USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 76 MET CE :methyl 164:sc= 0 (180deg=-0.347) USER MOD Set 1.2: A 80 THR OG1 : rot 64:sc= 0.753 USER MOD Set 1.3: A 91 THR OG1 : rot -137:sc= 0.312 USER MOD Set 2.1: A 9 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 11 MET CE :methyl -142:sc= -0.271 (180deg=-1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.03) USER MOD Single : A 5 THR OG1 : rot -170:sc= 1.25 USER MOD Single : A 12 ASN : amide:sc= 1.21 K(o=1.2,f=-0.16) USER MOD Single : A 13 MET CE :methyl -141:sc= -1.58 (180deg=-6.05!) USER MOD Single : A 25 TYR OH : rot 173:sc= 0.168 USER MOD Single : A 36 CYS SG : rot -75:sc= 0.0133 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0309) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= -0.024 (180deg=-0.276) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -36:sc= 0.259 USER MOD Single : A 68 SER OG : rot -17:sc= 1.16 USER MOD Single : A 72 CYS SG : rot -158:sc= 0.0153 USER MOD Single : A 73 GLN : amide:sc= -0.409 X(o=-0.41,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00625) USER MOD Single : A 86 ASN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -178:sc= 0.011 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 99 TYR OH : rot 168:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.989 11.343 6.090 1.00 0.00 N ATOM 2 CA GLY A 1 14.274 11.921 5.677 1.00 0.00 C ATOM 3 C GLY A 1 14.183 12.401 4.245 1.00 0.00 C ATOM 4 O GLY A 1 14.150 11.559 3.353 1.00 0.00 O ATOM 0 H1 GLY A 1 13.056 11.015 7.074 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.244 12.065 6.016 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.755 10.540 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.537 12.751 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.065 11.177 5.771 1.00 0.00 H new ATOM 8 N GLY A 2 14.146 13.716 4.017 1.00 0.00 N ATOM 9 CA GLY A 2 14.100 14.316 2.687 1.00 0.00 C ATOM 10 C GLY A 2 12.914 15.264 2.564 1.00 0.00 C ATOM 11 O GLY A 2 12.209 15.508 3.549 1.00 0.00 O ATOM 0 H GLY A 2 14.147 14.405 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.026 14.858 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.026 13.533 1.932 1.00 0.00 H new ATOM 15 N HIS A 3 12.683 15.787 1.359 1.00 0.00 N ATOM 16 CA HIS A 3 11.561 16.675 1.075 1.00 0.00 C ATOM 17 C HIS A 3 10.224 15.924 1.229 1.00 0.00 C ATOM 18 O HIS A 3 10.202 14.689 1.196 1.00 0.00 O ATOM 19 CB HIS A 3 11.764 17.334 -0.301 1.00 0.00 C ATOM 20 CG HIS A 3 11.930 16.437 -1.507 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.119 16.052 -2.104 1.00 0.00 N ATOM 22 CD2 HIS A 3 10.922 16.084 -2.363 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.822 15.473 -3.278 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.499 15.468 -3.476 1.00 0.00 N ATOM 0 H HIS A 3 13.275 15.603 0.549 1.00 0.00 H new ATOM 0 HA HIS A 3 11.520 17.486 1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.911 17.986 -0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.645 17.972 -0.237 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.867 16.252 -2.206 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.549 15.068 -3.966 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.006 15.088 -4.284 1.00 0.00 H new ATOM 32 N PRO A 4 9.097 16.620 1.459 1.00 0.00 N ATOM 33 CA PRO A 4 7.779 16.010 1.339 1.00 0.00 C ATOM 34 C PRO A 4 7.499 15.728 -0.135 1.00 0.00 C ATOM 35 O PRO A 4 7.942 16.487 -0.995 1.00 0.00 O ATOM 36 CB PRO A 4 6.802 17.047 1.886 1.00 0.00 C ATOM 37 CG PRO A 4 7.492 18.371 1.584 1.00 0.00 C ATOM 38 CD PRO A 4 8.976 18.047 1.722 1.00 0.00 C ATOM 0 HA PRO A 4 7.696 15.068 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.829 16.980 1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.633 16.916 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.252 18.728 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.186 19.150 2.282 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.570 18.627 1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.339 18.293 2.720 1.00 0.00 H new ATOM 46 N THR A 5 6.733 14.685 -0.426 1.00 0.00 N ATOM 47 CA THR A 5 6.410 14.286 -1.785 1.00 0.00 C ATOM 48 C THR A 5 4.889 14.143 -1.900 1.00 0.00 C ATOM 49 O THR A 5 4.149 14.231 -0.912 1.00 0.00 O ATOM 50 CB THR A 5 7.184 12.997 -2.135 1.00 0.00 C ATOM 51 OG1 THR A 5 6.873 11.992 -1.192 1.00 0.00 O ATOM 52 CG2 THR A 5 8.702 13.192 -2.115 1.00 0.00 C ATOM 0 H THR A 5 6.314 14.086 0.286 1.00 0.00 H new ATOM 0 HA THR A 5 6.719 15.037 -2.513 1.00 0.00 H new ATOM 0 HB THR A 5 6.883 12.718 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.473 11.228 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.193 12.252 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.980 13.955 -2.842 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.015 13.508 -1.120 1.00 0.00 H new ATOM 60 N GLU A 6 4.419 13.957 -3.129 1.00 0.00 N ATOM 61 CA GLU A 6 3.026 13.688 -3.453 1.00 0.00 C ATOM 62 C GLU A 6 2.610 12.268 -3.039 1.00 0.00 C ATOM 63 O GLU A 6 1.410 11.982 -3.015 1.00 0.00 O ATOM 64 CB GLU A 6 2.765 13.991 -4.948 1.00 0.00 C ATOM 65 CG GLU A 6 3.906 13.595 -5.906 1.00 0.00 C ATOM 66 CD GLU A 6 3.636 14.015 -7.350 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.800 13.391 -8.034 1.00 0.00 O ATOM 68 OE2 GLU A 6 4.182 15.064 -7.768 1.00 0.00 O ATOM 0 H GLU A 6 5.019 13.991 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 6 2.390 14.355 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.857 13.471 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.573 15.058 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.835 14.053 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.050 12.515 -5.867 1.00 0.00 H new ATOM 75 N VAL A 7 3.547 11.391 -2.654 1.00 0.00 N ATOM 76 CA VAL A 7 3.251 10.001 -2.354 1.00 0.00 C ATOM 77 C VAL A 7 3.490 9.722 -0.866 1.00 0.00 C ATOM 78 O VAL A 7 4.330 10.364 -0.224 1.00 0.00 O ATOM 79 CB VAL A 7 4.038 9.065 -3.286 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.026 9.515 -4.747 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.438 8.791 -2.805 1.00 0.00 C ATOM 0 H VAL A 7 4.531 11.635 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 7 2.197 9.800 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 7 3.499 8.118 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.599 8.810 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.998 9.549 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.472 10.507 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.940 8.124 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.990 9.729 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.400 8.321 -1.822 1.00 0.00 H new ATOM 91 N LEU A 8 2.814 8.711 -0.325 1.00 0.00 N ATOM 92 CA LEU A 8 2.870 8.360 1.082 1.00 0.00 C ATOM 93 C LEU A 8 2.945 6.838 1.203 1.00 0.00 C ATOM 94 O LEU A 8 2.119 6.121 0.651 1.00 0.00 O ATOM 95 CB LEU A 8 1.660 8.989 1.806 1.00 0.00 C ATOM 96 CG LEU A 8 1.948 9.482 3.233 1.00 0.00 C ATOM 97 CD1 LEU A 8 2.855 10.715 3.269 1.00 0.00 C ATOM 98 CD2 LEU A 8 0.633 9.876 3.916 1.00 0.00 C ATOM 0 H LEU A 8 2.201 8.104 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 8 3.761 8.759 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.296 9.828 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.856 8.254 1.846 1.00 0.00 H new ATOM 0 HG LEU A 8 2.450 8.660 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.021 11.014 4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.811 10.477 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.380 11.532 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.839 10.225 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.152 10.672 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.028 9.011 3.959 1.00 0.00 H new ATOM 110 N CYS A 9 3.957 6.321 1.895 1.00 0.00 N ATOM 111 CA CYS A 9 4.065 4.905 2.225 1.00 0.00 C ATOM 112 C CYS A 9 3.171 4.643 3.430 1.00 0.00 C ATOM 113 O CYS A 9 3.270 5.355 4.436 1.00 0.00 O ATOM 114 CB CYS A 9 5.517 4.547 2.556 1.00 0.00 C ATOM 115 SG CYS A 9 5.644 2.794 3.011 1.00 0.00 S ATOM 0 H CYS A 9 4.734 6.881 2.246 1.00 0.00 H new ATOM 0 HA CYS A 9 3.754 4.292 1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.155 4.754 1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.875 5.170 3.376 1.00 0.00 H new ATOM 0 HG CYS A 9 6.881 2.506 3.286 1.00 0.00 H new ATOM 121 N LEU A 10 2.313 3.629 3.359 1.00 0.00 N ATOM 122 CA LEU A 10 1.483 3.153 4.452 1.00 0.00 C ATOM 123 C LEU A 10 1.837 1.693 4.726 1.00 0.00 C ATOM 124 O LEU A 10 1.736 0.839 3.841 1.00 0.00 O ATOM 125 CB LEU A 10 -0.016 3.272 4.141 1.00 0.00 C ATOM 126 CG LEU A 10 -0.470 4.318 3.101 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.846 3.650 1.782 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.655 5.096 3.647 1.00 0.00 C ATOM 0 H LEU A 10 2.174 3.097 2.500 1.00 0.00 H new ATOM 0 HA LEU A 10 1.678 3.774 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.363 2.296 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.533 3.488 5.076 1.00 0.00 H new ATOM 0 HG LEU A 10 0.358 5.000 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.162 4.409 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.017 3.115 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.662 2.947 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.975 5.835 2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.477 4.410 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.365 5.602 4.568 1.00 0.00 H new ATOM 140 N MET A 11 2.233 1.388 5.959 1.00 0.00 N ATOM 141 CA MET A 11 2.357 0.004 6.411 1.00 0.00 C ATOM 142 C MET A 11 1.073 -0.361 7.165 1.00 0.00 C ATOM 143 O MET A 11 0.357 0.534 7.623 1.00 0.00 O ATOM 144 CB MET A 11 3.604 -0.158 7.300 1.00 0.00 C ATOM 145 CG MET A 11 4.916 0.351 6.672 1.00 0.00 C ATOM 146 SD MET A 11 5.774 1.684 7.581 1.00 0.00 S ATOM 147 CE MET A 11 4.905 3.177 7.014 1.00 0.00 C ATOM 0 H MET A 11 2.474 2.083 6.666 1.00 0.00 H new ATOM 0 HA MET A 11 2.483 -0.670 5.563 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.436 0.373 8.237 1.00 0.00 H new ATOM 0 HB3 MET A 11 3.722 -1.213 7.548 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.599 -0.492 6.573 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.700 0.706 5.664 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.620 3.991 6.894 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.421 2.975 6.058 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.152 3.461 7.749 1.00 0.00 H new ATOM 157 N ASN A 12 0.829 -1.659 7.379 1.00 0.00 N ATOM 158 CA ASN A 12 -0.218 -2.234 8.235 1.00 0.00 C ATOM 159 C ASN A 12 -1.630 -2.136 7.633 1.00 0.00 C ATOM 160 O ASN A 12 -2.627 -2.180 8.362 1.00 0.00 O ATOM 161 CB ASN A 12 -0.215 -1.653 9.659 1.00 0.00 C ATOM 162 CG ASN A 12 1.130 -1.554 10.364 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.100 -2.236 10.046 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.201 -0.708 11.378 1.00 0.00 N ATOM 0 H ASN A 12 1.392 -2.382 6.931 1.00 0.00 H new ATOM 0 HA ASN A 12 0.040 -3.291 8.296 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.650 -0.654 9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.876 -2.263 10.275 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.069 -0.616 11.906 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.388 -0.147 11.632 1.00 0.00 H new ATOM 171 N MET A 13 -1.751 -1.928 6.323 1.00 0.00 N ATOM 172 CA MET A 13 -3.002 -2.117 5.597 1.00 0.00 C ATOM 173 C MET A 13 -3.168 -3.623 5.386 1.00 0.00 C ATOM 174 O MET A 13 -3.960 -4.260 6.075 1.00 0.00 O ATOM 175 CB MET A 13 -2.965 -1.351 4.258 1.00 0.00 C ATOM 176 CG MET A 13 -3.943 -0.187 4.146 1.00 0.00 C ATOM 177 SD MET A 13 -3.095 1.408 4.093 1.00 0.00 S ATOM 178 CE MET A 13 -2.290 1.357 5.707 1.00 0.00 C ATOM 0 H MET A 13 -0.977 -1.622 5.733 1.00 0.00 H new ATOM 0 HA MET A 13 -3.851 -1.723 6.155 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.955 -0.972 4.103 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.169 -2.054 3.450 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.547 -0.306 3.247 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.627 -0.206 4.994 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.322 2.347 6.161 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.809 0.646 6.350 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.252 1.046 5.586 1.00 0.00 H new ATOM 188 N VAL A 14 -2.379 -4.193 4.478 1.00 0.00 N ATOM 189 CA VAL A 14 -2.504 -5.551 3.959 1.00 0.00 C ATOM 190 C VAL A 14 -1.368 -6.413 4.501 1.00 0.00 C ATOM 191 O VAL A 14 -0.466 -5.915 5.198 1.00 0.00 O ATOM 192 CB VAL A 14 -2.535 -5.525 2.409 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.835 -4.879 1.914 1.00 0.00 C ATOM 194 CG2 VAL A 14 -1.312 -4.819 1.799 1.00 