USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 80 THR OG1 : rot 14:sc= 1.19 USER MOD Set 1.2: A 91 THR OG1 : rot 39:sc= 0.016 USER MOD Set 2.1: A 9 CYS SG : rot -130:sc= -0.344 USER MOD Set 2.2: A 94 CYS SG : rot -174:sc= 1.58 USER MOD Single : A 3 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.054) USER MOD Single : A 5 THR OG1 : rot -130:sc= 1.32 USER MOD Single : A 11 MET CE :methyl 177:sc= 0 (180deg=-0.0191) USER MOD Single : A 12 ASN : amide:sc= 0.198 X(o=0.2,f=-0.26) USER MOD Single : A 13 MET CE :methyl -151:sc= -3.94 (180deg=-8.72!) USER MOD Single : A 25 TYR OH : rot -177:sc= 0.309 USER MOD Single : A 36 CYS SG : rot -37:sc= -1.05 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0239 (180deg=-0.264) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -165:sc=-0.00106 (180deg=-0.0747) USER MOD Single : A 44 SER OG : rot 15:sc= 1.17 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -118:sc= -0.0316 (180deg=-0.688) USER MOD Single : A 67 THR OG1 : rot -29:sc= 0.0493 USER MOD Single : A 68 SER OG : rot 5:sc= 1.19 USER MOD Single : A 72 CYS SG : rot -91:sc= 0.159 USER MOD Single : A 73 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.0093) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -142:sc= -0.543 (180deg=-2.25) USER MOD Single : A 77 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.12) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=0.5) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.178 USER MOD Single : A 98 SER OG : rot -152:sc= 0.835 USER MOD Single : A 99 TYR OH : rot 167:sc= 0.292 USER MOD Single : A 100 HIS : no HD1:sc= -0.0972 X(o=-0.097,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 11.880 14.342 2.525 1.00 0.00 N ATOM 16 CA HIS A 3 11.119 15.581 2.423 1.00 0.00 C ATOM 17 C HIS A 3 9.683 15.198 2.009 1.00 0.00 C ATOM 18 O HIS A 3 9.492 14.104 1.476 1.00 0.00 O ATOM 19 CB HIS A 3 11.797 16.471 1.362 1.00 0.00 C ATOM 20 CG HIS A 3 12.047 15.781 0.036 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.261 15.354 -0.462 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.091 15.421 -0.870 1.00 0.00 C ATOM 23 CE1 HIS A 3 13.033 14.777 -1.655 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.717 14.778 -1.939 1.00 0.00 N ATOM 0 HA HIS A 3 11.086 16.133 3.362 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.174 17.349 1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.748 16.827 1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.031 15.603 -0.775 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.800 14.369 -2.297 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.268 14.388 -2.768 1.00 0.00 H new ATOM 32 N PRO A 4 8.666 16.055 2.196 1.00 0.00 N ATOM 33 CA PRO A 4 7.335 15.819 1.650 1.00 0.00 C ATOM 34 C PRO A 4 7.331 15.819 0.125 1.00 0.00 C ATOM 35 O PRO A 4 7.996 16.656 -0.489 1.00 0.00 O ATOM 36 CB PRO A 4 6.430 16.913 2.216 1.00 0.00 C ATOM 37 CG PRO A 4 7.397 17.998 2.672 1.00 0.00 C ATOM 38 CD PRO A 4 8.688 17.257 2.998 1.00 0.00 C ATOM 0 HA PRO A 4 6.977 14.831 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.738 17.287 1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.827 16.542 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.554 18.742 1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.014 18.528 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.559 17.868 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.744 17.017 4.060 1.00 0.00 H new ATOM 46 N THR A 5 6.546 14.921 -0.465 1.00 0.00 N ATOM 47 CA THR A 5 6.332 14.767 -1.899 1.00 0.00 C ATOM 48 C THR A 5 4.830 14.629 -2.144 1.00 0.00 C ATOM 49 O THR A 5 4.019 14.668 -1.211 1.00 0.00 O ATOM 50 CB THR A 5 7.085 13.526 -2.419 1.00 0.00 C ATOM 51 OG1 THR A 5 6.625 12.394 -1.713 1.00 0.00 O ATOM 52 CG2 THR A 5 8.593 13.635 -2.229 1.00 0.00 C ATOM 0 H THR A 5 6.012 14.243 0.078 1.00 0.00 H new ATOM 0 HA THR A 5 6.715 15.636 -2.434 1.00 0.00 H new ATOM 0 HB THR A 5 6.890 13.444 -3.488 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.391 11.889 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.074 12.735 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.966 14.504 -2.770 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.819 13.744 -1.168 1.00 0.00 H new ATOM 60 N GLU A 6 4.451 14.454 -3.403 1.00 0.00 N ATOM 61 CA GLU A 6 3.095 14.127 -3.800 1.00 0.00 C ATOM 62 C GLU A 6 2.643 12.737 -3.352 1.00 0.00 C ATOM 63 O GLU A 6 1.454 12.458 -3.489 1.00 0.00 O ATOM 64 CB GLU A 6 2.963 14.343 -5.327 1.00 0.00 C ATOM 65 CG GLU A 6 2.180 15.624 -5.597 1.00 0.00 C ATOM 66 CD GLU A 6 2.656 16.463 -6.784 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.733 15.943 -7.923 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.886 17.683 -6.596 1.00 0.00 O ATOM 0 H GLU A 6 5.094 14.538 -4.190 1.00 0.00 H new ATOM 0 HA GLU A 6 2.411 14.799 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.951 14.406 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.456 13.492 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.135 15.360 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.216 16.244 -4.701 1.00 0.00 H new ATOM 75 N VAL A 7 3.505 11.878 -2.787 1.00 0.00 N ATOM 76 CA VAL A 7 3.126 10.505 -2.503 1.00 0.00 C ATOM 77 C VAL A 7 3.295 10.189 -1.011 1.00 0.00 C ATOM 78 O VAL A 7 4.183 10.711 -0.328 1.00 0.00 O ATOM 79 CB VAL A 7 3.882 9.554 -3.454 1.00 0.00 C ATOM 80 CG1 VAL A 7 3.908 10.040 -4.917 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.280 9.192 -3.011 1.00 0.00 C ATOM 0 H VAL A 7 4.461 12.117 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 7 2.065 10.353 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 7 3.286 8.643 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.456 9.323 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.887 10.129 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.399 11.012 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.731 8.521 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.882 10.097 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.237 8.696 -2.041 1.00 0.00 H new ATOM 91 N LEU A 8 2.450 9.284 -0.528 1.00 0.00 N ATOM 92 CA LEU A 8 2.238 8.918 0.861 1.00 0.00 C ATOM 93 C LEU A 8 2.446 7.414 0.968 1.00 0.00 C ATOM 94 O LEU A 8 1.750 6.658 0.289 1.00 0.00 O ATOM 95 CB LEU A 8 0.804 9.340 1.233 1.00 0.00 C ATOM 96 CG LEU A 8 0.287 8.887 2.610 1.00 0.00 C ATOM 97 CD1 LEU A 8 1.290 9.160 3.720 1.00 0.00 C ATOM 98 CD2 LEU A 8 -0.985 9.665 2.958 1.00 0.00 C ATOM 0 H LEU A 8 1.849 8.746 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 8 2.928 9.410 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.747 10.428 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.127 8.954 0.471 1.00 0.00 H new ATOM 0 HG LEU A 8 0.107 7.814 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.880 8.823 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.216 8.623 3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.494 10.230 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.352 9.345 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.763 10.732 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.747 9.473 2.203 1.00 0.00 H new ATOM 110 N CYS A 9 3.415 6.964 1.760 1.00 0.00 N ATOM 111 CA CYS A 9 3.666 5.554 1.980 1.00 0.00 C ATOM 112 C CYS A 9 2.989 5.106 3.264 1.00 0.00 C ATOM 113 O CYS A 9 2.910 5.860 4.239 1.00 0.00 O ATOM 114 CB CYS A 9 5.162 5.245 2.023 1.00 0.00 C ATOM 115 SG CYS A 9 6.219 6.518 2.752 1.00 0.00 S ATOM 0 H CYS A 9 4.051 7.578 2.269 1.00 0.00 H new ATOM 0 HA CYS A 9 3.247 5.000 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.305 4.320 2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.503 5.058 1.005 1.00 0.00 H new ATOM 0 HG CYS A 9 7.211 6.769 1.951 1.00 0.00 H new ATOM 121 N LEU A 10 2.519 3.861 3.254 1.00 0.00 N ATOM 122 CA LEU A 10 1.623 3.300 4.237 1.00 0.00 C ATOM 123 C LEU A 10 2.084 1.900 4.610 1.00 0.00 C ATOM 124 O LEU A 10 2.145 0.994 3.769 1.00 0.00 O ATOM 125 CB LEU A 10 0.215 3.223 3.657 1.00 0.00 C ATOM 126 CG LEU A 10 -0.431 4.553 3.264 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.783 4.206 2.664 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.644 5.479 4.462 1.00 0.00 C ATOM 0 H LEU A 10 2.769 3.194 2.524 1.00 0.00 H new ATOM 0 HA LEU A 10 1.623 3.933 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.243 2.583 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.429 2.732 4.387 1.00 0.00 H new ATOM 0 HG LEU A 10 0.222 5.082 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.293 5.121 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.641 3.567 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.386 3.681 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.105 6.408 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.296 4.992 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.317 5.698 4.928 1.00 0.00 H new ATOM 140 N MET A 11 2.379 1.701 5.889 1.00 0.00 N ATOM 141 CA MET A 11 2.732 0.398 6.436 1.00 0.00 C ATOM 142 C MET A 11 1.552 -0.116 7.262 1.00 0.00 C ATOM 143 O MET A 11 0.784 0.687 7.806 1.00 0.00 O ATOM 144 CB MET A 11 4.001 0.514 7.296 1.00 0.00 C ATOM 145 CG MET A 11 5.299 0.737 6.502 1.00 0.00 C ATOM 146 SD MET A 11 5.488 2.285 5.563 1.00 0.00 S ATOM 147 CE MET A 11 5.428 3.536 6.874 1.00 0.00 C ATOM 0 H MET A 11 2.380 2.449 6.583 1.00 0.00 H new ATOM 0 HA MET A 11 2.942 -0.307 5.631 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.874 1.339 7.997 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.106 -0.395 7.889 1.00 0.00 H new ATOM 0 HG2 MET A 11 6.132 0.670 7.202 1.00 0.00 H new ATOM 0 HG3 MET A 11 5.405 -0.091 5.801 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.586 4.524 6.442 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.454 3.505 7.362 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.208 3.332 7.607 1.00 0.00 H new ATOM 157 N ASN A 12 1.468 -1.441 7.441 1.00 0.00 N ATOM 158 CA ASN A 12 0.564 -2.166 8.346 1.00 0.00 C ATOM 159 C ASN A 12 -0.886 -2.238 7.843 1.00 0.00 C ATOM 160 O ASN A 12 -1.829 -2.379 8.630 1.00 0.00 O ATOM 161 CB ASN A 12 0.615 -1.607 9.773 1.00 0.00 C ATOM 162 CG ASN A 12 1.998 -1.205 10.266 1.00 0.00 C ATOM 163 OD1 ASN A 12 3.020 -1.832 9.979 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.065 -0.129 11.024 1.00 0.00 N ATOM 0 H ASN A 12 2.071 -2.079 6.922 1.00 0.00 H new ATOM 0 HA ASN A 12 0.937 -3.190 8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.039 -0.737 9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.208 -2.355 10.453 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.967 0.190 11.378 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.215 0.384 11.257 1.00 0.00 H new ATOM 171 N MET A 13 -1.100 -2.111 6.533 1.00 0.00 N ATOM 172 CA MET A 13 -2.352 -2.514 5.903 1.00 0.00 C ATOM 173 C MET A 13 -2.288 -4.035 5.788 1.00 0.00 C ATOM 174 O MET A 13 -2.781 -4.745 6.668 1.00 0.00 O ATOM 175 CB MET A 13 -2.541 -1.822 4.534 1.00 0.00 C ATOM 176 CG MET A 13 -3.482 -0.628 4.537 1.00 0.00 C ATOM 177 SD MET A 13 -2.640 0.968 4.386 1.00 0.00 S ATOM 178 CE MET A 13 -1.518 0.867 5.786 1.00 0.00 C ATOM 0 H MET A 13 -0.413 -1.728 5.884 1.00 0.00 H new ATOM 0 HA MET A 13 -3.218 -2.211 6.492 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.566 -1.495 4.172 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.915 -2.557 3.822 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.190 -0.734 3.715 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.061 -0.636 5.460 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.312 1.870 6.160 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.975 0.272 6.576 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.586 0.398 5.472 1.00 0.00 H new ATOM 188 N VAL A 14 -1.604 -4.507 4.747 1.00 0.00 N ATOM 189 CA VAL A 14 -1.725 -5.842 4.182 1.00 0.00 