00 0.00 O ATOM 983 CB ILE A 61 0.531 -10.430 8.469 1.00 0.00 C ATOM 984 CG1 ILE A 61 1.508 -11.103 9.470 1.00 0.00 C ATOM 985 CG2 ILE A 61 -0.220 -9.273 9.159 1.00 0.00 C ATOM 986 CD1 ILE A 61 2.559 -10.172 10.041 1.00 0.00 C ATOM 0 H ILE A 61 -2.508 -11.388 7.985 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.838 -10.871 6.906 1.00 0.00 H new ATOM 0 HB ILE A 61 1.148 -10.040 7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.931 -11.528 10.292 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.008 -11.932 8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.499 -8.602 9.630 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.799 -8.722 8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.891 -9.676 9.918 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.198 -10.724 10.730 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.164 -9.766 9.231 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.071 -9.356 10.574 1.00 0.00 H new ATOM 998 N GLY A 62 1.361 -12.502 6.763 1.00 0.00 N ATOM 999 CA GLY A 62 2.021 -13.606 6.241 1.00 0.00 C ATOM 1000 C GLY A 62 3.487 -13.530 6.495 1.00 0.00 C ATOM 1001 O GLY A 62 3.918 -13.551 7.630 1.00 0.00 O ATOM 0 H GLY A 62 1.864 -11.617 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.619 -14.516 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.838 -13.668 5.168 1.00 0.00 H new ATOM 1005 N ILE A 63 4.232 -13.384 5.450 1.00 0.00 N ATOM 1006 CA ILE A 63 5.667 -13.300 5.517 1.00 0.00 C ATOM 1007 C ILE A 63 6.089 -11.881 5.194 1.00 0.00 C ATOM 1008 O ILE A 63 5.743 -11.360 4.144 1.00 0.00 O ATOM 1009 CB ILE A 63 6.305 -14.290 4.492 1.00 0.00 C ATOM 1010 CG1 ILE A 63 5.925 -15.740 4.837 1.00 0.00 C ATOM 1011 CG2 ILE A 63 7.819 -14.131 4.391 1.00 0.00 C ATOM 1012 CD1 ILE A 63 6.346 -16.176 6.230 1.00 0.00 C ATOM 0 H ILE A 63 3.860 -13.318 4.503 1.00 0.00 H new ATOM 0 HA ILE A 63 6.006 -13.567 6.518 1.00 0.00 H new ATOM 0 HB ILE A 63 5.899 -14.044 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.845 -15.854 4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.380 -16.408 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.212 -14.843 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.058 -13.117 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.270 -14.320 5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.042 -17.210 6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.429 -16.097 6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.870 -15.535 6.971 1.00 0.00 H new ATOM 1024 N ASP A 64 6.798 -11.255 6.081 1.00 0.00 N ATOM 1025 CA ASP A 64 7.272 -9.909 5.845 1.00 0.00 C ATOM 1026 C ASP A 64 8.743 -9.863 6.149 1.00 0.00 C ATOM 1027 O ASP A 64 9.186 -10.292 7.215 1.00 0.00 O ATOM 1028 CB ASP A 64 6.490 -8.837 6.659 1.00 0.00 C ATOM 1029 CG ASP A 64 6.833 -8.779 8.141 1.00 0.00 C ATOM 1030 OD1 ASP A 64 6.410 -9.658 8.905 1.00 0.00 O ATOM 1031 OD2 ASP A 64 7.536 -7.828 8.562 1.00 0.00 O ATOM 0 H ASP A 64 7.067 -11.649 6.982 1.00 0.00 H new ATOM 0 HA ASP A 64 7.097 -9.660 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.680 -7.858 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.422 -9.031 6.556 1.00 0.00 H new ATOM 1036 N GLU A 65 9.515 -9.416 5.203 1.00 0.00 N ATOM 1037 CA GLU A 65 10.939 -9.380 5.397 1.00 0.00 C ATOM 1038 C GLU A 65 11.396 -7.976 5.756 1.00 0.00 C ATOM 1039 O GLU A 65 11.885 -7.727 6.867 1.00 0.00 O ATOM 1040 CB GLU A 65 11.649 -9.912 4.155 1.00 0.00 C ATOM 1041 CG GLU A 65 11.272 -11.355 3.807 1.00 0.00 C ATOM 1042 CD GLU A 65 11.626 -12.344 4.904 1.00 0.00 C ATOM 1043 OE1 GLU A 65 12.804 -12.758 4.983 1.00 0.00 O ATOM 1044 OE2 GLU A 65 10.738 -12.744 5.694 1.00 0.00 O ATOM 0 H GLU A 65 9.190 -9.074 4.298 1.00 0.00 H new ATOM 0 HA GLU A 65 11.203 -10.027 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.413 -9.269 3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.726 -9.853 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.201 -11.407 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.779 -11.645 2.887 1.00 0.00 H new ATOM 1051 N GLU A 66 11.211 -7.067 4.845 1.00 0.00 N ATOM 1052 CA GLU A 66 11.570 -5.683 5.029 1.00 0.00 C ATOM 1053 C GLU A 66 10.882 -4.891 3.933 1.00 0.00 C ATOM 1054 O GLU A 66 10.344 -5.483 3.014 1.00 0.00 O ATOM 1055 CB GLU A 66 13.121 -5.511 4.998 1.00 0.00 C ATOM 1056 CG GLU A 66 13.637 -4.091 5.245 1.00 0.00 C ATOM 1057 CD GLU A 66 13.106 -3.472 6.513 1.00 0.00 C ATOM 1058 OE1 GLU A 66 11.950 -2.982 6.511 1.00 0.00 O ATOM 1059 OE2 GLU A 66 13.832 -3.437 7.515 1.00 0.00 O ATOM 0 H GLU A 66 10.799 -7.266 3.934 1.00 0.00 H new ATOM 0 HA GLU A 66 11.244 -5.316 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.556 -6.171 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.486 -5.847 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.726 -4.111 