0.00 C ATOM 0 H VAL A 14 -1.593 -3.692 4.063 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.442 -5.994 4.293 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.496 -6.561 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.843 -4.867 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.688 -5.453 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.899 -3.857 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.389 -4.832 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.276 -3.787 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.403 -5.337 2.104 1.00 0.00 H new ATOM 204 N LEU A 15 -1.402 -7.712 4.217 1.00 0.00 N ATOM 205 CA LEU A 15 -0.340 -8.655 4.507 1.00 0.00 C ATOM 206 C LEU A 15 0.246 -9.118 3.173 1.00 0.00 C ATOM 207 O LEU A 15 -0.517 -9.252 2.227 1.00 0.00 O ATOM 208 CB LEU A 15 -0.911 -9.837 5.308 1.00 0.00 C ATOM 209 CG LEU A 15 -1.469 -9.505 6.702 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.479 -8.706 7.562 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.814 -8.784 6.684 1.00 0.00 C ATOM 0 H LEU A 15 -2.204 -8.148 3.761 1.00 0.00 H new ATOM 0 HA LEU A 15 0.445 -8.196 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.706 -10.297 4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.126 -10.585 5.422 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.628 -10.484 7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.926 -8.500 8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.435 -9.285 7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.242 -7.765 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.135 -8.588 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.714 -7.840 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.555 -9.408 6.185 1.00 0.00 H new ATOM 223 N PRO A 16 1.560 -9.404 3.080 1.00 0.00 N ATOM 224 CA PRO A 16 2.326 -9.770 1.870 1.00 0.00 C ATOM 225 C PRO A 16 1.884 -11.060 1.154 1.00 0.00 C ATOM 226 O PRO A 16 2.611 -11.574 0.310 1.00 0.00 O ATOM 227 CB PRO A 16 3.791 -9.845 2.338 1.00 0.00 C ATOM 228 CG PRO A 16 3.662 -10.249 3.801 1.00 0.00 C ATOM 229 CD PRO A 16 2.438 -9.457 4.238 1.00 0.00 C ATOM 0 HA PRO A 16 2.154 -9.020 1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.361 -10.577 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.300 -8.888 2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.516 -11.323 3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.548 -9.983 4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.943 -9.938 5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.717 -8.454 4.562 1.00 0.00 H new ATOM 237 N GLU A 17 0.781 -11.660 1.569 1.00 0.00 N ATOM 238 CA GLU A 17 0.461 -13.075 1.421 1.00 0.00 C ATOM 239 C GLU A 17 -1.008 -13.293 1.048 1.00 0.00 C ATOM 240 O GLU A 17 -1.422 -14.424 0.801 1.00 0.00 O ATOM 241 CB GLU A 17 0.926 -13.846 2.674 1.00 0.00 C ATOM 242 CG GLU A 17 0.363 -13.415 4.047 1.00 0.00 C ATOM 243 CD GLU A 17 1.082 -14.061 5.250 1.00 0.00 C ATOM 244 OE1 GLU A 17 1.882 -15.014 5.084 1.00 0.00 O ATOM 245 OE2 GLU A 17 0.892 -13.583 6.398 1.00 0.00 O ATOM 0 H GLU A 17 0.041 -11.145 2.046 1.00 0.00 H new ATOM 0 HA GLU A 17 1.013 -13.488 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.680 -14.898 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.013 -13.777 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.434 -12.331 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.696 -13.669 4.090 1.00 0.00 H new ATOM 252 N GLU A 18 -1.790 -12.211 0.915 1.00 0.00 N ATOM 253 CA GLU A 18 -3.239 -12.299 0.632 1.00 0.00 C ATOM 254 C GLU A 18 -3.625 -11.665 -0.707 1.00 0.00 C ATOM 255 O GLU A 18 -4.763 -11.733 -1.165 1.00 0.00 O ATOM 256 CB GLU A 18 -3.981 -11.607 1.781 1.00 0.00 C ATOM 257 CG GLU A 18 -3.962 -12.436 3.072 1.00 0.00 C ATOM 258 CD GLU A 18 -5.017 -13.552 3.094 1.00 0.00 C ATOM 259 OE1 GLU A 18 -6.221 -13.248 2.943 1.00 0.00 O ATOM 260 OE2 GLU A 18 -4.614 -14.713 3.365 1.00 0.00 O ATOM 0 H GLU A 18 -1.444 -11.255 0.999 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.516 -13.351 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.526 -10.634 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.014 -11.424 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.973 -12.878 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.125 -11.774 3.923 1.00 0.00 H new ATOM 267 N LEU A 19 -2.653 -11.027 -1.353 1.00 0.00 N ATOM 268 CA LEU A 19 -2.836 -10.168 -2.522 1.00 0.00 C ATOM 269 C LEU A 19 -3.251 -10.923 -3.785 1.00 0.00 C ATOM 270 O LEU A 19 -3.395 -10.347 -4.864 1.00 0.00 O ATOM 271 CB LEU A 19 -1.512 -9.462 -2.846 1.00 0.00 C ATOM 272 CG LEU A 19 -0.924 -8.560 -1.769 1.00 0.00 C ATOM 273 CD1 LEU A 19 -1.919 -7.512 -1.279 1.00 0.00 C ATOM 274 CD2 LEU A 19 -0.237 -9.307 -0.654 1.00 0.00 C ATOM 0 H LEU A 19 -1.677 -11.096 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.635 -9.475 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.773 -10.225 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.659 -8.863 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.121 -8.007 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.450 -6.895 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.225 -6.882 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.794 -8.009 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.155 -8.596 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.952 -9.969 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.583 -9.897 -1.063 1.00 0.00 H new ATOM 286 N LEU A 20 -3.292 -12.239 -3.673 1.00 0.00 N ATOM 287 CA LEU A 20 -3.457 -13.197 -4.741 1.00 0.00 C ATOM 288 C LEU A 20 -4.891 -13.209 -5.268 1.00 0.00 C ATOM 289 O LEU A 20 -5.077 -13.528 -6.438 1.00 0.00 O ATOM 290 CB LEU A 20 -3.038 -14.586 -4.260 1.00 0.00 C ATOM 291 CG LEU A 20 -1.567 -14.759 -3.824 1.00 0.00 C ATOM 292 CD1 LEU A 20 -0.590 -14.323 -4.926 1.00 0.00 C ATOM 293 CD2 LEU A 20 -1.205 -14.089 -2.482 1.00 0.00 C ATOM 0 H LEU A 20 -3.204 -12.695 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.814 -12.901 -5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.676 -14.861 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.241 -15.298 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.461 -15.831 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.434 -14.460 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.755 -14.927 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.755 -13.272 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.152 -14.265 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.387 -13.017 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.819 -14.512 -1.687 1.00 0.00 H new ATOM 305 N ASP A 21 -5.886 -12.828 -4.466 1.00 0.00 N ATOM 306 CA ASP A 21 -7.272 -12.737 -4.919 1.00 0.00 C ATOM 307 C ASP A 21 -7.497 -11.400 -5.609 1.00 0.00 C ATOM 308 O ASP A 21 -7.156 -10.349 -5.064 1.00 0.00 O ATOM 309 CB ASP A 21 -8.260 -12.926 -3.763 1.00 0.00 C ATOM 310 CG ASP A 21 -8.693 -14.384 -3.718 1.00 0.00 C ATOM 311 OD1 ASP A 21 -9.660 -14.748 -4.425 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.042 -15.185 -3.014 1.00 0.00 O ATOM 0 H ASP A 21 -5.753 -12.575 -3.487 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.453 -13.543 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.795 -12.642 -2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.127 -12.279 -3.899 1.00 0.00 H new ATOM 317 N ASP A 22 -8.066 -11.440 -6.812 1.00 0.00 N ATOM 318 CA ASP A 22 -8.191 -10.301 -7.726 1.00 0.00 C ATOM 319 C ASP A 22 -9.403 -9.426 -7.404 1.00 0.00 C ATOM 320 O ASP A 22 -9.475 -8.295 -7.884 1.00 0.00 O ATOM 321 CB ASP A 22 -8.255 -10.776 -9.189 1.00 0.00 C ATOM 322 CG ASP A 22 -6.895 -11.220 -9.727 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.551 -12.414 -9.586 1.00 0.00 O ATOM 324 OD2 ASP A 22 -6.149 -10.398 -10.310 1.00 0.00 O ATOM 0 H ASP A 22 -8.468 -12.296 -7.193 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.299 -9.690 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.960 -11.604 -9.267 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.641 -9.969 -9.812 1.00 0.00 H new ATOM 329 N GLU A 23 -10.359 -9.940 -6.626 1.00 0.00 N ATOM 330 CA GLU A 23 -11.526 -9.196 -6.162 1.00 0.00 C ATOM 331 C GLU A 23 -11.182 -8.481 -4.857 1.00 0.00 C ATOM 332 O GLU A 23 -11.201 -7.257 -4.817 1.00 0.00 O ATOM 333 CB GLU A 23 -12.727 -10.139 -5.992 1.00 0.00 C ATOM 334 CG GLU A 23 -13.204 -10.678 -7.350 1.00 0.00 C ATOM 335 CD GLU A 23 -14.459 -11.552 -7.259 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.607 -12.326 -6.278 1.00 0.00 O ATOM 337 OE2 GLU A 23 -15.242 -11.571 -8.229 1.00 0.00 O ATOM 0 H GLU A 23 -10.340 -10.905 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.804 -8.446 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.451 -10.971 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.543 -9.609 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.405 -9.838 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.400 -11.258 -7.803 1.00 0.00 H new ATOM 344 N GLU A 24 -10.840 -9.227 -3.800 1.00 0.00 N ATOM 345 CA GLU A 24 -10.629 -8.682 -2.461 1.00 0.00 C ATOM 346 C GLU A 24 -9.549 -7.589 -2.453 1.00 0.00 C ATOM 347 O GLU A 24 -9.732 -6.560 -1.806 1.00 0.00 O ATOM 348 CB GLU A 24 -10.326 -9.841 -1.493 1.00 0.00 C ATOM 349 CG GLU A 24 -10.727 -9.494 -0.050 1.00 0.00 C ATOM 350 CD GLU A 24 -10.712 -10.712 0.888 1.00 0.00 C ATOM 351 OE1 GLU A 24 -9.801 -11.562 0.784 1.00 0.00 O ATOM 352 OE2 GLU A 24 -11.624 -10.800 1.756 1.00 0.00 O ATOM 0 H GLU A 24 -10.701 -10.236 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.537 -8.184 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.862 -10.734 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.262 -10.077 -1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.047 -8.736 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.725 -9.056 -0.052 1.00 0.00 H new ATOM 359 N TYR A 25 -8.482 -7.759 -3.243 1.00 0.00 N ATOM 360 CA TYR A 25 -7.455 -6.747 -3.465 1.00 0.00 C ATOM 361 C TYR A 25 -8.041 -5.406 -3.918 1.00 0.00 C ATOM 362 O TYR A 25 -7.525 -4.354 -3.545 1.00 0.00 O ATOM 363 CB TYR A 25 -6.514 -7.306 -4.537 1.00 0.00 C ATOM 364 CG TYR A 25 -5.477 -6.371 -5.124 1.00 0.00 C ATOM 365 CD1 TYR A 25 -5.832 -5.528 -6.193 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.141 -6.434 -4.690 1.00 0.00 C ATOM 367 CE1 TYR A 25 -4.858 -4.763 -6.847 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.152 -5.683 -5.351 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.513 -4.851 -6.434 1.00 0.00 C ATOM 370 OH TYR A 25 -2.569 -4.126 -7.089 1.00 0.00 O ATOM 0 H TYR A 25 -8.309 -8.624 -3.754 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.932 -6.544 -2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.990 -8.161 -4.110 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.126 -7.684 -5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.862 -5.470 -6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.874 -7.058 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.135 -4.110 -7.662 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.122 -5.742 -5.032 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.714 -4.199 -6.616 1.00 0.00 H new ATOM 380 N GLU A 26 -9.062 -5.422 -4.776 1.00 0.00 N ATOM 381 CA GLU A 26 -9.590 -4.231 -5.411 1.00 0.00 C ATOM 382 C GLU A 26 -10.600 -3.524 -4.516 1.00 0.00 C ATOM 383 O GLU A 26 -10.669 -2.295 -4.534 1.00 0.00 O ATOM 384 CB GLU A 26 -10.221 -4.611 -6.758 1.00 0.00 C ATOM 385 CG GLU A 26 -9.320 -4.107 -7.889 1.00 0.00 C ATOM 386 CD GLU A 26 -10.007 -4.111 -9.253 1.00 0.00 C ATOM 387 OE1 GLU A 26 -10.708 -3.108 -9.530 1.00 0.00 O ATOM 388 OE2 GLU A 26 -9.761 -5.041 -10.054 1.00 0.00 O ATOM 0 H GLU A 26 -9.546 -6.278 -5.048 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.771 -3.532 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.342 -5.692 -6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.215 -4.173 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.991 -3.094 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.426 -4.729 -7.938 1.00 0.00 H new ATOM 395 N GLU A 27 -11.339 -4.275 -3.701 1.00 0.00 N ATOM 396 CA GLU A 27 -12.159 -3.697 -2.637 1.00 0.00 C ATOM 397 C GLU A 27 -11.278 -2.802 -1.757 1.00 0.00 C ATOM 398 O GLU A 27 -11.620 -1.653 -1.489 1.00 0.00 O ATOM 399 CB GLU A 27 -12.845 -4.778 -1.788 1.00 0.00 C ATOM 400 CG GLU A 27 -13.640 -5.820 -2.585 1.00 0.00 C ATOM 401 CD GLU A 27 -14.631 -5.228 -3.588 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.559 -4.493 -3.166 1.00 0.00 O ATOM 403 OE2 GLU A 27 -14.560 -5.578 -4.780 1.00 0.00 O ATOM 0 H GLU A 27 -11.387 -5.292 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.951 -3.105 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.085 -5.294 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.518 -4.292 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.940 -6.462 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.185 -6.455 -1.887 1.00 0.00 H new ATOM 410 N ILE A 28 -10.087 -3.285 -1.384 1.00 0.00 N ATOM 411 CA ILE A 28 -9.138 -2.556 -0.545 1.00 0.00 C ATOM 412 C ILE A 28 -8.569 -1.312 -1.271 1.00 0.00 C ATOM 413 O ILE A 28 -7.991 -0.424 -0.634 1.00 0.00 O ATOM 414 CB ILE A 28 -8.042 -3.535 -0.046 1.00 0.00 C ATOM 415 CG1 ILE A 28 -8.628 -4.736 0.744 1.00 0.00 C ATOM 416 CG2 ILE A 28 -7.059 -2.802 0.882 1.00 0.00 C ATOM 417 CD1 ILE A 28 -7.695 -5.953 0.794 1.00 0.00 C ATOM 0 H ILE A 28 -9.754 -4.208 -1.663 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.653 -2.160 0.330 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.541 -3.911 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.850 -4.417 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.574 -5.032 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.295 -3.499 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.586 -1.984 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.598 -2.403 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.170 -6.753 1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.493 -6.298 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.758 -5.674 1.276 1.00 0.00 H new ATOM 429 N VAL A 29 -8.720 -1.193 -2.589 1.00 0.00 N ATOM 430 CA VAL A 29 -8.357 0.015 -3.324 1.00 0.00 C ATOM 431 C VAL A 29 -9.540 0.990 -3.286 1.00 0.00 C ATOM 432 O VAL A 29 -9.331 2.187 -3.075 1.00 0.00 O ATOM 433 CB VAL A 29 -7.935 -0.369 -4.757 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.655 0.828 -5.677 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.650 -1.217 -4.737 1.00 0.00 C ATOM 0 H VAL A 29 -9.099 -1.935 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.505 0.518 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.790 -0.918 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.365 0.468 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.554 1.439 -5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.847 1.428 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.370 -1.477 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.845 -0.647 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.824 -2.128 -4.165 1.00 0.00 H new ATOM 445 N GLU A 30 -10.766 0.515 -3.513 1.00 0.00 N ATOM 446 CA GLU A 30 -11.955 1.356 -3.609 1.00 0.00 C ATOM 447 C GLU A 30 -12.339 1.926 -2.244 1.00 0.00 C ATOM 448 O GLU A 30 -12.610 3.126 -2.134 1.00 0.00 O ATOM 449 CB GLU A 30 -13.116 0.585 -4.268 1.00 0.00 C ATOM 450 CG GLU A 30 -12.853 0.189 -5.737 1.00 0.00 C ATOM 451 CD GLU A 30 -13.644 1.008 -6.774 1.00 0.00 C ATOM 452 OE1 GLU A 30 -14.867 0.805 -6.944 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.018 1.852 -7.474 1.00 0.00 O ATOM 0 H GLU A 30 -10.961 -0.479 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.726 2.206 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.314 -0.317 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.017 1.197 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.788 0.297 -5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.097 -0.866 -5.864 1.00 0.00 H new ATOM 460 N ASP A 31 -12.281 1.109 -1.193 1.00 0.00 N ATOM 461 CA ASP A 31 -12.668 1.510 0.167 1.00 0.00 C ATOM 462 C ASP A 31 -11.782 2.667 0.634 1.00 0.00 C ATOM 463 O ASP A 31 -12.213 3.675 1.204 1.00 0.00 O ATOM 464 CB ASP A 31 -12.484 0.332 1.145 1.00 0.00 C ATOM 465 CG ASP A 31 -13.267 0.479 2.458 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.095 1.415 2.613 1.00 0.00 O ATOM 467 OD2 ASP A 31 -13.056 -0.392 3.335 1.00 0.00 O ATOM 0 H ASP A 31 -11.962 0.142 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.714 1.815 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.794 -0.589 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.424 0.228 1.376 1.00 0.00 H new ATOM 472 N VAL A 32 -10.492 2.520 0.353 1.00 0.00 N ATOM 473 CA VAL A 32 -9.448 3.354 0.921 1.00 0.00 C ATOM 474 C VAL A 32 -9.256 4.595 0.042 1.00 0.00 C ATOM 475 O VAL A 32 -8.790 5.638 0.521 1.00 0.00 O ATOM 476 CB VAL A 32 -8.175 2.500 1.076 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.041 3.287 1.729 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.409 1.248 1.940 1.00 0.00 C ATOM 0 H VAL A 32 -10.141 1.807 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.715 3.720 1.912 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.906 2.207 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.161 2.650 1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.799 4.154 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.352 3.620 2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.481 0.681 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.735 1.549 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.177 0.626 1.479 1.00 0.00 H new ATOM 488 N ARG A 33 -9.662 4.541 -1.231 1.00 0.00 N ATOM 489 CA ARG A 33 -9.813 5.745 -2.031 1.00 0.00 C ATOM 490 C ARG A 33 -10.862 6.640 -1.380 1.00 0.00 C ATOM 491 O ARG A 33 -10.627 7.846 -1.296 1.00 0.00 O ATOM 492 CB ARG A 33 -10.153 5.394 -3.490 1.00 0.00 C ATOM 493 CG ARG A 33 -10.177 6.643 -4.388 1.00 0.00 C ATOM 494 CD ARG A 33 -10.212 6.323 -5.889 1.00 0.00 C ATOM 495 NE ARG A 33 -11.557 5.976 -6.377 1.00 0.00 N ATOM 496 CZ ARG A 33 -12.044 4.747 -6.589 1.00 0.00 C ATOM 497 NH1 ARG A 33 -11.332 3.667 -6.285 1.00 0.00 N ATOM 498 NH2 ARG A 33 -13.246 4.575 -7.122 1.00 0.00 N ATOM 0 H ARG A 33 -9.889 3.676 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.872 6.294 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.420 4.685 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.124 4.900 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.049 7.246 -4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.297 7.250 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.841 7.183 -6.446 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.534 5.495 -6.093 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.185 6.755 -6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.400 3.767 -5.884 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.718 2.738 -6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.812 5.385 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.605 3.633 -7.278 1.00 0.00 H new ATOM 512 N ASP A 34 -11.990 6.090 -0.915 1.00 0.00 N ATOM 513 CA ASP A 34 -13.032 6.906 -0.295 1.00 0.00 C ATOM 514 C ASP A 34 -12.554 7.538 1.009 1.00 0.00 C ATOM 515 O ASP A 34 -12.821 8.720 1.249 1.00 0.00 O ATOM 516 CB ASP A 34 -14.343 6.142 -0.058 1.00 0.00 C ATOM 517 CG ASP A 34 -15.335 7.045 0.682 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.781 8.067 0.114 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.617 6.802 1.884 1.00 0.00 O ATOM 0 H ASP A 34 -12.200 5.093 -0.957 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.245 7.696 -1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.767 5.822 -1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.151 5.241 0.525 1.00 0.00 H new ATOM 524 N GLU A 35 -11.851 6.794 1.864 1.00 0.00 N ATOM 525 CA GLU A 35 -11.429 7.342 3.155 1.00 0.00 C ATOM 526 C GLU A 35 -10.407 8.463 2.947 1.00 0.00 C ATOM 527 O GLU A 35 -10.516 9.544 3.528 1.00 0.00 O ATOM 528 CB GLU A 35 -10.953 6.236 4.115 1.00 0.00 C ATOM 529 CG GLU A 35 -9.482 5.800 4.090 1.00 0.00 C ATOM 530 CD GLU A 35 -9.272 4.660 5.102 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.498 4.910 6.314 1.00 0.00 O ATOM 532 OE2 GLU A 35 -8.932 3.535 4.676 1.00 0.00 O ATOM 0 H GLU A 35 -11.566 5.830 1.692 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.290 7.793 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.180 6.563 5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.560 5.351 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.206 5.468 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.837 6.643 4.336 1.00 0.00 H new ATOM 539 N CYS A 36 -9.420 8.223 2.085 1.00 0.00 N ATOM 540 CA CYS A 36 -8.321 9.142 1.842 1.00 0.00 C ATOM 541 C CYS A 36 -8.797 10.394 1.074 1.00 0.00 C ATOM 542 O CYS A 36 -8.305 11.501 1.309 1.00 0.00 O ATOM 543 CB CYS A 36 -7.244 8.329 1.126 1.00 0.00 C ATOM 544 SG CYS A 36 -5.647 9.159 1.136 1.00 0.00 S ATOM 0 H CYS A 36 -9.365 7.369 1.529 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.906 9.550 2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.148 7.355 1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.552 8.149 0.096 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.659 10.134 0.276 1.00 0.00 H new ATOM 550 N SER A 37 -9.860 10.268 0.268 1.00 0.00 N ATOM 551 CA SER A 37 -10.550 11.359 -0.424 1.00 0.00 C ATOM 552 C SER A 37 -11.036 12.471 0.523 1.00 0.00 C ATOM 553 O SER A 37 -11.332 13.583 0.078 1.00 0.00 O ATOM 554 CB SER A 37 -11.712 10.731 -1.210 1.00 0.00 C ATOM 555 OG SER A 37 -12.591 11.648 -1.815 1.00 0.00 O ATOM 0 H SER A 37 -10.280 9.359 0.073 1.00 0.00 H new ATOM 0 HA SER A 37 -9.852 11.860 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.298 10.084 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.284 10.095 -0.535 1.00 0.00 H new ATOM 0 HG SER A 37 -13.295 11.161 -2.292 1.00 0.00 H new ATOM 561 N LYS A 38 -11.116 12.234 1.837 1.00 0.00 N ATOM 562 CA LYS A 38 -11.531 13.251 2.809 1.00 0.00 C ATOM 563 C LYS A 38 -10.558 14.427 2.922 1.00 0.00 C ATOM 564 O LYS A 38 -10.918 15.420 3.561 1.00 0.00 O ATOM 565 CB LYS A 38 -11.720 12.577 4.174 1.00 0.00 C ATOM 566 CG LYS A 38 -13.017 11.765 4.166 1.00 0.00 C ATOM 567 CD LYS A 38 -13.151 10.893 5.423 1.00 0.00 C ATOM 568 CE LYS A 38 -14.615 10.576 5.744 1.00 0.00 C ATOM 569 NZ LYS A 38 -15.309 11.734 6.329 1.00 0.00 N ATOM 0 H LYS A 38 -10.895 11.331 2.257 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.468 13.680 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.873 11.927 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.754 13.330 4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.869 12.442 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.044 11.131 3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.601 9.963 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.696 11.405 6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.128 10.267 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.662 9.736 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.239 11.437 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.743 12.119 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.436 12.466 5.602 1.00 0.00 H new ATOM 583 N TYR A 39 -9.361 14.340 2.342 1.00 0.00 N ATOM 584 CA TYR A 39 -8.278 15.309 2.546 1.00 0.00 C ATOM 585 C TYR A 39 -7.878 16.057 1.275 1.00 0.00 C ATOM 586 O TYR A 39 -7.230 17.107 1.361 1.00 0.00 O ATOM 587 CB TYR A 39 -7.070 14.594 3.164 1.00 0.00 C ATOM 588 CG TYR A 39 -7.411 14.039 4.526 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.045 12.788 4.626 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.259 14.845 5.669 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.581 12.363 5.847 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.773 14.413 6.904 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.446 13.174 6.990 1.00 0.00 C ATOM 594 OH TYR A 39 -9.046 12.800 8.147 1.00 0.00 O ATOM 0 H TYR A 39 -9.110 13.583 1.706 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.652 16.073 3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.746 13.786 2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.235 15.290 3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.119 12.152 3.756 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.748 15.794 5.598 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.096 11.416 5.912 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.654 15.027 7.785 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.858 13.464 8.843 1.00 0.00 H new ATOM 604 N GLY A 40 -8.282 15.556 0.115 1.00 0.00 N ATOM 605 CA GLY A 40 -7.843 15.983 -1.196 1.00 0.00 C ATOM 606 C GLY A 40 -7.815 14.755 -2.080 1.00 0.00 C ATOM 607 O GLY A 40 -8.380 13.715 -1.728 1.00 0.00 O ATOM 0 H GLY A 40 -8.963 14.798 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.520 16.734 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.855 16.440 -1.141 1.00 0.00 H new ATOM 611 N LEU A 41 -7.217 14.887 -3.258 1.00 0.00 N ATOM 612 CA LEU A 41 -7.454 13.919 -4.306 1.00 0.00 C ATOM 613 C LEU A 41 -6.341 12.895 -4.422 1.00 0.00 C ATOM 614 O LEU A 41 -5.203 13.219 -4.766 1.00 0.00 O ATOM 615 CB LEU A 41 -7.717 14.600 -5.626 1.00 0.00 C ATOM 616 CG LEU A 41 -8.087 13.547 -6.689 1.00 0.00 C ATOM 617 CD1 LEU A 41 -9.310 12.692 -6.341 1.00 0.00 C ATOM 618 CD2 