C ATOM 190 C VAL A 14 -0.792 -6.840 4.877 1.00 0.00 C ATOM 191 O VAL A 14 0.055 -6.448 5.696 1.00 0.00 O ATOM 192 CB VAL A 14 -1.490 -5.746 2.652 1.00 0.00 C ATOM 193 CG1 VAL A 14 -2.663 -5.043 1.959 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.211 -4.968 2.291 1.00 0.00 C ATOM 0 H VAL A 14 -0.917 -3.937 4.253 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.728 -6.233 4.354 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.392 -6.776 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.473 -4.989 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.580 -5.604 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.771 -4.035 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.100 -4.934 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.281 -3.952 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.654 -5.466 2.729 1.00 0.00 H new ATOM 204 N LEU A 15 -0.932 -8.125 4.535 1.00 0.00 N ATOM 205 CA LEU A 15 -0.068 -9.218 4.977 1.00 0.00 C ATOM 206 C LEU A 15 0.455 -9.986 3.764 1.00 0.00 C ATOM 207 O LEU A 15 -0.199 -10.005 2.715 1.00 0.00 O ATOM 208 CB LEU A 15 -0.842 -10.188 5.892 1.00 0.00 C ATOM 209 CG LEU A 15 -1.188 -9.641 7.282 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.947 -10.711 8.074 1.00 0.00 C ATOM 211 CD2 LEU A 15 0.046 -9.235 8.092 1.00 0.00 C ATOM 0 H LEU A 15 -1.680 -8.442 3.919 1.00 0.00 H new ATOM 0 HA LEU A 15 0.766 -8.792 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.767 -10.474 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.252 -11.096 6.013 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.794 -8.749 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.194 -10.325 9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.864 -10.972 7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.323 -11.599 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.266 -8.856 9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.692 -10.102 8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.592 -8.457 7.558 1.00 0.00 H new ATOM 223 N PRO A 16 1.578 -10.711 3.908 1.00 0.00 N ATOM 224 CA PRO A 16 2.183 -11.432 2.796 1.00 0.00 C ATOM 225 C PRO A 16 1.408 -12.697 2.406 1.00 0.00 C ATOM 226 O PRO A 16 1.812 -13.383 1.473 1.00 0.00 O ATOM 227 CB PRO A 16 3.611 -11.759 3.254 1.00 0.00 C ATOM 228 CG PRO A 16 3.487 -11.849 4.773 1.00 0.00 C ATOM 229 CD PRO A 16 2.430 -10.795 5.092 1.00 0.00 C ATOM 0 HA PRO A 16 2.172 -10.824 1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.966 -12.696 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.316 -10.984 2.954 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.176 -12.843 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.434 -11.635 5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.850 -11.077 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.892 -9.832 5.310 1.00 0.00 H new ATOM 237 N GLU A 17 0.276 -12.986 3.047 1.00 0.00 N ATOM 238 CA GLU A 17 -0.604 -14.117 2.766 1.00 0.00 C ATOM 239 C GLU A 17 -2.060 -13.660 2.586 1.00 0.00 C ATOM 240 O GLU A 17 -2.972 -14.475 2.692 1.00 0.00 O ATOM 241 CB GLU A 17 -0.415 -15.200 3.842 1.00 0.00 C ATOM 242 CG GLU A 17 -0.550 -14.686 5.287 1.00 0.00 C ATOM 243 CD GLU A 17 -0.264 -15.769 6.332 1.00 0.00 C ATOM 244 OE1 GLU A 17 0.282 -16.845 6.005 1.00 0.00 O ATOM 245 OE2 GLU A 17 -0.461 -15.500 7.540 1.00 0.00 O ATOM 0 H GLU A 17 -0.068 -12.408 3.814 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.331 -14.570 1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.149 -15.990 3.679 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.570 -15.650 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.137 -13.853 5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.558 -14.300 5.438 1.00 0.00 H new ATOM 252 N GLU A 18 -2.291 -12.368 2.324 1.00 0.00 N ATOM 253 CA GLU A 18 -3.621 -11.772 2.195 1.00 0.00 C ATOM 254 C GLU A 18 -3.679 -10.793 1.005 1.00 0.00 C ATOM 255 O GLU A 18 -4.353 -9.762 1.067 1.00 0.00 O ATOM 256 CB GLU A 18 -3.982 -11.071 3.512 1.00 0.00 C ATOM 257 CG GLU A 18 -4.038 -11.938 4.776 1.00 0.00 C ATOM 258 CD GLU A 18 -5.269 -12.834 4.889 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.854 -13.256 3.871 1.00 0.00 O ATOM 260 OE2 GLU A 18 -5.662 -13.091 6.058 1.00 0.00 O ATOM 0 H GLU A 18 -1.537 -11.693 2.193 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.351 -12.557 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.257 -10.275 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.954 -10.595 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.147 -12.565 4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.001 -11.285 5.648 1.00 0.00 H new ATOM 267 N LEU A 19 -2.934 -11.075 -0.067 1.00 0.00 N ATOM 268 CA LEU A 19 -2.905 -10.351 -1.342 1.00 0.00 C ATOM 269 C LEU A 19 -3.059 -11.348 -2.498 1.00 0.00 C ATOM 270 O LEU A 19 -2.372 -11.249 -3.520 1.00 0.00 O ATOM 271 CB LEU A 19 -1.599 -9.548 -1.479 1.00 0.00 C ATOM 272 CG LEU A 19 -1.429 -8.398 -0.484 1.00 0.00 C ATOM 273 CD1 LEU A 19 -0.039 -7.777 -0.674 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.530 -7.355 -0.758 1.00 0.00 C ATOM 0 H LEU A 19 -2.292 -11.868 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.734 -9.644 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.758 -10.232 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.546 -9.143 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.516 -8.754 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.092 -6.956 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.725 -8.534 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.055 -7.399 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.427 -6.525 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.434 -6.984 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.509 -7.817 -0.631 1.00 0.00 H new ATOM 286 N LEU A 20 -3.922 -12.351 -2.314 1.00 0.00 N ATOM 287 CA LEU A 20 -4.175 -13.394 -3.305 1.00 0.00 C ATOM 288 C LEU A 20 -5.582 -13.254 -3.885 1.00 0.00 C ATOM 289 O LEU A 20 -5.782 -13.504 -5.067 1.00 0.00 O ATOM 290 CB LEU A 20 -3.977 -14.800 -2.716 1.00 0.00 C ATOM 291 CG LEU A 20 -2.655 -15.145 -2.004 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.408 -14.614 -2.713 1.00 0.00 C ATOM 293 CD2 LEU A 20 -2.642 -14.729 -0.526 1.00 0.00 C ATOM 0 H LEU A 20 -4.470 -12.460 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.448 -13.266 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.785 -14.973 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.107 -15.516 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.611 -16.233 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.520 -14.899 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.352 -15.037 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.462 -13.527 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.685 -14.999 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.787 -13.651 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.446 -15.241 0.003 1.00 0.00 H new ATOM 305 N ASP A 21 -6.548 -12.798 -3.078 1.00 0.00 N ATOM 306 CA ASP A 21 -7.940 -12.611 -3.480 1.00 0.00 C ATOM 307 C ASP A 21 -8.063 -11.401 -4.411 1.00 0.00 C ATOM 308 O ASP A 21 -8.134 -10.257 -3.949 1.00 0.00 O ATOM 309 CB ASP A 21 -8.841 -12.467 -2.242 1.00 0.00 C ATOM 310 CG ASP A 21 -9.360 -13.823 -1.774 1.00 0.00 C ATOM 311 OD1 ASP A 21 -10.377 -14.281 -2.344 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.754 -14.449 -0.875 1.00 0.00 O ATOM 0 H ASP A 21 -6.375 -12.544 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.274 -13.491 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.282 -11.991 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.682 -11.814 -2.475 1.00 0.00 H new ATOM 317 N ASP A 22 -8.035 -11.654 -5.722 1.00 0.00 N ATOM 318 CA ASP A 22 -8.112 -10.673 -6.813 1.00 0.00 C ATOM 319 C ASP A 22 -9.329 -9.762 -6.654 1.00 0.00 C ATOM 320 O ASP A 22 -9.251 -8.584 -6.993 1.00 0.00 O ATOM 321 CB ASP A 22 -8.227 -11.372 -8.192 1.00 0.00 C ATOM 322 CG ASP A 22 -6.979 -12.059 -8.771 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.406 -12.981 -8.148 1.00 0.00 O ATOM 324 OD2 ASP A 22 -6.668 -11.848 -9.968 1.00 0.00 O ATOM 0 H ASP A 22 -7.953 -12.608 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.194 -10.087 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.015 -12.122 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.561 -10.627 -8.915 1.00 0.00 H new ATOM 329 N GLU A 23 -10.451 -10.305 -6.166 1.00 0.00 N ATOM 330 CA GLU A 23 -11.691 -9.552 -6.017 1.00 0.00 C ATOM 331 C GLU A 23 -11.572 -8.572 -4.860 1.00 0.00 C ATOM 332 O GLU A 23 -11.807 -7.378 -5.037 1.00 0.00 O ATOM 333 CB GLU A 23 -12.888 -10.483 -5.769 1.00 0.00 C ATOM 334 CG GLU A 23 -13.096 -11.467 -6.925 1.00 0.00 C ATOM 335 CD GLU A 23 -14.408 -12.256 -6.827 1.00 0.00 C ATOM 336 OE1 GLU A 23 -14.832 -12.619 -5.704 1.00 0.00 O ATOM 337 OE2 GLU A 23 -14.973 -12.560 -7.903 1.00 0.00 O ATOM 0 H GLU A 23 -10.519 -11.277 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.861 -9.010 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.731 -11.038 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.790 -9.886 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.081 -10.918 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.261 -12.167 -6.951 1.00 0.00 H new ATOM 344 N GLU A 24 -11.232 -9.090 -3.677 1.00 0.00 N ATOM 345 CA GLU A 24 -11.256 -8.334 -2.439 1.00 0.00 C ATOM 346 C GLU A 24 -10.248 -7.187 -2.515 1.00 0.00 C ATOM 347 O GLU A 24 -10.548 -6.084 -2.065 1.00 0.00 O ATOM 348 CB GLU A 24 -10.980 -9.276 -1.257 1.00 0.00 C ATOM 349 CG GLU A 24 -11.677 -8.770 0.012 1.00 0.00 C ATOM 350 CD GLU A 24 -11.438 -9.654 1.243 1.00 0.00 C ATOM 351 OE1 GLU A 24 -10.484 -10.462 1.274 1.00 0.00 O ATOM 352 OE2 GLU A 24 -12.192 -9.511 2.234 1.00 0.00 O ATOM 0 H GLU A 24 -10.930 -10.057 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.240 -7.892 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.331 -10.280 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.906 -9.347 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.329 -7.760 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.749 -8.705 -0.175 1.00 0.00 H new ATOM 359 N TYR A 25 -9.097 -7.414 -3.162 1.00 0.00 N ATOM 360 CA TYR A 25 -8.133 -6.375 -3.498 1.00 0.00 C ATOM 361 C TYR A 25 -8.829 -5.148 -4.100 1.00 0.00 C ATOM 362 O TYR A 25 -8.534 -4.017 -3.706 1.00 0.00 O ATOM 363 CB TYR A 25 -7.129 -6.965 -4.493 1.00 0.00 C ATOM 364 CG TYR A 25 -6.028 -6.042 -4.980 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.298 -5.106 -5.999 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.716 -6.190 -4.492 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.269 -4.310 -6.534 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.676 -5.422 -5.046 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.946 -4.474 -6.063 1.00 0.00 C ATOM 370 OH TYR A 25 -2.924 -3.755 -6.603 1.00 0.00 O ATOM 0 H TYR A 25 -8.811 -8.344 -3.469 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.621 -6.043 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.663 -7.835 -4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.682 -7.323 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.306 -4.999 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.509 -6.890 -3.696 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.488 -3.579 -7.299 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.664 -5.556 -4.693 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.078 -4.029 -6.191 1.00 0.00 H new ATOM 380 N GLU A 26 -9.713 -5.346 -5.083 1.00 0.00 N ATOM 381 CA GLU A 26 -10.230 -4.250 -5.893 1.00 0.00 C ATOM 382 C GLU A 26 -11.301 -3.449 -5.161 1.00 0.00 C ATOM 383 O GLU A 26 -11.423 -2.245 -5.404 1.00 0.00 O ATOM 384 CB GLU A 26 -10.712 -4.774 -7.261 