USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0193 (180deg=-0.492) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.177) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= -0.156 (180deg=-0.924) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -179:sc= -0.352 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -0.299 (180deg=-0.947) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= -0.853 (180deg=-2.34!) USER MOD Single : A 43 HIS : no HD1:sc= -0.465 X(o=-0.46,f=-0.054) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 91:sc= 0.354 USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.0387 (180deg=-0.344) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.27! C(o=-2.3!,f=-7.9!) USER MOD Single : A 63 GLN :FLIP amide:sc= -4.22! C(o=-5.5!,f=-4.2!) USER MOD Single : A 67 SER OG : rot 66:sc= 1.19 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.76 USER MOD Single : A 76 THR OG1 : rot -67:sc= -0.974 USER MOD Single : A 78 GLN : amide:sc= -2.68! C(o=-2.7!,f=-4.2!) USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= 0.0887 (180deg=0.054) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.381 F(o=-3.1!,f=-0.38) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 135:sc= 1.11 USER MOD Single : A 93 ASN :FLIP amide:sc= -1.47 F(o=-3.5!,f=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= -9.78! (180deg=-12.3!) USER MOD Single : A 96 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.364) USER MOD Single : A 100 THR OG1 : rot 79:sc= 0.35 USER MOD Single : A 102 ASN : amide:sc= -0.332 K(o=-0.33,f=-1.2) USER MOD Single : B 1 PHE N :NH3+ -148:sc= 0.637 (180deg=0.163) USER MOD Single : B 5 TYR OH : rot 14:sc= -4.42! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -0.886 X(o=-0.89,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.447 -2.424 8.189 1.00 0.73 N ATOM 2 CA MET A 1 -6.299 -2.585 9.127 1.00 0.31 C ATOM 3 C MET A 1 -4.986 -2.460 8.352 1.00 0.24 C ATOM 4 O MET A 1 -4.914 -2.779 7.182 1.00 0.21 O ATOM 5 CB MET A 1 -6.373 -3.960 9.792 1.00 0.70 C ATOM 6 CG MET A 1 -7.777 -4.178 10.355 1.00 1.55 C ATOM 7 SD MET A 1 -7.765 -5.599 11.475 1.00 2.25 S ATOM 8 CE MET A 1 -9.201 -5.118 12.468 1.00 2.89 C ATOM 0 H1 MET A 1 -8.312 -2.221 8.730 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.254 -1.638 7.536 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.577 -3.301 7.646 1.00 0.73 H new ATOM 0 HA MET A 1 -6.343 -1.810 9.892 1.00 0.31 H new ATOM 0 HB2 MET A 1 -6.135 -4.739 9.068 1.00 0.70 H new ATOM 0 HB3 MET A 1 -5.634 -4.030 10.590 1.00 0.70 H new ATOM 0 HG2 MET A 1 -8.110 -3.286 10.886 1.00 1.55 H new ATOM 0 HG3 MET A 1 -8.484 -4.348 9.543 1.00 1.55 H new ATOM 0 HE1 MET A 1 -9.380 -5.869 13.237 1.00 2.89 H new ATOM 0 HE2 MET A 1 -9.011 -4.154 12.940 1.00 2.89 H new ATOM 0 HE3 MET A 1 -10.078 -5.041 11.826 1.00 2.89 H new ATOM 20 N VAL A 2 -3.947 -1.991 8.993 1.00 0.24 N ATOM 21 CA VAL A 2 -2.636 -1.838 8.293 1.00 0.19 C ATOM 22 C VAL A 2 -1.764 -3.077 8.540 1.00 0.22 C ATOM 23 O VAL A 2 -1.981 -3.826 9.472 1.00 0.28 O ATOM 24 CB VAL A 2 -1.925 -0.590 8.826 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.504 -0.523 8.265 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.697 0.658 8.396 1.00 0.30 C ATOM 0 H VAL A 2 -3.950 -1.707 9.973 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.806 -1.734 7.221 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.882 -0.640 9.914 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.003 0.366 8.647 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.050 -1.411 8.570 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.544 -0.477 7.177 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.192 1.547 8.775 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.741 0.702 7.308 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.709 0.616 8.799 1.00 0.30 H new ATOM 36 N LYS A 3 -0.775 -3.294 7.710 1.00 0.18 N ATOM 37 CA LYS A 3 0.120 -4.478 7.891 1.00 0.22 C ATOM 38 C LYS A 3 1.479 -4.190 7.249 1.00 0.16 C ATOM 39 O LYS A 3 1.565 -3.839 6.089 1.00 0.13 O ATOM 40 CB LYS A 3 -0.493 -5.712 7.221 1.00 0.26 C ATOM 41 CG LYS A 3 0.256 -6.960 7.693 1.00 0.34 C ATOM 42 CD LYS A 3 -0.402 -8.212 7.109 1.00 0.81 C ATOM 43 CE LYS A 3 0.357 -9.453 7.583 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.319 -10.678 7.070 1.00 1.97 N ATOM 0 H LYS A 3 -0.548 -2.700 6.912 1.00 0.18 H new ATOM 0 HA LYS A 3 0.241 -4.668 8.957 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.551 -5.790 7.472 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.429 -5.622 6.137 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.300 -6.908 7.382 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.250 -7.009 8.782 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.445 -8.268 7.422 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.398 -8.164 6.020 1.00 0.81 H new ATOM 0 HE2 LYS A 3 1.387 -9.419 7.229 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.394 -9.475 8.672 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.056 -11.514 7.563 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.343 -10.606 7.239 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -0.142 -10.770 6.049 1.00 1.97 H new ATOM 58 N GLN A 4 2.543 -4.336 7.994 1.00 0.18 N ATOM 59 CA GLN A 4 3.901 -4.068 7.430 1.00 0.15 C ATOM 60 C GLN A 4 4.473 -5.355 6.824 1.00 0.13 C ATOM 61 O GLN A 4 4.394 -6.420 7.403 1.00 0.14 O ATOM 62 CB GLN A 4 4.820 -3.565 8.556 1.00 0.20 C ATOM 63 CG GLN A 4 6.295 -3.650 8.128 1.00 0.21 C ATOM 64 CD GLN A 4 7.145 -2.744 9.023 1.00 0.27 C ATOM 65 OE1 GLN A 4 7.073 -2.826 10.233 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.955 -1.879 8.477 1.00 0.98 N ATOM 0 H GLN A 4 2.531 -4.630 8.971 1.00 0.18 H new ATOM 0 HA GLN A 4 3.833 -3.311 6.649 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.567 -2.535 8.807 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.662 -4.160 9.455 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.645 -4.680 8.199 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.399 -3.349 7.086 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.017 -1.809 7.461 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.526 -1.273 9.066 1.00 0.98 H new ATOM 75 N ILE A 5 5.067 -5.249 5.663 1.00 0.10 N ATOM 76 CA ILE A 5 5.679 -6.438 4.996 1.00 0.10 C ATOM 77 C ILE A 5 7.199 -6.321 5.113 1.00 0.10 C ATOM 78 O ILE A 5 7.807 -5.471 4.492 1.00 0.11 O ATOM 79 CB ILE A 5 5.298 -6.448 3.511 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.805 -6.097 3.319 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.610 -7.817 2.901 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.888 -7.011 4.150 1.00 0.19 C ATOM 0 H ILE A 5 5.155 -4.377 5.142 1.00 0.10 H new ATOM 0 HA ILE A 5 5.323 -7.354 5.468 1.00 0.10 H new ATOM 0 HB ILE A 5 5.888 -5.689 2.998 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.637 -5.058 3.604 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.545 -6.184 2.264 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.336 -7.816 1.846 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.675 -8.025 3.000 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.040 -8.586 3.423 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.848 -6.730 3.985 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.036 -8.047 3.847 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.130 -6.904 5.208 1.00 0.19 H new ATOM 94 N GLU A 6 7.819 -7.155 5.901 1.00 0.11 N ATOM 95 CA GLU A 6 9.302 -7.080 6.060 1.00 0.14 C ATOM 96 C GLU A 6 9.968 -8.164 5.208 1.00 0.14 C ATOM 97 O GLU A 6 11.170 -8.180 5.038 1.00 0.17 O ATOM 98 CB GLU A 6 9.655 -7.301 7.527 1.00 0.18 C ATOM 99 CG GLU A 6 8.751 -6.438 8.409 1.00 0.31 C ATOM 100 CD GLU A 6 9.164 -6.601 9.874 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.886 -7.541 10.163 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.754 -5.783 10.679 1.00 1.96 O ATOM 0 H GLU A 6 7.363 -7.888 6.444 1.00 0.11 H new ATOM 0 HA GLU A 6 9.656 -6.101 5.736 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.535 -8.353 7.786 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.700 -7.047 7.702 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.827 -5.392 8.113 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.709 -6.732 8.279 1.00 0.31 H new ATOM 109 N SER A 7 9.197 -9.072 4.668 1.00 0.13 N ATOM 110 CA SER A 7 9.793 -10.152 3.825 1.00 0.15 C ATOM 111 C SER A 7 8.758 -10.646 2.812 1.00 0.14 C ATOM 112 O SER A 7 7.567 -10.573 3.038 1.00 0.12 O ATOM 113 CB SER A 7 10.232 -11.310 4.716 1.00 0.20 C ATOM 114 OG SER A 7 9.196 -11.612 5.641 1.00 0.23 O ATOM 0 H SER A 7 8.183 -9.113 4.774 1.00 0.13 H new ATOM 0 HA SER A 7 10.658 -9.758 3.291 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.459 -12.186 4.108 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.146 -11.047 5.249 1.00 0.20 H new ATOM 0 HG SER A 7 9.475 -12.357 6.213 1.00 0.23 H new ATOM 120 N LYS A 8 9.207 -11.145 1.692 1.00 0.15 N ATOM 121 CA LYS A 8 8.256 -11.641 0.656 1.00 0.14 C ATOM 122 C LYS A 8 7.264 -12.625 1.283 1.00 0.14 C ATOM 123 O LYS A 8 6.149 -12.771 0.824 1.00 0.13 O ATOM 124 CB LYS A 8 9.038 -12.339 -0.461 1.00 0.17 C ATOM 125 CG LYS A 8 8.157 -12.459 -1.706 1.00 0.21 C ATOM 126 CD LYS A 8 8.812 -13.407 -2.710 1.00 0.22 C ATOM 127 CE LYS A 8 7.860 -13.646 -3.883 1.00 1.06 C ATOM 128 NZ LYS A 8 6.584 -14.228 -3.377 1.00 1.90 N ATOM 0 H LYS A 8 10.194 -11.231 1.449 1.00 0.15 H new ATOM 0 HA LYS A 8 7.704 -10.797 0.243 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.940 -11.774 -0.695 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.357 -13.328 -0.132 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.170 -12.831 -1.431 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.013 -11.478 -2.158 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.749 -12.982 -3.069 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.056 -14.353 -2.227 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.664 -12.708 -4.403 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.319 -14.321 -4.606 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 6.133 -14.783 -4.131 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.782 -14.845 -2.564 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 5.946 -13.462 -3.082 1.00 1.90 H new ATOM 142 N THR A 9 7.658 -13.303 2.325 1.00 0.16 N ATOM 143 CA THR A 9 6.732 -14.275 2.972 1.00 0.18 C ATOM 144 C THR A 9 5.469 -13.550 3.441 1.00 0.16 C ATOM 145 O THR A 9 4.364 -14.021 3.259 1.00 0.17 O ATOM 146 CB THR A 9 7.426 -14.914 4.171 1.00 0.21 C ATOM 147 OG1 THR A 9 8.718 -15.364 3.787 1.00 0.24 O ATOM 148 CG2 THR A 9 6.597 -16.096 4.676 1.00 0.25 C ATOM 0 H THR A 9 8.579 -13.227 2.756 1.00 0.16 H new ATOM 0 HA THR A 9 6.458 -15.047 2.253 1.00 0.18 H new ATOM 0 HB THR A 9 7.522 -14.177 4.969 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.164 -15.773 4.558 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.095 -16.550 5.532 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.609 -15.746 4.975 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.495 -16.835 3.881 1.00 0.25 H new ATOM 156 N ALA A 10 5.628 -12.408 4.048 1.00 0.16 N ATOM 157 CA ALA A 10 4.446 -11.643 4.538 1.00 0.17 C ATOM 158 C ALA A 10 3.687 -11.035 3.351 1.00 0.15 C ATOM 159 O ALA A 10 2.508 -10.755 3.438 1.00 0.17 O ATOM 160 CB ALA A 10 4.924 -10.530 5.480 1.00 0.20 C ATOM 0 H ALA A 10 6.531 -11.968 4.227 1.00 0.16 H new ATOM 0 HA ALA A 10 3.775 -12.313 5.076 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.065 -9.966 5.842 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.452 -10.971 6.326 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.596 -9.861 4.942 1.00 0.20 H new ATOM 166 N PHE A 11 4.351 -10.819 2.247 1.00 0.12 N ATOM 167 CA PHE A 11 3.661 -10.218 1.068 1.00 0.11 C ATOM 168 C PHE A 11 2.494 -11.101 0.629 1.00 0.13 C ATOM 169 O PHE A 11 1.345 -10.729 0.751 1.00 0.16 O ATOM 170 CB PHE A 11 4.643 -10.077 -0.096 1.00 0.10 C ATOM 171 CG PHE A 11 3.920 -9.485 -1.287 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.500 -8.141 -1.255 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.666 -10.274 -2.427 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.826 -7.587 -2.360 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.992 -9.718 -3.532 1.00 0.18 C ATOM 176 CZ PHE A 11 2.573 -8.375 -3.498 1.00 0.21 C ATOM 0 H PHE A 11 5.339 -11.032 2.110 1.00 0.12 H new ATOM 0 HA PHE A 11 3.284 -9.236 1.354 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.478 -9.438 0.192 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.060 -11.050 -0.355 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.695 -7.535 -0.382 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.988 -11.305 -2.453 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.503 -6.557 -2.334 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.797 -10.323 -4.405 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.057 -7.949 -4.346 1.00 0.21 H new ATOM 186 N GLN A 12 2.777 -12.260 0.106 1.00 0.15 N ATOM 187 CA GLN A 12 1.678 -13.154 -0.355 1.00 0.19 C ATOM 188 C GLN A 12 0.689 -13.379 0.787 1.00 0.17 C ATOM 189 O GLN A 12 -0.511 -13.350 0.597 1.00 0.16 O ATOM 190 CB GLN A 12 2.262 -14.498 -0.796 1.00 0.24 C ATOM 191 CG GLN A 12 3.280 -14.271 -1.915 1.00 1.21 C ATOM 192 CD GLN A 12 3.723 -15.620 -2.485 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.215 -16.060 -3.497 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.654 -16.299 -1.874 1.00 2.47 N ATOM 0 H GLN A 12 3.720 -12.627 -0.022 1.00 0.15 H new ATOM 0 HA GLN A 12 1.162 -12.689 -1.195 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.740 -14.994 0.049 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.465 -15.156 -1.143 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.840 -13.659 -2.702 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.142 -13.726 -1.531 1.00 1.21 H new ATOM 0 HE21 GLN A 12 5.080 -15.929 -1.024 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.956 -17.200 -2.246 1.00 2.47 H new ATOM 203 N GLU A 13 1.179 -13.606 1.970 1.00 0.19 N ATOM 204 CA GLU A 13 0.269 -13.835 3.121 1.00 0.20 C