LEU A 41 -8.362 14.284 -7.976 1.00 0.00 C ATOM 0 H LEU A 41 -6.577 15.642 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.351 13.367 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.526 15.322 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.834 15.155 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.250 12.853 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.496 11.979 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.124 12.152 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.181 13.336 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.628 13.569 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.186 14.982 -7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.471 14.834 -8.278 1.00 0.00 H new ATOM 630 N VAL A 42 -6.725 11.642 -4.221 1.00 0.00 N ATOM 631 CA VAL A 42 -5.922 10.474 -4.519 1.00 0.00 C ATOM 632 C VAL A 42 -5.833 10.384 -6.046 1.00 0.00 C ATOM 633 O VAL A 42 -6.850 10.270 -6.739 1.00 0.00 O ATOM 634 CB VAL A 42 -6.559 9.219 -3.882 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.707 7.973 -4.158 1.00 0.00 C ATOM 636 CG2 VAL A 42 -6.730 9.355 -2.359 1.00 0.00 C ATOM 0 H VAL A 42 -7.638 11.407 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.918 10.545 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.543 9.117 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.176 7.103 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.627 7.818 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.711 8.112 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.182 8.446 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.755 9.509 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.374 10.206 -2.140 1.00 0.00 H new ATOM 646 N LYS A 43 -4.621 10.501 -6.586 1.00 0.00 N ATOM 647 CA LYS A 43 -4.297 10.008 -7.917 1.00 0.00 C ATOM 648 C LYS A 43 -4.425 8.483 -7.940 1.00 0.00 C ATOM 649 O LYS A 43 -5.181 7.959 -8.760 1.00 0.00 O ATOM 650 CB LYS A 43 -2.869 10.436 -8.291 1.00 0.00 C ATOM 651 CG LYS A 43 -2.503 10.167 -9.763 1.00 0.00 C ATOM 652 CD LYS A 43 -2.057 11.442 -10.492 1.00 0.00 C ATOM 653 CE LYS A 43 -3.156 12.238 -11.206 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.466 12.242 -10.533 1.00 0.00 N ATOM 0 H LYS A 43 -3.835 10.943 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.989 10.429 -8.646 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.754 11.500 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.162 9.910 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.704 9.427 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.363 9.739 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.575 12.099 -9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.300 11.168 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.820 13.269 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.282 11.832 -12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.085 12.947 -10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.900 11.300 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.340 12.481 -9.529 1.00 0.00 H new ATOM 668 N SER A 44 -3.717 7.773 -7.065 1.00 0.00 N ATOM 669 CA SER A 44 -3.553 6.333 -7.185 1.00 0.00 C ATOM 670 C SER A 44 -3.136 5.685 -5.869 1.00 0.00 C ATOM 671 O SER A 44 -2.772 6.364 -4.910 1.00 0.00 O ATOM 672 CB SER A 44 -2.535 6.040 -8.301 1.00 0.00 C ATOM 673 OG SER A 44 -1.526 7.023 -8.409 1.00 0.00 O ATOM 0 H SER A 44 -3.244 8.180 -6.258 1.00 0.00 H new ATOM 0 HA SER A 44 -4.517 5.894 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.071 5.072 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.061 5.963 -9.252 1.00 0.00 H new ATOM 0 HG SER A 44 -0.910 6.781 -9.132 1.00 0.00 H new ATOM 679 N ILE A 45 -3.170 4.352 -5.854 1.00 0.00 N ATOM 680 CA ILE A 45 -2.640 3.471 -4.827 1.00 0.00 C ATOM 681 C ILE A 45 -1.743 2.477 -5.579 1.00 0.00 C ATOM 682 O ILE A 45 -1.961 2.221 -6.767 1.00 0.00 O ATOM 683 CB ILE A 45 -3.811 2.806 -4.060 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.688 3.852 -3.331 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.315 1.805 -3.012 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.039 4.101 -4.006 1.00 0.00 C ATOM 0 H ILE A 45 -3.600 3.828 -6.616 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.056 3.983 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.399 2.288 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.859 3.519 -2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.142 4.794 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.169 1.363 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.740 1.020 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.683 2.319 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.598 4.845 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.877 4.465 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.606 3.171 -4.040 1.00 0.00 H new ATOM 698 N GLU A 46 -0.728 1.918 -4.920 1.00 0.00 N ATOM 699 CA GLU A 46 0.085 0.815 -5.426 1.00 0.00 C ATOM 700 C GLU A 46 0.171 -0.243 -4.327 1.00 0.00 C ATOM 701 O GLU A 46 0.416 0.073 -3.157 1.00 0.00 O ATOM 702 CB GLU A 46 1.497 1.267 -5.838 1.00 0.00 C ATOM 703 CG GLU A 46 2.114 0.524 -7.044 1.00 0.00 C ATOM 704 CD GLU A 46 1.842 -0.990 -7.180 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.668 -1.413 -7.372 1.00 0.00 O ATOM 706 OE2 GLU A 46 2.786 -1.802 -7.157 1.00 0.00 O ATOM 0 H GLU A 46 -0.441 2.230 -3.992 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.385 0.414 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.465 2.332 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.161 1.146 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.759 1.010 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.194 0.667 -7.007 1.00 0.00 H new ATOM 713 N ILE A 47 -0.049 -1.494 -4.711 1.00 0.00 N ATOM 714 CA ILE A 47 -0.068 -2.670 -3.862 1.00 0.00 C ATOM 715 C ILE A 47 0.689 -3.745 -4.655 1.00 0.00 C ATOM 716 O ILE A 47 0.087 -4.489 -5.429 1.00 0.00 O ATOM 717 CB ILE A 47 -1.513 -3.089 -3.500 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.362 -1.893 -3.032 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.447 -4.200 -2.436 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.767 -2.254 -2.550 1.00 0.00 C ATOM 0 H ILE A 47 -0.230 -1.725 -5.688 1.00 0.00 H new ATOM 0 HA ILE A 47 0.407 -2.492 -2.897 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.011 -3.471 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.835 -1.385 -2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.447 -1.182 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.458 -4.508 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.901 -5.055 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.935 -3.825 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.289 -1.349 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.318 -2.732 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.697 -2.939 -1.705 1.00 0.00 H new ATOM 732 N PRO A 48 2.024 -3.802 -4.564 1.00 0.00 N ATOM 733 CA PRO A 48 2.787 -4.840 -5.243 1.00 0.00 C ATOM 734 C PRO A 48 2.408 -6.215 -4.676 1.00 0.00 C ATOM 735 O PRO A 48 2.047 -6.331 -3.499 1.00 0.00 O ATOM 736 CB PRO A 48 4.256 -4.478 -5.034 1.00 0.00 C ATOM 737 CG PRO A 48 4.237 -3.636 -3.761 1.00 0.00 C ATOM 738 CD PRO A 48 2.890 -2.927 -3.801 1.00 0.00 C ATOM 0 HA PRO A 48 2.577 -4.899 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.876 -5.367 -4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.656 -3.918 -5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.333 -4.258 -2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.062 -2.923 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.500 -2.765 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.974 -1.948 -4.272 1.00 0.00 H new ATOM 746 N ARG A 49 2.459 -7.253 -5.514 1.00 0.00 N ATOM 747 CA ARG A 49 1.896 -8.579 -5.238 1.00 0.00 C ATOM 748 C ARG A 49 3.040 -9.606 -5.241 1.00 0.00 C ATOM 749 O ARG A 49 4.020 -9.403 -5.967 1.00 0.00 O ATOM 750 CB ARG A 49 0.850 -8.902 -6.336 1.00 0.00 C ATOM 751 CG ARG A 49 -0.340 -7.917 -6.382 1.00 0.00 C ATOM 752 CD ARG A 49 -0.917 -7.636 -7.779 1.00 0.00 C ATOM 753 NE ARG A 49 -1.786 -8.715 -8.273 1.00 0.00 N ATOM 754 CZ ARG A 49 -2.861 -8.581 -9.063 1.00 0.00 C ATOM 755 NH1 ARG A 49 -3.128 -7.421 -9.657 1.00 0.00 N ATOM 756 NH2 ARG A 49 -3.663 -9.625 -9.246 1.00 0.00 N ATOM 0 H ARG A 49 2.905 -7.194 -6.429 1.00 0.00 H new ATOM 0 HA ARG A 49 1.405 -8.609 -4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.346 -8.902 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.468 -9.910 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.138 -8.310 -5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.023 -6.971 -5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.484 -6.705 -7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.097 -7.488 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.546 -9.663 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.512 -6.621 -9.514 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.949 -7.332 -10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.457 -10.513 -8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.485 -9.538 -9.844 1.00 0.00 H new ATOM 770 N PRO A 50 2.954 -10.707 -4.476 1.00 0.00 N ATOM 771 CA PRO A 50 3.918 -11.798 -4.541 1.00 0.00 C ATOM 772 C PRO A 50 3.766 -12.502 -5.881 1.00 0.00 C ATOM 773 O PRO A 50 2.678 -12.934 -6.276 1.00 0.00 O ATOM 774 CB PRO A 50 3.627 -12.693 -3.342 1.00 0.00 C ATOM 775 CG PRO A 50 2.148 -12.450 -3.052 1.00 0.00 C ATOM 776 CD PRO A 50 1.879 -11.034 -3.561 1.00 0.00 C ATOM 0 HA PRO A 50 4.956 -11.470 -4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.823 -13.741 -3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.250 -12.430 -2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.520 -13.180 -3.562 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.934 -12.535 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.914 -10.981 -4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.847 -10.325 -2.733 1.00 0.00 H new ATOM 784 N VAL A 51 4.883 -12.578 -6.591 1.00 0.00 N ATOM 785 CA VAL A 51 4.959 -13.195 -7.908 1.00 0.00 C ATOM 786 C VAL A 51 4.985 -14.703 -7.683 1.00 0.00 C ATOM 787 O VAL A 51 5.988 -15.235 -7.225 1.00 0.00 O ATOM 788 CB VAL A 51 6.197 -12.706 -8.690 1.00 0.00 C ATOM 789 CG1 VAL A 51 6.085 -13.134 -10.156 1.00 0.00 C ATOM 790 CG2 VAL A 51 6.365 -11.181 -8.625 1.00 0.00 C ATOM 0 H VAL A 51 5.775 -12.207 -6.263 1.00 0.00 H new ATOM 0 HA VAL A 51 4.100 -12.917 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 51 7.072 -13.159 -8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.961 -12.787 -10.704 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.028 -14.221 -10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.187 -12.699 -10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.250 -10.888 -9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.485 -10.700 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.479 -10.872 -7.586 1.00 0.00 H new ATOM 800 N ASP A 52 3.877 -15.387 -7.953 1.00 0.00 N ATOM 801 CA ASP A 52 3.756 -16.842 -7.802 1.00 0.00 C ATOM 802 C ASP A 52 4.100 -17.365 -6.395 1.00 0.00 C ATOM 803 O ASP A 52 4.415 -18.540 -6.195 1.00 0.00 O ATOM 804 CB ASP A 52 4.547 -17.516 -8.928 1.00 0.00 C ATOM 805 CG ASP A 52 4.112 -18.956 -9.184 1.00 0.00 C ATOM 806 OD1 ASP A 52 2.912 -19.212 -9.445 1.00 0.00 O ATOM 807 OD2 ASP A 52 4.979 -19.848 -9.228 1.00 0.00 O ATOM 0 H ASP A 52 3.022 -14.943 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 52 2.705 -17.113 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.428 -16.938 -9.844 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.608 -17.502 -8.678 1.00 0.00 H new ATOM 812 N GLY A 53 3.960 -16.474 -5.412 1.00 0.00 N ATOM 813 CA GLY A 53 4.241 -16.680 -3.992 1.00 0.00 C ATOM 814 C GLY A 53 5.669 -16.345 -3.559 1.00 0.00 C ATOM 815 O GLY A 53 6.019 -16.546 -2.395 1.00 0.00 O ATOM 0 H GLY A 53 3.626 -15.529 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.549 -16.073 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.038 -17.722 -3.744 1.00 0.00 H new ATOM 819 N VAL A 54 6.496 -15.798 -4.453 1.00 0.00 N ATOM 820 CA VAL A 54 7.836 -15.342 -4.105 1.00 0.00 C ATOM 821 C VAL A 54 7.803 -14.202 -3.078 1.00 0.00 C ATOM 822 O VAL A 54 6.855 -13.410 -3.018 1.00 0.00 O ATOM 823 CB VAL A 54 8.579 -14.933 -5.386 1.00 0.00 C ATOM 824 CG1 VAL A 54 8.248 -13.506 -5.794 1.00 0.00 C ATOM 825 CG2 VAL A 54 10.092 -15.144 -5.282 1.00 0.00 C ATOM 0 H VAL A 54 6.253 -15.661 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 54 8.374 -16.162 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 54 8.222 -15.597 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.792 -13.252 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.177 -13.419 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.538 -12.823 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.567 -14.839 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.487 -14.546 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.301 -16.198 -5.097 1.00 0.00 H new ATOM 835 N GLU A 55 8.925 -14.030 -2.381 1.00 0.00 N ATOM 836 CA GLU A 55 9.232 -12.780 -1.708 1.00 0.00 C ATOM 837 C GLU A 55 9.665 -11.738 -2.754 1.00 0.00 C ATOM 838 O GLU A 55 10.562 -11.945 -3.585 1.00 0.00 O ATOM 839 CB GLU A 55 10.285 -12.986 -0.600 1.00 0.00 C ATOM 840 CG GLU A 55 11.689 -13.122 -1.189 1.00 0.00 C ATOM 841 CD GLU A 55 12.688 -13.863 -0.327 1.00 0.00 C ATOM 842 OE1 GLU A 55 12.614 -15.122 -0.326 1.00 0.00 O ATOM 843 OE2 GLU A 55 13.630 -13.216 0.176 1.00 0.00 O ATOM 0 H GLU A 55 9.639 -14.750 -2.270 1.00 0.00 H new ATOM 0 HA GLU A 55 8.341 -12.405 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.258 -12.144 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.041 -13.879 -0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.614 -13.633 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.078 -12.124 -1.390 1.00 0.00 H new ATOM 850 N VAL A 56 9.017 -10.587 -2.705 1.00 0.00 N ATOM 851 CA VAL A 56 9.407 -9.379 -3.416 1.00 0.00 C ATOM 852 C VAL A 56 9.810 -8.278 -2.423 1.00 0.00 C ATOM 853 O VAL A 56 9.170 -8.121 -1.377 1.00 0.00 O ATOM 854 CB VAL A 56 8.298 -8.917 -4.376 1.00 0.00 C ATOM 855 CG1 VAL A 56 8.596 -9.367 -5.812 1.00 0.00 C ATOM 856 CG2 VAL A 56 6.882 -9.385 -4.011 1.00 0.00 C ATOM 0 H VAL A 56 8.172 -10.462 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 56 10.280 -9.603 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 56 8.306 -7.831 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.798 -9.029 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.543 -8.938 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.659 -10.455 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.173 -9.008 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.850 -10.474 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.616 -9.005 -3.024 1.00 0.00 H new ATOM 866 N PRO A 57 10.826 -7.460 -2.749 1.00 0.00 N ATOM 867 CA PRO A 57 11.292 -6.379 -1.895 1.00 0.00 C ATOM 868 C PRO A 57 10.203 -5.315 -1.828 1.00 0.00 C ATOM 869 O PRO A 57 9.718 -4.838 -2.857 1.00 0.00 O ATOM 870 CB PRO A 57 12.580 -5.863 -2.548 1.00 0.00 C ATOM 871 CG PRO A 57 12.331 -6.136 -4.024 1.00 0.00 C ATOM 872 CD PRO A 57 11.578 -7.461 -3.992 1.00 0.00 C ATOM 0 HA PRO A 57 11.498 -6.687 -0.870 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.738 -4.802 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.461 -6.390 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.742 -5.346 -4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.262 -6.212 -4.585 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.913 -7.554 -4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.268 -8.304 -4.031 1.00 0.00 H new ATOM 880 N GLY A 58 9.778 -4.963 -0.620 1.00 0.00 N ATOM 881 CA GLY A 58 8.736 -3.973 -0.422 1.00 0.00 C ATOM 882 C GLY A 58 7.339 -4.591 -0.395 1.00 0.00 C ATOM 883 O GLY A 58 6.359 -3.853 -0.501 1.00 0.00 O ATOM 0 H GLY A 58 10.147 -5.357 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.914 -3.445 0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.787 -3.232 -1.220 1.00 0.00 H new ATOM 887 N CYS A 59 7.207 -5.917 -0.287 1.00 0.00 N ATOM 888 CA CYS A 59 5.894 -6.531 -0.135 1.00 0.00 C ATOM 889 C CYS A 59 5.297 -6.200 1.240 1.00 0.00 C ATOM 890 O CYS A 59 6.027 -5.955 2.203 1.00 0.00 O ATOM 891 CB CYS A 59 6.018 -8.047 -0.341 1.00 0.00 C ATOM 892 SG CYS A 59 4.457 -8.721 -0.989 1.00 0.00 S ATOM 0 H CYS A 59 7.986 -6.575 -0.302 1.00 0.00 H new ATOM 0 HA CYS A 59 5.215 -6.129 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.831 -8.262 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.268 -8.531 0.603 1.00 0.00 H new ATOM 0 HG CYS A 59 4.576 -10.004 -1.161 1.00 0.00 H new ATOM 898 N GLY A 60 3.968 -6.218 1.332 1.00 0.00 N ATOM 899 CA GLY A 60 3.189 -5.989 2.540 1.00 0.00 C ATOM 900 C GLY A 60 2.851 -4.514 2.759 1.00 0.00 C ATOM 901 O GLY A 60 1.775 -4.215 3.280 1.00 0.00 O ATOM 0 H GLY A 60 3.378 -6.403 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.265 -6.564 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.745 -6.361 3.401 1.00 0.00 H new ATOM 905 N LYS A 61 3.718 -3.579 2.349 1.00 0.00 N ATOM 906 CA LYS A 61 3.391 -2.150 2.399 1.00 0.00 C ATOM 907 C LYS A 61 2.358 -1.829 1.311 1.00 0.00 C ATOM 908 O LYS A 61 2.064 -2.666 0.451 1.00 0.00 O ATOM 909 CB LYS A 61 4.629 -1.239 2.246 1.00 0.00 C ATOM 910 CG LYS A 61 5.869 -1.610 3.060 1.00 0.00 C ATOM 911 CD LYS A 61 6.807 -2.487 2.218 1.00 0.00 C ATOM 912 CE LYS A 61 8.157 -2.601 2.895 1.00 0.00 C ATOM 913 NZ LYS A 61 9.005 -1.411 2.698 1.00 0.00 N ATOM 0 H LYS A 61 4.646 -3.786 1.981 1.00 0.00 H new ATOM 0 HA LYS A 61 2.979 -1.944 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.908 -1.221 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.338 -0.224 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.390 -0.706 3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.575 -2.142 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.372 -3.478 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.925 -2.057 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.009 -2.761 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.677 -3.478 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.914 -1.548 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.174 -1.269 1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.526 -0.575 3.089 1.00 0.00 H new ATOM 927 N ILE A 62 1.847 -0.601 1.329 1.00 0.00 N ATOM 928 CA ILE A 62 1.105 0.033 0.245 1.00 0.00 C ATOM 929 C ILE A 62 1.771 1.397 0.054 1.00 0.00 C ATOM 930 O ILE A 62 2.295 1.978 1.013 1.00 0.00 O ATOM 931 CB ILE A 62 -0.396 0.123 0.618 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.955 -1.315 0.647 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.212 1.011 -0.337 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.477 -1.432 0.653 1.00 0.00 C ATOM 0 H ILE A 62 1.945 0.009 2.141 1.00 0.00 H new ATOM 0 HA ILE A 62 1.132 -0.527 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.484 0.601 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.571 -1.852 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.566 -1.819 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.254 1.029 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.811 2.024 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.150 0.610 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.761 -2.484 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.877 -0.931 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.881 -0.965 -0.245 1.00 0.00 H new ATOM 946 N PHE A 63 1.729 1.930 -1.161 1.00 0.00 N ATOM 947 CA PHE A 63 2.038 3.328 -1.433 1.00 0.00 C ATOM 948 C PHE A 63 0.747 4.011 -1.911 1.00 0.00 C ATOM 949 O PHE A 63 -0.084 3.370 -2.558 1.00 0.00 O ATOM 950 CB PHE A 63 3.163 3.395 -2.472 1.00 0.00 C ATOM 951 CG PHE A 63 4.346 2.475 -2.237 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.292 1.151 -2.703 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.499 2.931 -1.572 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.381 0.296 -2.516 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.601 2.069 -1.402 1.00 0.00 C ATOM 956 CZ PHE A 63 6.549 0.752 -1.888 1.00 0.00 C ATOM 0 H PHE A 63 1.477 1.398 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 63 2.391 3.850 -0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.740 3.167 -3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.530 4.421 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.406 0.793 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.540 3.941 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.323 -0.727 -2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.488 2.422 -0.897 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.401 0.097 -1.779 1.00 0.00 H new ATOM 966 N VAL A 64 0.577 5.309 -1.660 1.00 0.00 N ATOM 967 CA VAL A 64 -0.529 6.119 -2.188 1.00 0.00 C ATOM 968 C VAL A 64 0.113 7.347 -2.835 1.00 0.00 C ATOM 969 O VAL A 64 1.276 7.627 -2.542 1.00 0.00 O ATOM 970 CB VAL A 64 -1.594 6.374 -1.085 1.00 0.00 C ATOM 971 CG1 VAL A 64 -1.047 7.023 0.194 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.797 7.208 -1.541 1.00 0.00 C ATOM 0 H VAL A 64 1.217 5.842 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.113 5.621 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.919 5.357 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.859 7.163 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.286 6.377 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.606 7.990 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.488 7.336 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.454 8.185 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.305 6.697 -2.359 1.00 0.00 H new ATOM 982 N GLU A 65 -0.590 8.026 -3.740 1.00 0.00 N ATOM 983 CA GLU A 65 -0.090 9.136 -4.539 1.00 0.00 C ATOM 984 C GLU A 65 -1.259 10.089 -4.724 1.00 0.00 C ATOM 985 O GLU A 65 -2.338 9.691 -5.176 1.00 0.00 O ATOM 986 CB GLU A 65 0.516 8.550 -5.835 1.00 0.00 C ATOM 987 CG GLU A 65 0.932 9.511 -6.961 1.00 0.00 C ATOM 988 CD GLU A 65 1.826 8.807 -7.996 1.00 0.00 C ATOM 989 OE1 GLU A 65 1.267 8.126 -8.891 1.00 0.00 O ATOM 990 OE2 GLU A 65 3.065 8.923 -7.873 1.00 0.00 O ATOM 0 H GLU A 65 -1.565 7.806 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 65 0.715 9.710 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.395 7.970 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.209 7.850 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.043 9.904 -7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.464 10.362 -6.537 1.00 0.00 H new ATOM 997 N PHE A 66 -1.077 11.331 -4.276 1.00 0.00 N ATOM 998 CA PHE A 66 -2.072 12.386 -4.454 1.00 0.00 C ATOM 999 C PHE A 66 -1.756 13.168 -5.716 1.00 0.00 C ATOM 1000 O PHE A 66 -0.627 13.178 -6.199 1.00 0.00 O ATOM 1001 CB PHE A 66 -2.108 13.357 -3.268 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.535 12.723 -1.967 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -3.893 12.613 -1.611 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -1.548 12.218 -1.118 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -4.250 11.979 -0.409 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -1.898 11.588 0.088 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.251 11.456 0.433 1.00 0.00 C ATOM 0 H PHE A 66 -0.238 11.633 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.048 11.905 -4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.118 13.794 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.789 14.175 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.657 13.015 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.507 12.312 -1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.290 11.893 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.130 11.208 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.527 10.952 1.347 1.00 0.00 H new ATOM 1017 N THR A 67 -2.732 13.921 -6.214 1.00 0.00 N ATOM 1018 CA THR A 67 -2.503 14.840 -7.318 1.00 0.00 C ATOM 1019 C THR A 67 -1.698 16.092 -6.905 1.00 0.00 C ATOM 1020 O THR A 67 -1.446 16.924 -7.781 1.00 0.00 O ATOM 1021 CB THR A 67 -3.856 15.179 -7.952 1.00 0.00 C ATOM 1022 OG1 THR A 67 -3.710 15.797 -9.212 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.689 16.058 -7.029 1.00 0.00 C ATOM 0 H THR A 67 -3.691 13.911 -5.867 1.00 0.00 H new ATOM 0 HA THR A 67 -1.872 14.354 -8.062 1.00 0.00 H new ATOM 0 HB THR A 67 -4.379 14.235 -8.103 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.926 16.384 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.644 16.283 -7.505 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.866 15.534 -6.090 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.154 16.987 -6.831 1.00 0.00 H new ATOM 1031 N SER A 68 -1.304 16.277 -5.632 1.00 0.00 N ATOM 1032 CA SER A 68 -0.343 17.305 -5.236 1.00 0.00 C ATOM 1033 C SER A 68 0.317 16.974 -3.892 1.00 0.00 C ATOM 1034 O SER A 68 -0.297 16.341 -3.032 1.00 0.00 O ATOM 1035 CB SER A 68 -1.058 18.664 -5.101 1.00 0.00 C ATOM 1036 OG SER A 68 -1.716 19.076 -6.287 1.00 0.00 O ATOM 0 H SER A 68 -1.647 15.714 -4.854 1.00 0.00 H new ATOM 0 HA SER A 68 0.426 17.347 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.787 18.604 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.329 19.423 -4.817 1.00 0.00 H new ATOM 0 HG SER A 68 -1.378 