5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.362 -3.461 4.399 1.00 0.00 H new ATOM 1066 N ARG A 67 10.886 -3.583 4.047 1.00 0.00 N ATOM 1067 CA ARG A 67 10.252 -2.688 3.092 1.00 0.00 C ATOM 1068 C ARG A 67 11.077 -2.705 1.812 1.00 0.00 C ATOM 1069 O ARG A 67 10.566 -2.575 0.701 1.00 0.00 O ATOM 1070 CB ARG A 67 10.252 -1.276 3.691 1.00 0.00 C ATOM 1071 CG ARG A 67 9.075 -0.361 3.320 1.00 0.00 C ATOM 1072 CD ARG A 67 8.935 -0.082 1.841 1.00 0.00 C ATOM 1073 NE ARG A 67 7.874 0.927 1.588 1.00 0.00 N ATOM 1074 CZ ARG A 67 6.721 0.712 0.926 1.00 0.00 C ATOM 1075 NH1 ARG A 67 6.315 -0.514 0.667 1.00 0.00 N ATOM 1076 NH2 ARG A 67 5.933 1.732 0.624 1.00 0.00 N ATOM 0 H ARG A 67 11.338 -3.096 4.821 1.00 0.00 H new ATOM 0 HA ARG A 67 9.229 -2.996 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.280 -1.369 4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.175 -0.780 3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.152 -0.815 3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.189 0.587 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.885 0.276 1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.697 -1.006 1.314 1.00 0.00 H new ATOM 0 HE ARG A 67 8.033 1.868 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.875 -1.311 0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.440 -0.666 0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.199 2.679 0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.059 1.571 0.123 1.00 0.00 H new ATOM 1090 N SER A 68 12.353 -2.894 1.989 1.00 0.00 N ATOM 1091 CA SER A 68 13.299 -2.943 0.918 1.00 0.00 C ATOM 1092 C SER A 68 13.533 -4.369 0.453 1.00 0.00 C ATOM 1093 O SER A 68 14.613 -4.734 -0.033 1.00 0.00 O ATOM 1094 CB SER A 68 14.574 -2.295 1.380 1.00 0.00 C ATOM 1095 OG SER A 68 14.926 -2.747 2.677 1.00 0.00 O ATOM 0 H SER A 68 12.773 -3.022 2.910 1.00 0.00 H new ATOM 0 HA SER A 68 12.908 -2.399 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.378 -2.523 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.455 -1.212 1.387 1.00 0.00 H new ATOM 0 HG SER A 68 15.895 -2.885 2.723 1.00 0.00 H new ATOM 1101 N THR A 69 12.528 -5.151 0.574 1.00 0.00 N ATOM 1102 CA THR A 69 12.555 -6.539 0.226 1.00 0.00 C ATOM 1103 C THR A 69 11.103 -6.951 -0.041 1.00 0.00 C ATOM 1104 O THR A 69 10.187 -6.228 0.337 1.00 0.00 O ATOM 1105 CB THR A 69 13.139 -7.368 1.413 1.00 0.00 C ATOM 1106 OG1 THR A 69 14.414 -6.821 1.812 1.00 0.00 O ATOM 1107 CG2 THR A 69 13.341 -8.828 1.040 1.00 0.00 C ATOM 0 H THR A 69 11.624 -4.840 0.931 1.00 0.00 H new ATOM 0 HA THR A 69 13.180 -6.718 -0.649 1.00 0.00 H new ATOM 0 HB THR A 69 12.420 -7.312 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.775 -7.344 2.558 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.749 -9.369 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.384 -9.267 0.756 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.035 -8.897 0.202 1.00 0.00 H new ATOM 1115 N VAL A 70 10.902 -8.041 -0.730 1.00 0.00 N ATOM 1116 CA VAL A 70 9.571 -8.538 -0.985 1.00 0.00 C ATOM 1117 C VAL A 70 8.966 -9.088 0.287 1.00 0.00 C ATOM 1118 O VAL A 70 9.668 -9.630 1.151 1.00 0.00 O ATOM 1119 CB VAL A 70 9.525 -9.646 -2.085 1.00 0.00 C ATOM 1120 CG1 VAL A 70 9.761 -9.070 -3.461 1.00 0.00 C ATOM 1121 CG2 VAL A 70 10.520 -10.773 -1.796 1.00 0.00 C ATOM 0 H VAL A 70 11.649 -8.609 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 70 8.996 -7.687 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 70 8.522 -10.072 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.722 -9.869 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.991 -8.331 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.741 -8.593 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.458 -11.524 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.531 -10.366 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.281 -11.232 -0.837 1.00 0.00 H new ATOM 1131 N MET A 71 7.703 -8.912 0.420 1.00 0.00 N ATOM 1132 CA MET A 71 6.974 -9.419 1.526 1.00 0.00 C ATOM 1133 C MET A 71 5.733 -10.040 0.965 1.00 0.00 C ATOM 1134 O MET A 71 5.149 -9.498 0.035 1.00 0.00 O ATOM 1135 CB MET A 71 6.616 -8.307 2.547 1.00 0.00 C ATOM 1136 CG MET A 71 5.717 -7.198 2.011 1.00 0.00 C ATOM 1137 SD MET A 71 5.247 -6.000 3.279 1.00 0.00 S ATOM 1138 CE MET A 71 4.117 -4.967 2.342 1.00 0.00 C ATOM 0 H MET A 71 7.133 -8.399 -0.252 1.00 0.00 H new ATOM 0 HA MET A 71 7.575 -10.145 2.073 1.00 0.00 H new ATOM 0 HB2 MET A 71 6.126 -8.768 3.405 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.541 -7.859 2.911 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.231 -6.680 1.201 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.817 -7.641 1.585 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.185 -3.938 2.696 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.381 -5.005 