ATOM 205 C GLU A 13 -0.635 -12.615 3.328 1.00 0.18 C ATOM 206 O GLU A 13 -1.791 -12.744 3.678 1.00 0.19 O ATOM 207 CB GLU A 13 1.103 -14.073 4.376 1.00 0.25 C ATOM 208 CG GLU A 13 1.734 -15.466 4.320 1.00 0.30 C ATOM 209 CD GLU A 13 0.660 -16.527 4.565 1.00 1.29 C ATOM 210 OE1 GLU A 13 0.354 -16.778 5.719 1.00 2.10 O ATOM 211 OE2 GLU A 13 0.163 -17.074 3.593 1.00 2.03 O ATOM 0 H GLU A 13 2.174 -13.643 2.190 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.355 -14.706 2.921 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.881 -13.314 4.457 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.476 -13.983 5.263 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.202 -15.625 3.348 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.520 -15.550 5.070 1.00 0.30 H new ATOM 218 N ALA A 14 -0.122 -11.433 3.118 1.00 0.18 N ATOM 219 CA ALA A 14 -0.962 -10.214 3.310 1.00 0.18 C ATOM 220 C ALA A 14 -2.161 -10.266 2.354 1.00 0.18 C ATOM 221 O ALA A 14 -3.290 -10.037 2.741 1.00 0.19 O ATOM 222 CB ALA A 14 -0.123 -8.969 3.013 1.00 0.20 C ATOM 0 H ALA A 14 0.839 -11.258 2.823 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.320 -10.174 4.339 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.734 -8.077 3.152 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.730 -8.935 3.691 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.233 -9.008 1.984 1.00 0.20 H new ATOM 228 N LEU A 15 -1.916 -10.569 1.108 1.00 0.17 N ATOM 229 CA LEU A 15 -3.026 -10.645 0.107 1.00 0.18 C ATOM 230 C LEU A 15 -3.981 -11.780 0.483 1.00 0.18 C ATOM 231 O LEU A 15 -5.187 -11.635 0.422 1.00 0.18 O ATOM 232 CB LEU A 15 -2.436 -10.907 -1.284 1.00 0.19 C ATOM 233 CG LEU A 15 -1.153 -10.091 -1.467 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.656 -10.242 -2.905 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.442 -8.615 -1.186 1.00 0.62 C ATOM 0 H LEU A 15 -0.988 -10.769 0.735 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.575 -9.703 0.099 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.222 -11.969 -1.404 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.161 -10.639 -2.053 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.392 -10.452 -0.776 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.257 -9.662 -3.037 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.451 -11.293 -3.111 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.419 -9.879 -3.594 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.529 -8.034 -1.316 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.203 -8.255 -1.878 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.800 -8.503 -0.163 1.00 0.62 H new ATOM 247 N ASP A 16 -3.455 -12.910 0.864 1.00 0.19 N ATOM 248 CA ASP A 16 -4.334 -14.053 1.237 1.00 0.21 C ATOM 249 C ASP A 16 -5.164 -13.687 2.469 1.00 0.20 C ATOM 250 O ASP A 16 -6.333 -14.007 2.559 1.00 0.20 O ATOM 251 CB ASP A 16 -3.469 -15.276 1.548 1.00 0.24 C ATOM 252 CG ASP A 16 -4.369 -16.478 1.841 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.936 -16.520 2.921 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.475 -17.337 0.981 1.00 1.07 O ATOM 0 H ASP A 16 -2.454 -13.092 0.933 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.004 -14.280 0.408 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.815 -15.496 0.704 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.827 -15.072 2.405 1.00 0.24 H new ATOM 259 N ALA A 17 -4.570 -13.025 3.425 1.00 0.22 N ATOM 260 CA ALA A 17 -5.329 -12.649 4.652 1.00 0.24 C ATOM 261 C ALA A 17 -6.195 -11.416 4.376 1.00 0.21 C ATOM 262 O ALA A 17 -7.082 -11.087 5.139 1.00 0.22 O ATOM 263 CB ALA A 17 -4.344 -12.336 5.781 1.00 0.30 C ATOM 0 H ALA A 17 -3.594 -12.729 3.410 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.973 -13.479 4.943 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.896 -12.061 6.680 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.733 -13.215 5.985 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.700 -11.509 5.483 1.00 0.30 H new ATOM 269 N ALA A 18 -5.946 -10.728 3.295 1.00 0.21 N ATOM 270 CA ALA A 18 -6.758 -9.516 2.979 1.00 0.22 C ATOM 271 C ALA A 18 -8.188 -9.928 2.625 1.00 0.21 C ATOM 272 O ALA A 18 -9.072 -9.101 2.518 1.00 0.24 O ATOM 273 CB ALA A 18 -6.132 -8.781 1.792 1.00 0.23 C ATOM 0 H ALA A 18 -5.217 -10.951 2.617 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.778 -8.859 3.849 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.723 -7.895 1.559 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.115 -8.482 2.045 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.111 -9.441 0.925 1.00 0.23 H new ATOM 279 N GLY A 19 -8.425 -11.197 2.442 1.00 0.22 N ATOM 280 CA GLY A 19 -9.801 -11.652 2.094 1.00 0.24 C ATOM 281 C GLY A 19 -10.093 -11.319 0.631 1.00 0.20 C ATOM 282 O GLY A 19 -9.501 -11.880 -0.271 1.00 0.28 O ATOM 0 H GLY A 19 -7.728 -11.938 2.518 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.893 -12.725 2.259 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.531 -11.166 2.741 1.00 0.24 H new ATOM 286 N ASP A 20 -11.001 -10.408 0.386 1.00 0.13 N ATOM 287 CA ASP A 20 -11.338 -10.031 -1.023 1.00 0.18 C ATOM 288 C ASP A 20 -11.538 -8.516 -1.112 1.00 0.15 C ATOM 289 O ASP A 20 -11.880 -7.989 -2.152 1.00 0.22 O ATOM 290 CB ASP A 20 -12.626 -10.742 -1.446 1.00 0.26 C ATOM 291 CG ASP A 20 -12.492 -12.244 -1.185 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.497 -12.812 -1.605 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.387 -12.801 -0.570 1.00 2.19 O ATOM 0 H ASP A 20 -11.526 -9.907 1.103 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.524 -10.329 -1.684 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.474 -10.340 -0.891 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.822 -10.562 -2.503 1.00 0.26 H new ATOM 298 N LYS A 21 -11.322 -7.805 -0.035 1.00 0.12 N ATOM 299 CA LYS A 21 -11.495 -6.327 -0.078 1.00 0.19 C ATOM 300 C LYS A 21 -10.387 -5.722 -0.929 1.00 0.15 C ATOM 301 O LYS A 21 -9.465 -6.398 -1.337 1.00 0.15 O ATOM 302 CB LYS A 21 -11.408 -5.761 1.339 1.00 0.27 C ATOM 303 CG LYS A 21 -12.727 -6.011 2.068 1.00 0.29 C ATOM 304 CD LYS A 21 -12.522 -5.786 3.568 1.00 0.30 C ATOM 305 CE LYS A 21 -13.876 -5.749 4.307 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.828 -6.695 5.460 1.00 1.90 N ATOM 0 H LYS A 21 -11.035 -8.184 0.867 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.467 -6.084 -0.507 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.586 -6.230 1.880 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.197 -4.692 1.303 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.499 -5.341 1.689 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.071 -7.029 1.884 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.901 -6.582 3.978 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.988 -4.849 3.730 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.086 -4.739 4.658 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.683 -6.024 3.628 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.738 -6.675 5.963 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.646 -7.658 5.112 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.067 -6.412 6.110 1.00 1.90 H new ATOM 320 N LEU A 22 -10.463 -4.452 -1.198 1.00 0.13 N ATOM 321 CA LEU A 22 -9.403 -3.819 -2.017 1.00 0.11 C ATOM 322 C LEU A 22 -8.086 -3.890 -1.226 1.00 0.10 C ATOM 323 O LEU A 22 -8.092 -4.081 -0.026 1.00 0.11 O ATOM 324 CB LEU A 22 -9.800 -2.350 -2.295 1.00 0.12 C ATOM 325 CG LEU A 22 -9.527 -1.946 -3.754 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.807 -0.449 -3.904 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.066 -2.219 -4.139 1.00 0.11 C ATOM 0 H LEU A 22 -11.209 -3.830 -0.888 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.279 -4.331 -2.971 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.858 -2.212 -2.072 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.245 -1.692 -1.627 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.172 -2.533 -4.408 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.618 -0.145 -4.934 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.848 -0.246 -3.651 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.155 0.112 -3.235 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.902 -1.924 -5.175 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.405 -1.645 -3.489 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.853 -3.282 -4.026 1.00 0.11 H new ATOM 339 N VAL A 23 -6.962 -3.736 -1.875 1.00 0.08 N ATOM 340 CA VAL A 23 -5.661 -3.791 -1.139 1.00 0.09 C ATOM 341 C VAL A 23 -4.677 -2.805 -1.771 1.00 0.08 C ATOM 342 O VAL A 23 -4.124 -3.056 -2.822 1.00 0.09 O ATOM 343 CB VAL A 23 -5.088 -5.209 -1.213 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.969 -5.363 -0.182 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.196 -6.222 -0.913 1.00 0.10 C ATOM 0 H VAL A 23 -6.887 -3.575 -2.879 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.823 -3.523 -0.095 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.690 -5.387 -2.212 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.562 -6.373 -0.235 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.179 -4.642 -0.392 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.367 -5.185 0.817 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.789 -7.232 -0.965 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.593 -6.042 0.086 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.996 -6.114 -1.646 1.00 0.10 H new ATOM 355 N VAL A 24 -4.452 -1.680 -1.132 1.00 0.08 N ATOM 356 CA VAL A 24 -3.501 -0.665 -1.683 1.00 0.08 C ATOM 357 C VAL A 24 -2.186 -0.746 -0.909 1.00 0.08 C ATOM 358 O VAL A 24 -2.165 -0.719 0.307 1.00 0.08 O ATOM 359 CB VAL A 24 -4.109 0.734 -1.550 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.363 1.713 -2.460 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.583 0.688 -1.956 1.00 0.09 C ATOM 0 H VAL A 24 -4.890 -1.422 -0.248 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.312 -0.865 -2.738 1.00 0.08 H new ATOM 0 HB VAL A 24 -4.022 1.066 -0.516 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.800 2.707 -2.361 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.312 1.748 -2.172 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.445 1.382 -3.495 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -6.018 1.683 -1.862 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.665 0.352 -2.990 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.118 -0.004 -1.306 1.00 0.09 H new ATOM 371 N VAL A 25 -1.089 -0.864 -1.610 1.00 0.09 N ATOM 372 CA VAL A 25 0.247 -0.970 -0.943 1.00 0.09 C ATOM 373 C VAL A 25 1.001 0.345 -1.099 1.00 0.10 C ATOM 374 O VAL A 25 0.983 0.960 -2.146 1.00 0.17 O ATOM 375 CB VAL A 25 1.061 -2.085 -1.614 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.238 -2.473 -0.717 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.175 -3.311 -1.848 1.00 0.09 C ATOM 0 H VAL A 25 -1.060 -0.892 -2.629 1.00 0.09 H new ATOM 0 HA VAL A 25 0.105 -1.193 0.114 1.00 0.09 H new ATOM 0 HB VAL A 25 1.435 -1.724 -2.572 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.814 -3.265 -1.195 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.877 -1.604 -0.559 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.863 -2.827 0.243 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.760 -4.097 -2.324 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.207 -3.671 -0.893 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.660 -3.039 -2.494 1.00 0.09 H new ATOM 387 N ASP A 26 1.679 0.770 -0.067 1.00 0.08 N ATOM 388 CA ASP A 26 2.461 2.040 -0.133 1.00 0.08 C ATOM 389 C ASP A 26 3.951 1.708 -0.065 1.00 0.08 C ATOM 390 O ASP A 26 4.483 1.410 0.985 1.00 0.09 O ATOM 391 CB ASP A 26 2.080 2.931 1.049 1.00 0.09 C ATOM 392 CG ASP A 26 2.967 4.178 1.054 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.270 4.670 -0.020 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.326 4.620 2.134 1.00 0.93 O ATOM 0 H ASP A 26 1.725 0.286 0.830 1.00 0.08 H new ATOM 0 HA ASP A 26 2.243 2.564 -1.064 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.031 3.218 0.978 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.199 2.384 1.984 1.00 0.09 H new ATOM 399 N PHE A 27 4.631 1.761 -1.177 1.00 0.08 N ATOM 400 CA PHE A 27 6.087 1.454 -1.176 1.00 0.09 C ATOM 401 C PHE A 27 6.847 2.734 -0.831 1.00 0.11 C ATOM 402 O PHE A 27 7.353 3.416 -1.702 1.00 0.13 O ATOM 403 CB PHE A 27 6.505 0.998 -2.575 1.00 0.10 C ATOM 404 CG PHE A 27 6.102 -0.442 -2.809 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.777 -0.766 -3.166 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.063 -1.462 -2.690 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.418 -2.110 -3.400 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.707 -2.802 -2.926 1.00 0.21 C ATOM 409 CZ PHE A 27 5.385 -3.127 -3.280 1.00 0.23 C ATOM 0 H PHE A 27 4.240 2.004 -2.087 1.00 0.08 H new ATOM 0 HA PHE A 27 6.306 0.670 -0.451 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.041 1.638 -3.326 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.584 1.103 -2.690 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.037 0.015 -3.260 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.078 -1.215 -2.416 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.403 -2.359 -3.671 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.449 -3.582 -2.835 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.112 -4.156 -3.460 1.00 0.23 H new ATOM 419 N SER A 28 6.920 3.069 0.435 1.00 0.11 N ATOM 420 CA SER A 28 7.640 4.311 0.861 1.00 0.12 C ATOM 421 C SER A 28 8.878 3.933 1.671 1.00 0.10 C ATOM 422 O SER A 28 8.902 2.931 2.357 1.00 0.11 O ATOM 423 CB SER A 28 6.714 5.161 1.731 1.00 0.17 C ATOM 424 OG SER A 28 5.612 5.601 0.951 1.00 1.03 O ATOM 0 H SER A 28 6.508 2.531 1.197 1.00 0.11 H new ATOM 0 HA SER A 28 7.939 4.875 -0.022 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.362 4.580 2.584 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.257 6.018 2.131 1.00 0.17 H new ATOM 0 HG SER A 28 5.023 6.158 1.502 1.00 1.03 H new ATOM 430 N ALA A 29 9.908 4.735 1.608 1.00 0.10 N ATOM 431 