18.556 -7.046 1.00 0.00 H new ATOM 1042 N VAL A 69 1.520 17.516 -3.672 1.00 0.00 N ATOM 1043 CA VAL A 69 2.232 17.521 -2.393 1.00 0.00 C ATOM 1044 C VAL A 69 1.390 18.247 -1.329 1.00 0.00 C ATOM 1045 O VAL A 69 1.425 17.881 -0.156 1.00 0.00 O ATOM 1046 CB VAL A 69 3.621 18.185 -2.574 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.460 18.113 -1.289 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.457 17.555 -3.702 1.00 0.00 C ATOM 0 H VAL A 69 2.044 17.982 -4.412 1.00 0.00 H new ATOM 0 HA VAL A 69 2.389 16.498 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 69 3.395 19.220 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.426 18.589 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.937 18.629 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.613 17.070 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.416 18.068 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.625 16.500 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.923 17.651 -4.647 1.00 0.00 H new ATOM 1058 N PHE A 70 0.605 19.258 -1.723 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.270 19.998 -0.818 1.00 0.00 C ATOM 1060 C PHE A 70 -1.296 19.060 -0.189 1.00 0.00 C ATOM 1061 O PHE A 70 -1.335 18.939 1.035 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.962 21.150 -1.564 1.00 0.00 C ATOM 1063 CG PHE A 70 -0.181 22.450 -1.538 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.023 22.579 -2.258 1.00 0.00 C ATOM 1065 CD2 PHE A 70 -0.641 23.530 -0.760 1.00 0.00 C ATOM 1066 CE1 PHE A 70 1.762 23.771 -2.178 1.00 0.00 C ATOM 1067 CE2 PHE A 70 0.095 24.725 -0.692 1.00 0.00 C ATOM 1068 CZ PHE A 70 1.307 24.842 -1.393 1.00 0.00 C ATOM 0 H PHE A 70 0.562 19.585 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 70 0.334 20.427 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.124 20.854 -2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.945 21.318 -1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.377 21.763 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.567 23.439 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.688 23.864 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.270 25.552 -0.102 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.886 25.752 -1.328 1.00 0.00 H new ATOM 1078 N ASP A 71 -2.121 18.402 -1.009 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.158 17.450 -0.587 1.00 0.00 C ATOM 1080 C ASP A 71 -2.551 16.398 0.346 1.00 0.00 C ATOM 1081 O ASP A 71 -3.127 16.055 1.383 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.816 16.781 -1.823 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.622 17.716 -2.744 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -4.231 18.899 -2.916 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -5.647 17.289 -3.320 1.00 0.00 O ATOM 0 H ASP A 71 -2.085 18.520 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.934 17.989 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.033 16.306 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.477 15.988 -1.474 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.333 15.972 0.011 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.575 14.975 0.735 1.00 0.00 C ATOM 1092 C CYS A 72 -0.235 15.480 2.139 1.00 0.00 C ATOM 1093 O CYS A 72 -0.464 14.767 3.119 1.00 0.00 O ATOM 1094 CB CYS A 72 0.691 14.615 -0.070 1.00 0.00 C ATOM 1095 SG CYS A 72 1.480 13.113 0.565 1.00 0.00 S ATOM 0 H CYS A 72 -0.836 16.331 -0.804 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.172 14.071 0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.428 14.473 -1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.398 15.444 -0.028 1.00 0.00 H new ATOM 0 HG CYS A 72 2.731 13.097 0.212 1.00 0.00 H new ATOM 1101 N GLN A 73 0.314 16.694 2.248 1.00 0.00 N ATOM 1102 CA GLN A 73 0.757 17.301 3.501 1.00 0.00 C ATOM 1103 C GLN A 73 -0.365 17.366 4.541 1.00 0.00 C ATOM 1104 O GLN A 73 -0.085 17.301 5.744 1.00 0.00 O ATOM 1105 CB GLN A 73 1.341 18.709 3.224 1.00 0.00 C ATOM 1106 CG GLN A 73 2.873 18.707 3.296 1.00 0.00 C ATOM 1107 CD GLN A 73 3.472 20.096 3.080 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.618 20.894 4.009 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.836 20.405 1.847 1.00 0.00 N ATOM 0 H GLN A 73 0.466 17.298 1.440 1.00 0.00 H new ATOM 0 HA GLN A 73 1.537 16.667 3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.023 19.048 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.943 19.418 3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.187 18.327 4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.268 18.024 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.707 19.730 1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.246 21.318 1.650 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.621 17.497 4.108 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.787 17.484 4.978 1.00 0.00 C ATOM 1120 C LYS A 74 -3.112 16.049 5.371 1.00 0.00 C ATOM 1121 O LYS A 74 -3.297 15.766 6.559 1.00 0.00 O ATOM 1122 CB LYS A 74 -3.987 18.121 4.263 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.655 19.463 3.595 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.931 20.237 3.254 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.588 21.588 2.624 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.791 22.324 2.191 1.00 0.00 N ATOM 0 H LYS A 74 -1.855 17.617 3.122 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.571 18.062 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.360 17.429 3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.792 18.271 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.030 20.060 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.078 19.288 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.544 19.654 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.522 20.390 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.034 22.192 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.932 21.431 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.509 23.233 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.307 21.761 1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.406 22.498 3.012 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.190 15.167 4.369 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.615 13.791 4.524 1.00 0.00 C ATOM 1142 C ALA A 75 -2.763 13.060 5.552 1.00 0.00 C ATOM 1143 O ALA A 75 -3.342 12.439 6.438 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.584 13.079 3.177 1.00 0.00 C ATOM 0 H ALA A 75 -2.951 15.407 3.407 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.640 13.788 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.905 12.045 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.255 13.585 2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.569 13.097 2.779 1.00 0.00 H new ATOM 1150 N MET A 76 -1.425 13.170 5.487 1.00 0.00 N ATOM 1151 CA MET A 76 -0.527 12.507 6.425 1.00 0.00 C ATOM 1152 C MET A 76 -0.982 12.734 7.859 1.00 0.00 C ATOM 1153 O MET A 76 -1.414 11.799 8.523 1.00 0.00 O ATOM 1154 CB MET A 76 0.912 12.985 6.190 1.00 0.00 C ATOM 1155 CG MET A 76 1.851 12.748 7.373 1.00 0.00 C ATOM 1156 SD MET A 76 3.596 12.839 6.931 1.00 0.00 S ATOM 1157 CE MET A 76 3.967 11.078 7.055 1.00 0.00 C ATOM 0 H MET A 76 -0.943 13.724 4.779 1.00 0.00 H new ATOM 0 HA MET A 76 -0.554 11.431 6.253 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.314 12.476 5.314 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.896 14.050 5.960 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.641 13.486 8.147 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.643 11.768 7.802 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.912 10.869 6.553 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.043 10.795 8.105 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.170 10.504 6.582 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.902 13.972 8.341 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.202 14.258 9.741 1.00 0.00 C ATOM 1169 C GLN A 77 -2.681 14.021 10.066 1.00 0.00 C ATOM 1170 O GLN A 77 -3.003 13.721 11.218 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.811 15.706 10.066 1.00 0.00 C ATOM 1172 CG GLN A 77 0.692 15.984 9.885 1.00 0.00 C ATOM 1173 CD GLN A 77 1.036 17.453 10.139 1.00 0.00 C ATOM 1174 OE1 GLN A 77 0.404 18.131 10.945 1.00 0.00 O ATOM 1175 NE2 GLN A 77 2.034 17.982 9.457 1.00 0.00 N ATOM 0 H GLN A 77 -0.634 14.786 7.788 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.620 13.574 10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.378 16.381 9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.094 15.930 11.095 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.262 15.354 10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.992 15.711 8.874 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.554 17.412 8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.285 18.961 9.597 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.562 14.114 9.062 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.972 13.810 9.201 1.00 0.00 C ATOM 1186 C GLY A 78 -5.231 12.321 9.436 1.00 0.00 C ATOM 1187 O GLY A 78 -6.253 11.987 10.037 1.00 0.00 O ATOM 0 H GLY A 78 -3.301 14.408 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.383 14.382 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.499 14.130 8.302 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.342 11.434 8.970 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.576 9.994 8.892 1.00 0.00 C ATOM 1193 C LEU A 79 -3.519 9.180 9.649 1.00 0.00 C ATOM 1194 O LEU A 79 -3.703 7.972 9.815 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.728 9.569 7.417 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.977 10.168 6.725 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.082 9.782 5.246 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.257 9.703 7.430 1.00 0.00 C ATOM 0 H LEU A 79 -3.420 11.708 8.630 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.513 9.770 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.837 9.872 6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.780 8.482 7.364 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.866 11.250 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.977 10.231 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.202 10.142 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.141 8.697 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.125 10.134 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.319 8.615 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.239 10.029 8.470 1.00 0.00 H new ATOM 1210 N THR A 80 -2.468 9.810 10.182 1.00 0.00 N ATOM 1211 CA THR A 80 -1.546 9.213 11.135 1.00 0.00 C ATOM 1212 C THR A 80 -2.363 8.583 12.270 1.00 0.00 C ATOM 1213 O THR A 80 -3.121 9.276 12.960 1.00 0.00 O ATOM 1214 CB THR A 80 -0.538 10.263 11.643 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.369 10.571 10.600 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.267 9.780 12.856 1.00 0.00 C ATOM 0 H THR A 80 -2.234 10.776 9.952 1.00 0.00 H new ATOM 0 HA THR A 80 -0.956 8.430 10.659 1.00 0.00 H new ATOM 0 HB THR A 80 -1.112 11.137 11.952 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.117 10.983 9.855 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.959 10.562 13.168 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.413 9.550 13.676 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.828 8.885 12.587 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.192 7.271 12.464 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.725 6.570 13.623 1.00 0.00 C ATOM 1226 C GLY A 81 -4.190 6.174 13.500 1.00 0.00 C ATOM 1227 O GLY A 81 -4.760 5.709 14.492 1.00 0.00 O ATOM 0 H GLY A 81 -1.679 6.671 11.818 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.132 5.672 13.794 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.605 7.203 14.502 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.803 6.341 12.324 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.090 5.746 12.021 1.00 0.00 C ATOM 1233 C ARG A 82 -5.914 4.269 11.679 1.00 0.00 C ATOM 1234 O ARG A 82 -4.836 3.705 11.877 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.714 6.547 10.873 1.00 0.00 C ATOM 1236 CG ARG A 82 -6.946 8.011 11.306 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.207 8.651 10.716 1.00 0.00 C ATOM 1238 NE ARG A 82 -8.178 10.108 10.885 1.00 0.00 N ATOM 1239 CZ ARG A 82 -9.209 10.954 10.951 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.471 10.554 10.897 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -8.957 12.247 11.077 1.00 0.00 N ATOM 0 H ARG A 82 -4.413 6.894 11.561 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.760 5.785 12.880 