1.00 0.00 C ATOM 385 CG GLU A 26 -9.915 -4.009 -8.330 1.00 0.00 C ATOM 386 CD GLU A 26 -10.177 -4.342 -9.801 1.00 0.00 C ATOM 387 OE1 GLU A 26 -10.822 -5.349 -10.175 1.00 0.00 O ATOM 388 OE2 GLU A 26 -9.633 -3.591 -10.643 1.00 0.00 O ATOM 0 H GLU A 26 -10.084 -6.262 -5.334 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.414 -3.551 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.543 -5.847 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.782 -4.609 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.106 -2.945 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.855 -4.171 -8.135 1.00 0.00 H new ATOM 395 N GLU A 27 -12.012 -4.107 -4.249 1.00 0.00 N ATOM 396 CA GLU A 27 -12.901 -3.499 -3.264 1.00 0.00 C ATOM 397 C GLU A 27 -12.086 -2.630 -2.305 1.00 0.00 C ATOM 398 O GLU A 27 -12.355 -1.443 -2.134 1.00 0.00 O ATOM 399 CB GLU A 27 -13.633 -4.586 -2.459 1.00 0.00 C ATOM 400 CG GLU A 27 -14.421 -5.562 -3.330 1.00 0.00 C ATOM 401 CD GLU A 27 -15.611 -4.929 -4.052 1.00 0.00 C ATOM 402 OE1 GLU A 27 -16.208 -3.945 -3.566 1.00 0.00 O ATOM 403 OE2 GLU A 27 -16.037 -5.503 -5.084 1.00 0.00 O ATOM 0 H GLU A 27 -11.983 -5.124 -4.173 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.635 -2.887 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.905 -5.143 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.314 -4.109 -1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.749 -5.997 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.781 -6.381 -2.707 1.00 0.00 H new ATOM 410 N ILE A 28 -11.074 -3.233 -1.671 1.00 0.00 N ATOM 411 CA ILE A 28 -10.307 -2.614 -0.602 1.00 0.00 C ATOM 412 C ILE A 28 -9.608 -1.344 -1.106 1.00 0.00 C ATOM 413 O ILE A 28 -9.474 -0.380 -0.348 1.00 0.00 O ATOM 414 CB ILE A 28 -9.307 -3.639 -0.017 1.00 0.00 C ATOM 415 CG1 ILE A 28 -9.996 -4.808 0.722 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.391 -2.922 0.988 1.00 0.00 C ATOM 417 CD1 ILE A 28 -9.096 -6.046 0.848 1.00 0.00 C ATOM 0 H ILE A 28 -10.766 -4.179 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.979 -2.309 0.200 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.753 -4.055 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.293 -4.478 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.908 -5.080 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.682 -3.636 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.847 -2.125 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.994 -2.496 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.633 -6.834 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.820 -6.398 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.195 -5.786 1.404 1.00 0.00 H new ATOM 429 N VAL A 29 -9.133 -1.324 -2.354 1.00 0.00 N ATOM 430 CA VAL A 29 -8.544 -0.114 -2.911 1.00 0.00 C ATOM 431 C VAL A 29 -9.581 1.010 -2.883 1.00 0.00 C ATOM 432 O VAL A 29 -9.242 2.113 -2.461 1.00 0.00 O ATOM 433 CB VAL A 29 -8.003 -0.376 -4.326 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.563 0.921 -5.027 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.760 -1.279 -4.293 1.00 0.00 C ATOM 0 H VAL A 29 -9.146 -2.123 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.693 0.196 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.825 -0.847 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.188 0.687 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.414 1.597 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.775 1.399 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.403 -1.444 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.977 -0.798 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.017 -2.236 -3.839 1.00 0.00 H new ATOM 445 N GLU A 30 -10.811 0.760 -3.334 1.00 0.00 N ATOM 446 CA GLU A 30 -11.813 1.805 -3.489 1.00 0.00 C ATOM 447 C GLU A 30 -12.299 2.311 -2.137 1.00 0.00 C ATOM 448 O GLU A 30 -12.532 3.515 -1.995 1.00 0.00 O ATOM 449 CB GLU A 30 -12.995 1.297 -4.331 1.00 0.00 C ATOM 450 CG GLU A 30 -12.638 1.116 -5.812 1.00 0.00 C ATOM 451 CD GLU A 30 -12.718 2.416 -6.616 1.00 0.00 C ATOM 452 OE1 GLU A 30 -11.816 3.274 -6.484 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.609 2.567 -7.485 1.00 0.00 O ATOM 0 H GLU A 30 -11.136 -0.170 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.346 2.641 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.340 0.345 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.824 1.999 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.629 0.711 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.311 0.381 -6.254 1.00 0.00 H new ATOM 460 N ASP A 31 -12.467 1.429 -1.147 1.00 0.00 N ATOM 461 CA ASP A 31 -13.023 1.866 0.138 1.00 0.00 C ATOM 462 C ASP A 31 -12.028 2.725 0.899 1.00 0.00 C ATOM 463 O ASP A 31 -12.411 3.669 1.601 1.00 0.00 O ATOM 464 CB ASP A 31 -13.456 0.702 1.043 1.00 0.00 C ATOM 465 CG ASP A 31 -14.520 1.153 2.067 1.00 0.00 C ATOM 466 OD1 ASP A 31 -15.161 2.222 1.908 1.00 0.00 O ATOM 467 OD2 ASP A 31 -14.745 0.436 3.065 1.00 0.00 O ATOM 0 H ASP A 31 -12.234 0.438 -1.205 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.912 2.445 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.856 -0.107 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.588 0.305 1.569 1.00 0.00 H new ATOM 472 N VAL A 32 -10.740 2.416 0.748 1.00 0.00 N ATOM 473 CA VAL A 32 -9.690 3.180 1.400 1.00 0.00 C ATOM 474 C VAL A 32 -9.422 4.432 0.580 1.00 0.00 C ATOM 475 O VAL A 32 -9.167 5.479 1.169 1.00 0.00 O ATOM 476 CB VAL A 32 -8.403 2.351 1.547 1.00 0.00 C ATOM 477 CG1 VAL A 32 -7.278 3.178 2.188 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.616 1.098 2.414 1.00 0.00 C ATOM 0 H VAL A 32 -10.404 1.640 0.178 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.017 3.452 2.404 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.126 2.051 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.382 2.564 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.063 4.045 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.590 3.512 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.680 0.544 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.942 1.396 3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.377 0.465 1.957 1.00 0.00 H new ATOM 488 N ARG A 33 -9.463 4.371 -0.756 1.00 0.00 N ATOM 489 CA ARG A 33 -9.156 5.546 -1.557 1.00 0.00 C ATOM 490 C ARG A 33 -10.077 6.683 -1.190 1.00 0.00 C ATOM 491 O ARG A 33 -9.606 7.813 -1.128 1.00 0.00 O ATOM 492 CB ARG A 33 -9.228 5.234 -3.059 1.00 0.00 C ATOM 493 CG ARG A 33 -8.665 6.388 -3.896 1.00 0.00 C ATOM 494 CD ARG A 33 -8.386 5.972 -5.343 1.00 0.00 C ATOM 495 NE ARG A 33 -9.611 5.971 -6.142 1.00 0.00 N ATOM 496 CZ ARG A 33 -9.758 5.463 -7.367 1.00 0.00 C ATOM 497 NH1 ARG A 33 -8.885 4.611 -7.900 1.00 0.00 N ATOM 498 NH2 ARG A 33 -10.802 5.844 -8.082 1.00 0.00 N ATOM 0 H ARG A 33 -9.701 3.535 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.132 5.849 -1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.669 4.322 -3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.263 5.046 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.371 7.218 -3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.743 6.749 -3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.661 6.654 -5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.939 4.978 -5.358 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.434 6.401 -5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.064 4.322 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.037 4.247 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.470 6.510 -7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.940 5.472 -9.022 1.00 0.00 H new ATOM 512 N ASP A 34 -11.339 6.404 -0.879 1.00 0.00 N ATOM 513 CA ASP A 34 -12.226 7.463 -0.434 1.00 0.00 C ATOM 514 C ASP A 34 -11.848 8.011 0.928 1.00 0.00 C ATOM 515 O ASP A 34 -12.143 9.174 1.213 1.00 0.00 O ATOM 516 CB ASP A 34 -13.668 6.991 -0.353 1.00 0.00 C ATOM 517 CG ASP A 34 -14.613 8.011 -0.993 1.00 0.00 C ATOM 518 OD1 ASP A 34 -14.261 8.588 -2.049 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.677 8.265 -0.381 1.00 0.00 O ATOM 0 H ASP A 34 -11.759 5.476 -0.926 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.123 8.250 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.769 6.030 -0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.946 6.836 0.689 1.00 0.00 H new ATOM 524 N GLU A 35 -11.247 7.189 1.796 1.00 0.00 N ATOM 525 CA GLU A 35 -10.823 7.673 3.093 1.00 0.00 C ATOM 526 C GLU A 35 -9.661 8.650 2.944 1.00 0.00 C ATOM 527 O GLU A 35 -9.696 9.739 3.518 1.00 0.00 O ATOM 528 CB GLU A 35 -10.587 6.577 4.149 1.00 0.00 C ATOM 529 CG GLU A 35 -9.248 5.824 4.245 1.00 0.00 C ATOM 530 CD GLU A 35 -9.021 5.313 5.688 1.00 0.00 C ATOM 531 OE1 GLU A 35 -8.824 6.113 6.634 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.123 4.082 5.916 1.00 0.00 O ATOM 0 H GLU A 35 -11.051 6.204 1.619 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.667 8.223 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.764 7.033 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.363 5.825 4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.245 4.984 3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.431 6.483 3.953 1.00 0.00 H new ATOM 539 N CYS A 36 -8.664 8.323 2.119 1.00 0.00 N ATOM 540 CA CYS A 36 -7.599 9.247 1.796 1.00 0.00 C ATOM 541 C CYS A 36 -8.061 10.427 0.930 1.00 0.00 C ATOM 542 O CYS A 36 -7.525 11.528 1.077 1.00 0.00 O ATOM 543 CB CYS A 36 -6.344 8.495 1.326 1.00 0.00 C ATOM 544 SG CYS A 36 -6.589 6.973 0.402 1.00 0.00 S ATOM 0 H CYS A 36 -8.581 7.414 1.664 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.288 9.754 2.709 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.757 9.174 0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.742 8.263 2.204 1.00 0.00 H new ATOM 0 HG CYS A 36 -7.611 6.331 0.886 1.00 0.00 H new ATOM 550 N SER A 37 -9.123 10.256 0.139 1.00 0.00 N ATOM 551 CA SER A 37 -9.774 11.313 -0.625 1.00 0.00 C ATOM 552 C SER A 37 -10.370 12.399 0.290 1.00 0.00 C ATOM 553 O SER A 37 -10.650 13.506 -0.170 1.00 0.00 O ATOM 554 CB SER A 37 -10.820 10.683 -1.561 1.00 0.00 C ATOM 555 OG SER A 37 -11.321 11.552 -2.556 1.00 0.00 O ATOM 0 H SER A 37 -9.565 9.346 0.011 1.00 0.00 H new ATOM 0 HA SER A 37 -9.032 11.827 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.376 9.814 -2.047 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.654 10.321 -0.960 1.00 0.00 H new ATOM 0 HG SER A 37 -11.977 11.075 -3.107 1.00 0.00 H new ATOM 561 N LYS A 38 -10.523 12.170 1.603 1.00 0.00 N ATOM 562 CA LYS A 38 -11.020 13.196 2.530 1.00 0.00 C ATOM 563 C LYS A 38 -10.127 14.429 2.646 1.00 0.00 C ATOM 564 O LYS A 38 -10.562 15.412 3.254 1.00 0.00 O ATOM 565 CB LYS A 38 -11.231 12.595 3.922 1.00 0.00 C ATOM 566 CG LYS A 38 -12.479 11.715 3.959 1.00 0.00 C ATOM 567 CD LYS A 38 -12.661 11.110 5.359 1.00 0.00 C ATOM 568 CE LYS A 38 -14.118 10.766 5.696 1.00 0.00 C ATOM 569 NZ LYS A 38 -14.998 11.949 5.729 1.00 0.00 N ATOM 0 H LYS A 38 -10.308 11.278 2.048 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.964 13.536 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.358 12.005 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.325 13.395 4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.356 12.304 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.393 10.919 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.056 10.207 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.281 11.812 6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.498 10.058 4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.153 10.267 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.863 11.723 6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.503 12.737 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.249 12.222 4.757 1.00 0.00 H