CA ALA A 29 11.145 4.430 2.385 1.00 0.15 C ATOM 432 C ALA A 29 11.056 5.111 3.754 1.00 0.18 C ATOM 433 O ALA A 29 10.768 6.287 3.858 1.00 0.26 O ATOM 434 CB ALA A 29 12.363 4.947 1.617 1.00 0.19 C ATOM 0 H ALA A 29 9.946 5.589 1.051 1.00 0.10 H new ATOM 0 HA ALA A 29 11.244 3.354 2.526 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.269 4.726 2.181 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.413 4.459 0.644 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.275 6.025 1.478 1.00 0.19 H new ATOM 440 N THR A 30 11.286 4.374 4.806 1.00 0.18 N ATOM 441 CA THR A 30 11.198 4.963 6.174 1.00 0.23 C ATOM 442 C THR A 30 12.312 5.991 6.398 1.00 0.26 C ATOM 443 O THR A 30 12.185 6.880 7.217 1.00 0.31 O ATOM 444 CB THR A 30 11.327 3.845 7.212 1.00 0.26 C ATOM 445 OG1 THR A 30 11.228 4.399 8.517 1.00 0.32 O ATOM 446 CG2 THR A 30 12.680 3.150 7.051 1.00 0.28 C ATOM 0 H THR A 30 11.532 3.385 4.777 1.00 0.18 H new ATOM 0 HA THR A 30 10.236 5.465 6.277 1.00 0.23 H new ATOM 0 HB THR A 30 10.529 3.118 7.064 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.309 3.684 9.183 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.771 2.354 7.790 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.754 2.725 6.050 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.481 3.875 7.198 1.00 0.28 H new ATOM 454 N TRP A 31 13.409 5.877 5.698 1.00 0.26 N ATOM 455 CA TRP A 31 14.528 6.850 5.898 1.00 0.32 C ATOM 456 C TRP A 31 14.347 8.063 4.986 1.00 0.32 C ATOM 457 O TRP A 31 14.952 9.097 5.189 1.00 0.36 O ATOM 458 CB TRP A 31 15.861 6.167 5.574 1.00 0.34 C ATOM 459 CG TRP A 31 15.949 5.876 4.110 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.642 4.692 3.531 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.372 6.762 3.037 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.850 4.794 2.166 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.298 6.052 1.810 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.808 8.107 3.008 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.647 6.655 0.592 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.160 8.718 1.788 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.079 7.993 0.581 1.00 0.40 C ATOM 0 H TRP A 31 13.581 5.155 4.998 1.00 0.26 H new ATOM 0 HA TRP A 31 14.524 7.183 6.936 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.689 6.808 5.875 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.951 5.241 6.142 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.292 3.811 4.049 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.692 4.034 1.504 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.872 8.670 3.928 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.584 6.096 -0.330 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.493 9.745 1.777 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.349 8.466 -0.352 1.00 0.40 H new ATOM 478 N CYS A 32 13.533 7.944 3.975 1.00 0.28 N ATOM 479 CA CYS A 32 13.329 9.088 3.036 1.00 0.30 C ATOM 480 C CYS A 32 12.109 9.911 3.471 1.00 0.31 C ATOM 481 O CYS A 32 11.014 9.404 3.607 1.00 0.29 O ATOM 482 CB CYS A 32 13.130 8.526 1.624 1.00 0.28 C ATOM 483 SG CYS A 32 13.742 9.714 0.401 1.00 0.32 S ATOM 0 H CYS A 32 12.998 7.104 3.756 1.00 0.28 H new ATOM 0 HA CYS A 32 14.198 9.745 3.046 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.659 7.579 1.521 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.074 8.321 1.449 1.00 0.28 H new ATOM 488 N GLY A 33 12.311 11.182 3.697 1.00 0.34 N ATOM 489 CA GLY A 33 11.197 12.074 4.134 1.00 0.36 C ATOM 490 C GLY A 33 10.109 12.212 3.051 1.00 0.35 C ATOM 491 O GLY A 33 8.951 12.001 3.340 1.00 0.33 O ATOM 0 H GLY A 33 13.214 11.646 3.596 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.752 11.678 5.047 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.595 13.060 4.376 1.00 0.36 H new ATOM 495 N PRO A 34 10.488 12.589 1.846 1.00 0.37 N ATOM 496 CA PRO A 34 9.512 12.783 0.750 1.00 0.38 C ATOM 497 C PRO A 34 8.553 11.592 0.640 1.00 0.35 C ATOM 498 O PRO A 34 7.385 11.756 0.347 1.00 0.36 O ATOM 499 CB PRO A 34 10.383 12.944 -0.517 1.00 0.42 C ATOM 500 CG PRO A 34 11.825 13.255 -0.026 1.00 0.44 C ATOM 501 CD PRO A 34 11.895 12.847 1.464 1.00 0.40 C ATOM 0 HA PRO A 34 8.869 13.648 0.912 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.366 12.035 -1.118 1.00 0.42 H new ATOM 0 HB3 PRO A 34 10.006 13.749 -1.147 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.559 12.702 -0.612 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.053 14.314 -0.147 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.513 11.960 1.604 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.332 13.639 2.072 1.00 0.40 H new ATOM 509 N ALA A 35 9.023 10.403 0.869 1.00 0.33 N ATOM 510 CA ALA A 35 8.115 9.228 0.775 1.00 0.32 C ATOM 511 C ALA A 35 7.257 9.155 2.039 1.00 0.39 C ATOM 512 O ALA A 35 6.046 9.233 1.990 1.00 0.81 O ATOM 513 CB ALA A 35 8.949 7.954 0.642 1.00 0.36 C ATOM 0 H ALA A 35 9.990 10.192 1.116 1.00 0.33 H new ATOM 0 HA ALA A 35 7.469 9.327 -0.097 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.287 7.091 0.573 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.563 8.013 -0.257 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.593 7.848 1.515 1.00 0.36 H new ATOM 519 N LYS A 36 7.884 9.008 3.171 1.00 0.30 N ATOM 520 CA LYS A 36 7.131 8.932 4.455 1.00 0.28 C ATOM 521 C LYS A 36 6.291 10.198 4.644 1.00 0.24 C ATOM 522 O LYS A 36 5.365 10.232 5.430 1.00 0.25 O ATOM 523 CB LYS A 36 8.138 8.819 5.601 1.00 0.35 C ATOM 524 CG LYS A 36 7.399 8.675 6.935 1.00 0.38 C ATOM 525 CD LYS A 36 8.409 8.465 8.071 1.00 0.49 C ATOM 526 CE LYS A 36 9.278 9.717 8.265 1.00 1.22 C ATOM 527 NZ LYS A 36 8.446 10.946 8.123 1.00 1.92 N ATOM 0 H LYS A 36 8.897 8.936 3.264 1.00 0.30 H new ATOM 0 HA LYS A 36 6.469 8.066 4.443 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.788 7.959 5.441 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.777 9.702 5.623 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.802 9.566 7.128 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.709 7.832 6.890 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.880 8.237 8.996 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.043 7.608 7.846 1.00 0.49 H new ATOM 0 HE2 LYS A 36 9.744 9.696 9.250 1.00 1.22 H new ATOM 0 HE3 LYS A 36 10.084 9.727 7.531 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.923 11.744 8.590 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.316 11.162 7.114 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 7.518 10.790 8.566 1.00 1.92 H new ATOM 541 N MET A 37 6.618 11.245 3.943 1.00 0.23 N ATOM 542 CA MET A 37 5.855 12.515 4.101 1.00 0.24 C ATOM 543 C MET A 37 4.375 12.296 3.784 1.00 0.20 C ATOM 544 O MET A 37 3.536 13.095 4.152 1.00 0.20 O ATOM 545 CB MET A 37 6.429 13.579 3.160 1.00 0.29 C ATOM 546 CG MET A 37 5.586 14.859 3.241 1.00 1.31 C ATOM 547 SD MET A 37 6.597 16.276 2.749 1.00 2.12 S ATOM 548 CE MET A 37 7.243 16.675 4.392 1.00 3.13 C ATOM 0 H MET A 37 7.381 11.278 3.267 1.00 0.23 H new ATOM 0 HA MET A 37 5.945 12.850 5.134 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.462 13.796 3.430 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.439 13.204 2.137 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.715 14.776 2.590 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.214 14.999 4.256 1.00 1.31 H new ATOM 0 HE1 MET A 37 7.905 17.538 4.323 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.415 16.906 5.062 1.00 3.13 H new ATOM 0 HE3 MET A 37 7.798 15.822 4.782 1.00 3.13 H new ATOM 558 N ILE A 38 4.042 11.231 3.096 1.00 0.18 N ATOM 559 CA ILE A 38 2.608 10.972 2.743 1.00 0.15 C ATOM 560 C ILE A 38 1.997 9.937 3.695 1.00 0.16 C ATOM 561 O ILE A 38 0.894 9.471 3.497 1.00 0.16 O ATOM 562 CB ILE A 38 2.536 10.489 1.283 1.00 0.16 C ATOM 563 CG1 ILE A 38 2.859 11.688 0.373 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.125 9.957 0.962 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.209 11.231 -1.059 1.00 0.28 C ATOM 0 H ILE A 38 4.701 10.528 2.762 1.00 0.18 H new ATOM 0 HA ILE A 38 2.032 11.892 2.847 1.00 0.15 H new ATOM 0 HB ILE A 38 3.249 9.680 1.122 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.004 12.364 0.342 1.00 0.17 H new ATOM 0 HG13 ILE A 38 3.694 12.250 0.792 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.090 9.619 -0.074 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.891 9.123 1.624 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.394 10.752 1.109 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.432 12.102 -1.675 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.080 10.576 -1.029 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.363 10.692 -1.486 1.00 0.28 H new ATOM 577 N LYS A 39 2.679 9.580 4.749 1.00 0.19 N ATOM 578 CA LYS A 39 2.070 8.589 5.675 1.00 0.22 C ATOM 579 C LYS A 39 0.839 9.150 6.418 1.00 0.20 C ATOM 580 O LYS A 39 -0.058 8.392 6.716 1.00 0.21 O ATOM 581 CB LYS A 39 3.109 7.983 6.661 1.00 0.31 C ATOM 582 CG LYS A 39 3.426 8.903 7.866 1.00 0.34 C ATOM 583 CD LYS A 39 3.987 8.064 9.030 1.00 0.45 C ATOM 584 CE LYS A 39 2.904 7.126 9.608 1.00 1.16 C ATOM 585 NZ LYS A 39 3.079 5.760 9.037 1.00 1.62 N ATOM 0 H LYS A 39 3.606 9.921 5.003 1.00 0.19 H new ATOM 0 HA LYS A 39 1.713 7.773 5.047 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.734 7.029 7.031 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.032 7.774 6.121 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.149 9.665 7.573 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.524 9.425 8.184 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.836 7.475 8.682 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.357 8.725 9.814 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.980 7.091 10.695 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.911 7.508 9.370 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.185 5.445 8.610 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.822 5.780 8.309 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.353 5.100 9.793 1.00 1.62 H new ATOM 599 N PRO A 40 0.789 10.435 6.731 1.00 0.20 N ATOM 600 CA PRO A 40 -0.371 10.958 7.468 1.00 0.21 C ATOM 601 C PRO A 40 -1.635 10.816 6.613 1.00 0.17 C ATOM 602 O PRO A 40 -2.731 11.072 7.067 1.00 0.20 O ATOM 603 CB PRO A 40 -0.026 12.432 7.773 1.00 0.24 C ATOM 604 CG PRO A 40 1.415 12.687 7.242 1.00 0.25 C ATOM 605 CD PRO A 40 1.812 11.458 6.398 1.00 0.21 C ATOM 0 HA PRO A 40 -0.572 10.415 8.392 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.738 13.102 7.290 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.081 12.626 8.844 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.448 13.595 6.640 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.111 12.827 8.069 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.810 11.690 5.333 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.815 11.112 6.647 1.00 0.21 H new ATOM 613 N PHE A 41 -1.484 10.398 5.379 1.00 0.14 N ATOM 614 CA PHE A 41 -2.665 10.216 4.478 1.00 0.14 C ATOM 615 C PHE A 41 -2.880 8.727 4.219 1.00 0.11 C ATOM 616 O PHE A 41 -3.779 8.123 4.762 1.00 0.13 O ATOM 617 CB PHE A 41 -2.419 10.949 3.161 1.00 0.15 C ATOM 618 CG PHE A 41 -2.722 12.411 3.374 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.804 13.222 4.064 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.932 12.952 2.904 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.094 14.584 4.281 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.225 14.311 3.121 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.304 15.129 3.809 1.00 0.27 C ATOM 0 H PHE A 41 -0.584 10.173 4.954 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.556 10.628 4.952 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.386 10.817 2.840 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.052 10.540 2.374 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.878 12.802 4.427 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.636 12.325 2.377 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.389 15.209 4.809 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.154 14.728 2.761 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.527 16.173 3.974 1.00 0.27 H new ATOM 633 N PHE A 42 -2.062 8.133 3.396 1.00 0.10 N ATOM 634 CA PHE A 42 -2.220 6.680 3.090 1.00 0.11 C ATOM 635 C PHE A 42 -2.515 5.885 4.371 1.00 0.11 C ATOM 636 O PHE A 42 -3.515 5.204 4.469 1.00 0.12 O ATOM 637 CB PHE A 42 -0.928 6.170 2.446 1.00 0.13 C ATOM 638 CG PHE A 42 -0.979 4.668 2.312 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.720 4.086 1.270 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.286 3.851 3.227 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.769 2.688 1.138 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.335 2.450 3.096 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.077 1.868 2.049 1.00 0.10 C ATOM 0 H PHE A 42 -1.286 8.592 2.919 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.058 6.545 2.406 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.795 6.627 1.465 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.070 6.461 3.052 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.252 4.713 0.570 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.283 4.299 4.028 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.339 2.242 0.336 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.195 1.822 3.797 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.115 0.794 1.946 1.00 0.10 H new ATOM 653 N HIS A 43 -1.655 5.961 5.348 1.00 0.14 N ATOM 654 CA HIS A 43 -1.895 5.201 6.611 1.00 0.16 C ATOM 655 C HIS A 43 -3.124 5.767 7.341 1.00 0.16 C ATOM 656 O HIS A 43 -3.835 5.047 8.011 1.00 0.18 O ATOM 657 CB HIS A 43 -0.617 5.260 7.487 1.00 0.21 C ATOM 658 CG HIS A 43 -0.949 5.156 8.954 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.916 3.953 9.641 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.356 6.100 9.864 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.301 4.201 10.907 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.581 5.494 11.097 1.00 0.39 N ATOM 0 H HIS A 43 -0.798 6.514 5.329 