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -6.059 6.518 10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.660 6.094 10.576 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.008 8.050 12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.080 8.605 11.014 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.284 8.404 9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.091 8.241 11.204 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.252 10.529 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.688 9.562 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.226 11.238 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.993 12.577 11.121 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.727 12.914 11.130 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.962 3.621 11.173 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.919 2.250 10.681 1.00 0.00 C ATOM 1257 C LYS A 83 -7.414 2.298 9.242 1.00 0.00 C ATOM 1258 O LYS A 83 -8.470 2.881 9.011 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.809 1.317 11.526 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.559 1.343 13.047 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.455 2.354 13.782 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.407 2.186 15.309 1.00 0.00 C ATOM 1263 NZ LYS A 83 -9.122 0.978 15.784 1.00 0.00 N ATOM 0 H LYS A 83 -7.885 4.047 11.093 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.907 1.851 10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.851 1.578 11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.670 0.295 11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.732 0.347 13.456 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.514 1.588 13.234 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.144 3.366 13.522 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.483 2.238 13.440 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.367 2.135 15.630 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.843 3.067 15.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.098 0.947 16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.110 1.010 15.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.660 0.128 15.401 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.716 1.668 8.300 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.139 1.531 6.886 1.00 0.00 C ATOM 1279 C PHE A 84 -7.499 0.064 6.591 1.00 0.00 C ATOM 1280 O PHE A 84 -7.436 -0.410 5.455 1.00 0.00 O ATOM 1281 CB PHE A 84 -6.030 2.030 5.939 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.844 3.520 5.680 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.210 4.517 6.604 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.298 3.907 4.442 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.013 5.875 6.289 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.125 5.255 4.110 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.478 6.237 5.039 1.00 0.00 C ATOM 0 H PHE A 84 -5.818 1.224 8.491 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.023 2.146 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.084 1.650 6.324 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.195 1.554 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.642 4.240 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.006 3.147 3.733 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.273 6.639 7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.723 5.533 3.147 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.339 7.280 4.796 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.776 -0.695 7.648 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.167 -2.093 7.613 1.00 0.00 C ATOM 1299 C ALA A 85 -8.654 -2.459 9.009 1.00 0.00 C ATOM 1300 O ALA A 85 -9.837 -2.729 9.232 1.00 0.00 O ATOM 1301 CB ALA A 85 -6.972 -2.966 7.208 1.00 0.00 C ATOM 0 H ALA A 85 -7.730 -0.328 8.599 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.956 -2.259 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.277 -4.012 7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.622 -2.668 6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.167 -2.839 7.931 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.731 -2.430 9.975 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.998 -2.639 11.404 1.00 0.00 C ATOM 1309 C ASN A 86 -6.799 -2.250 12.257 1.00 0.00 C ATOM 1310 O ASN A 86 -6.951 -1.869 13.419 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.284 -4.123 11.688 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.644 -4.303 12.330 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -9.769 -4.470 13.540 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.685 -4.292 11.523 1.00 0.00 N ATOM 0 H ASN A 86 -6.745 -2.255 9.779 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.857 -2.017 11.654 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.240 -4.690 10.758 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.512 -4.526 12.344 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.624 -4.424 11.900 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.552 -4.151 10.522 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.587 -2.373 11.713 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.371 -2.093 12.469 1.00 0.00 C ATOM 1323 C ARG A 87 -4.005 -0.627 12.350 1.00 0.00 C ATOM 1324 O ARG A 87 -4.527 0.073 11.484 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.246 -2.998 11.967 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.597 -4.467 12.280 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.517 -5.457 11.840 1.00 0.00 C ATOM 1328 NE ARG A 87 -1.343 -5.421 12.730 1.00 0.00 N ATOM 1329 CZ ARG A 87 -0.315 -6.276 12.664 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -0.322 -7.290 11.806 1.00 0.00 N ATOM 1331 NH2 ARG A 87 0.736 -6.114 13.463 1.00 0.00 N ATOM 0 H ARG A 87 -5.424 -2.665 10.749 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.535 -2.302 13.526 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.108 -2.865 10.894 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.305 -2.727 12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.761 -4.573 13.352 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.535 -4.722 11.787 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.932 -6.465 11.827 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.207 -5.227 10.821 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.312 -4.695 13.445 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.119 -7.426 11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.470 -7.932 11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.758 -5.339 14.125 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.520 -6.765 13.413 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.093 -0.175 13.198 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.660 1.212 13.213 1.00 0.00 C ATOM 1347 C VAL A 88 -1.973 1.547 11.893 1.00 0.00 C ATOM 1348 O VAL A 88 -1.126 0.788 11.430 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.768 1.443 14.443 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -0.426 0.705 14.351 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -1.529 2.934 14.685 1.00 0.00 C ATOM 0 H VAL A 88 -2.633 -0.761 13.895 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.509 1.890 13.300 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.312 1.028 15.291 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.161 0.905 15.247 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.605 -0.367 14.267 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.120 1.052 13.474 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.895 3.063 15.562 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.038 3.370 13.815 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.484 3.433 14.851 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.286 2.693 11.306 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.622 3.195 10.117 1.00 0.00 C ATOM 1363 C VAL A 89 -0.498 4.123 10.573 1.00 0.00 C ATOM 1364 O VAL A 89 -0.721 5.190 11.152 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.672 3.819 9.179 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -2.068 4.607 8.011 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.540 2.679 8.627 1.00 0.00 C ATOM 0 H VAL A 89 -3.022 3.309 11.651 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.150 2.414 9.521 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.251 4.537 9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.869 5.016 7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.457 5.422 8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.448 3.944 7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.296 3.089 7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.912 1.976 8.079 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.029 2.162 9.452 1.00 0.00 H new ATOM 1377 N VAL A 90 0.734 3.681 10.348 1.00 0.00 N ATOM 1378 CA VAL A 90 1.911 4.536 10.268 1.00 0.00 C ATOM 1379 C VAL A 90 1.958 5.109 8.852 1.00 0.00 C ATOM 1380 O VAL A 90 1.638 4.398 7.892 1.00 0.00 O ATOM 1381 CB VAL A 90 3.195 3.731 10.577 1.00 0.00 C ATOM 1382 CG1 VAL A 90 3.516 3.804 12.069 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.115 2.252 10.168 1.00 0.00 C ATOM 0 H VAL A 90 0.947 2.693 10.213 1.00 0.00 H new ATOM 0 HA VAL A 90 1.853 5.338 11.004 1.00 0.00 H new ATOM 0 HB VAL A 90 3.981 4.192 9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.422 3.234 12.275 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.669 4.844 12.358 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.687 3.387 12.640 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.052 1.755 10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.296 1.771 10.702 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.940 2.180 9.095 1.00 0.00 H new ATOM 1393 N THR A 91 2.374 6.367 8.728 1.00 0.00 N ATOM 1394 CA THR A 91 2.482 7.074 7.464 1.00 0.00 C ATOM 1395 C THR A 91 3.942 7.491 7.275 1.00 0.00 C ATOM 1396 O THR A 91 4.684 7.676 8.249 1.00 0.00 O ATOM 1397 CB THR A 91 1.493 8.256 7.462 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.798 9.108 8.549 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.030 7.820 7.619 1.00 0.00 C ATOM 0 H THR A 91 2.652 6.934 9.529 1.00 0.00 H new ATOM 0 HA THR A 91 2.211 6.445 6.616 1.00 0.00 H new ATOM 0 HB THR A 91 1.599 8.752 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.968 9.386 8.989 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.615 8.699 7.610 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.244 7.161 6.795 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.092 7.290 8.564 1.00 0.00 H new ATOM 1407 N LYS A 92 4.397 7.611 6.027 1.00 0.00 N ATOM 1408 CA LYS A 92 5.755 8.040 5.706 1.00 0.00 C ATOM 1409 C LYS A 92 5.721 8.758 4.371 1.00 0.00 C ATOM 1410 O LYS A 92 5.006 8.287 3.496 1.00 0.00 O ATOM 1411 CB LYS A 92 6.660 6.796 5.579 1.00 0.00 C ATOM 1412 CG LYS A 92 7.935 6.977 6.392 1.00 0.00 C ATOM 1413 CD LYS A 92 9.001 5.935 6.046 1.00 0.00 C ATOM 1414 CE LYS A 92 10.381 6.512 6.370 1.00 0.00 C ATOM 1415 NZ LYS A 92 11.413 5.462 6.432 1.00 0.00 N ATOM 0 H LYS A 92 3.827 7.411 5.205 1.00 0.00 H new ATOM 0 HA LYS A 92 6.140 8.697 6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.124 5.912 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.911 6.627 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.336 7.975 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.698 6.911 7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.832 5.020 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.941 5.671 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.655 7.246 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.340 7.038 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.333 5.893 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.165 4.775 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.470 4.977 5.514 1.00 0.00 H new ATOM 1429 N TYR A 93 6.516 9.803 4.151 1.00 0.00 N ATOM 1430 CA TYR A 93 6.786 10.219 2.775 1.00 0.00 C ATOM 1431 C TYR A 93 7.590 9.119 2.094 1.00 0.00 C ATOM 1432 O TYR A 93 8.498 8.554 2.716 1.00 0.00 O ATOM 1433 CB TYR A 93 7.537 11.548 2.735 1.00 0.00 C ATOM 1434 CG TYR A 93 6.683 12.712 3.179 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.639 13.167 2.352 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.925 13.327 4.420 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.876 14.281 2.740 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.156 14.428 4.822 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.133 14.909 3.978 1.00 0.00 C ATOM 1440 OH TYR A 93 4.411 15.991 4.368 1.00 0.00 O ATOM 0 H TYR A 93 6.970 10.359 