new ATOM 583 N TYR A 39 -8.908 14.407 2.115 1.00 0.00 N ATOM 584 CA TYR A 39 -7.920 15.467 2.327 1.00 0.00 C ATOM 585 C TYR A 39 -7.320 15.995 1.021 1.00 0.00 C ATOM 586 O TYR A 39 -6.495 16.910 1.060 1.00 0.00 O ATOM 587 CB TYR A 39 -6.841 14.962 3.296 1.00 0.00 C ATOM 588 CG TYR A 39 -7.396 14.353 4.572 1.00 0.00 C ATOM 589 CD1 TYR A 39 -7.790 15.171 5.651 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.611 12.964 4.636 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.392 14.605 6.793 1.00 0.00 C ATOM 592 CE2 TYR A 39 -8.213 12.400 5.770 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.606 13.208 6.854 1.00 0.00 C ATOM 594 OH TYR A 39 -9.197 12.621 7.929 1.00 0.00 O ATOM 0 H TYR A 39 -8.573 13.649 1.521 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.428 16.323 2.771 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.228 14.218 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.184 15.792 3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.629 16.238 5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.313 12.333 3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.689 15.235 7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.377 11.333 5.812 1.00 0.00 H new ATOM 0 HH TYR A 39 -9.256 11.654 7.782 1.00 0.00 H new ATOM 604 N GLY A 40 -7.725 15.456 -0.127 1.00 0.00 N ATOM 605 CA GLY A 40 -7.222 15.802 -1.443 1.00 0.00 C ATOM 606 C GLY A 40 -7.675 14.760 -2.431 1.00 0.00 C ATOM 607 O GLY A 40 -8.407 13.837 -2.086 1.00 0.00 O ATOM 0 H GLY A 40 -8.445 14.734 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.587 16.785 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.134 15.858 -1.427 1.00 0.00 H new ATOM 611 N LEU A 41 -7.194 14.882 -3.655 1.00 0.00 N ATOM 612 CA LEU A 41 -7.484 13.938 -4.713 1.00 0.00 C ATOM 613 C LEU A 41 -6.352 12.918 -4.753 1.00 0.00 C ATOM 614 O LEU A 41 -5.204 13.241 -5.079 1.00 0.00 O ATOM 615 CB LEU A 41 -7.654 14.738 -5.994 1.00 0.00 C ATOM 616 CG LEU A 41 -7.953 13.957 -7.290 1.00 0.00 C ATOM 617 CD1 LEU A 41 -6.761 13.221 -7.907 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.115 12.981 -7.106 1.00 0.00 C ATOM 0 H LEU A 41 -6.585 15.648 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.404 13.374 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.462 15.453 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.743 15.316 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.224 14.738 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.081 12.705 -8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.979 13.939 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.373 12.494 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.295 12.450 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.868 12.264 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.012 13.532 -6.823 1.00 0.00 H new ATOM 630 N VAL A 42 -6.685 11.686 -4.384 1.00 0.00 N ATOM 631 CA VAL A 42 -5.799 10.532 -4.473 1.00 0.00 C ATOM 632 C VAL A 42 -5.672 10.196 -5.959 1.00 0.00 C ATOM 633 O VAL A 42 -6.638 9.775 -6.600 1.00 0.00 O ATOM 634 CB VAL A 42 -6.348 9.345 -3.658 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.398 8.144 -3.796 1.00 0.00 C ATOM 636 CG2 VAL A 42 -6.524 9.655 -2.163 1.00 0.00 C ATOM 0 H VAL A 42 -7.604 11.457 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.820 10.753 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.335 9.126 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.787 7.305 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.322 7.859 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.411 8.416 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.914 8.774 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.561 9.928 -1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.223 10.483 -2.043 1.00 0.00 H new ATOM 646 N LYS A 43 -4.496 10.445 -6.532 1.00 0.00 N ATOM 647 CA LYS A 43 -4.185 10.167 -7.925 1.00 0.00 C ATOM 648 C LYS A 43 -4.267 8.672 -8.215 1.00 0.00 C ATOM 649 O LYS A 43 -4.923 8.321 -9.193 1.00 0.00 O ATOM 650 CB LYS A 43 -2.784 10.708 -8.231 1.00 0.00 C ATOM 651 CG LYS A 43 -2.362 10.716 -9.708 1.00 0.00 C ATOM 652 CD LYS A 43 -2.816 11.962 -10.481 1.00 0.00 C ATOM 653 CE LYS A 43 -4.329 12.056 -10.720 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.885 10.899 -11.448 1.00 0.00 N ATOM 0 H LYS A 43 -3.714 10.857 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.915 10.660 -8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.722 11.728 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.060 10.116 -7.672 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.276 10.641 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.769 9.830 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.493 12.848 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.308 11.979 -11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.835 12.147 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.544 12.965 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.837 11.133 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.269 10.667 -12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.942 10.081 -10.808 1.00 0.00 H new ATOM 668 N SER A 44 -3.592 7.812 -7.440 1.00 0.00 N ATOM 669 CA SER A 44 -3.613 6.346 -7.556 1.00 0.00 C ATOM 670 C SER A 44 -2.967 5.699 -6.326 1.00 0.00 C ATOM 671 O SER A 44 -2.421 6.393 -5.469 1.00 0.00 O ATOM 672 CB SER A 44 -2.867 5.904 -8.823 1.00 0.00 C ATOM 673 OG SER A 44 -3.659 6.130 -9.976 1.00 0.00 O ATOM 0 H SER A 44 -2.990 8.132 -6.682 1.00 0.00 H new ATOM 0 HA SER A 44 -4.652 6.023 -7.619 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.928 6.451 -8.908 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.614 4.846 -8.751 1.00 0.00 H new ATOM 0 HG SER A 44 -4.397 6.735 -9.752 1.00 0.00 H new ATOM 679 N ILE A 45 -3.054 4.366 -6.211 1.00 0.00 N ATOM 680 CA ILE A 45 -2.519 3.594 -5.094 1.00 0.00 C ATOM 681 C ILE A 45 -1.807 2.370 -5.673 1.00 0.00 C ATOM 682 O ILE A 45 -2.250 1.813 -6.677 1.00 0.00 O ATOM 683 CB ILE A 45 -3.641 3.183 -4.113 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.444 4.374 -3.564 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.029 2.452 -2.906 1.00 0.00 C ATOM 686 CD1 ILE A 45 -5.895 4.007 -3.267 1.00 0.00 C ATOM 0 H ILE A 45 -3.511 3.785 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.814 4.197 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.318 2.547 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.970 4.740 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.419 5.190 -4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.821 2.163 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.503 1.561 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.328 3.114 -2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.420 4.881 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.379 3.667 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.924 3.210 -2.524 1.00 0.00 H new ATOM 698 N GLU A 46 -0.729 1.942 -5.025 1.00 0.00 N ATOM 699 CA GLU A 46 0.157 0.847 -5.433 1.00 0.00 C ATOM 700 C GLU A 46 0.173 -0.230 -4.342 1.00 0.00 C ATOM 701 O GLU A 46 0.421 0.087 -3.179 1.00 0.00 O ATOM 702 CB GLU A 46 1.591 1.358 -5.691 1.00 0.00 C ATOM 703 CG GLU A 46 2.273 0.688 -6.899 1.00 0.00 C ATOM 704 CD GLU A 46 2.077 -0.842 -6.983 1.00 0.00 C ATOM 705 OE1 GLU A 46 1.025 -1.308 -7.488 1.00 0.00 O ATOM 706 OE2 GLU A 46 2.944 -1.606 -6.502 1.00 0.00 O ATOM 0 H GLU A 46 -0.429 2.372 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.222 0.423 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.561 2.436 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.196 1.186 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.889 1.141 -7.813 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.341 0.902 -6.861 1.00 0.00 H new ATOM 713 N ILE A 47 -0.126 -1.485 -4.696 1.00 0.00 N ATOM 714 CA ILE A 47 -0.258 -2.631 -3.789 1.00 0.00 C ATOM 715 C ILE A 47 0.378 -3.853 -4.482 1.00 0.00 C ATOM 716 O ILE A 47 -0.273 -4.541 -5.266 1.00 0.00 O ATOM 717 CB ILE A 47 -1.718 -2.889 -3.342 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.419 -1.597 -2.875 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.718 -3.969 -2.236 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.812 -1.809 -2.286 1.00 0.00 C ATOM 0 H ILE A 47 -0.290 -1.741 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 47 0.268 -2.418 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.291 -3.247 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.793 -1.109 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.496 -0.914 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.742 -4.159 -1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.284 -4.889 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.129 -3.621 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.230 -0.848 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.458 -2.266 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.744 -2.464 -1.417 1.00 0.00 H new ATOM 732 N PRO A 48 1.692 -4.082 -4.350 1.00 0.00 N ATOM 733 CA PRO A 48 2.365 -5.204 -4.990 1.00 0.00 C ATOM 734 C PRO A 48 1.983 -6.492 -4.258 1.00 0.00 C ATOM 735 O PRO A 48 1.899 -6.511 -3.028 1.00 0.00 O ATOM 736 CB PRO A 48 3.851 -4.884 -4.876 1.00 0.00 C ATOM 737 CG PRO A 48 3.933 -4.148 -3.545 1.00 0.00 C ATOM 738 CD PRO A 48 2.600 -3.395 -3.455 1.00 0.00 C ATOM 0 HA PRO A 48 2.088 -5.350 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.461 -5.787 -4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.197 -4.264 -5.703 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.057 -4.841 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.781 -3.463 -3.519 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.218 -3.398 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.721 -2.352 -3.747 1.00 0.00 H new ATOM 746 N ARG A 49 1.760 -7.575 -5.000 1.00 0.00 N ATOM 747 CA ARG A 49 1.248 -8.843 -4.477 1.00 0.00 C ATOM 748 C ARG A 49 2.317 -9.921 -4.666 1.00 0.00 C ATOM 749 O ARG A 49 3.051 -9.849 -5.658 1.00 0.00 O ATOM 750 CB ARG A 49 0.009 -9.244 -5.285 1.00 0.00 C ATOM 751 CG ARG A 49 -1.118 -8.194 -5.367 1.00 0.00 C ATOM 752 CD ARG A 49 -2.025 -8.462 -6.569 1.00 0.00 C ATOM 753 NE ARG A 49 -1.313 -8.272 -7.849 1.00 0.00 N ATOM 754 CZ ARG A 49 -1.371 -7.205 -8.651 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.271 -6.251 -8.441 1.00 0.00 N ATOM 756 NH2 ARG A 49 -0.505 -7.088 -9.657 1.00 0.00 N ATOM 0 H ARG A 49 1.934 -7.597 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 49 0.997 -8.738 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.325 -9.488 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.403 -10.156 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.707 -8.214 -4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.686 -7.196 -5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.408 -9.481 -6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.886 -7.795 -6.530 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.712 -9.038 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.925 -6.329 -7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.308 -5.440 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.198 -7.811 -9.812 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.545 -6.275 -10.272 1.00 0.00 H new ATOM 770 N PRO A 50 2.446 -10.908 -3.764 1.00 0.00 N ATOM 771 CA PRO A 50 3.348 -12.026 -3.964 1.00 0.00 C ATOM 772 C PRO A 50 2.816 -12.879 -5.106 1.00 0.00 C ATOM 773 O PRO A 50 1.637 -13.258 -5.127 1.00 0.00 O ATOM 774 CB PRO A 50 3.426 -12.760 -2.631 1.00 0.00 C ATOM 775 CG PRO A 50 2.081 -12.455 -1.979 1.00 0.00 C ATOM 776 CD PRO A 50 1.663 -11.102 -2.556 1.00 0.00 C ATOM 0 HA PRO A 50 4.357 -11.728 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.571 -13.831 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.257 -12.402 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.346 -13.227 -2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.169 -12.412 -0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.596 -11.089 -2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.849 -10.301 -1.840 1.00 0.00 H new ATOM 866 N PRO A 57 9.379 -7.116 -4.041 1.00 0.00 N ATOM 867 CA PRO A 57 10.403 -6.288 -3.436 1.00 0.00 C ATOM 868 C PRO A 57 9.721 -5.256 -2.545 1.00 0.00 C ATOM 869 O PRO A 57 9.038 -4.358 -3.038 1.00 0.00 O ATOM 870 CB PRO A 57 11.159 -5.631 -4.589 1.00 0.00 C ATOM 871 CG PRO A 57 10.115 -5.561 -5.704 1.00 0.00 C ATOM 872 CD PRO A 57 9.184 -6.736 -5.434 1.00 0.00 C ATOM 0 HA PRO A 57 11.098 -6.853 -2.816 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.524 -4.640 -4.317 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.027 -6.219 -4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.575 -4.614 -5.682 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.579 -5.641 -6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.146 -6.457 -5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.412 -7.570 -6.098 1.00 0.00 H new ATOM 880 N GLY A 58 9.901 -5.392 -1.237 1.00 0.00 N ATOM 881 CA GLY A 58 9.264 -4.543 -0.260 1.00 0.00 C ATOM 882 C GLY A 58 7.778 -4.859 -0.253 1.00 0.00 C ATOM 883 O GLY A 58 6.962 -3.990 -0.538 1.00 0.00 O ATOM 0 H GLY A 58 10.503 -6.107 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.693 -4.712 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.428 -3.493 -0.504 1.00 0.00 H new ATOM 887 N CYS A 59 7.427 -6.109 0.025 1.00 0.00 N ATOM 888 CA CYS A 59 6.044 -6.516 0.206 1.00 0.00 C ATOM 889 C CYS A 59 5.545 -5.964 1.538 1.00 0.00 C ATOM 890 O CYS A 59 6.330 -5.743 2.465 1.00 0.00 O ATOM 891 CB CYS A 59 6.022 -8.042 0.175 1.00 0.00 C ATOM 892 SG CYS A 59 4.357 -8.760 0.073 1.00 0.00 S ATOM 0 H CYS A 59 8.098 -6.870 0.131 1.00 0.00 H new ATOM 0 HA CYS A 59 5.389 -6.132 -0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.607 -8.385 -0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.514 -8.420 1.071 1.00 0.00 H new ATOM 0 HG CYS A 59 4.444 -10.057 0.050 1.00 0.00 H new ATOM 898 N GLY A 60 4.237 -5.764 1.646 1.00 0.00 N ATOM 899 CA GLY A 60 3.554 -5.397 2.873 1.00 0.00 C ATOM 900 C GLY A 60 3.232 -3.913 2.950 1.00 0.00 C ATOM 901 O GLY A 60 2.410 -3.524 3.781 1.00 0.00 O ATOM 0 H GLY A 60 3.604 -5.857 0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.630 -5.969 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.175 -5.674 3.725 1.00 0.00 H new ATOM 905 N LYS A 61 3.843 -3.064 2.121 1.00 0.00 N ATOM 906 CA LYS A 61 3.602 -1.624 2.144 1.00 0.00 C ATOM 907 C LYS A 61 2.589 -1.291 1.053 1.00 0.00 C ATOM 908 O LYS A 61 2.291 -2.124 0.187 1.00 0.00 O ATOM 909 CB LYS A 61 4.898 -0.799 1.994 1.00 0.00 C ATOM 910 CG LYS A 61 6.090 -1.254 2.847 1.00 0.00 C ATOM 911 CD LYS A 61 6.859 -2.366 2.119 1.00 0.00 C ATOM 912 CE LYS A 61 8.292 -2.503 2.608 1.00 0.00 C ATOM 913 NZ LYS A 61 9.232 -1.773 1.739 1.00 0.00 N ATOM 0 H LYS A 61 4.519 -3.358 1.416 1.00 0.00 H new ATOM 0 HA LYS A 61 3.201 -1.349 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.198 -0.819 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.675 0.239 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.752 -0.410 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.740 -1.615 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.339 -3.314 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.862 -2.159 1.049 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.368 -2.124 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.568 -3.557 2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.903 -2.444 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.703 -1.287 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.754 -1.073 2.303 1.00 0.00 H new ATOM 927 N ILE A 62 2.069 -0.074 1.082 1.00 0.00 N ATOM 928 CA ILE A 62 1.189 0.490 0.074 1.00 0.00 C ATOM 929 C ILE A 62 1.699 1.914 -0.139 1.00 0.00 C ATOM 930 O ILE A 62 2.142 2.560 0.814 1.00 0.00 O ATOM 931 CB ILE A 62 -0.281 0.417 0.550 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.715 -1.067 0.611 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.176 1.254 -0.376 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.191 -1.296 0.926 1.00 0.00 C ATOM 0 H ILE A 62 2.259 0.576 1.845 1.00 0.00 H new ATOM 0 HA ILE A 62 1.200 -0.054 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.381 0.838 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.486 -1.536 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.115 -1.574 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.209 1.197 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.846 2.293 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.109 0.868 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.397 -2.366 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.427 -0.862 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.804 -0.823 0.159 1.00 0.00 H new ATOM 946 N PHE A 63 1.658 2.410 -1.373 1.00 0.00 N ATOM 947 CA PHE A 63 2.034 3.782 -1.699 1.00 0.00 C ATOM 948 C PHE A 63 0.844 4.459 -2.368 1.00 0.00 C ATOM 949 O PHE A 63 0.163 3.849 -3.194 1.00 0.00 O ATOM 950 CB PHE A 63 3.267 3.802 -2.611 1.00 0.00 C ATOM 951 CG PHE A 63 4.470 3.025 -2.129 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.430 1.621 -2.131 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.669 3.683 -1.795 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.566 0.885 -1.796 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.817 2.934 -1.481 1.00 0.00 C ATOM 956 CZ PHE A 63 6.767 1.534 -1.483 1.00 0.00 C ATOM 0 H PHE A 63 1.360 1.865 -2.182 1.00 0.00 H new ATOM 0 HA PHE A 63 2.297 4.323 -0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.977 3.412 -3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.567 4.840 -2.758 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.516 1.109 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.707 4.762 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.519 -0.194 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.740 3.440 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.649 0.959 -1.245 1.00 0.00 H new ATOM 966 N VAL A 64 0.603 5.731 -2.081 1.00 0.00 N ATOM 967 CA VAL A 64 -0.624 6.434 -2.436 1.00 0.00 C ATOM 968 C VAL A 64 -0.158 7.765 -3.013 1.00 0.00 C ATOM 969 O VAL A 64 0.360 8.607 -2.282 1.00 0.00 O ATOM 970 CB VAL A 64 -1.515 6.565 -1.180 1.00 0.00 C ATOM 971 CG1 VAL A 64 -2.798 7.375 -1.405 1.00 0.00 C ATOM 972 CG2 VAL A 64 -1.895 5.228 -0.551 1.00 0.00 C ATOM 0 H VAL A 64 1.272 6.318 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.243 5.918 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.873 7.112 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.367 7.420 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.540 8.385 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.400 6.896 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.520 5.402 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.445 4.628 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.991 4.697 -0.252 1.00 0.00 H new ATOM 982 N GLU A 65 -0.218 7.911 -4.332 1.00 0.00 N ATOM 983 CA GLU A 65 0.153 9.134 -5.024 1.00 0.00 C ATOM 984 C GLU A 65 -1.066 10.068 -4.992 1.00 0.00 C ATOM 985 O GLU A 65 -2.198 9.627 -5.221 1.00 0.00 O ATOM 986 CB GLU A 65 0.682 8.744 -6.423 1.00 0.00 C ATOM 987 CG GLU A 65 0.916 9.916 -7.383 1.00 0.00 C ATOM 988 CD GLU A 65 1.807 9.658 -8.606 1.00 0.00 C ATOM 989 OE1 GLU A 65 1.648 8.595 -9.248 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.516 10.608 -9.014 1.00 0.00 O ATOM 0 H GLU A 65 -0.531 7.169 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 65 0.964 9.692 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.620 8.202 -6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.027 8.055 -6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.055 10.259 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.354 10.736 -6.814 1.00 0.00 H new ATOM 997 N PHE A 66 -0.850 11.348 -4.682 1.00 0.00 N ATOM 998 CA PHE A 66 -1.815 12.440 -4.762 1.00 0.00 C ATOM 999 C PHE A 66 -1.383 13.385 -5.882 1.00 0.00 C ATOM 1000 O PHE A 66 -0.313 13.243 -6.466 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.897 13.212 -3.433 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.519 12.457 -2.280 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -1.739 11.558 -1.532 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.866 12.677 -1.928 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -2.307 10.883 -0.443 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.421 12.024 -0.815 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.642 11.116 -0.076 1.00 0.00 C ATOM 0 H PHE A 66 0.060 11.666 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.803 12.028 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.890 13.514 -3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.469 14.125 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.706 11.388 -1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.473 13.350 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.713 10.178 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.444 12.219 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.069 10.600 0.771 1.00 0.00 H new ATOM 1017 N THR A 67 -2.224 14.369 -6.187 1.00 0.00 N ATOM 1018 CA THR A 67 -1.984 15.307 -7.273 1.00 0.00 C ATOM 1019 C THR A 67 -1.257 16.580 -6.804 1.00 0.00 C ATOM 1020 O THR A 67 -0.827 17.354 -7.657 1.00 0.00 O ATOM 1021 CB THR A 67 -3.329 15.551 -7.974 1.00 0.00 C ATOM 1022 OG1 THR A 67 -3.246 16.294 -9.180 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.354 16.223 -7.059 1.00 0.00 C ATOM 0 H THR A 67 -3.095 14.537 -5.684 1.00 0.00 H new ATOM 0 HA THR A 67 -1.289 14.889 -8.001 1.00 0.00 H new ATOM 0 HB THR A 67 -3.659 14.544 -8.230 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.479 16.902 -9.137 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.286 16.372 -7.604 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.538 15.589 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.969 17.188 -6.728 1.00 0.00 H new ATOM 1031 N SER A 68 -1.081 16.841 -5.499 1.00 0.00 N ATOM 1032 CA SER A 68 -0.163 17.883 -5.032 1.00 0.00 C ATOM 1033 C SER A 68 0.343 17.604 -3.617 1.00 0.00 C ATOM 1034 O SER A 68 -0.307 16.925 -2.824 1.00 0.00 O ATOM 1035 CB SER A 68 -0.820 19.268 -5.119 1.00 0.00 C ATOM 1036 OG SER A 68 -0.821 19.712 -6.458 1.00 0.00 O ATOM 0 H SER A 68 -1.564 16.343 -4.751 1.00 0.00 H new ATOM 0 HA SER A 68 0.704 17.873 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.841 19.221 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.280 19.977 -4.491 1.00 0.00 H new ATOM 0 HG SER A 68 -0.475 19.002 -7.038 1.00 0.00 H new ATOM 1042 N VAL A 69 1.510 18.171 -3.302 1.00 0.00 N ATOM 1043 CA VAL A 69 2.249 17.940 -2.061 1.00 0.00 C ATOM 1044 C VAL A 69 1.463 18.514 -0.876 1.00 0.00 C ATOM 1045 O VAL A 69 1.607 18.051 0.254 1.00 0.00 O ATOM 1046 CB VAL A 69 3.655 18.575 -2.179 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.594 18.195 -1.027 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.366 18.198 -3.489 1.00 0.00 C ATOM 0 H VAL A 69 1.982 18.826 -3.926 1.00 0.00 H new ATOM 0 HA VAL A 69 2.373 16.871 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 69 3.458 19.647 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.562 18.675 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.164 18.527 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.725 17.113 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.348 18.671 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.483 17.116 