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.107 4.155 6.389 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.056 4.449 7.207 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.087 6.194 7.298 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.482 7.152 9.655 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.375 3.446 11.676 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.892 5.941 11.960 1.00 0.39 H new ATOM 670 N SER A 44 -3.388 7.036 7.216 1.00 0.20 N ATOM 671 CA SER A 44 -4.579 7.610 7.908 1.00 0.25 C ATOM 672 C SER A 44 -5.861 6.994 7.339 1.00 0.20 C ATOM 673 O SER A 44 -6.790 6.701 8.065 1.00 0.21 O ATOM 674 CB SER A 44 -4.612 9.121 7.708 1.00 0.34 C ATOM 675 OG SER A 44 -5.937 9.593 7.911 1.00 0.97 O ATOM 0 H SER A 44 -2.837 7.698 6.670 1.00 0.20 H new ATOM 0 HA SER A 44 -4.512 7.385 8.972 1.00 0.25 H new ATOM 0 HB2 SER A 44 -3.930 9.607 8.406 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.274 9.374 6.703 1.00 0.34 H new ATOM 0 HG SER A 44 -5.961 10.565 7.785 1.00 0.97 H new ATOM 681 N LEU A 45 -5.926 6.799 6.047 1.00 0.18 N ATOM 682 CA LEU A 45 -7.159 6.206 5.449 1.00 0.18 C ATOM 683 C LEU A 45 -7.536 4.938 6.217 1.00 0.16 C ATOM 684 O LEU A 45 -8.619 4.414 6.068 1.00 0.23 O ATOM 685 CB LEU A 45 -6.919 5.847 3.974 1.00 0.19 C ATOM 686 CG LEU A 45 -6.516 7.089 3.161 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.418 6.702 1.681 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.563 8.203 3.332 1.00 0.50 C ATOM 0 H LEU A 45 -5.184 7.023 5.384 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.966 6.936 5.512 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.136 5.092 3.903 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.823 5.409 3.551 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.554 7.457 3.518 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.133 7.575 1.095 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.667 5.921 1.558 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.384 6.334 1.337 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.264 9.075 2.751 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.532 7.848 2.982 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.635 8.476 4.385 1.00 0.50 H new ATOM 700 N SER A 46 -6.656 4.438 7.039 1.00 0.20 N ATOM 701 CA SER A 46 -6.984 3.206 7.810 1.00 0.25 C ATOM 702 C SER A 46 -8.241 3.450 8.650 1.00 0.17 C ATOM 703 O SER A 46 -9.042 2.561 8.858 1.00 0.15 O ATOM 704 CB SER A 46 -5.816 2.852 8.731 1.00 0.36 C ATOM 705 OG SER A 46 -4.625 2.756 7.961 1.00 0.51 O ATOM 0 H SER A 46 -5.729 4.826 7.210 1.00 0.20 H new ATOM 0 HA SER A 46 -7.162 2.382 7.119 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.703 3.613 9.504 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.012 1.908 9.239 1.00 0.36 H new ATOM 0 HG SER A 46 -4.184 3.631 7.930 1.00 0.51 H new ATOM 711 N GLU A 47 -8.414 4.650 9.142 1.00 0.21 N ATOM 712 CA GLU A 47 -9.614 4.960 9.978 1.00 0.21 C ATOM 713 C GLU A 47 -10.726 5.551 9.104 1.00 0.18 C ATOM 714 O GLU A 47 -11.861 5.662 9.522 1.00 0.18 O ATOM 715 CB GLU A 47 -9.225 5.975 11.058 1.00 0.32 C ATOM 716 CG GLU A 47 -7.878 5.582 11.666 1.00 0.39 C ATOM 717 CD GLU A 47 -7.560 6.505 12.845 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.348 6.539 13.776 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.533 7.163 12.797 1.00 1.98 O ATOM 0 H GLU A 47 -7.774 5.431 9.000 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.976 4.042 10.442 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.164 6.975 10.628 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.990 6.008 11.833 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.907 4.545 12.000 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.093 5.653 10.913 1.00 0.39 H new ATOM 726 N LYS A 48 -10.410 5.938 7.896 1.00 0.18 N ATOM 727 CA LYS A 48 -11.451 6.528 7.001 1.00 0.17 C ATOM 728 C LYS A 48 -12.091 5.418 6.162 1.00 0.15 C ATOM 729 O LYS A 48 -13.257 5.479 5.821 1.00 0.18 O ATOM 730 CB LYS A 48 -10.791 7.556 6.072 1.00 0.21 C ATOM 731 CG LYS A 48 -11.859 8.487 5.464 1.00 0.26 C ATOM 732 CD LYS A 48 -12.166 9.648 6.419 1.00 1.09 C ATOM 733 CE LYS A 48 -13.071 10.657 5.712 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.287 11.392 4.679 1.00 2.16 N ATOM 0 H LYS A 48 -9.477 5.871 7.490 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.219 7.015 7.601 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.060 8.143 6.628 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.250 7.044 5.277 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -11.508 8.877 4.509 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.770 7.923 5.263 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.653 9.274 7.320 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.240 10.130 6.733 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.913 10.143 5.247 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.486 11.358 6.436 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.774 12.280 4.440 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.339 11.606 5.049 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.201 10.804 3.825 1.00 2.16 H new ATOM 748 N TYR A 49 -11.331 4.405 5.831 1.00 0.13 N ATOM 749 CA TYR A 49 -11.867 3.269 5.014 1.00 0.13 C ATOM 750 C TYR A 49 -11.592 1.957 5.745 1.00 0.11 C ATOM 751 O TYR A 49 -10.754 1.173 5.344 1.00 0.11 O ATOM 752 CB TYR A 49 -11.170 3.247 3.648 1.00 0.15 C ATOM 753 CG TYR A 49 -11.775 4.301 2.755 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.011 4.059 2.126 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.109 5.525 2.554 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.581 5.039 1.295 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.677 6.506 1.725 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.915 6.265 1.093 1.00 0.21 C ATOM 759 OH TYR A 49 -13.473 7.229 0.278 1.00 0.24 O ATOM 0 H TYR A 49 -10.350 4.314 6.094 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.940 3.394 4.870 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.102 3.429 3.770 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.276 2.263 3.190 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.521 3.120 2.282 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.161 5.710 3.037 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.529 4.853 0.812 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.166 7.445 1.571 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.885 8.013 0.249 1.00 0.24 H new ATOM 769 N SER A 50 -12.294 1.709 6.814 1.00 0.12 N ATOM 770 CA SER A 50 -12.078 0.446 7.569 1.00 0.13 C ATOM 771 C SER A 50 -12.508 -0.734 6.697 1.00 0.13 C ATOM 772 O SER A 50 -12.389 -1.881 7.078 1.00 0.14 O ATOM 773 CB SER A 50 -12.915 0.475 8.847 1.00 0.16 C ATOM 774 OG SER A 50 -14.290 0.587 8.506 1.00 0.17 O ATOM 0 H SER A 50 -13.009 2.327 7.198 1.00 0.12 H new ATOM 0 HA SER A 50 -11.025 0.342 7.830 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.745 -0.432 9.427 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.614 1.315 9.473 1.00 0.16 H new ATOM 0 HG SER A 50 -14.830 0.604 9.324 1.00 0.17 H new ATOM 780 N ASN A 51 -13.015 -0.453 5.525 1.00 0.13 N ATOM 781 CA ASN A 51 -13.469 -1.540 4.607 1.00 0.15 C ATOM 782 C ASN A 51 -12.369 -1.854 3.591 1.00 0.13 C ATOM 783 O ASN A 51 -12.514 -2.730 2.761 1.00 0.14 O ATOM 784 CB ASN A 51 -14.716 -1.066 3.864 1.00 0.17 C ATOM 785 CG ASN A 51 -15.168 -2.137 2.870 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.821 -3.293 3.002 1.00 0.34 O ATOM 787 ND2 ASN A 51 -15.934 -1.797 1.870 1.00 0.32 N ATOM 0 H ASN A 51 -13.135 0.492 5.161 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.691 -2.437 5.184 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.516 -0.856 4.574 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.505 -0.135 3.338 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.241 -2.502 1.200 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.226 -0.826 1.758 1.00 0.32 H new ATOM 794 N VAL A 52 -11.273 -1.137 3.646 1.00 0.11 N ATOM 795 CA VAL A 52 -10.150 -1.373 2.681 1.00 0.10 C ATOM 796 C VAL A 52 -8.908 -1.833 3.443 1.00 0.10 C ATOM 797 O VAL A 52 -8.687 -1.464 4.578 1.00 0.11 O ATOM 798 CB VAL A 52 -9.832 -0.067 1.956 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.586 -0.247 1.084 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.022 0.328 1.075 1.00 0.12 C ATOM 0 H VAL A 52 -11.106 -0.392 4.323 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.443 -2.139 1.963 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.644 0.717 2.690 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.364 0.688 0.569 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.740 -0.525 1.712 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.766 -1.032 0.349 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.797 1.260 0.556 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.210 -0.458 0.344 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.906 0.463 1.697 1.00 0.12 H new ATOM 810 N ILE A 53 -8.096 -2.642 2.817 1.00 0.09 N ATOM 811 CA ILE A 53 -6.858 -3.147 3.482 1.00 0.09 C ATOM 812 C ILE A 53 -5.657 -2.332 2.986 1.00 0.09 C ATOM 813 O ILE A 53 -5.403 -2.245 1.803 1.00 0.14 O ATOM 814 CB ILE A 53 -6.660 -4.620 3.102 1.00 0.09 C ATOM 815 CG1 ILE A 53 -8.005 -5.380 3.168 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.609 -5.278 4.012 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.803 -5.062 4.454 1.00 0.17 C ATOM 0 H ILE A 53 -8.238 -2.978 1.865 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.946 -3.050 4.564 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.293 -4.668 2.077 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.608 -5.122 2.297 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.816 -6.452 3.118 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.483 -6.322 3.726 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.658 -4.756 3.906 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.940 -5.223 5.049 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.738 -5.622 4.449 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.215 -5.346 5.327 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -9.019 -3.994 4.493 1.00 0.17 H new ATOM 829 N PHE A 54 -4.916 -1.737 3.886 1.00 0.08 N ATOM 830 CA PHE A 54 -3.721 -0.926 3.486 1.00 0.08 C ATOM 831 C PHE A 54 -2.456 -1.663 3.915 1.00 0.08 C ATOM 832 O PHE A 54 -2.353 -2.136 5.025 1.00 0.11 O ATOM 833 CB PHE A 54 -3.774 0.431 4.188 1.00 0.08 C ATOM 834 CG PHE A 54 -4.981 1.195 3.698 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.010 1.683 2.379 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.077 1.416 4.554 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.135 2.393 1.914 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.201 2.126 4.091 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.230 2.615 2.770 1.00 0.09 C ATOM 0 H PHE A 54 -5.088 -1.778 4.891 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.718 -0.780 2.406 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.829 0.294 5.268 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.864 0.995 3.984 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.170 1.513 1.722 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.055 1.041 5.566 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.157 2.767 0.901 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.041 2.296 4.748 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.092 3.160 2.414 1.00 0.09 H new ATOM 849 N LEU A 55 -1.491 -1.772 3.039 1.00 0.08 N ATOM 850 CA LEU A 55 -0.217 -2.482 3.382 1.00 0.09 C ATOM 851 C LEU A 55 0.931 -1.470 3.357 1.00 0.09 C ATOM 852 O LEU A 55 0.768 -0.340 2.942 1.00 0.10 O ATOM 853 CB LEU A 55 0.056 -3.582 2.339 1.00 0.10 C ATOM 854 CG LEU A 55 -0.741 -4.860 2.657 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.218 -4.536 2.921 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.632 -5.814 1.463 1.00 0.12 C ATOM 0 H LEU A 55 -1.529 -1.397 2.091 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.300 -2.933 4.371 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.212 -3.220 1.346 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.122 -3.810 2.318 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.329 -5.322 3.554 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.758 -5.456 3.143 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.295 -3.856 3.769 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.651 -4.065 2.038 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.192 -6.725 1.673 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -1.041 -5.333 0.575 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.415 -6.063 1.291 1.00 0.12 H new ATOM 868 N GLU A 56 2.095 -1.873 3.790 1.00 0.09 N ATOM 869 CA GLU A 56 3.270 -0.952 3.787 1.00 0.09 C ATOM 870 C GLU A 56 4.505 -1.763 3.403 1.00 0.09 C ATOM 871 O GLU A 56 4.622 -2.921 3.749 1.00 0.10 O ATOM 872 CB GLU A 56 3.457 -0.348 5.183 1.00 0.09 C ATOM 873 CG GLU A 56 4.405 0.851 5.095 1.00 0.11 C ATOM 874 CD GLU A 56 4.612 1.442 6.491 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.947 0.990 7.409 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.431 2.337 6.619 1.00 1.24 O ATOM 0 H GLU A 56 2.285 -2.809 4.149 1.00 0.09 H new ATOM 0 HA GLU A 56 3.115 -0.141 3.076 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.494 -0.036 5.588 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.862 -1.097 5.864 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.362 0.542 4.674 1.00 0.11 H new ATOM 0 HG3 GLU A 56 3.992 1.606 4.426 1.00 0.11 H new ATOM 883 N VAL A 57 5.421 -1.178 2.671 1.00 0.08 N ATOM 884 CA VAL A 57 6.637 -1.940 2.247 1.00 0.08 C ATOM 885 C VAL A 57 7.875 -1.042 2.292 1.00 0.09 C ATOM 886 O VAL A 57 7.839 0.112 1.907 1.00 0.14 O ATOM 887 CB VAL A 57 6.431 -2.446 0.819 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.632 -3.295 0.404 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.161 -3.298 0.758 1.00 0.09 C ATOM 0 H VAL A 57 5.380 -0.211 2.350 1.00 0.08 H new ATOM 0 HA VAL A 57 6.788 -2.778 2.927 1.00 0.08 H new ATOM 