1.285 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.098 -5.329 2.475 1.00 0.00 H new ATOM 1148 N ILE A 72 5.343 -11.160 1.478 1.00 0.00 N ATOM 1149 CA ILE A 72 4.161 -11.819 1.016 1.00 0.00 C ATOM 1150 C ILE A 72 3.241 -11.917 2.204 1.00 0.00 C ATOM 1151 O ILE A 72 3.223 -12.928 2.919 1.00 0.00 O ATOM 1152 CB ILE A 72 4.442 -13.243 0.441 1.00 0.00 C ATOM 1153 CG1 ILE A 72 5.530 -13.179 -0.645 1.00 0.00 C ATOM 1154 CG2 ILE A 72 3.154 -13.846 -0.140 1.00 0.00 C ATOM 1155 CD1 ILE A 72 5.946 -14.532 -1.183 1.00 0.00 C ATOM 0 H ILE A 72 5.833 -11.646 2.229 1.00 0.00 H new ATOM 0 HA ILE A 72 3.725 -11.249 0.196 1.00 0.00 H new ATOM 0 HB ILE A 72 4.795 -13.879 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.168 -12.567 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.407 -12.677 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.364 -14.839 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.401 -13.921 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.781 -13.206 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.716 -14.400 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.340 -15.141 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.082 -15.030 -1.624 1.00 0.00 H new ATOM 1167 N PRO A 73 2.540 -10.838 2.520 1.00 0.00 N ATOM 1168 CA PRO A 73 1.687 -10.813 3.647 1.00 0.00 C ATOM 1169 C PRO A 73 0.379 -11.444 3.310 1.00 0.00 C ATOM 1170 O PRO A 73 -0.226 -11.139 2.292 1.00 0.00 O ATOM 1171 CB PRO A 73 1.502 -9.312 3.958 1.00 0.00 C ATOM 1172 CG PRO A 73 2.217 -8.572 2.865 1.00 0.00 C ATOM 1173 CD PRO A 73 2.483 -9.570 1.780 1.00 0.00 C ATOM 0 HA PRO A 73 2.094 -11.362 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.445 -9.046 3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.917 -9.062 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.609 -7.747 2.493 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.148 -8.141 3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.693 -9.574 1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.417 -9.363 1.258 1.00 0.00 H new ATOM 1181 N TYR A 74 -0.076 -12.312 4.136 1.00 0.00 N ATOM 1182 CA TYR A 74 -1.325 -12.905 3.907 1.00 0.00 C ATOM 1183 C TYR A 74 -2.363 -12.109 4.601 1.00 0.00 C ATOM 1184 O TYR A 74 -3.003 -12.550 5.525 1.00 0.00 O ATOM 1185 CB TYR A 74 -1.372 -14.405 4.232 1.00 0.00 C ATOM 1186 CG TYR A 74 -0.608 -15.240 3.231 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -1.210 -15.625 2.044 1.00 0.00 C ATOM 1188 CD2 TYR A 74 0.709 -15.625 3.455 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -0.529 -16.365 1.106 1.00 0.00 C ATOM 1190 CE2 TYR A 74 1.399 -16.372 2.520 1.00 0.00 C ATOM 1191 CZ TYR A 74 0.773 -16.737 1.345 1.00 0.00 C ATOM 1192 OH TYR A 74 1.459 -17.471 0.396 1.00 0.00 O ATOM 0 H TYR A 74 0.406 -12.624 4.979 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.528 -12.884 2.836 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -0.960 -14.570 5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.410 -14.735 4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.233 -15.339 1.852 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.199 -15.336 4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.015 -16.653 0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.421 -16.668 2.707 1.00 0.00 H new ATOM 0 HH TYR A 74 2.367 -17.652 0.716 1.00 0.00 H new ATOM 1202 N THR A 75 -2.402 -10.867 4.231 1.00 0.00 N ATOM 1203 CA THR A 75 -3.347 -9.997 4.724 1.00 0.00 C ATOM 1204 C THR A 75 -4.350 -9.830 3.619 1.00 0.00 C ATOM 1205 O THR A 75 -4.058 -9.176 2.605 1.00 0.00 O ATOM 1206 CB THR A 75 -2.780 -8.622 5.069 1.00 0.00 C ATOM 1207 OG1 THR A 75 -2.064 -8.077 3.951 1.00 0.00 O ATOM 1208 CG2 THR A 75 -1.878 -8.659 6.255 1.00 0.00 C ATOM 0 H THR A 75 -1.753 -10.450 3.564 1.00 0.00 H new ATOM 0 HA THR A 75 -3.762 -10.401 5.648 1.00 0.00 H new ATOM 0 HB THR A 75 -3.632 -7.987 5.312 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.648 -8.064 3.164 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.502 -7.656 6.458 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.431 -9.021 7.122 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.040 -9.327 6.054 1.00 0.00 H new ATOM 1216 N LYS A 76 -5.451 -10.466 3.732 1.00 0.00 N ATOM 1217 CA LYS A 76 -6.437 -10.386 2.691 1.00 0.00 C ATOM 1218 C LYS A 76 -7.441 -9.314 3.038 1.00 0.00 C ATOM 1219 O LYS A 76 -8.213 -9.474 3.985 1.00 0.00 O ATOM 1220 CB LYS A 76 -7.109 -11.741 2.474 1.00 0.00 C ATOM 1221 CG LYS A 76 -6.121 -12.852 2.106 1.00 0.00 C ATOM 1222 CD LYS A 76 -6.806 -14.199 1.922 1.00 0.00 C ATOM 1223 CE LYS A 76 -7.725 -14.218 0.709 1.00 0.00 C ATOM 1224 NZ LYS A 76 -8.440 -15.498 0.598 1.00 0.00 N ATOM 0 H LYS A 76 -5.706 -11.051 4.528 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.953 -10.118 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.643 -12.024 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.853 -11.648 1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.602 -12.583 1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.365 -12.935 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.050 -14.977 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.383 -14.436 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.445 -13.403 0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.141 -14.046 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.058 -15.479 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.753 -16.273 0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.016 -15.649 1.451 1.00 0.00 H new ATOM 1238 N PRO A 77 -7.390 -8.168 2.346 1.00 0.00 N ATOM 1239 CA PRO A 77 -8.292 -7.082 2.581 1.00 0.00 C ATOM 1240 C PRO A 77 -9.472 -7.148 1.612 1.00 0.00 C ATOM 1241 O PRO A 77 -9.674 -8.158 0.939 1.00 0.00 O ATOM 1242 CB PRO A 77 -7.422 -5.850 2.283 1.00 0.00 C ATOM 1243 CG PRO A 77 -6.272 -6.342 1.446 1.00 0.00 C ATOM 1244 CD PRO A 77 -6.448 -7.828 1.273 1.00 0.00 C ATOM 0 HA PRO A 77 -8.720 -7.081 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.993 -5.089 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.065 -5.393 3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.259 -5.841 0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.321 -6.121 1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.847 -8.077 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.504 -8.363 1.378 1.00 0.00 H new ATOM 1252 N CYS A 78 -10.220 -6.079 1.507 1.00 0.00 N ATOM 1253 CA CYS A 78 -11.355 -6.052 0.607 1.00 0.00 C ATOM 1254 C CYS A 78 -10.926 -5.412 -0.728 1.00 0.00 C ATOM 1255 O CYS A 78 -11.741 -5.053 -1.553 1.00 0.00 O ATOM 1256 CB CYS A 78 -12.510 -5.265 1.264 1.00 0.00 C ATOM 1257 SG CYS A 78 -14.103 -5.330 0.398 1.00 0.00 S ATOM 0 H CYS A 78 -10.068 -5.216 2.030 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.706 -7.064 0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -12.653 -5.643 2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -12.209 -4.221 1.353 1.00 0.00 H new ATOM 0 HG CYS A 78 -14.646 -4.149 0.400 1.00 0.00 H new ATOM 1263 N TYR A 79 -9.623 -5.316 -0.940 1.00 0.00 N ATOM 1264 CA TYR A 79 -9.107 -4.693 -2.153 1.00 0.00 C ATOM 1265 C TYR A 79 -7.973 -5.513 -2.755 1.00 0.00 C ATOM 1266 O TYR A 79 -8.087 -5.997 -3.865 1.00 0.00 O ATOM 1267 CB TYR A 79 -8.650 -3.268 -1.858 1.00 0.00 C ATOM 1268 CG TYR A 79 -8.220 -2.466 -3.070 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.166 -1.934 -3.931 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -6.874 -2.228 -3.343 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -8.794 -1.191 -5.026 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -6.494 -1.477 -4.440 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.464 -0.960 -5.279 1.00 0.00 C ATOM 1274 OH TYR A 79 -7.103 -0.201 -6.365 1.00 0.00 O ATOM 0 H TYR A 79 -8.908 -5.657 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.911 -4.656 -2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.463 -2.738 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.818 -3.308 -1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.215 -2.106 -3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.118 -2.636 -2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.547 -0.789 -5.687 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.448 -1.296 -4.640 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.724 0.551 -6.460 1.00 0.00 H new ATOM 1284 N GLY A 80 -6.881 -5.654 -2.024 1.00 0.00 N ATOM 1285 CA GLY A 80 -5.776 -6.437 -2.517 1.00 0.00 C ATOM 1286 C GLY A 80 -4.518 -6.215 -1.715 1.00 0.00 C ATOM 1287 O GLY A 80 -4.269 -5.101 -1.231 1.00 0.00 O ATOM 0 H GLY A 80 -6.742 -5.241 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.041 -7.494 -2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.589 -6.183 -3.560 1.00 0.00 H new ATOM 1291 N THR A 81 -3.719 -7.229 -1.619 1.00 0.00 N ATOM 1292 CA THR A 81 -2.511 -7.246 -0.863 1.00 0.00 C ATOM 1293 C THR A 81 -1.387 -6.657 -1.721 1.00 0.00 C ATOM 1294 O THR A 81 -1.502 -6.603 -2.939 1.00 0.00 O ATOM 1295 CB THR A 81 -2.193 -8.704 -0.508 1.00 0.00 C ATOM 1296 OG1 THR A 81 -3.409 -9.347 -0.075 1.00 0.00 O ATOM 1297 CG2 THR A 81 -1.172 -8.773 0.605 1.00 0.00 C ATOM 0 H THR A 81 -3.903 -8.114 -2.092 1.00 0.00 H new ATOM 0 HA THR A 81 -2.610 -6.658 0.049 1.00 0.00 H new ATOM 0 HB THR A 81 -1.784 -9.204 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.523 -9.215 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.961 -9.816 0.841 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.253 -8.280 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.565 -8.273 1.490 1.00 0.00 H new ATOM 1305 N ALA A 82 -0.332 -6.185 -1.104 