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.772 18.540 -4.337 1.00 0.00 H new ATOM 1058 N PHE A 70 0.605 19.508 -1.127 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.348 20.037 -0.166 1.00 0.00 C ATOM 1060 C PHE A 70 -1.303 18.928 0.268 1.00 0.00 C ATOM 1061 O PHE A 70 -1.346 18.610 1.452 1.00 0.00 O ATOM 1062 CB PHE A 70 -1.114 21.210 -0.787 1.00 0.00 C ATOM 1063 CG PHE A 70 -0.285 22.465 -0.957 1.00 0.00 C ATOM 1064 CD1 PHE A 70 -0.225 23.413 0.083 1.00 0.00 C ATOM 1065 CD2 PHE A 70 0.436 22.684 -2.146 1.00 0.00 C ATOM 1066 CE1 PHE A 70 0.549 24.574 -0.070 1.00 0.00 C ATOM 1067 CE2 PHE A 70 1.225 23.835 -2.286 1.00 0.00 C ATOM 1068 CZ PHE A 70 1.285 24.779 -1.250 1.00 0.00 C ATOM 0 H PHE A 70 0.559 19.975 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 70 0.181 20.403 0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.498 20.905 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.977 21.439 -0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.774 23.247 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.382 21.966 -2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.579 25.310 0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.788 23.995 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.896 25.663 -1.359 1.00 0.00 H new ATOM 1078 N ASP A 71 -2.038 18.331 -0.677 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.027 17.272 -0.443 1.00 0.00 C ATOM 1080 C ASP A 71 -2.402 16.164 0.398 1.00 0.00 C ATOM 1081 O ASP A 71 -2.980 15.727 1.391 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.553 16.683 -1.774 1.00 0.00 C ATOM 1083 CG ASP A 71 -4.500 17.580 -2.582 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -4.489 18.820 -2.387 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -5.233 17.046 -3.441 1.00 0.00 O ATOM 0 H ASP A 71 -1.958 18.581 -1.663 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.872 17.710 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.697 16.435 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.069 15.748 -1.555 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.186 15.767 0.023 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.423 14.727 0.687 1.00 0.00 C ATOM 1092 C CYS A 72 -0.114 15.130 2.135 1.00 0.00 C ATOM 1093 O CYS A 72 -0.401 14.371 3.063 1.00 0.00 O ATOM 1094 CB CYS A 72 0.848 14.450 -0.132 1.00 0.00 C ATOM 1095 SG CYS A 72 1.792 13.083 0.584 1.00 0.00 S ATOM 0 H CYS A 72 -0.697 16.175 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.002 13.805 0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.578 14.211 -1.161 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.467 15.347 -0.165 1.00 0.00 H new ATOM 0 HG CYS A 72 2.652 13.551 1.440 1.00 0.00 H new ATOM 1101 N GLN A 73 0.423 16.335 2.351 1.00 0.00 N ATOM 1102 CA GLN A 73 0.726 16.868 3.672 1.00 0.00 C ATOM 1103 C GLN A 73 -0.504 16.893 4.586 1.00 0.00 C ATOM 1104 O GLN A 73 -0.362 16.690 5.797 1.00 0.00 O ATOM 1105 CB GLN A 73 1.338 18.277 3.533 1.00 0.00 C ATOM 1106 CG GLN A 73 2.861 18.249 3.359 1.00 0.00 C ATOM 1107 CD GLN A 73 3.412 19.634 3.051 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.890 20.346 3.937 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.339 20.024 1.794 1.00 0.00 N ATOM 0 H GLN A 73 0.662 16.975 1.594 1.00 0.00 H new ATOM 0 HA GLN A 73 1.449 16.204 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.888 18.781 2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.089 18.865 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.325 17.865 4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.124 17.564 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.936 19.405 1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.685 20.945 1.525 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.705 17.147 4.049 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.929 17.143 4.841 1.00 0.00 C ATOM 1120 C LYS A 74 -3.365 15.703 5.107 1.00 0.00 C ATOM 1121 O LYS A 74 -3.774 15.394 6.231 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.043 17.946 4.144 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.586 19.243 3.451 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.566 20.415 3.567 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.128 21.489 2.559 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.120 22.572 2.390 1.00 0.00 N ATOM 0 H LYS A 74 -1.849 17.359 3.062 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.732 17.629 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.519 17.306 3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.804 18.197 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.628 19.546 3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.416 19.033 2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.584 20.085 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.564 20.817 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.182 21.920 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.946 21.018 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.765 23.263 1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.017 22.171 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.276 23.045 3.303 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.299 14.830 4.097 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.684 13.429 4.200 1.00 0.00 C ATOM 1142 C ALA A 75 -2.879 12.733 5.290 1.00 0.00 C ATOM 1143 O ALA A 75 -3.479 12.102 6.156 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.513 12.725 2.852 1.00 0.00 C ATOM 0 H ALA A 75 -2.969 15.089 3.167 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.737 13.377 4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.805 11.679 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.142 13.211 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.470 12.783 2.541 1.00 0.00 H new ATOM 1150 N MET A 76 -1.550 12.907 5.292 1.00 0.00 N ATOM 1151 CA MET A 76 -0.632 12.364 6.292 1.00 0.00 C ATOM 1152 C MET A 76 -1.196 12.577 7.692 1.00 0.00 C ATOM 1153 O MET A 76 -1.546 11.616 8.377 1.00 0.00 O ATOM 1154 CB MET A 76 0.731 13.067 6.190 1.00 0.00 C ATOM 1155 CG MET A 76 1.612 12.596 5.036 1.00 0.00 C ATOM 1156 SD MET A 76 2.892 11.346 5.381 1.00 0.00 S ATOM 1157 CE MET A 76 3.600 11.767 6.971 1.00 0.00 C ATOM 0 H MET A 76 -1.073 13.449 4.571 1.00 0.00 H new ATOM 0 HA MET A 76 -0.510 11.297 6.107 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.564 14.139 6.086 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.271 12.918 7.125 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.958 12.197 4.260 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.107 13.472 4.617 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.673 11.579 6.953 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.420 12.821 7.182 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.138 11.158 7.748 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.292 13.840 8.114 1.00 0.00 N ATOM 1168 CA GLN A 77 -1.692 14.195 9.471 1.00 0.00 C ATOM 1169 C GLN A 77 -3.099 13.682 9.786 1.00 0.00 C ATOM 1170 O GLN A 77 -3.340 13.219 10.903 1.00 0.00 O ATOM 1171 CB GLN A 77 -1.639 15.718 9.653 1.00 0.00 C ATOM 1172 CG GLN A 77 -0.234 16.334 9.573 1.00 0.00 C ATOM 1173 CD GLN A 77 0.687 15.854 10.691 1.00 0.00 C ATOM 1174 OE1 GLN A 77 0.303 15.818 11.854 1.00 0.00 O ATOM 1175 NE2 GLN A 77 1.913 15.465 10.383 1.00 0.00 N ATOM 0 H GLN A 77 -1.093 14.645 7.520 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.995 13.723 10.163 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.266 16.182 8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.074 15.968 10.620 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.212 16.086 8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.315 17.420 9.617 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.230 15.496 9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.542 15.134 11.115 1.00 0.00 H new ATOM 1184 N GLY A 78 -4.023 13.757 8.819 1.00 0.00 N ATOM 1185 CA GLY A 78 -5.409 13.330 8.981 1.00 0.00 C ATOM 1186 C GLY A 78 -5.525 11.832 9.241 1.00 0.00 C ATOM 1187 O GLY A 78 -6.380 11.397 10.013 1.00 0.00 O ATOM 0 H GLY A 78 -3.820 14.123 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.861 13.876 9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.973 13.586 8.084 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.665 11.042 8.601 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.773 9.591 8.534 1.00 0.00 C ATOM 1193 C LEU A 79 -3.750 8.924 9.458 1.00 0.00 C ATOM 1194 O LEU A 79 -3.656 7.697 9.496 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.638 9.142 7.067 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.760 9.710 6.163 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -5.442 9.559 4.676 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.121 9.062 6.446 1.00 0.00 C ATOM 0 H LEU A 79 -3.853 11.406 8.102 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.752 9.273 8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.670 9.461 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.656 8.053 7.021 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.814 10.771 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.259 9.972 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.521 10.094 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.319 8.503 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.874 9.494 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.057 7.988 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.401 9.242 7.484 1.00 0.00 H new ATOM 1210 N THR A 80 -2.986 9.711 10.218 1.00 0.00 N ATOM 1211 CA THR A 80 -1.965 9.219 11.123 1.00 0.00 C ATOM 1212 C THR A 80 -2.609 8.323 12.190 1.00 0.00 C ATOM 1213 O THR A 80 -3.328 8.825 13.055 1.00 0.00 O ATOM 1214 CB THR A 80 -1.214 10.405 11.749 1.00 0.00 C ATOM 1215 OG1 THR A 80 -0.546 11.189 10.785 1.00 0.00 O ATOM 1216 CG2 THR A 80 -0.133 9.969 12.743 1.00 0.00 C ATOM 0 H THR A 80 -3.067 10.728 10.216 1.00 0.00 H new ATOM 0 HA THR A 80 -1.239 8.617 10.576 1.00 0.00 H new ATOM 0 HB THR A 80 -1.998 10.973 12.250 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.867 10.951 9.890 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.362 10.850 13.152 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.591 9.402 13.553 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.600 9.345 12.232 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.355 7.012 12.156 1.00 0.00 N ATOM 1225 CA GLY A 81 -2.898 6.077 13.139 1.00 0.00 C ATOM 1226 C GLY A 81 -4.359 5.707 12.871 1.00 0.00 C ATOM 1227 O GLY A 81 -5.051 5.241 13.783 1.00 0.00 O ATOM 0 H GLY A 81 -1.768 6.572 11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.294 5.170 13.141 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.817 6.516 14.133 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.860 5.907 11.645 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.087 5.273 11.160 1.00 0.00 C ATOM 1233 C ARG A 82 -5.899 3.755 11.031 1.00 0.00 C ATOM 1234 O ARG A 82 -4.828 3.231 11.353 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.479 5.921 9.824 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.183 7.277 9.944 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.504 7.246 10.713 1.00 0.00 C ATOM 1238 NE ARG A 82 -9.470 6.281 10.165 1.00 0.00 N ATOM 1239 CZ ARG A 82 -10.583 5.858 10.775 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.927 6.338 11.968 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -11.341 4.940 10.194 1.00 0.00 N ATOM 0 H ARG A 82 -4.419 6.519 10.958 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.896 5.426 11.874 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.580 6.047 9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.132 5.236 9.283 