0 HB VAL A 57 6.332 -1.597 0.143 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.487 -3.657 -0.614 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.538 -2.690 0.449 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.729 -4.144 1.081 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.014 -3.659 -0.260 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.260 -4.148 1.434 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.304 -2.695 1.057 1.00 0.09 H new ATOM 899 N ASP A 58 8.978 -1.577 2.756 1.00 0.09 N ATOM 900 CA ASP A 58 10.245 -0.787 2.830 1.00 0.09 C ATOM 901 C ASP A 58 11.119 -1.137 1.619 1.00 0.10 C ATOM 902 O ASP A 58 11.751 -2.174 1.576 1.00 0.11 O ATOM 903 CB ASP A 58 10.984 -1.144 4.127 1.00 0.11 C ATOM 904 CG ASP A 58 11.997 -0.046 4.468 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.571 1.008 4.909 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.180 -0.280 4.284 1.00 1.08 O ATOM 0 H ASP A 58 9.054 -2.538 3.090 1.00 0.09 H new ATOM 0 HA ASP A 58 10.025 0.281 2.823 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.270 -1.259 4.943 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.495 -2.100 4.014 1.00 0.11 H new ATOM 911 N VAL A 59 11.143 -0.286 0.631 1.00 0.12 N ATOM 912 CA VAL A 59 11.957 -0.567 -0.592 1.00 0.15 C ATOM 913 C VAL A 59 13.443 -0.694 -0.244 1.00 0.18 C ATOM 914 O VAL A 59 14.266 -0.897 -1.115 1.00 0.27 O ATOM 915 CB VAL A 59 11.780 0.579 -1.588 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.346 0.585 -2.115 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.072 1.908 -0.889 1.00 0.22 C ATOM 0 H VAL A 59 10.632 0.597 0.615 1.00 0.12 H new ATOM 0 HA VAL A 59 11.616 -1.507 -1.025 1.00 0.15 H new ATOM 0 HB VAL A 59 12.470 0.445 -2.421 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.223 1.403 -2.825 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.137 -0.362 -2.613 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.653 0.718 -1.284 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.946 2.727 -1.597 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.382 2.040 -0.056 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.096 1.905 -0.515 1.00 0.22 H new ATOM 927 N ASP A 60 13.797 -0.558 1.009 1.00 0.16 N ATOM 928 CA ASP A 60 15.240 -0.649 1.409 1.00 0.18 C ATOM 929 C ASP A 60 15.487 -1.898 2.259 1.00 0.17 C ATOM 930 O ASP A 60 16.487 -2.571 2.105 1.00 0.18 O ATOM 931 CB ASP A 60 15.602 0.593 2.222 1.00 0.21 C ATOM 932 CG ASP A 60 15.189 1.847 1.450 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.516 1.929 0.277 1.00 1.08 O ATOM 934 OD2 ASP A 60 14.553 2.703 2.043 1.00 1.11 O ATOM 0 H ASP A 60 13.148 -0.387 1.777 1.00 0.16 H new ATOM 0 HA ASP A 60 15.856 -0.712 0.512 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.100 0.567 3.189 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.674 0.611 2.420 1.00 0.21 H new ATOM 939 N ASP A 61 14.596 -2.212 3.162 1.00 0.17 N ATOM 940 CA ASP A 61 14.791 -3.415 4.030 1.00 0.17 C ATOM 941 C ASP A 61 14.043 -4.611 3.424 1.00 0.16 C ATOM 942 O ASP A 61 14.356 -5.751 3.703 1.00 0.18 O ATOM 943 CB ASP A 61 14.266 -3.097 5.441 1.00 0.19 C ATOM 944 CG ASP A 61 14.005 -4.390 6.224 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.828 -5.287 6.142 1.00 1.12 O ATOM 946 OD2 ASP A 61 12.987 -4.458 6.893 1.00 1.07 O ATOM 0 H ASP A 61 13.739 -1.687 3.338 1.00 0.17 H new ATOM 0 HA ASP A 61 15.849 -3.671 4.094 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.991 -2.482 5.975 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.346 -2.516 5.370 1.00 0.19 H new ATOM 951 N ALA A 62 13.068 -4.356 2.586 1.00 0.16 N ATOM 952 CA ALA A 62 12.299 -5.467 1.934 1.00 0.16 C ATOM 953 C ALA A 62 12.577 -5.424 0.431 1.00 0.16 C ATOM 954 O ALA A 62 11.678 -5.471 -0.385 1.00 0.15 O ATOM 955 CB ALA A 62 10.801 -5.276 2.191 1.00 0.17 C ATOM 0 H ALA A 62 12.768 -3.418 2.322 1.00 0.16 H new ATOM 0 HA ALA A 62 12.605 -6.430 2.344 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.244 -6.084 1.716 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.612 -5.287 3.264 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.479 -4.321 1.775 1.00 0.17 H new ATOM 961 N GLN A 63 13.825 -5.321 0.071 1.00 0.20 N ATOM 962 CA GLN A 63 14.200 -5.255 -1.371 1.00 0.22 C ATOM 963 C GLN A 63 13.619 -6.453 -2.127 1.00 0.20 C ATOM 964 O GLN A 63 13.519 -6.441 -3.338 1.00 0.20 O ATOM 965 CB GLN A 63 15.726 -5.269 -1.501 1.00 0.29 C ATOM 966 CG GLN A 63 16.333 -4.210 -0.574 1.00 0.90 C ATOM 967 CD GLN A 63 17.859 -4.264 -0.663 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.441 -5.363 -1.060 1.00 2.17 O flip ATOM 969 NE2 GLN A 63 18.531 -3.296 -0.366 1.00 2.22 N flip ATOM 0 H GLN A 63 14.611 -5.279 0.720 1.00 0.20 H new ATOM 0 HA GLN A 63 13.798 -4.336 -1.798 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.113 -6.255 -1.245 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.015 -5.071 -2.533 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.977 -3.219 -0.855 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.012 -4.384 0.453 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.078 -2.436 -0.056 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.548 -3.343 -0.427 1.00 2.22 H new ATOM 978 N ASP A 64 13.239 -7.491 -1.433 1.00 0.19 N ATOM 979 CA ASP A 64 12.674 -8.677 -2.133 1.00 0.20 C ATOM 980 C ASP A 64 11.287 -8.337 -2.681 1.00 0.17 C ATOM 981 O ASP A 64 10.930 -8.729 -3.774 1.00 0.19 O ATOM 982 CB ASP A 64 12.572 -9.849 -1.150 1.00 0.22 C ATOM 983 CG ASP A 64 12.109 -9.333 0.214 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.680 -8.193 0.280 1.00 1.11 O ATOM 985 OD2 ASP A 64 12.192 -10.086 1.170 1.00 1.09 O ATOM 0 H ASP A 64 13.295 -7.568 -0.417 1.00 0.19 H new ATOM 0 HA ASP A 64 13.326 -8.957 -2.960 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.870 -10.593 -1.526 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.539 -10.343 -1.055 1.00 0.22 H new ATOM 990 N VAL A 65 10.506 -7.604 -1.940 1.00 0.15 N ATOM 991 CA VAL A 65 9.150 -7.238 -2.432 1.00 0.16 C ATOM 992 C VAL A 65 9.291 -6.181 -3.527 1.00 0.16 C ATOM 993 O VAL A 65 8.700 -6.281 -4.583 1.00 0.19 O ATOM 994 CB VAL A 65 8.322 -6.673 -1.278 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.864 -6.530 -1.717 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.404 -7.624 -0.082 1.00 0.18 C ATOM 0 H VAL A 65 10.747 -7.243 -1.017 1.00 0.15 H new ATOM 0 HA VAL A 65 8.650 -8.120 -2.832 1.00 0.16 H new ATOM 0 HB VAL A 65 8.712 -5.695 -0.994 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.274 -6.127 -0.894 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.806 -5.854 -2.570 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.472 -7.507 -2.000 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.814 -7.223 0.743 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.013 -8.601 -0.367 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.443 -7.726 0.231 1.00 0.18 H new ATOM 1006 N ALA A 66 10.076 -5.170 -3.279 1.00 0.16 N ATOM 1007 CA ALA A 66 10.267 -4.103 -4.300 1.00 0.18 C ATOM 1008 C ALA A 66 10.944 -4.696 -5.536 1.00 0.19 C ATOM 1009 O ALA A 66 10.682 -4.293 -6.652 1.00 0.20 O ATOM 1010 CB ALA A 66 11.151 -3.001 -3.718 1.00 0.22 C ATOM 0 H ALA A 66 10.595 -5.037 -2.411 1.00 0.16 H new ATOM 0 HA ALA A 66 9.299 -3.688 -4.580 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.293 -2.218 -4.462 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.672 -2.579 -2.834 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.119 -3.419 -3.441 1.00 0.22 H new ATOM 1016 N SER A 67 11.817 -5.646 -5.346 1.00 0.21 N ATOM 1017 CA SER A 67 12.515 -6.259 -6.510 1.00 0.26 C ATOM 1018 C SER A 67 11.492 -6.963 -7.408 1.00 0.26 C ATOM 1019 O SER A 67 11.433 -6.731 -8.599 1.00 0.29 O ATOM 1020 CB SER A 67 13.543 -7.276 -6.009 1.00 0.31 C ATOM 1021 OG SER A 67 14.674 -6.586 -5.490 1.00 1.29 O ATOM 0 H SER A 67 12.077 -6.024 -4.435 1.00 0.21 H new ATOM 0 HA SER A 67 13.022 -5.481 -7.081 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.101 -7.906 -5.237 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.846 -7.934 -6.823 1.00 0.31 H new ATOM 0 HG SER A 67 14.413 -6.088 -4.687 1.00 1.29 H new ATOM 1027 N GLU A 68 10.691 -7.826 -6.844 1.00 0.26 N ATOM 1028 CA GLU A 68 9.675 -8.551 -7.659 1.00 0.30 C ATOM 1029 C GLU A 68 8.647 -7.560 -8.220 1.00 0.31 C ATOM 1030 O GLU A 68 8.087 -7.768 -9.278 1.00 0.36 O ATOM 1031 CB GLU A 68 8.965 -9.584 -6.775 1.00 0.31 C ATOM 1032 CG GLU A 68 8.276 -10.633 -7.653 1.00 0.39 C ATOM 1033 CD GLU A 68 9.325 -11.575 -8.250 1.00 1.43 C ATOM 1034 OE1 GLU A 68 10.396 -11.680 -7.677 1.00 2.19 O ATOM 1035 OE2 GLU A 68 9.037 -12.177 -9.272 1.00 2.20 O ATOM 0 H GLU A 68 10.697 -8.061 -5.851 1.00 0.26 H new ATOM 0 HA GLU A 68 10.170 -9.054 -8.490 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.685 -10.066 -6.114 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.230 -9.089 -6.140 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.557 -11.201 -7.062 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.717 -10.144 -8.450 1.00 0.39 H new ATOM 1042 N ALA A 69 8.385 -6.489 -7.517 1.00 0.29 N ATOM 1043 CA ALA A 69 7.383 -5.494 -8.009 1.00 0.31 C ATOM 1044 C ALA A 69 8.065 -4.479 -8.936 1.00 0.29 C ATOM 1045 O ALA A 69 7.446 -3.550 -9.415 1.00 0.33 O ATOM 1046 CB ALA A 69 6.765 -4.764 -6.813 1.00 0.31 C ATOM 0 H ALA A 69 8.821 -6.259 -6.624 1.00 0.29 H new ATOM 0 HA ALA A 69 6.602 -6.013 -8.565 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.034 -4.038 -7.168 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.273 -5.486 -6.161 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.548 -4.248 -6.257 1.00 0.31 H new ATOM 1052 N GLU A 70 9.329 -4.656 -9.196 1.00 0.27 N ATOM 1053 CA GLU A 70 10.052 -3.711 -10.099 1.00 0.29 C ATOM 1054 C GLU A 70 9.745 -2.259 -9.715 1.00 0.25 C ATOM 1055 O GLU A 70 9.399 -1.448 -10.553 1.00 0.26 O ATOM 1056 CB GLU A 70 9.610 -3.954 -11.544 1.00 0.38 C ATOM 1057 CG GLU A 70 9.769 -5.437 -11.886 1.00 1.18 C ATOM 1058 CD GLU A 70 9.370 -5.670 -13.344 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.724 -4.849 -14.173 1.00 2.06 O ATOM 1060 OE2 GLU A 70 8.717 -6.667 -13.606 1.00 2.34 O ATOM 0 H GLU A 70 9.897 -5.416 -8.822 1.00 0.27 H new ATOM 0 HA GLU A 70 11.124 -3.883 -10.001 1.00 0.29 H new ATOM 0 HB2 GLU A 70 8.571 -3.650 -11.673 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.207 -3.347 -12.225 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.801 -5.749 -11.726 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.147 -6.042 -11.226 1.00 1.18 H new ATOM 1067 N VAL A 71 9.880 -1.920 -8.464 1.00 0.22 N ATOM 1068 CA VAL A 71 9.612 -0.516 -8.035 1.00 0.19 C ATOM 1069 C VAL A 71 10.848 0.336 -8.337 1.00 0.23 C ATOM 1070 O VAL A 71 11.952 -0.020 -7.977 1.00 0.28 O ATOM 1071 CB VAL A 71 9.308 -0.486 -6.532 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.661 0.849 -6.174 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.336 -1.614 -6.181 1.00 0.19 C ATOM 0 H VAL A 71 10.165 -2.554 -7.718 1.00 0.22 H new ATOM 0 HA VAL A 71 8.753 -0.118 -8.575 1.00 0.19 H new ATOM 0 HB VAL A 71 10.237 -0.613 -5.976 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.444 0.873 -5.106 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.342 1.662 -6.424 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.734 0.966 -6.736 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.122 -1.590 -5.113 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.409 -1.483 -6.740 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.783 -2.574 -6.440 1.00 0.19 H new ATOM 1083 N LYS A 72 10.675 1.450 -9.013 1.00 0.24 N ATOM 1084 CA LYS A 72 11.844 2.325 -9.365 1.00 0.29 C ATOM 1085 C LYS A 72 11.600 3.762 -8.888 1.00 0.26 C ATOM 1086 O LYS A 72 12.445 4.621 -9.044 1.00 0.27 O ATOM 1087 CB LYS A 72 12.031 2.335 -10.887 1.00 0.35 C ATOM 1088 CG LYS A 72 12.081 0.899 -11.428 1.00 0.43 C ATOM 1089 CD LYS A 72 13.379 0.215 -10.987 1.00 1.16 C ATOM 1090 CE LYS A 72 13.599 -1.051 -11.821 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.600 -1.923 -11.147 1.00 2.40 N ATOM 0 H LYS A 72 9.771 1.793 -9.338 1.00 0.24 H new ATOM 0 HA LYS A 72 12.735 1.931 -8.876 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.212 2.879 -11.357 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.951 2.860 -11.144 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.222 0.335 -11.064 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.018 0.910 -12.516 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.221 0.896 -11.111 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.327 -0.039 -9.928 1.00 1.16 H new ATOM 0 HE2 LYS A 72 12.658 -1.587 -11.943 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.946 -0.786 -12.820 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.749 -2.782 -11.713 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 15.500 -1.410 -11.053 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.251 -2.187 -10.203 1.00 2.40 H new ATOM 1105 N ALA A 73 10.460 4.042 -8.311 1.00 0.22 N ATOM 1106 CA ALA A 73 10.194 5.441 -7.835 1.00 0.20 C ATOM 1107 C ALA A 73 9.214 5.401 -6.656 1.00 0.18 C ATOM 1108 O ALA A 73 8.138 4.857 -6.763 1.00 0.16 O ATOM 1109 CB ALA A 73 9.601 6.268 -8.998 1.00 0.21 C ATOM 0 H ALA A 73 9.707 3.374 -8.148 1.00 0.22 H new ATOM 0 HA ALA A 73 11.123 5.905 -7.504 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.406 7.285 -8.659 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.310 6.292 -9.826 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.669 5.811 -9.331 1.00 0.21 H new ATOM 1115 N THR A 74 9.580 5.977 -5.532 1.00 0.18 N ATOM 1116 CA THR A 74 8.665 5.967 -4.339 1.00 0.17 C ATOM 1117 C THR A 74 8.061 7.373 -4.152 1.00 0.17 C ATOM 1118 O THR A 74 8.707 8.347 -4.485 1.00 0.19 O ATOM 1119 CB THR A 74 9.483 5.623 -3.076 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.629 6.454 -3.029 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.941 4.150 -3.081 1.00 0.19 C ATOM 0 H THR A 74 10.471 6.453 -5.388 1.00 0.18 H new ATOM 0 HA THR A 74 7.876 5.231 -4.493 1.00 0.17 H new ATOM 0 HB THR A 74 8.847 5.783 -2.206 