1.00 0.00 N ATOM 1306 CA ALA A 82 0.745 -5.567 -1.835 1.00 0.00 C ATOM 1307 C ALA A 82 2.058 -6.272 -1.569 1.00 0.00 C ATOM 1308 O ALA A 82 2.480 -6.368 -0.419 1.00 0.00 O ATOM 1309 CB ALA A 82 0.918 -4.117 -1.389 1.00 0.00 C ATOM 0 H ALA A 82 -0.196 -6.218 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 82 0.492 -5.627 -2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.734 -3.659 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.004 -3.566 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.147 -4.089 -0.324 1.00 0.00 H new ATOM 1315 N VAL A 83 2.674 -6.778 -2.588 1.00 0.00 N ATOM 1316 CA VAL A 83 3.977 -7.372 -2.445 1.00 0.00 C ATOM 1317 C VAL A 83 4.919 -6.326 -3.002 1.00 0.00 C ATOM 1318 O VAL A 83 5.222 -6.282 -4.161 1.00 0.00 O ATOM 1319 CB VAL A 83 4.110 -8.733 -3.191 1.00 0.00 C ATOM 1320 CG1 VAL A 83 5.518 -9.311 -3.053 1.00 0.00 C ATOM 1321 CG2 VAL A 83 3.084 -9.724 -2.654 1.00 0.00 C ATOM 0 H VAL A 83 2.299 -6.795 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 83 4.194 -7.624 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 83 3.923 -8.555 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.575 -10.260 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.241 -8.613 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.744 -9.472 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.184 -10.673 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.253 -9.881 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.080 -9.328 -2.808 1.00 0.00 H new ATOM 1331 N VAL A 84 5.275 -5.415 -2.187 1.00 0.00 N ATOM 1332 CA VAL A 84 6.074 -4.317 -2.624 1.00 0.00 C ATOM 1333 C VAL A 84 7.496 -4.374 -2.115 1.00 0.00 C ATOM 1334 O VAL A 84 7.737 -4.474 -0.917 1.00 0.00 O ATOM 1335 CB VAL A 84 5.366 -2.977 -2.295 1.00 0.00 C ATOM 1336 CG1 VAL A 84 4.169 -2.793 -3.213 1.00 0.00 C ATOM 1337 CG2 VAL A 84 4.891 -2.960 -0.847 1.00 0.00 C ATOM 0 H VAL A 84 5.028 -5.398 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 84 6.170 -4.389 -3.707 1.00 0.00 H new ATOM 0 HB VAL A 84 6.079 -2.166 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.673 -1.851 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.504 -2.780 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.470 -3.616 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.397 -2.011 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.189 -3.778 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.746 -3.079 -0.182 1.00 0.00 H new ATOM 1347 N GLU A 85 8.429 -4.324 -3.048 1.00 0.00 N ATOM 1348 CA GLU A 85 9.838 -4.402 -2.744 1.00 0.00 C ATOM 1349 C GLU A 85 10.537 -3.131 -3.182 1.00 0.00 C ATOM 1350 O GLU A 85 10.502 -2.760 -4.363 1.00 0.00 O ATOM 1351 CB GLU A 85 10.486 -5.590 -3.453 1.00 0.00 C ATOM 1352 CG GLU A 85 11.969 -5.716 -3.155 1.00 0.00 C ATOM 1353 CD GLU A 85 12.646 -6.839 -3.881 1.00 0.00 C ATOM 1354 OE1 GLU A 85 13.004 -6.665 -5.068 1.00 0.00 O ATOM 1355 OE2 GLU A 85 12.868 -7.902 -3.277 1.00 0.00 O ATOM 0 H GLU A 85 8.225 -4.228 -4.043 1.00 0.00 H new ATOM 0 HA GLU A 85 9.939 -4.531 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.980 -6.507 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.344 -5.487 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.462 -4.780 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.102 -5.858 -2.083 1.00 0.00 H new ATOM 1362 N LEU A 86 11.147 -2.461 -2.263 1.00 0.00 N ATOM 1363 CA LEU A 86 11.859 -1.255 -2.569 1.00 0.00 C ATOM 1364 C LEU A 86 13.349 -1.585 -2.750 1.00 0.00 C ATOM 1365 O LEU A 86 13.921 -2.287 -1.944 1.00 0.00 O ATOM 1366 CB LEU A 86 11.654 -0.250 -1.429 1.00 0.00 C ATOM 1367 CG LEU A 86 12.163 1.168 -1.657 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.298 1.923 -2.651 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.283 1.913 -0.344 1.00 0.00 C ATOM 0 H LEU A 86 11.169 -2.729 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 86 11.485 -0.814 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.587 -0.196 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.141 -0.645 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 86 13.159 1.097 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.694 2.930 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.302 1.400 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.277 1.982 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.648 2.923 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.306 1.963 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.982 1.390 0.309 1.00 0.00 H new ATOM 1381 N PRO A 87 13.987 -1.122 -3.840 1.00 0.00 N ATOM 1382 CA PRO A 87 15.424 -1.353 -4.066 1.00 0.00 C ATOM 1383 C PRO A 87 16.275 -0.338 -3.295 1.00 0.00 C ATOM 1384 O PRO A 87 17.500 -0.399 -3.272 1.00 0.00 O ATOM 1385 CB PRO A 87 15.563 -1.155 -5.571 1.00 0.00 C ATOM 1386 CG PRO A 87 