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.509 7.979 10.435 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.371 7.663 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.304 6.999 11.756 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.948 8.242 10.701 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.274 5.901 9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.340 7.035 12.426 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.778 6.009 12.424 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.075 4.559 9.286 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.191 4.614 10.655 1.00 0.00 H new ATOM 1255 N LYS A 83 -6.930 3.035 10.570 1.00 0.00 N ATOM 1256 CA LYS A 83 -6.890 1.584 10.408 1.00 0.00 C ATOM 1257 C LYS A 83 -7.384 1.237 9.014 1.00 0.00 C ATOM 1258 O LYS A 83 -8.592 1.146 8.803 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.713 0.852 11.481 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.288 1.179 12.916 1.00 0.00 C ATOM 1261 CD LYS A 83 -7.834 0.126 13.894 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.433 0.771 15.143 1.00 0.00 C ATOM 1263 NZ LYS A 83 -9.829 1.214 14.944 1.00 0.00 N ATOM 0 H LYS A 83 -7.821 3.451 10.298 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.861 1.249 10.534 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.765 1.108 11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.626 -0.223 11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.200 1.214 12.980 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.655 2.167 13.194 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.594 -0.475 13.395 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.031 -0.552 14.184 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.396 0.059 15.967 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.823 1.626 15.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.185 1.644 15.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.865 1.915 14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.421 0.396 14.694 1.00 0.00 H new ATOM 1277 N PHE A 84 -6.478 1.046 8.053 1.00 0.00 N ATOM 1278 CA PHE A 84 -6.865 0.974 6.630 1.00 0.00 C ATOM 1279 C PHE A 84 -7.234 -0.460 6.207 1.00 0.00 C ATOM 1280 O PHE A 84 -7.358 -0.772 5.027 1.00 0.00 O ATOM 1281 CB PHE A 84 -5.719 1.521 5.766 1.00 0.00 C ATOM 1282 CG PHE A 84 -5.588 3.020 5.563 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.011 3.957 6.524 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -4.984 3.481 4.378 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -5.805 5.328 6.300 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -4.836 4.852 4.126 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.222 5.776 5.104 1.00 0.00 C ATOM 0 H PHE A 84 -5.478 0.938 8.225 1.00 0.00 H new ATOM 0 HA PHE A 84 -7.756 1.584 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.784 1.167 6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.806 1.064 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.493 3.623 7.431 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.629 2.766 3.651 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.098 6.044 7.054 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.428 5.192 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.071 6.833 4.939 1.00 0.00 H new ATOM 1297 N ALA A 85 -7.434 -1.328 7.192 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.135 -2.594 7.100 1.00 0.00 C ATOM 1299 C ALA A 85 -8.598 -2.891 8.514 1.00 0.00 C ATOM 1300 O ALA A 85 -9.793 -2.816 8.809 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.257 -3.707 6.518 1.00 0.00 C ATOM 0 H ALA A 85 -7.087 -1.151 8.135 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.977 -2.539 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.829 -4.634 6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.933 -3.428 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.384 -3.852 7.154 1.00 0.00 H new ATOM 1307 N ASN A 86 -7.648 -3.145 9.421 1.00 0.00 N ATOM 1308 CA ASN A 86 -7.967 -3.503 10.804 1.00 0.00 C ATOM 1309 C ASN A 86 -6.925 -3.012 11.816 1.00 0.00 C ATOM 1310 O ASN A 86 -7.223 -2.947 13.006 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.137 -5.031 10.881 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.206 -5.456 11.885 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -9.162 -5.123 13.069 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.181 -6.221 11.438 1.00 0.00 N ATOM 0 H ASN A 86 -6.649 -3.109 9.219 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.893 -2.999 11.080 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.399 -5.413 9.894 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.185 -5.485 11.156 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.909 -6.543 12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.208 -6.491 10.455 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.716 -2.636 11.378 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.556 -2.404 12.253 1.00 0.00 C ATOM 1323 C ARG A 87 -4.019 -0.991 12.108 1.00 0.00 C ATOM 1324 O ARG A 87 -4.398 -0.281 11.182 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.448 -3.392 11.884 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.907 -4.841 12.085 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.841 -5.854 11.688 1.00 0.00 C ATOM 1328 NE ARG A 87 -1.793 -6.050 12.700 1.00 0.00 N ATOM 1329 CZ ARG A 87 -0.709 -6.805 12.482 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -0.534 -7.394 11.301 1.00 0.00 N ATOM 1331 NH2 ARG A 87 0.190 -6.970 13.444 1.00 0.00 N ATOM 0 H ARG A 87 -5.512 -2.482 10.391 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.877 -2.545 13.285 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.154 -3.242 10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.567 -3.199 12.495 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.174 -4.992 13.131 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.808 -5.018 11.497 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.322 -6.812 11.488 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.376 -5.530 10.757 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.896 -5.592 13.606 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.226 -7.270 10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.292 -7.969 11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.055 -6.522 14.350 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.016 -7.545 13.277 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.133 -0.593 13.019 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.615 0.767 13.102 1.00 0.00 C ATOM 1347 C VAL A 88 -1.731 1.054 11.896 1.00 0.00 C ATOM 1348 O VAL A 88 -0.665 0.447 11.752 1.00 0.00 O ATOM 1349 CB VAL A 88 -1.792 1.000 14.390 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -1.618 2.507 14.599 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -2.397 0.374 15.649 1.00 0.00 C ATOM 0 H VAL A 88 -2.751 -1.217 13.730 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.473 1.439 13.120 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.834 0.501 14.242 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.039 2.684 15.505 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.094 2.935 13.744 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.597 2.976 14.697 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.756 0.586 16.505 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.387 0.794 15.825 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.479 -0.705 15.516 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.162 1.980 11.049 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.387 2.495 9.934 1.00 0.00 C ATOM 1363 C VAL A 89 -0.217 3.335 10.457 1.00 0.00 C ATOM 1364 O VAL A 89 -0.317 3.990 11.497 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.356 3.297 9.041 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.679 4.127 7.944 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.367 2.322 8.426 1.00 0.00 C ATOM 0 H VAL A 89 -3.087 2.404 11.123 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.941 1.697 9.341 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.845 4.030 9.682 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.438 4.656 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.001 4.849 8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.116 3.467 7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.062 2.871 7.790 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.839 1.579 7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.920 1.822 9.221 1.00 0.00 H new ATOM 1377 N VAL A 90 0.871 3.367 9.688 1.00 0.00 N ATOM 1378 CA VAL A 90 1.927 4.368 9.791 1.00 0.00 C ATOM 1379 C VAL A 90 2.014 5.040 8.422 1.00 0.00 C ATOM 1380 O VAL A 90 1.928 4.352 7.403 1.00 0.00 O ATOM 1381 CB VAL A 90 3.255 3.717 10.225 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.410 4.730 10.243 1.00 0.00 C ATOM 1383 CG2 VAL A 90 3.145 3.093 11.621 1.00 0.00 C ATOM 0 H VAL A 90 1.045 2.677 8.957 1.00 0.00 H new ATOM 0 HA VAL A 90 1.710 5.114 10.556 1.00 0.00 H new ATOM 0 HB VAL A 90 3.464 2.941 9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.327 4.230 10.554 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.544 5.146 9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.179 5.533 10.943 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.099 2.643 11.895 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.887 3.865 12.345 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.370 2.326 11.617 1.00 0.00 H new ATOM 1393 N THR A 91 2.190 6.359 8.406 1.00 0.00 N ATOM 1394 CA THR A 91 2.234 7.218 7.229 1.00 0.00 C ATOM 1395 C THR A 91 3.628 7.831 7.127 1.00 0.00 C ATOM 1396 O THR A 91 4.099 8.399 8.117 1.00 0.00 O ATOM 1397 CB THR A 91 1.190 8.344 7.377 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.126 8.825 8.708 1.00 0.00 O ATOM 1399 CG2 THR A 91 -0.237 7.923 7.024 1.00 0.00 C ATOM 0 H THR A 91 2.313 6.888 9.269 1.00 0.00 H new ATOM 0 HA THR A 91 2.013 6.637 6.333 1.00 0.00 H new ATOM 0 HB THR A 91 1.535 9.105 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.029 8.859 9.087 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.909 8.771 7.154 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.272 7.588 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.549 7.109 7.679 1.00 0.00 H new ATOM 1407 N LYS A 92 4.291 7.780 5.971 1.00 0.00 N ATOM 1408 CA LYS A 92 5.423 8.653 5.664 1.00 0.00 C ATOM 1409 C LYS A 92 5.271 9.258 4.275 1.00 0.00 C ATOM 1410 O LYS A 92 4.378 8.883 3.527 1.00 0.00 O ATOM 1411 CB LYS A 92 6.759 7.904 5.839 1.00 0.00 C ATOM 1412 CG LYS A 92 7.332 8.068 7.249 1.00 0.00 C ATOM 1413 CD LYS A 92 7.829 9.506 7.521 1.00 0.00 C ATOM 1414 CE LYS A 92 8.226 9.757 8.982 1.00 0.00 C ATOM 1415 NZ LYS A 92 8.666 11.152 9.200 1.00 0.00 N ATOM 0 H LYS A 92 4.057 7.131 5.220 1.00 0.00 H new ATOM 0 HA LYS A 92 5.432 9.480 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.610 6.845 5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.480 8.275 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.568 7.806 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.157 7.369 7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.687 9.711 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.046 10.210 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.379 9.537 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.028 9.075 9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.926 11.282 10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.490 11.354 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.892 11.802 8.956 1.00 0.00 H new ATOM 1429 N TYR A 93 6.137 10.209 3.944 1.00 0.00 N ATOM 1430 CA TYR A 93 6.300 10.694 2.585 1.00 0.00 C ATOM 1431 C TYR A 93 7.236 9.730 