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.154 6.243 -2.229 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.514 3.944 -2.177 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.068 3.498 -3.114 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.565 3.966 -3.956 1.00 0.19 H new ATOM 1129 N PRO A 75 6.864 7.468 -3.589 1.00 0.17 N ATOM 1130 CA PRO A 75 6.032 6.316 -3.161 1.00 0.16 C ATOM 1131 C PRO A 75 5.370 5.661 -4.383 1.00 0.14 C ATOM 1132 O PRO A 75 4.911 6.336 -5.283 1.00 0.14 O ATOM 1133 CB PRO A 75 4.959 6.941 -2.236 1.00 0.17 C ATOM 1134 CG PRO A 75 5.039 8.486 -2.414 1.00 0.20 C ATOM 1135 CD PRO A 75 6.270 8.784 -3.300 1.00 0.19 C ATOM 0 HA PRO A 75 6.612 5.540 -2.660 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.966 6.575 -2.497 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.138 6.664 -1.197 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.130 8.867 -2.879 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.133 8.980 -1.447 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.980 9.296 -4.218 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.979 9.432 -2.784 1.00 0.19 H new ATOM 1143 N THR A 76 5.305 4.350 -4.406 1.00 0.13 N ATOM 1144 CA THR A 76 4.656 3.640 -5.556 1.00 0.12 C ATOM 1145 C THR A 76 3.384 2.979 -5.045 1.00 0.12 C ATOM 1146 O THR A 76 3.436 2.037 -4.280 1.00 0.18 O ATOM 1147 CB THR A 76 5.595 2.550 -6.109 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.930 3.020 -6.068 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.220 2.230 -7.560 1.00 0.13 C ATOM 0 H THR A 76 5.674 3.740 -3.677 1.00 0.13 H new ATOM 0 HA THR A 76 4.436 4.353 -6.350 1.00 0.12 H new ATOM 0 HB THR A 76 5.499 1.649 -5.503 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.036 3.758 -6.703 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.887 1.459 -7.947 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.191 1.873 -7.600 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.316 3.130 -8.167 1.00 0.13 H new ATOM 1157 N PHE A 77 2.241 3.450 -5.451 1.00 0.09 N ATOM 1158 CA PHE A 77 0.983 2.817 -4.965 1.00 0.09 C ATOM 1159 C PHE A 77 0.598 1.691 -5.905 1.00 0.09 C ATOM 1160 O PHE A 77 0.330 1.900 -7.071 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.143 3.842 -4.918 1.00 0.10 C ATOM 1162 CG PHE A 77 0.146 4.824 -3.822 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.147 4.483 -2.489 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.706 6.077 -4.127 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.121 5.403 -1.457 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.975 6.997 -3.098 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.683 6.663 -1.763 1.00 0.12 C ATOM 0 H PHE A 77 2.121 4.236 -6.090 1.00 0.09 H new ATOM 0 HA PHE A 77 1.146 2.427 -3.960 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.225 4.357 -5.875 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.098 3.347 -4.740 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.576 3.519 -2.258 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.930 6.333 -5.152 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.103 5.146 -0.432 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.405 7.959 -3.332 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.888 7.369 -0.972 1.00 0.12 H new ATOM 1177 N GLN A 78 0.558 0.495 -5.391 1.00 0.07 N ATOM 1178 CA GLN A 78 0.181 -0.684 -6.215 1.00 0.07 C ATOM 1179 C GLN A 78 -1.099 -1.259 -5.625 1.00 0.06 C ATOM 1180 O GLN A 78 -1.247 -1.359 -4.423 1.00 0.07 O ATOM 1181 CB GLN A 78 1.309 -1.715 -6.161 1.00 0.08 C ATOM 1182 CG GLN A 78 2.654 -1.016 -6.398 1.00 0.12 C ATOM 1183 CD GLN A 78 3.699 -2.041 -6.846 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.491 -2.504 -6.051 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.731 -2.417 -8.096 1.00 1.03 N ATOM 0 H GLN A 78 0.775 0.282 -4.417 1.00 0.07 H new ATOM 0 HA GLN A 78 0.021 -0.408 -7.257 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.313 -2.215 -5.192 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.149 -2.484 -6.916 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.543 -0.241 -7.156 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.984 -0.522 -5.484 1.00 0.12 H new ATOM 0 HE21 GLN A 78 3.065 -2.027 -8.763 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.422 -3.101 -8.405 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.042 -1.594 -6.461 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.349 -2.117 -5.967 1.00 0.07 C ATOM 1196 C PHE A 79 -3.452 -3.609 -6.254 1.00 0.07 C ATOM 1197 O PHE A 79 -3.253 -4.057 -7.367 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.473 -1.361 -6.684 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.435 0.093 -6.257 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.369 0.917 -6.657 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.453 0.616 -5.445 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.320 2.264 -6.249 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.407 1.959 -5.029 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.341 2.783 -5.432 1.00 0.11 C ATOM 0 H PHE A 79 -1.963 -1.527 -7.476 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.431 -1.969 -4.890 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.351 -1.440 -7.764 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.440 -1.801 -6.439 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.584 0.515 -7.280 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.274 -0.015 -5.138 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.502 2.896 -6.562 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.190 2.357 -4.400 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.306 3.815 -5.114 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.764 -4.381 -5.243 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.889 -5.859 -5.411 1.00 0.08 C ATOM 1216 C PHE A 80 -5.276 -6.294 -4.950 1.00 0.11 C ATOM 1217 O PHE A 80 -5.924 -5.626 -4.167 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.831 -6.565 -4.553 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.470 -6.443 -5.199 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.059 -7.377 -6.170 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.602 -5.401 -4.818 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.218 -7.269 -6.758 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.671 -5.293 -5.406 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.082 -6.225 -6.373 1.00 0.14 C ATOM 0 H PHE A 80 -3.939 -4.044 -4.296 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.743 -6.122 -6.459 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.809 -6.126 -3.556 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.092 -7.616 -4.433 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.723 -8.177 -6.464 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.915 -4.684 -4.073 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.533 -7.985 -7.502 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.334 -4.492 -5.113 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.061 -6.141 -6.822 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.737 -7.412 -5.427 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.077 -7.902 -5.017 1.00 0.14 C ATOM 1236 C LYS A 81 -7.082 -9.418 -5.201 1.00 0.14 C ATOM 1237 O LYS A 81 -6.781 -9.914 -6.266 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.152 -7.240 -5.894 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.514 -7.282 -5.188 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.526 -6.439 -5.972 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.754 -6.173 -5.099 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.703 -5.287 -5.831 1.00 1.48 N ATOM 0 H LYS A 81 -5.240 -8.011 -6.087 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.292 -7.653 -3.978 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.875 -6.207 -6.103 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.216 -7.754 -6.853 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.864 -8.311 -5.112 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.419 -6.902 -4.171 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.072 -5.496 -6.276 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.820 -6.959 -6.883 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.242 -7.114 -4.843 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.452 -5.705 -4.162 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.626 -5.296 -5.352 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.330 -4.316 -5.846 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.816 -5.630 -6.807 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.386 -10.152 -4.167 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.375 -11.638 -4.278 1.00 0.20 C ATOM 1258 C LYS A 82 -5.996 -12.102 -4.764 1.00 0.20 C ATOM 1259 O LYS A 82 -5.874 -13.088 -5.463 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.449 -12.104 -5.276 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.831 -12.103 -4.614 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.851 -12.747 -5.568 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.268 -12.305 -5.199 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.232 -12.855 -6.195 1.00 1.67 N ATOM 0 H LYS A 82 -7.642 -9.787 -3.249 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.587 -12.068 -3.299 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.455 -11.447 -6.146 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.211 -13.106 -5.634 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.797 -12.653 -3.674 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.132 -11.083 -4.376 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.629 -12.462 -6.596 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.775 -13.833 -5.515 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.522 -12.656 -4.199 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.328 -11.217 -5.180 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.197 -12.556 -5.946 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.993 -12.500 -7.143 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.180 -13.894 -6.192 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.957 -11.405 -4.398 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.595 -11.820 -4.838 1.00 0.21 C ATOM 1280 C GLY A 83 -3.366 -11.415 -6.295 1.00 0.19 C ATOM 1281 O GLY A 83 -2.372 -11.778 -6.892 1.00 0.22 O ATOM 0 H GLY A 83 -4.991 -10.569 -3.815 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.842 -11.356 -4.201 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.483 -12.899 -4.731 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.279 -10.671 -6.876 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.117 -10.244 -8.309 1.00 0.17 C ATOM 1287 C GLN A 84 -3.913 -8.730 -8.401 1.00 0.16 C ATOM 1288 O GLN A 84 -4.521 -7.964 -7.686 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.378 -10.610 -9.097 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.399 -12.117 -9.365 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.430 -12.435 -10.502 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -3.656 -11.487 -10.952 1.00 1.86 O flip ATOM 1293 NE2 GLN A 84 -4.376 -13.549 -10.983 1.00 2.08 N flip ATOM 0 H GLN A 84 -5.130 -10.340 -6.422 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.246 -10.753 -8.722 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.266 -10.318 -8.537 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.401 -10.063 -10.039 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.115 -12.663 -8.465 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.407 -12.438 -9.629 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -4.983 -14.288 -10.628 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.723 -13.746 -11.742 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.074 -8.296 -9.306 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.839 -6.834 -9.474 1.00 0.17 C ATOM 1304 C LYS A 85 -3.891 -6.268 -10.434 1.00 0.16 C ATOM 1305 O LYS A 85 -4.248 -6.901 -11.408 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.437 -6.607 -10.038 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.004 -5.165 -9.731 1.00 0.25 C ATOM 1308 CD LYS A 85 0.326 -4.843 -10.411 1.00 0.30 C ATOM 1309 CE LYS A 85 1.367 -5.918 -10.084 1.00 0.89 C ATOM 1310 NZ LYS A 85 2.732 -5.371 -10.320 1.00 1.70 N ATOM 0 H LYS A 85 -2.541 -8.894 -9.937 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.919 -6.329 -8.511 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.734 -7.314 -9.596 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.431 -6.781 -11.114 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.770 -4.469 -10.073 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -0.909 -5.030 -8.654 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.184 -4.781 -11.490 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.684 -3.868 -10.080 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.265 -6.236 -9.046 1.00 0.89 H new ATOM 0 HE3 LYS A 85 1.204 -6.799 -10.705 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 3.441 -6.099 -10.099 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 2.825 -5.089 -11.317 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.884 -4.543 -9.710 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.405 -5.091 -10.156 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.458 -4.488 -11.040 1.00 0.16 C ATOM 1326 C VAL A 86 -5.048 -3.079 -11.488 1.00 0.18 C ATOM 1327 O VAL A 86 -5.590 -2.545 -12.435 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.773 -4.412 -10.260 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.385 -5.809 -10.160 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.498 -3.880 -8.852 1.00 0.17 C ATOM 0 H VAL A 86 -4.140 -4.520 -9.353 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.578 -5.111 -11.927 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.464 -3.745 -10.775 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.322 -5.757 -9.605 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.578 -6.194 -11.161 