14.522 -0.154 -5.911 1.00 0.00 C ATOM 1387 CD PRO A 87 13.374 -0.385 -4.959 1.00 0.00 C ATOM 0 HA PRO A 87 15.763 -2.331 -3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.559 -0.798 -5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.407 -2.089 -6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.911 0.859 -5.810 1.00 0.00 H new ATOM 0 HG3 PRO A 87 14.197 -0.269 -6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.935 0.556 -4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.576 -0.961 -5.427 1.00 0.00 H new ATOM 1395 N VAL A 88 15.598 0.576 -2.664 1.00 0.00 N ATOM 1396 CA VAL A 88 16.208 1.591 -1.854 1.00 0.00 C ATOM 1397 C VAL A 88 16.117 1.091 -0.419 1.00 0.00 C ATOM 1398 O VAL A 88 15.334 0.183 -0.147 1.00 0.00 O ATOM 1399 CB VAL A 88 15.441 2.946 -1.988 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.221 4.097 -1.374 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.084 3.247 -3.439 1.00 0.00 C ATOM 0 H VAL A 88 14.581 0.638 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 88 17.238 1.769 -2.163 1.00 0.00 H new ATOM 0 HB VAL A 88 14.511 2.840 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.655 5.022 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.387 3.900 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.182 4.196 -1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.552 4.197 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.996 3.308 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.449 2.452 -3.830 1.00 0.00 H new ATOM 1411 N ASP A 89 16.902 1.631 0.470 1.00 0.00 N ATOM 1412 CA ASP A 89 16.887 1.206 1.870 1.00 0.00 C ATOM 1413 C ASP A 89 15.630 1.686 2.586 1.00 0.00 C ATOM 1414 O ASP A 89 14.940 2.594 2.098 1.00 0.00 O ATOM 1415 CB ASP A 89 18.139 1.708 2.610 1.00 0.00 C ATOM 1416 CG ASP A 89 19.383 0.982 2.211 1.00 0.00 C ATOM 1417 OD1 ASP A 89 19.642 -0.126 2.744 1.00 0.00 O ATOM 1418 OD2 ASP A 89 20.128 1.500 1.360 1.00 0.00 O ATOM 0 H ASP A 89 17.570 2.373 0.263 1.00 0.00 H new ATOM 0 HA ASP A 89 16.888 0.116 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.268 2.773 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 89 17.989 1.597 3.684 1.00 0.00 H new ATOM 1423 N PRO A 90 15.300 1.097 3.780 1.00 0.00 N ATOM 1424 CA PRO A 90 14.133 1.512 4.603 1.00 0.00 C ATOM 1425 C PRO A 90 14.237 2.980 5.114 1.00 0.00 C ATOM 1426 O PRO A 90 13.403 3.446 5.892 1.00 0.00 O ATOM 1427 CB PRO A 90 14.168 0.537 5.794 1.00 0.00 C ATOM 1428 CG PRO A 90 15.560 0.015 5.823 1.00 0.00 C ATOM 1429 CD PRO A 90 15.986 -0.067 4.397 1.00 0.00 C ATOM 0 HA PRO A 90 13.210 1.480 4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.917 1.043 6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 90 13.446 -0.270 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 90 16.215 0.676 6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 90 15.602 -0.963 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 90 17.069 0.001 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.680 -1.007 3.937 1.00 0.00 H new ATOM 1437 N GLU A 91 15.256 3.687 4.655 1.00 0.00 N ATOM 1438 CA GLU A 91 15.479 5.084 4.976 1.00 0.00 C ATOM 1439 C GLU A 91 14.372 5.923 4.342 1.00 0.00 C ATOM 1440 O GLU A 91 14.002 6.984 4.842 1.00 0.00 O ATOM 1441 CB GLU A 91 16.837 5.532 4.428 1.00 0.00 C ATOM 1442 CG GLU A 91 16.972 5.368 2.916 1.00 0.00 C ATOM 1443 CD GLU A 91 18.236 5.950 2.375 1.00 0.00 C ATOM 1444 OE1 GLU A 91 18.317 7.198 2.239 1.00 0.00 O ATOM 1445 OE2 GLU A 91 19.162 5.192 2.053 1.00 0.00 O ATOM 0 H GLU A 91 15.966 3.296 4.036 1.00 0.00 H new ATOM 0 HA GLU A 91 15.470 5.216 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.996 6.579 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 91 17.624 4.959 4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.931 4.308 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.122 5.844 2.427 1.00 0.00 H new ATOM 1452 N GLU A 92 13.821 5.404 3.247 1.00 0.00 N ATOM 1453 CA GLU A 92 12.754 6.059 2.533 1.00 0.00 C ATOM 1454 C GLU A 92 11.528 6.158 3.374 1.00 0.00 C ATOM 1455 O GLU A 92 10.785 7.104 3.258 1.00 0.00 O ATOM 1456 CB GLU A 92 12.434 5.339 1.240 1.00 0.00 C ATOM 1457 CG GLU A 92 13.459 5.554 0.166 1.00 0.00 C ATOM 1458 CD GLU A 92 13.539 6.996 -0.240 1.00 0.00 C ATOM 1459 OE1 GLU A 92 12.627 7.478 -0.908 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.522 7.673 0.089 1.00 0.00 O ATOM 0 H GLU A 92 14.110 4.515 2.838 1.00 0.00 H new ATOM 0 HA GLU A 92 13.097 7.066 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 92 12.347 4.271 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.463 5.675 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.434 5.221 0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.210 4.944 -0.702 1.00 0.00 H new ATOM 1467 N ILE A 93 11.356 5.208 4.278 1.00 0.00 N ATOM 1468 CA ILE A 93 