4.876 1.00 0.00 H new ATOM 0 HA TYR A 93 5.844 10.373 2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.417 11.483 3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.893 11.729 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.425 12.661 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.705 12.950 5.065 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.096 14.655 2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.346 14.905 5.772 1.00 0.00 H new ATOM 0 HH TYR A 93 4.723 16.293 5.247 1.00 0.00 H new ATOM 1450 N CYS A 94 7.248 8.819 0.841 1.00 0.00 N ATOM 1451 CA CYS A 94 8.032 7.966 -0.042 1.00 0.00 C ATOM 1452 C CYS A 94 8.660 8.859 -1.118 1.00 0.00 C ATOM 1453 O CYS A 94 8.726 10.081 -0.947 1.00 0.00 O ATOM 1454 CB CYS A 94 7.140 6.843 -0.598 1.00 0.00 C ATOM 1455 SG CYS A 94 7.900 5.231 -0.285 1.00 0.00 S ATOM 0 H CYS A 94 6.397 9.173 0.405 1.00 0.00 H new ATOM 0 HA CYS A 94 8.845 7.463 0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.155 6.886 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.992 6.982 -1.669 1.00 0.00 H new ATOM 0 HG CYS A 94 7.152 4.294 -0.788 1.00 0.00 H new ATOM 1461 N ASP A 95 9.154 8.276 -2.208 1.00 0.00 N ATOM 1462 CA ASP A 95 9.582 9.038 -3.377 1.00 0.00 C ATOM 1463 C ASP A 95 8.682 8.635 -4.554 1.00 0.00 C ATOM 1464 O ASP A 95 8.382 7.446 -4.686 1.00 0.00 O ATOM 1465 CB ASP A 95 11.052 8.728 -3.687 1.00 0.00 C ATOM 1466 CG ASP A 95 11.988 9.116 -2.548 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.368 10.307 -2.452 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.325 8.248 -1.715 1.00 0.00 O ATOM 0 H ASP A 95 9.268 7.267 -2.305 1.00 0.00 H new ATOM 0 HA ASP A 95 9.496 10.109 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.159 7.663 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.348 9.259 -4.592 1.00 0.00 H new ATOM 1473 N PRO A 96 8.307 9.567 -5.448 1.00 0.00 N ATOM 1474 CA PRO A 96 7.429 9.305 -6.586 1.00 0.00 C ATOM 1475 C PRO A 96 8.171 8.627 -7.737 1.00 0.00 C ATOM 1476 O PRO A 96 7.581 7.900 -8.528 1.00 0.00 O ATOM 1477 CB PRO A 96 6.899 10.674 -7.025 1.00 0.00 C ATOM 1478 CG PRO A 96 7.962 11.654 -6.538 1.00 0.00 C ATOM 1479 CD PRO A 96 8.565 10.983 -5.314 1.00 0.00 C ATOM 0 HA PRO A 96 6.627 8.623 -6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.774 10.726 -8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.926 10.887 -6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.716 11.835 -7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.526 12.621 -6.286 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.636 11.177 -5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.119 11.373 -4.399 1.00 0.00 H new ATOM 1487 N ASP A 97 9.478 8.855 -7.861 1.00 0.00 N ATOM 1488 CA ASP A 97 10.300 8.192 -8.878 1.00 0.00 C ATOM 1489 C ASP A 97 10.155 6.678 -8.798 1.00 0.00 C ATOM 1490 O ASP A 97 9.948 5.992 -9.802 1.00 0.00 O ATOM 1491 CB ASP A 97 11.773 8.537 -8.675 1.00 0.00 C ATOM 1492 CG ASP A 97 12.461 8.734 -10.017 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.502 7.797 -10.839 1.00 0.00 O ATOM 1494 OD2 ASP A 97 12.967 9.854 -10.265 1.00 0.00 O ATOM 0 H ASP A 97 9.996 9.500 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 97 9.958 8.542 -9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.862 9.444 -8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.267 7.740 -8.120 1.00 0.00 H new ATOM 1499 N SER A 98 10.250 6.177 -7.571 1.00 0.00 N ATOM 1500 CA SER A 98 10.203 4.779 -7.223 1.00 0.00 C ATOM 1501 C SER A 98 8.751 4.283 -7.092 1.00 0.00 C ATOM 1502 O SER A 98 8.535 3.111 -6.782 1.00 0.00 O ATOM 1503 CB SER A 98 11.032 4.541 -5.937 1.00 0.00 C ATOM 1504 OG SER A 98 11.605 5.741 -5.424 1.00 0.00 O ATOM 0 H SER A 98 10.368 6.777 -6.754 1.00 0.00 H new ATOM 0 HA SER A 98 10.649 4.191 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.394 4.093 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.826 3.825 -6.148 1.00 0.00 H new ATOM 0 HG SER A 98 12.116 5.539 -4.613 1.00 0.00 H new ATOM 1510 N TYR A 99 7.761 5.170 -7.269 1.00 0.00 N ATOM 1511 CA TYR A 99 6.329 4.888 -7.236 1.00 0.00 C ATOM 1512 C TYR A 99 5.842 4.594 -8.650 1.00 0.00 C ATOM 1513 O TYR A 99 5.221 3.562 -8.883 1.00 0.00 O ATOM 1514 CB TYR A 99 5.576 6.098 -6.656 1.00 0.00 C ATOM 1515 CG TYR A 99 4.109 5.850 -6.382 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.172 5.826 -7.431 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.670 5.694 -5.061 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.822 5.535 -7.183 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.311 5.473 -4.804 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.387 5.337 -5.859 1.00 0.00 C ATOM 1521 OH TYR A 99 0.079 5.082 -5.590 1.00 0.00 O ATOM 0 H TYR A 99 7.954 6.155 -7.448 1.00 0.00 H new ATOM 0 HA TYR A 99 6.139 4.021 -6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.060 6.401 -5.727 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.667 6.934 -7.350 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.496 6.034 -8.440 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.376 5.744 -4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.122 5.463 -8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.966 5.406 -3.783 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.012 4.788 -4.660 1.00 0.00 H new ATOM 1531 N HIS A 100 6.140 5.482 -9.607 1.00 0.00 N ATOM 1532 CA HIS A 100 5.695 5.335 -10.992 1.00 0.00 C ATOM 1533 C HIS A 100 6.271 4.076 -11.637 1.00 0.00 C ATOM 1534 O HIS A 100 5.679 3.516 -12.562 1.00 0.00 O ATOM 1535 CB HIS A 100 6.177 6.517 -11.836 1.00 0.00 C ATOM 1536 CG HIS A 100 5.752 7.888 -11.391 1.00 0.00 C ATOM 1537 ND1 HIS A 100 6.625 8.899 -11.067 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.476 8.380 -11.299 1.00 0.00 C ATOM 1539 CE1 HIS A 100 5.894 9.993 -10.804 1.00 0.00 C ATOM 1540 NE2 HIS A 100 4.593 9.743 -11.001 1.00 0.00 N ATOM 0 H HIS A 100 6.696 6.321 -9.440 1.00 0.00 H new ATOM 0 HA HIS A 100 4.607 5.282 -10.963 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.266 6.492 -11.864 1.00 0.00 H new ATOM 0 HB3 HIS A 100 5.828 6.369 -12.858 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.559 7.825 -11.431 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.297 10.941 -10.479 1.00 0.00 H new ATOM 0 HE2 HIS A 100 3.831 10.419 -10.945 1.00 0.00 H new ATOM 1548 N ARG A 101 7.465 3.682 -11.192 1.00 0.00 N ATOM 1549 CA ARG A 101 8.181 2.484 -11.586 1.00 0.00 C ATOM 1550 C ARG A 101 8.083 1.466 -10.460 1.00 0.00 C ATOM 1551 O ARG A 101 7.411 1.698 -9.463 1.00 0.00 O ATOM 1552 CB ARG A 101 9.628 2.871 -11.924 1.00 0.00 C ATOM 1553 CG ARG A 101 9.680 3.494 -13.322 1.00 0.00 C ATOM 1554 CD ARG A 101 11.120 3.733 -13.776 1.00 0.00 C ATOM 1555 NE ARG A 101 11.681 4.993 -13.259 1.00 0.00 N ATOM 1556 CZ ARG A 101 12.975 5.323 -13.315 1.00 0.00 C ATOM 1557 NH1 ARG A 101 13.880 4.397 -13.614 1.00 0.00 N ATOM 1558 NH2 ARG A 101 13.369 6.567 -13.096 1.00 0.00 N ATOM 0 H ARG A 101 7.983 4.230 -10.505 1.00 0.00 H new ATOM 0 HA ARG A 101 7.749 2.025 -12.475 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.008 3.577 -11.186 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.270 1.991 -11.883 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.178 2.838 -14.033 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.136 4.439 -13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.743 2.901 -13.446 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.155 3.745 -14.865 1.00 0.00 H new ATOM 0 HE ARG A 101 11.039 5.659 -12.829 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.586 3.438 -13.800 1.00 0.00 H new ATOM 0 HH12 ARG A 101 14.868 4.645 -13.658 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.682 7.289 -12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.360 6.804 -13.142 1.00 0.00 H new ATOM 1572 N ARG A 102 8.717 0.311 -10.634 1.00 0.00 N ATOM 1573 CA ARG A 102 8.749 -0.791 -9.688 1.00 0.00 C ATOM 1574 C ARG A 102 10.181 -0.818 -9.217 1.00 0.00 C ATOM 1575 O ARG A 102 11.011 -1.579 -9.717 1.00 0.00 O ATOM 1576 CB ARG A 102 8.254 -2.096 -10.347 1.00 0.00 C ATOM 1577 CG ARG A 102 6.726 -2.271 -10.473 1.00 0.00 C ATOM 1578 CD ARG A 102 5.950 -0.952 -10.559 1.00 0.00 C ATOM 1579 NE ARG A 102 4.495 -1.062 -10.453 1.00 0.00 N ATOM 1580 CZ ARG A 102 3.674 -0.007 -10.335 1.00 0.00 C ATOM 1581 NH1 ARG A 102 4.150 1.233 -10.221 1.00 0.00 N ATOM 1582 NH2 ARG A 102 2.363 -0.204 -10.340 1.00 0.00 N ATOM 0 H ARG A 102 9.248 0.112 -11.482 1.00 0.00 H new ATOM 0 HA ARG A 102 8.076 -0.675 -8.839 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.687 -2.159 -11.345 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.647 -2.937 -9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.511 -2.865 -11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.364 -2.838 -9.615 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.304 -0.291 -9.768 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.191 -0.471 -11.507 1.00 0.00 H new ATOM 0 HE ARG A 102 4.081 -1.994 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.157 1.395 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.507 2.020 -10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.990 -1.149 -10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.728 0.589 -10.251 1.00 0.00 H new ATOM 1596 N ASP A 103 10.487 0.125 -8.338 1.00 0.00 N ATOM 1597 CA ASP A 103 11.724 0.177 -7.573 1.00 0.00 C ATOM 1598 C ASP A 103 11.313 0.210 -6.107 1.00 0.00 C ATOM 1599 O ASP A 103 11.372 1.245 -5.445 1.00 0.00 O ATOM 1600 CB ASP A 103 12.611 1.358 -8.003 1.00 0.00 C ATOM 1601 CG ASP A 103 14.034 1.165 -7.479 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.338 1.425 -6.293 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.855 0.616 -8.248 1.00 0.00 O ATOM 0 H ASP A 103 9.859 0.902 -8.131 1.00 0.00 H new ATOM 0 HA ASP A 103 12.352 -0.695 -7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.623 1.437 -9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.198 2.291 -7.620 1.00 0.00 H new ATOM 1608 N PHE A 104 10.768 -0.909 -5.624 1.00 0.00 N ATOM 1609 CA PHE A 104 10.279 -1.034 -4.253 1.00 0.00 C ATOM 1610 C PHE A 104 11.333 -1.704 -3.381 1.00 0.00 C ATOM 1611 O PHE A 104 12.146 -2.490 -3.879 1.00 0.00 O ATOM 1612 CB PHE A 104 8.968 -1.829 -4.230 1.00 0.00 C ATOM 1613 CG PHE A 104 7.917 -1.353 -5.213 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.636 0.021 -5.358 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.251 -2.291 -6.023 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.710 0.453 -6.321 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.313 -1.854 -6.970 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.050 -0.486 -7.122 1.00 0.00 C ATOM 0 H PHE A 104 10.654 -1.758 -6.178 1.00 0.00 H new ATOM 0 HA PHE A 104 10.083 -0.039 -3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.191 -2.876 -4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.551 -1.785 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.134 0.743 -4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.461 -3.345 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.508 1.507 -6.443 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.792 -2.574 -7.584 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.335 -0.155 -7.860 1.00 0.00 H new ATOM 1628 N TRP A 105 11.294 -1.404 -2.085 1.00 0.00 N ATOM 1629 CA TRP A 105 12.171 -1.900 -1.039 1.00 0.00 C ATOM 1630 C TRP A 105 11.503 -1.550 0.292 1.00 0.00 C ATOM 1631 O TRP A 105 12.143 -1.729 1.351 1.00 0.00 O ATOM 1632 CB TRP A 105 13.572 -1.267 -1.188 1.00 0.00 C ATOM 1633 CG TRP A 105 14.710 -2.215 -1.452 1.00 0.00 C ATOM 1634 CD1 TRP A 105 15.105 -3.217 -0.632 1.00 0.00 C ATOM 1635 CD2 TRP A 105 15.665 -2.218 -2.562 1.00 0.00 C ATOM 1636 NE1 TRP A 105 16.259 -3.795 -1.123 1.00 0.00 N ATOM 1637 CE2 TRP A 105 16.682 -3.177 -2.277 1.00 0.00 C ATOM 1638 CE3 TRP A 105 15.808 -1.482 -3.761 1.00 0.00 C ATOM 1639 CZ2 TRP A 105 17.811 -3.343 -3.093 1.00 0.00 C ATOM 1640 CZ3 TRP A 105 16.934 -1.648 -4.592 1.00 0.00 C ATOM 1641 CH2 TRP A 105 17.941 -2.570 -4.257 1.00 0.00 C ATOM 0 H TRP A 105 10.595 -0.760 -1.716 1.00 0.00 H new ATOM 0 HA TRP A 105 12.318 -2.978 -1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 105 13.535 -0.543 -2.002 1.00 0.00 H new ATOM 0 HB3 TRP A 105 13.795 -0.711 -0.277 1.00 0.00 H new ATOM 0 HD1 TRP A 105 14.594 -3.519 0.270 1.00 0.00 H new ATOM 0 HE1 TRP A 105 16.738 -4.582 -0.685 1.00 0.00 H new ATOM 0 HE3 TRP A 105 15.039 -0.779 -4.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 18.574 -4.060 -2.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 17.024 -1.062 -5.494 1.00 0.00 H new ATOM 0 HH2 TRP A 105 18.808 -2.683 -4.891 1.00 0.00 H new TER 1652 TRP A 105