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.693 -6.473 -9.642 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.433 -3.825 -8.295 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.808 -4.550 -8.338 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.056 -2.886 -8.919 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.105 -2.464 -10.826 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.691 -1.089 -11.244 1.00 0.18 C ATOM 1342 C GLY A 87 -2.534 -0.591 -10.374 1.00 0.10 C ATOM 1343 O GLY A 87 -2.110 -1.253 -9.447 1.00 0.08 O ATOM 0 H GLY A 87 -3.607 -2.847 -10.022 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.390 -1.096 -12.291 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.537 -0.407 -11.160 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.017 0.576 -10.669 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.887 1.119 -9.861 1.00 0.10 C ATOM 1349 C GLU A 88 -0.557 2.545 -10.302 1.00 0.10 C ATOM 1350 O GLU A 88 -0.825 2.942 -11.419 1.00 0.11 O ATOM 1351 CB GLU A 88 0.348 0.237 -10.057 1.00 0.17 C ATOM 1352 CG GLU A 88 0.562 -0.019 -11.549 1.00 0.25 C ATOM 1353 CD GLU A 88 1.920 -0.690 -11.763 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.467 -1.196 -10.796 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.388 -0.689 -12.889 1.00 2.04 O ATOM 0 H GLU A 88 -2.330 1.174 -11.434 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.178 1.127 -8.811 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.226 0.723 -9.631 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.220 -0.708 -9.530 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.234 -0.654 -11.938 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.518 0.921 -12.100 1.00 0.25 H new ATOM 1362 N PHE A 89 0.046 3.314 -9.433 1.00 0.09 N ATOM 1363 CA PHE A 89 0.419 4.708 -9.803 1.00 0.09 C ATOM 1364 C PHE A 89 1.350 5.300 -8.741 1.00 0.09 C ATOM 1365 O PHE A 89 1.082 5.248 -7.561 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.838 5.580 -9.991 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.427 6.026 -8.665 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.783 7.016 -7.889 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.641 5.465 -8.215 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.350 7.434 -6.672 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.205 5.887 -6.998 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.560 6.872 -6.226 1.00 0.11 C ATOM 0 H PHE A 89 0.295 3.035 -8.484 1.00 0.09 H new ATOM 0 HA PHE A 89 0.950 4.689 -10.754 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.585 6.456 -10.588 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.587 5.019 -10.550 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.144 7.451 -8.231 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.138 4.710 -8.806 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.855 8.188 -6.078 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.134 5.455 -6.655 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.994 7.196 -5.292 1.00 0.11 H new ATOM 1382 N SER A 90 2.456 5.863 -9.164 1.00 0.13 N ATOM 1383 CA SER A 90 3.426 6.470 -8.197 1.00 0.14 C ATOM 1384 C SER A 90 3.275 7.990 -8.220 1.00 0.14 C ATOM 1385 O SER A 90 2.282 8.521 -8.678 1.00 0.17 O ATOM 1386 CB SER A 90 4.850 6.098 -8.610 1.00 0.15 C ATOM 1387 OG SER A 90 5.277 6.965 -9.653 1.00 0.16 O ATOM 0 H SER A 90 2.731 5.929 -10.144 1.00 0.13 H new ATOM 0 HA SER A 90 3.226 6.096 -7.193 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.522 6.179 -7.756 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.885 5.062 -8.946 1.00 0.15 H new ATOM 0 HG SER A 90 6.189 7.272 -9.470 1.00 0.16 H new ATOM 1393 N GLY A 91 4.253 8.696 -7.727 1.00 0.12 N ATOM 1394 CA GLY A 91 4.168 10.186 -7.718 1.00 0.13 C ATOM 1395 C GLY A 91 3.331 10.628 -6.520 1.00 0.13 C ATOM 1396 O GLY A 91 2.224 10.170 -6.321 1.00 0.13 O ATOM 0 H GLY A 91 5.108 8.308 -7.329 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.166 10.620 -7.661 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.718 10.543 -8.644 1.00 0.13 H new ATOM 1400 N ALA A 92 3.853 11.504 -5.708 1.00 0.15 N ATOM 1401 CA ALA A 92 3.080 11.950 -4.518 1.00 0.17 C ATOM 1402 C ALA A 92 1.700 12.456 -4.948 1.00 0.15 C ATOM 1403 O ALA A 92 1.532 13.608 -5.296 1.00 0.16 O ATOM 1404 CB ALA A 92 3.837 13.078 -3.793 1.00 0.20 C ATOM 0 H ALA A 92 4.775 11.927 -5.816 1.00 0.15 H new ATOM 0 HA ALA A 92 2.958 11.104 -3.842 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.265 13.399 -2.923 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.813 12.713 -3.471 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.970 13.921 -4.471 1.00 0.20 H new ATOM 1410 N ASN A 93 0.707 11.606 -4.901 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.674 12.032 -5.277 1.00 0.13 C ATOM 1412 C ASN A 93 -1.642 11.409 -4.262 1.00 0.12 C ATOM 1413 O ASN A 93 -2.432 10.544 -4.582 1.00 0.12 O ATOM 1414 CB ASN A 93 -0.994 11.545 -6.700 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.108 12.407 -7.299 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.011 12.921 -6.511 1.00 1.04 O flip ATOM 1417 ND2 ASN A 93 -2.157 12.611 -8.496 1.00 1.15 N flip ATOM 0 H ASN A 93 0.794 10.630 -4.617 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.767 13.118 -5.264 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.102 11.601 -7.324 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.302 10.500 -6.677 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -1.450 12.208 -9.111 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.905 13.185 -8.885 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.555 11.842 -3.032 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.429 11.287 -1.955 1.00 0.20 C ATOM 1426 C LYS A 94 -3.909 11.495 -2.287 1.00 0.18 C ATOM 1427 O LYS A 94 -4.744 10.679 -1.951 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.089 12.001 -0.638 1.00 0.29 C ATOM 1429 CG LYS A 94 -1.795 13.486 -0.932 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.927 14.338 0.339 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.689 14.167 1.228 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.582 12.760 1.695 1.00 1.19 N ATOM 0 H LYS A 94 -0.907 12.566 -2.723 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.252 10.215 -1.866 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -2.919 11.913 0.063 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.224 11.532 -0.168 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -0.789 13.587 -1.338 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.484 13.853 -1.693 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.047 15.387 0.070 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.821 14.045 0.889 1.00 0.88 H new ATOM 0 HE2 LYS A 94 0.207 14.442 0.672 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.752 14.838 2.085 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 -0.276 12.746 2.689 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.509 12.295 1.612 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.114 12.253 1.112 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.248 12.571 -2.929 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.678 12.807 -3.257 1.00 0.20 C ATOM 1448 C GLU A 95 -6.159 11.724 -4.228 1.00 0.17 C ATOM 1449 O GLU A 95 -7.329 11.405 -4.291 1.00 0.18 O ATOM 1450 CB GLU A 95 -5.820 14.181 -3.909 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.602 15.273 -2.858 1.00 0.33 C ATOM 1452 CD GLU A 95 -5.592 16.643 -3.541 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -4.792 16.827 -4.444 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -6.385 17.483 -3.149 1.00 1.86 O ATOM 0 H GLU A 95 -3.601 13.296 -3.241 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.279 12.770 -2.348 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.095 14.289 -4.716 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.810 14.283 -4.354 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.392 15.234 -2.108 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.659 15.108 -2.336 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.259 11.162 -4.986 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.642 10.101 -5.961 1.00 0.14 C ATOM 1463 C LYS A 96 -6.014 8.816 -5.220 1.00 0.12 C ATOM 1464 O LYS A 96 -6.901 8.097 -5.630 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.463 9.832 -6.906 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.952 9.132 -8.176 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.754 8.782 -9.066 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.255 8.374 -10.453 1.00 1.18 C ATOM 1469 NZ LYS A 96 -3.115 7.852 -11.259 1.00 2.05 N ATOM 0 H LYS A 96 -4.266 11.394 -4.972 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.504 10.436 -6.537 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.974 10.771 -7.165 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.719 9.213 -6.404 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.501 8.227 -7.916 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.643 9.779 -8.717 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.084 9.638 -9.146 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.181 7.969 -8.620 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -5.029 7.612 -10.362 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.707 9.230 -10.954 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.322 7.972 -12.271 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.250 8.377 -11.018 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.976 6.843 -11.051 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.345 8.508 -4.140 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.686 7.253 -3.407 1.00 0.11 C ATOM 1485 C LEU A 97 -7.192 7.217 -3.156 1.00 0.11 C ATOM 1486 O LEU A 97 -7.806 6.169 -3.152 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.950 7.189 -2.057 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.439 7.407 -2.239 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.815 7.790 -0.892 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.766 6.124 -2.748 1.00 0.13 C ATOM 0 H LEU A 97 -4.588 9.062 -3.738 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.379 6.400 -4.012 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.351 7.947 -1.384 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.127 6.221 -1.588 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.288 8.204 -2.968 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.744 7.945 -1.018 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.274 8.709 -0.526 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.983 6.989 -0.172 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.697 6.298 -2.871 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.923 5.321 -2.028 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.200 5.841 -3.707 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.793 8.353 -2.952 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.262 8.371 -2.706 1.00 0.14 C ATOM 1504 C GLU A 98 -10.000 7.944 -3.979 1.00 0.13 C ATOM 1505 O GLU A 98 -10.775 7.007 -3.978 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.696 9.786 -2.316 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.141 9.756 -1.814 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.571 11.168 -1.414 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.591 12.027 -2.281 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -11.873 11.368 -0.249 1.00 2.05 O ATOM 0 H GLU A 98 -7.336 9.265 -2.945 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.503 7.680 -1.898 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.038 10.179 -1.541 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.611 10.453 -3.174 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.800 9.370 -2.592 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.227 9.083 -0.961 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.772 8.635 -5.062 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.461 8.296 -6.341 1.00 0.14 C ATOM 1519 C ALA A 99 -10.106 6.874 -6.795 1.00 0.12 C ATOM 1520 O ALA A 99 -10.949 6.148 -7.279 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.035 9.292 -7.420 1.00 0.15 C ATOM 0 H ALA A 99 -9.132 9.427 -5.117 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.538 8.349 -6.181 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.536 9.049 -8.357 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.310 10.301 -7.113 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.955 9.237 -7.560 1.00 0.15 H new ATOM 1527 N THR A 100 -8.869 6.474 -6.665 1.00 0.11 N ATOM 1528 CA THR A 100 -8.475 5.105 -7.117 1.00 0.11 C ATOM 1529 C THR A 100 -9.187 4.051 -6.268 1.00 0.10 C ATOM 1530 O THR A 100 -9.721 3.087 -6.780 1.00 0.11 O ATOM 1531 CB THR A 100 -6.959 4.933 -6.977 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.308 6.101 -7.452 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.502 3.726 -7.796 1.00 0.12 C ATOM 0 H THR A 100 -8.115 7.034 -6.267 1.00 0.11 H new ATOM 0 HA THR A 100 -8.761 4.979 -8.161 1.00 0.11 H new ATOM 0 HB THR A 100 -6.706 4.774 -5.929 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.351 6.801 -6.767 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.423 3.605 -7.695 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.003 2.829 -7.433 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.753 3.882 -8.845 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.207 4.228 -4.978 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.895 3.232 -4.107 1.00 0.11 C ATOM 1543 C ILE A 101 -11.369 3.156 -4.518 1.00 0.13 C ATOM 1544 O ILE A 101 -11.890 2.094 -4.792 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.774 3.681 -2.639 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.325 3.447 -2.154 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.749 2.878 -1.763 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -8.026 4.296 -0.907 1.00 0.18 C ATOM 0 H ILE A 101 -8.780 5.015 -4.489 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.439 2.248 -4.216 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.020 