10.183 5.171 5.131 1.00 0.00 C ATOM 1469 C ILE A 93 10.184 6.400 6.028 1.00 0.00 C ATOM 1470 O ILE A 93 9.151 6.887 6.388 1.00 0.00 O ATOM 1471 CB ILE A 93 10.154 3.916 6.024 1.00 0.00 C ATOM 1472 CG1 ILE A 93 10.400 2.651 5.212 1.00 0.00 C ATOM 1473 CG2 ILE A 93 8.807 3.805 6.748 1.00 0.00 C ATOM 1474 CD1 ILE A 93 10.522 1.408 6.072 1.00 0.00 C ATOM 0 H ILE A 93 12.018 4.449 4.439 1.00 0.00 H new ATOM 0 HA ILE A 93 9.305 5.150 4.485 1.00 0.00 H new ATOM 0 HB ILE A 93 10.954 4.017 6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.583 2.517 4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.312 2.773 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.803 2.913 7.375 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.655 4.687 7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.004 3.736 6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.696 0.541 5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.357 1.524 6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.601 1.264 6.636 1.00 0.00 H new ATOM 1486 N GLU A 94 11.362 6.914 6.333 1.00 0.00 N ATOM 1487 CA GLU A 94 11.486 8.103 7.153 1.00 0.00 C ATOM 1488 C GLU A 94 10.938 9.305 6.396 1.00 0.00 C ATOM 1489 O GLU A 94 10.105 10.053 6.901 1.00 0.00 O ATOM 1490 CB GLU A 94 12.941 8.325 7.544 1.00 0.00 C ATOM 1491 CG GLU A 94 13.539 7.173 8.323 1.00 0.00 C ATOM 1492 CD GLU A 94 12.717 6.831 9.530 1.00 0.00 C ATOM 1493 OE1 GLU A 94 12.766 7.578 10.524 1.00 0.00 O ATOM 1494 OE2 GLU A 94 11.991 5.825 9.495 1.00 0.00 O ATOM 0 H GLU A 94 12.251 6.523 6.022 1.00 0.00 H new ATOM 0 HA GLU A 94 10.907 7.972 8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.531 8.488 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.014 9.234 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.617 6.299 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.551 7.431 8.634 1.00 0.00 H new ATOM 1501 N ARG A 95 11.347 9.428 5.155 1.00 0.00 N ATOM 1502 CA ARG A 95 10.885 10.497 4.290 1.00 0.00 C ATOM 1503 C ARG A 95 9.389 10.309 4.001 1.00 0.00 C ATOM 1504 O ARG A 95 8.644 11.262 3.893 1.00 0.00 O ATOM 1505 CB ARG A 95 11.752 10.528 2.997 1.00 0.00 C ATOM 1506 CG ARG A 95 11.453 11.664 2.007 1.00 0.00 C ATOM 1507 CD ARG A 95 10.342 11.319 1.015 1.00 0.00 C ATOM 1508 NE ARG A 95 10.725 10.201 0.127 1.00 0.00 N ATOM 1509 CZ ARG A 95 10.117 9.884 -1.031 1.00 0.00 C ATOM 1510 NH1 ARG A 95 9.051 10.571 -1.449 1.00 0.00 N ATOM 1511 NH2 ARG A 95 10.578 8.882 -1.760 1.00 0.00 N ATOM 0 H ARG A 95 12.010 8.791 4.713 1.00 0.00 H new ATOM 0 HA ARG A 95 10.999 11.465 4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 95 12.800 10.595 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.626 9.578 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.170 12.558 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.362 11.906 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.436 11.055 1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.107 12.197 0.413 1.00 0.00 H new ATOM 0 HE ARG A 95 11.514 9.623 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.691 11.344 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.597 10.323 -2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.391 8.353 -1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.121 8.638 -2.638 1.00 0.00 H new ATOM 1525 N ILE A 96 8.962 9.069 3.956 1.00 0.00 N ATOM 1526 CA ILE A 96 7.583 8.733 3.682 1.00 0.00 C ATOM 1527 C ILE A 96 6.751 8.751 5.008 1.00 0.00 C ATOM 1528 O ILE A 96 5.548 8.626 5.009 1.00 0.00 O ATOM 1529 CB ILE A 96 7.503 7.359 2.913 1.00 0.00 C ATOM 1530 CG1 ILE A 96 8.309 7.445 1.600 1.00 0.00 C ATOM 1531 CG2 ILE A 96 6.072 6.971 2.583 1.00 0.00 C ATOM 1532 CD1 ILE A 96 8.367 6.150 0.805 1.00 0.00 C ATOM 0 H ILE A 96 9.564 8.260 4.109 1.00 0.00 H new ATOM 0 HA ILE A 96 7.139 9.482 3.027 1.00 0.00 H new ATOM 0 HB ILE A 96 7.921 6.597 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.873 8.222 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.327 7.758 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.066 6.018 2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.499 6.877 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.623 7.739 1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.953 6.305 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.833 5.372 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.357 5.843 0.535 1.00 0.00 H new ATOM 1544 N LEU A 97 7.429 8.942 6.129 1.00 0.00 N ATOM 1545 CA LEU A 97 6.773 9.050 7.442 1.00 0.00 C ATOM 1546 C LEU A 97 6.278 10.465 7.580 1.00 0.00 C ATOM 1547 O LEU A 97 5.226 10.740 8.156 1.00 0.00 O ATOM 1548 CB LEU A 97 7.766 8.743 8.579 1.00 0.00 C ATOM 1549 CG LEU A 97 7.233 8.868 10.014 1.00 0.00 C ATOM 1550 CD1 LEU A 97 6.154 7.839 10.291 1.00 0.00 C ATOM 1551 CD2 LEU A 97 8.364 8.755 11.026 1.00 0.00 C