1.861 1.00 0.00 C ATOM 1432 O TYR A 93 8.139 9.175 2.497 1.00 0.00 O ATOM 1433 CB TYR A 93 6.896 12.101 2.645 1.00 0.00 C ATOM 1434 CG TYR A 93 6.013 13.081 3.393 1.00 0.00 C ATOM 1435 CD1 TYR A 93 4.856 13.576 2.765 1.00 0.00 C ATOM 1436 CD2 TYR A 93 6.335 13.489 4.705 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.021 14.476 3.443 1.00 0.00 C ATOM 1438 CE2 TYR A 93 5.485 14.370 5.400 1.00 0.00 C ATOM 1439 CZ TYR A 93 4.314 14.855 4.772 1.00 0.00 C ATOM 1440 OH TYR A 93 3.440 15.652 5.442 1.00 0.00 O ATOM 0 H TYR A 93 6.749 10.667 4.619 1.00 0.00 H new ATOM 0 HA TYR A 93 5.351 10.742 2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.872 12.057 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.058 12.466 1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.611 13.263 1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.235 13.125 5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.151 14.881 2.947 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.726 14.674 6.408 1.00 0.00 H new ATOM 0 HH TYR A 93 3.780 15.824 6.345 1.00 0.00 H new ATOM 1450 N CYS A 94 7.041 9.549 0.556 1.00 0.00 N ATOM 1451 CA CYS A 94 7.824 8.647 -0.289 1.00 0.00 C ATOM 1452 C CYS A 94 8.444 9.432 -1.448 1.00 0.00 C ATOM 1453 O CYS A 94 8.555 10.657 -1.347 1.00 0.00 O ATOM 1454 CB CYS A 94 6.962 7.448 -0.711 1.00 0.00 C ATOM 1455 SG CYS A 94 7.863 5.941 -0.283 1.00 0.00 S ATOM 0 H CYS A 94 6.311 10.041 0.041 1.00 0.00 H new ATOM 0 HA CYS A 94 8.664 8.224 0.263 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.998 7.474 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.760 7.481 -1.782 1.00 0.00 H new ATOM 0 HG CYS A 94 7.216 4.906 -0.731 1.00 0.00 H new ATOM 1461 N ASP A 95 8.919 8.774 -2.508 1.00 0.00 N ATOM 1462 CA ASP A 95 9.385 9.468 -3.712 1.00 0.00 C ATOM 1463 C ASP A 95 8.419 9.140 -4.853 1.00 0.00 C ATOM 1464 O ASP A 95 7.971 7.996 -4.938 1.00 0.00 O ATOM 1465 CB ASP A 95 10.832 9.093 -4.109 1.00 0.00 C ATOM 1466 CG ASP A 95 11.615 8.316 -3.050 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.104 8.960 -2.091 1.00 0.00 O ATOM 1468 OD2 ASP A 95 11.760 7.072 -3.144 1.00 0.00 O ATOM 0 H ASP A 95 8.991 7.758 -2.557 1.00 0.00 H new ATOM 0 HA ASP A 95 9.401 10.538 -3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.799 8.499 -5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.377 10.008 -4.343 1.00 0.00 H new ATOM 1473 N PRO A 96 8.124 10.089 -5.760 1.00 0.00 N ATOM 1474 CA PRO A 96 7.286 9.832 -6.925 1.00 0.00 C ATOM 1475 C PRO A 96 8.070 9.149 -8.050 1.00 0.00 C ATOM 1476 O PRO A 96 7.491 8.407 -8.835 1.00 0.00 O ATOM 1477 CB PRO A 96 6.762 11.198 -7.370 1.00 0.00 C ATOM 1478 CG PRO A 96 7.829 12.168 -6.872 1.00 0.00 C ATOM 1479 CD PRO A 96 8.401 11.507 -5.626 1.00 0.00 C ATOM 0 HA PRO A 96 6.473 9.150 -6.678 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.646 11.250 -8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.787 11.415 -6.934 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.601 12.328 -7.625 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.401 13.144 -6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.473 11.689 -5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.940 11.911 -4.724 1.00 0.00 H new ATOM 1487 N ASP A 97 9.385 9.359 -8.157 1.00 0.00 N ATOM 1488 CA ASP A 97 10.154 8.760 -9.256 1.00 0.00 C ATOM 1489 C ASP A 97 10.036 7.241 -9.213 1.00 0.00 C ATOM 1490 O ASP A 97 9.673 6.592 -10.202 1.00 0.00 O ATOM 1491 CB ASP A 97 11.641 9.122 -9.187 1.00 0.00 C ATOM 1492 CG ASP A 97 12.233 9.262 -10.587 1.00 0.00 C ATOM 1493 OD1 ASP A 97 12.359 8.246 -11.310 1.00 0.00 O ATOM 1494 OD2 ASP A 97 12.505 10.422 -10.994 1.00 0.00 O ATOM 0 H ASP A 97 9.933 9.927 -7.511 1.00 0.00 H new ATOM 0 HA ASP A 97 9.737 9.157 -10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.767 10.056 -8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.181 8.353 -8.635 1.00 0.00 H new ATOM 1499 N SER A 98 10.298 6.706 -8.020 1.00 0.00 N ATOM 1500 CA SER A 98 10.234 5.304 -7.685 1.00 0.00 C ATOM 1501 C SER A 98 8.774 4.807 -7.655 1.00 0.00 C ATOM 1502 O SER A 98 8.546 3.611 -7.469 1.00 0.00 O ATOM 1503 CB SER A 98 10.915 5.118 -6.316 1.00 0.00 C ATOM 1504 OG SER A 98 10.389 6.045 -5.379 1.00 0.00 O ATOM 0 H SER A 98 10.575 7.281 -7.225 1.00 0.00 H new ATOM 0 HA SER A 98 10.749 4.712 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.759 4.100 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.991 5.260 -6.414 1.00 0.00 H new ATOM 0 HG SER A 98 11.065 6.240 -4.697 1.00 0.00 H new ATOM 1510 N TYR A 99 7.787 5.709 -7.780 1.00 0.00 N ATOM 1511 CA TYR A 99 6.359 5.426 -7.775 1.00 0.00 C ATOM 1512 C TYR A 99 5.855 5.111 -9.173 1.00 0.00 C ATOM 1513 O TYR A 99 5.072 4.174 -9.347 1.00 0.00 O ATOM 1514 CB TYR A 99 5.568 6.607 -7.184 1.00 0.00 C ATOM 1515 CG TYR A 99 4.126 6.284 -6.884 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.170 6.233 -7.916 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.743 6.020 -5.564 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.855 5.821 -7.650 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.423 5.641 -5.296 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.487 5.477 -6.334 1.00 0.00 C ATOM 1521 OH TYR A 99 0.248 4.986 -6.062 1.00 0.00 O ATOM 0 H TYR A 99 7.983 6.704 -7.893 1.00 0.00 H new ATOM 0 HA TYR A 99 6.202 4.549 -7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.056 6.936 -6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.606 7.443 -7.882 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.451 6.513 -8.921 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.459 6.108 -4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.130 5.768 -8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.117 5.471 -4.274 1.00 0.00 H new ATOM 0 HH TYR A 99 0.236 4.612 -5.156 1.00 0.00 H new ATOM 1531 N HIS A 100 6.257 5.923 -10.150 1.00 0.00 N ATOM 1532 CA HIS A 100 5.870 5.737 -11.540 1.00 0.00 C ATOM 1533 C HIS A 100 6.443 4.422 -12.067 1.00 0.00 C ATOM 1534 O HIS A 100 5.778 3.671 -12.793 1.00 0.00 O ATOM 1535 CB HIS A 100 6.442 6.884 -12.373 1.00 0.00 C ATOM 1536 CG HIS A 100 6.236 8.271 -11.838 1.00 0.00 C ATOM 1537 ND1 HIS A 100 7.251 9.188 -11.742 1.00 0.00 N ATOM 1538 CD2 HIS A 100 5.091 8.840 -11.339 1.00 0.00 C ATOM 1539 CE1 HIS A 100 6.736 10.299 -11.208 1.00 0.00 C ATOM 1540 NE2 HIS A 100 5.418 10.159 -10.990 1.00 0.00 N ATOM 0 H HIS A 100 6.862 6.729 -9.995 1.00 0.00 H new ATOM 0 HA HIS A 100 4.782 5.718 -11.610 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.513 6.719 -12.489 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.002 6.834 -13.369 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.127 8.365 -11.235 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.303 11.190 -10.982 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.779 10.873 -10.639 1.00 0.00 H new ATOM 1548 N ARG A 101 7.718 4.199 -11.738 1.00 0.00 N ATOM 1549 CA ARG A 101 8.476 2.999 -12.029 1.00 0.00 C ATOM 1550 C ARG A 101 8.084 1.910 -11.041 1.00 0.00 C ATOM 1551 O ARG A 101 7.399 2.155 -10.054 1.00 0.00 O ATOM 1552 CB ARG A 101 9.978 3.340 -11.921 1.00 0.00 C ATOM 1553 CG ARG A 101 10.473 4.203 -13.094 1.00 0.00 C ATOM 1554 CD ARG A 101 10.619 3.339 -14.347 1.00 0.00 C ATOM 1555 NE ARG A 101 10.968 4.123 -15.541 1.00 0.00 N ATOM 1556 CZ ARG A 101 11.857 3.761 -16.472 1.00 0.00 C ATOM 1557 NH1 ARG A 101 12.833 2.894 -16.221 1.00 0.00 N ATOM 1558 NH2 ARG A 101 11.691 4.221 -17.702 1.00 0.00 N ATOM 0 H ARG A 101 8.270 4.893 -11.235 1.00 0.00 H new ATOM 0 HA ARG A 101 8.266 2.635 -13.035 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.161 3.867 -10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.555 2.416 -11.885 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.771 5.016 -13.281 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.430 4.660 -12.843 1.00 0.00 H new ATOM 0 HD2 ARG A 101 11.387 2.585 -14.176 1.00 0.00 H new ATOM 0 HD3 ARG A 101 9.685 2.807 -14.527 1.00 0.00 H new ATOM 0 HE ARG A 101 10.493 5.016 -15.670 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.922 2.481 -15.293 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.493 2.642 -16.957 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.903 4.832 -17.916 1.00 0.00 H new ATOM 0 HH22 ARG A 101 12.351 3.964 -18.436 1.00 0.00 H new ATOM 1572 N ARG A 102 8.590 0.705 -11.279 1.00 0.00 N ATOM 1573 CA ARG A 102 8.620 -0.376 -10.321 1.00 0.00 C ATOM 1574 C ARG A 102 10.055 -0.439 -9.836 1.00 0.00 C ATOM 1575 O ARG A 102 10.833 -1.289 -10.277 1.00 0.00 O ATOM 1576 CB ARG A 102 8.111 -1.673 -10.961 1.00 0.00 C ATOM 1577 CG ARG A 102 7.832 -2.702 -9.884 1.00 0.00 C ATOM 1578 CD ARG A 102 7.661 -4.062 -10.525 1.00 0.00 C ATOM 1579 NE ARG A 102 8.903 -4.607 -11.089 1.00 0.00 N ATOM 1580 CZ ARG A 102 9.005 -5.690 -11.863 1.00 0.00 C ATOM 1581 NH1 ARG A 102 7.913 -6.361 -12.223 1.00 0.00 N ATOM 1582 NH2 ARG A 102 10.208 -6.076 -12.258 1.00 0.00 N ATOM 0 H ARG A 102 9.003 0.453 -12.177 1.00 0.00 H new ATOM 0 HA ARG A 102 7.956 -0.220 -9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.204 -1.476 -11.532 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.851 -2.058 -11.662 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.652 -2.726 -9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.932 -2.432 -9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.273 -4.758 -9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.914 -3.990 -11.315 1.00 0.00 H new ATOM 0 HE ARG A 102 9.767 -4.112 -10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.995 -6.048 -11.907 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.994 -7.188 -12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.033 -5.549 -11.971 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.310 -6.900 -12.850 1.00 0.00 H new ATOM 1596 N ASP A 103 10.426 0.548 -9.030 1.00 0.00 N ATOM 1597 CA ASP A 103 11.758 0.662 -8.448 1.00 0.00 C ATOM 1598 C ASP A 103 11.650 0.728 -6.929 1.00 0.00 C ATOM 1599 O ASP A 103 11.982 1.728 -6.297 1.00 0.00 O ATOM 1600 CB ASP A 103 12.537 1.847 -9.037 1.00 0.00 C ATOM 1601 CG ASP A 103 14.028 1.741 -8.695 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.542 0.613 -8.476 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.709 2.787 -8.741 1.00 0.00 O ATOM 0 H ASP A 103 9.799 1.305 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 103 12.334 -0.227 -8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.408 1.871 -10.119 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.135 2.782 -8.647 1.00 0.00 H new ATOM 1608 N PHE A 104 11.113 -0.341 -6.352 1.00 0.00 N ATOM 1609 CA PHE A 104 10.734 -0.465 -4.949 1.00 0.00 C ATOM 1610 C PHE A 104 11.938 -0.927 -4.124 1.00 0.00 C ATOM 1611 O PHE A 104 13.085 -0.772 -4.552 1.00 0.00 O ATOM 1612 CB PHE A 104 9.466 -1.334 -4.796 1.00 0.00 C ATOM 1613 CG PHE A 104 8.322 -1.000 -5.746 1.00 0.00 C ATOM 1614 CD1 PHE A 104 8.126 0.314 -6.229 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.439 -2.018 -6.155 1.00 0.00 C ATOM 1616 CE1 PHE A 104 7.106 0.586 -7.154 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.404 -1.736 -7.067 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.253 -0.439 -7.584 1.00 0.00 C ATOM 0 H PHE A 104 10.920 -1.192 -6.880 1.00 0.00 H new ATOM 0 HA PHE A 104 10.453 0.507 -4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.743 -2.378 -4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 104 9.104 -1.240 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.765 1.113 -5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.556 -3.019 -5.767 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.978 1.588 -7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.725 -2.519 -7.370 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.482 -0.232 -8.311 1.00 0.00 H new