ATOM 0 H LEU A 97 8.445 9.027 6.165 1.00 0.00 H new ATOM 0 HA LEU A 97 5.955 8.333 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.137 7.727 8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.620 9.412 8.474 1.00 0.00 H new ATOM 0 HG LEU A 97 6.784 9.856 10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.797 7.953 11.314 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.325 7.986 9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.564 6.838 10.159 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.960 8.847 12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.854 7.787 10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.089 9.550 10.852 1.00 0.00 H new ATOM 1563 N GLU A 98 7.044 11.351 6.997 1.00 0.00 N ATOM 1564 CA GLU A 98 6.755 12.757 6.950 1.00 0.00 C ATOM 1565 C GLU A 98 5.564 12.956 6.024 1.00 0.00 C ATOM 1566 O GLU A 98 4.701 13.809 6.240 1.00 0.00 O ATOM 1567 CB GLU A 98 7.983 13.452 6.362 1.00 0.00 C ATOM 1568 CG GLU A 98 7.907 14.956 6.293 1.00 0.00 C ATOM 1569 CD GLU A 98 9.126 15.559 5.648 1.00 0.00 C ATOM 1570 OE1 GLU A 98 10.113 15.845 6.356 1.00 0.00 O ATOM 1571 OE2 GLU A 98 9.117 15.761 4.425 1.00 0.00 O ATOM 0 H GLU A 98 7.915 11.103 6.527 1.00 0.00 H new ATOM 0 HA GLU A 98 6.527 13.161 7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.854 13.177 6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.149 13.068 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.019 15.248 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.794 15.359 7.300 1.00 0.00 H new ATOM 1578 N VAL A 99 5.513 12.097 5.035 1.00 0.00 N ATOM 1579 CA VAL A 99 4.513 12.121 4.001 1.00 0.00 C ATOM 1580 C VAL A 99 3.510 10.942 4.215 1.00 0.00 C ATOM 1581 O VAL A 99 2.900 10.432 3.287 1.00 0.00 O ATOM 1582 CB VAL A 99 5.232 12.007 2.613 1.00 0.00 C ATOM 1583 CG1 VAL A 99 4.272 12.248 1.464 1.00 0.00 C ATOM 1584 CG2 VAL A 99 6.379 13.000 2.517 1.00 0.00 C ATOM 0 H VAL A 99 6.188 11.340 4.926 1.00 0.00 H new ATOM 0 HA VAL A 99 3.948 13.052 4.034 1.00 0.00 H new ATOM 0 HB VAL A 99 5.619 10.991 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.807 12.161 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.471 11.509 1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.846 13.248 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.864 12.903 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.994 14.013 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.103 12.797 3.306 1.00 0.00 H new ATOM 1594 N ALA A 100 3.345 10.535 5.470 1.00 0.00 N ATOM 1595 CA ALA A 100 2.450 9.464 5.834 1.00 0.00 C ATOM 1596 C ALA A 100 1.003 9.749 5.440 1.00 0.00 C ATOM 1597 O ALA A 100 0.248 8.830 5.117 1.00 0.00 O ATOM 1598 CB ALA A 100 2.560 9.184 7.323 1.00 0.00 C ATOM 0 H ALA A 100 3.837 10.948 6.262 1.00 0.00 H new ATOM 0 HA ALA A 100 2.753 8.578 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.882 8.374 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.583 8.896 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.294 10.081 7.882 1.00 0.00 H new ATOM 1604 N GLU A 101 0.646 11.011 5.453 1.00 0.00 N ATOM 1605 CA GLU A 101 -0.701 11.441 5.146 1.00 0.00 C ATOM 1606 C GLU A 101 -0.762 12.906 4.683 1.00 0.00 C ATOM 1607 O GLU A 101 -1.217 13.165 3.576 1.00 0.00 O ATOM 1608 CB GLU A 101 -1.671 11.175 6.319 1.00 0.00 C ATOM 1609 CG GLU A 101 -3.090 11.648 6.066 1.00 0.00 C ATOM 1610 CD GLU A 101 -3.960 11.544 7.281 1.00 0.00 C ATOM 1611 OE1 GLU A 101 -3.633 12.180 8.310 1.00 0.00 O ATOM 1612 OE2 GLU A 101 -4.993 10.861 7.240 1.00 0.00 O ATOM 0 H GLU A 101 1.284 11.774 5.678 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.032 10.833 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.687 10.105 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.288 11.668 7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.068 12.684 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.527 11.058 5.260 1.00 0.00 H new ATOM 1619 N PRO A 102 -0.289 13.893 5.486 1.00 0.00 N ATOM 1620 CA PRO A 102 -0.400 15.278 5.102 1.00 0.00 C ATOM 1621 C PRO A 102 0.601 15.686 4.023 1.00 0.00 C ATOM 1622 O PRO A 102 1.782 15.948 4.328 1.00 0.00 O ATOM 1623 CB PRO A 102 -0.190 16.022 6.403 1.00 0.00 C ATOM 1624 CG PRO A 102 0.725 15.162 7.192 1.00 0.00 C ATOM 1625 CD PRO A 102 0.414 13.752 6.794 1.00 0.00 C ATOM 1626 OXT PRO A 102 0.190 15.782 2.850 1.00 0.00 O ATOM 0 HA PRO A 102 -1.361 15.501 4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.245 17.006 6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.134 16.178 6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.767 15.406 6.983 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.572 15.308 8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.321 13.155 6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.215 13.258 7.534 1.00 0.00 H new