4.740 -2.563 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.179 2.391 -1.925 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.624 3.701 -2.950 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.657 3.201 -0.726 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.770 3.046 -2.107 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.512 1.816 -1.834 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -7.001 4.117 -0.582 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.151 5.352 -1.147 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.714 4.022 -0.107 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.043 4.272 -4.567 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.480 4.259 -4.960 1.00 0.17 C ATOM 1562 C ASN A 102 -13.619 3.712 -6.384 1.00 0.18 C ATOM 1563 O ASN A 102 -14.692 3.339 -6.814 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.035 5.686 -4.907 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.526 5.667 -5.245 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -15.900 5.646 -6.400 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.401 5.676 -4.277 1.00 1.03 N ATOM 0 H ASN A 102 -11.660 5.193 -4.352 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.038 3.624 -4.272 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.882 6.110 -3.915 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.500 6.322 -5.612 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.398 5.665 -4.491 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -16.088 5.694 -3.306 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.543 3.665 -7.120 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.614 3.148 -8.516 1.00 0.18 C ATOM 1576 C GLU A 103 -12.693 1.617 -8.503 1.00 0.19 C ATOM 1577 O GLU A 103 -13.651 1.027 -8.963 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.360 3.587 -9.284 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.626 3.519 -10.791 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.499 4.705 -11.211 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -11.960 5.791 -11.352 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.689 4.507 -11.383 1.00 2.01 O ATOM 0 H GLU A 103 -11.616 3.963 -6.815 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.504 3.548 -9.002 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.085 4.602 -8.999 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.519 2.944 -9.024 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.684 3.536 -11.338 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.123 2.582 -11.041 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.679 0.971 -7.992 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.667 -0.523 -7.956 1.00 0.19 C ATOM 1591 C LEU A 104 -12.268 -1.024 -6.640 1.00 0.19 C ATOM 1592 O LEU A 104 -12.009 -2.131 -6.214 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.219 -1.010 -8.076 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.582 -0.438 -9.352 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.079 -0.725 -9.347 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.222 -1.079 -10.595 1.00 0.35 C ATOM 0 H LEU A 104 -10.852 1.416 -7.595 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.262 -0.910 -8.783 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.647 -0.698 -7.202 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.193 -2.099 -8.102 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.749 0.639 -9.380 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.628 -0.319 -10.252 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.622 -0.259 -8.474 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.914 -1.802 -9.311 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.764 -0.667 -11.494 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.065 -2.157 -10.570 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.291 -0.868 -10.604 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.073 -0.225 -5.993 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.686 -0.674 -4.710 1.00 0.22 C ATOM 1610 C VAL A 105 -14.594 -1.877 -4.977 1.00 0.26 C ATOM 1611 O VAL A 105 -14.588 -2.790 -4.168 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.515 0.462 -4.106 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.546 0.941 -5.128 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.235 -0.041 -2.852 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.282 -1.865 -5.985 1.00 1.18 O ATOM 0 H VAL A 105 -13.332 0.714 -6.295 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.897 -0.955 -4.012 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.857 1.289 -3.840 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.136 1.750 -4.698 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.034 1.301 -6.020 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.204 0.114 -5.396 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.825 0.768 -2.422 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.893 -0.869 -3.117 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.500 -0.381 -2.122 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.060 -0.326 5.588 1.00 0.00 N ATOM 1627 CA PHE B 1 22.452 0.906 5.009 1.00 0.00 C ATOM 1628 C PHE B 1 21.024 0.601 4.541 1.00 0.00 C ATOM 1629 O PHE B 1 20.623 -0.542 4.448 1.00 0.00 O ATOM 1630 CB PHE B 1 23.300 1.380 3.818 1.00 0.00 C ATOM 1631 CG PHE B 1 23.131 0.430 2.652 1.00 0.00 C ATOM 1632 CD1 PHE B 1 23.958 -0.705 2.538 1.00 0.00 C ATOM 1633 CD2 PHE B 1 22.141 0.680 1.681 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.796 -1.587 1.452 1.00 0.00 C ATOM 1635 CE2 PHE B 1 21.979 -0.202 0.596 1.00 0.00 C ATOM 1636 CZ PHE B 1 22.806 -1.337 0.482 1.00 0.00 C ATOM 0 H1 PHE B 1 23.721 -0.063 6.347 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.311 -0.933 5.977 1.00 0.00 H new ATOM 0 H3 PHE B 1 23.573 -0.842 4.845 1.00 0.00 H new ATOM 0 HA PHE B 1 22.421 1.690 5.766 1.00 0.00 H new ATOM 0 HB2 PHE B 1 23.000 2.386 3.525 1.00 0.00 H new ATOM 0 HB3 PHE B 1 24.350 1.432 4.106 1.00 0.00 H new ATOM 0 HD1 PHE B 1 24.716 -0.899 3.283 1.00 0.00 H new ATOM 0 HD2 PHE B 1 21.506 1.549 1.769 1.00 0.00 H new ATOM 0 HE1 PHE B 1 24.431 -2.456 1.363 1.00 0.00 H new ATOM 0 HE2 PHE B 1 21.221 -0.009 -0.149 1.00 0.00 H new ATOM 0 HZ PHE B 1 22.681 -2.015 -0.349 1.00 0.00 H new ATOM 1648 N ARG B 2 20.255 1.617 4.237 1.00 0.00 N ATOM 1649 CA ARG B 2 18.854 1.393 3.763 1.00 0.00 C ATOM 1650 C ARG B 2 18.530 2.403 2.658 1.00 0.00 C ATOM 1651 O ARG B 2 17.766 3.328 2.850 1.00 0.00 O ATOM 1652 CB ARG B 2 17.874 1.575 4.929 1.00 0.00 C ATOM 1653 CG ARG B 2 18.216 0.592 6.050 1.00 0.00 C ATOM 1654 CD ARG B 2 17.213 0.752 7.198 1.00 0.00 C ATOM 1655 NE ARG B 2 15.944 0.054 6.846 1.00 0.00 N ATOM 1656 CZ ARG B 2 15.052 -0.186 7.769 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.261 0.203 8.996 1.00 0.00 N ATOM 1658 NH2 ARG B 2 13.948 -0.810 7.463 1.00 0.00 N ATOM 0 H ARG B 2 20.538 2.595 4.297 1.00 0.00 H new ATOM 0 HA ARG B 2 18.760 0.379 3.374 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.924 2.598 5.302 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.852 1.410 4.587 1.00 0.00 H new ATOM 0 HG2 ARG B 2 18.191 -0.430 5.672 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.229 0.774 6.410 1.00 0.00 H new ATOM 0 HD2 ARG B 2 17.626 0.337 8.117 1.00 0.00 H new ATOM 0 HD3 ARG B 2 17.021 1.809 7.383 1.00 0.00 H new ATOM 0 HE ARG B 2 15.772 -0.236 5.883 1.00 0.00 H new ATOM 0 HH11 ARG B 2 16.122 0.695 9.235 1.00 0.00 H new ATOM 0 HH12 ARG B 2 14.564 0.015 9.716 1.00 0.00 H new ATOM 0 HH21 ARG B 2 13.781 -1.111 6.503 1.00 0.00 H new ATOM 0 HH22 ARG B 2 13.251 -0.997 8.184 1.00 0.00 H new ATOM 1672 N PHE B 3 19.111 2.227 1.497 1.00 0.00 N ATOM 1673 CA PHE B 3 18.857 3.166 0.358 1.00 0.00 C ATOM 1674 C PHE B 3 18.589 2.354 -0.912 1.00 0.00 C ATOM 1675 O PHE B 3 19.007 1.218 -1.029 1.00 0.00 O ATOM 1676 CB PHE B 3 20.093 4.041 0.144 1.00 0.00 C ATOM 1677 CG PHE B 3 20.203 5.049 1.265 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.631 4.638 2.544 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.882 6.400 1.033 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.739 5.578 3.587 1.00 0.00 C ATOM 1681 CE2 PHE B 3 19.988 7.340 2.076 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.417 6.929 3.353 1.00 0.00 C ATOM 0 H PHE B 3 19.757 1.466 1.287 1.00 0.00 H new ATOM 0 HA PHE B 3 17.995 3.794 0.582 1.00 0.00 H new ATOM 0 HB2 PHE B 3 20.989 3.420 0.111 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.025 4.555 -0.815 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.876 3.602 2.724 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.554 6.716 0.054 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.069 5.263 4.566 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.740 8.376 1.897 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.499 7.650 4.153 1.00 0.00 H new ATOM 1692 N ARG B 4 17.900 2.922 -1.871 1.00 0.00 N ATOM 1693 CA ARG B 4 17.616 2.173 -3.134 1.00 0.00 C ATOM 1694 C ARG B 4 17.569 3.154 -4.316 1.00 0.00 C ATOM 1695 O ARG B 4 18.543 3.304 -5.028 1.00 0.00 O ATOM 1696 CB ARG B 4 16.279 1.421 -2.995 1.00 0.00 C ATOM 1697 CG ARG B 4 16.250 0.208 -3.949 1.00 0.00 C ATOM 1698 CD ARG B 4 16.922 -1.008 -3.300 1.00 0.00 C ATOM 1699 NE ARG B 4 16.661 -2.214 -4.138 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.381 -3.290 -3.982 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.348 -3.308 -3.108 1.00 0.00 N ATOM 1702 NH2 ARG B 4 17.133 -4.350 -4.703 1.00 0.00 N ATOM 0 H ARG B 4 17.523 3.869 -1.834 1.00 0.00 H new ATOM 0 HA ARG B 4 18.407 1.446 -3.319 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.146 1.087 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.450 2.092 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.219 -0.034 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.760 0.458 -4.879 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.995 -0.840 -3.207 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.534 -1.159 -2.293 1.00 0.00 H new ATOM 0 HE ARG B 4 15.917 -2.197 -4.835 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.542 -2.480 -2.545 1.00 0.00 H new ATOM 0 HH12 ARG B 4 18.910 -4.150 -2.987 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.377 -4.336 -5.387 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.696 -5.192 -4.582 1.00 0.00 H new ATOM 1716 N TYR B 5 16.457 3.833 -4.531 1.00 0.00 N ATOM 1717 CA TYR B 5 16.370 4.815 -5.671 1.00 0.00 C ATOM 1718 C TYR B 5 15.829 6.167 -5.176 1.00 0.00 C ATOM 1719 O TYR B 5 15.795 6.443 -3.993 1.00 0.00 O ATOM 1720 CB TYR B 5 15.494 4.261 -6.814 1.00 0.00 C ATOM 1721 CG TYR B 5 14.298 3.515 -6.290 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.375 2.132 -6.043 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.091 4.199 -6.089 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.239 1.436 -5.582 1.00 0.00 C ATOM 1725 CE2 TYR B 5 11.959 3.507 -5.637 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.030 2.125 -5.381 1.00 0.00 C ATOM 1727 OH TYR B 5 10.913 1.448 -4.936 1.00 0.00 O ATOM 0 H TYR B 5 15.610 3.750 -3.969 1.00 0.00 H new ATOM 0 HA TYR B 5 17.375 4.968 -6.064 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.161 5.083 -7.448 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.090 3.598 -7.440 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.303 1.604 -6.206 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.033 5.260 -6.283 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.297 0.376 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.030 4.036 -5.485 1.00 0.00 H new ATOM 0 HH TYR B 5 11.177 0.566 -4.600 1.00 0.00 H new ATOM 1737 N VAL B 6 15.457 7.029 -6.088 1.00 0.00 N ATOM 1738 CA VAL B 6 14.977 8.392 -5.706 1.00 0.00 C ATOM 1739 C VAL B 6 13.570 8.370 -5.098 1.00 0.00 C ATOM 1740 O VAL B 6 12.735 7.554 -5.438 1.00 0.00 O ATOM 1741 CB VAL B 6 14.948 9.277 -6.959 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.969 10.751 -6.554 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.165 8.971 -7.826 1.00 0.00 C ATOM 0 H VAL B 6 15.465 6.845 -7.091 1.00 0.00 H new ATOM 0 HA VAL B 6 15.663 8.781 -4.953 1.00 0.00 H new ATOM 0 HB VAL B 6 14.037 9.072 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.948 11.374 -7.448 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.097 10.971 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.876 10.960 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.145 9.600 -8.716 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.075 9.172 -7.260 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.146 7.922 -8.122 1.00 0.00 H new ATOM 1753 N CYS B 7 13.302 9.314 -4.226 1.00 0.00 N ATOM 1754 CA CYS B 7 11.950 9.430 -3.604 1.00 0.00 C ATOM 1755 C CYS B 7 11.197 10.550 -4.320 1.00 0.00 C ATOM 1756 O CYS B 7 11.323 11.710 -3.980 1.00 0.00 O ATOM 1757 CB CYS B 7 12.079 9.769 -2.114 1.00 0.00 C ATOM 1758 SG CYS B 7 13.424 8.810 -1.378 1.00 0.00 S ATOM 0 H CYS B 7 13.974 10.017 -3.917 1.00 0.00 H new ATOM 0 HA CYS B 7 11.414 8.485 -3.697 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.271 10.835 -1.990 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.142 9.552 -1.600 1.00 0.00 H new ATOM 1763 N GLU B 8 10.429 10.222 -5.321 1.00 0.00 N ATOM 1764 CA GLU B 8 9.692 11.281 -6.065 1.00 0.00 C ATOM 1765 C GLU B 8 8.389 11.625 -5.345 1.00 0.00 C ATOM 1766 O GLU B 8 7.349 11.789 -5.959 1.00 0.00 O ATOM 1767 CB GLU B 8 9.383 10.792 -7.482 1.00 0.00 C ATOM 1768 CG GLU B 8 8.871 9.351 -7.424 1.00 0.00 C ATOM 1769 CD GLU B 8 8.189 8.997 -8.747 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.749 9.317 -9.784 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.119 8.412 -8.703 1.00 0.00 O ATOM 0 H GLU B 8 10.280 9.270 -5.655 1.00 0.00 H new ATOM 0 HA GLU B 8 10.313 12.175 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.636 11.436 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.279 10.846 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.699 8.667 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.168 9.237 -6.599 1.00 0.00 H new ATOM 1778 N GLY B 9 8.439 11.768 -4.053 1.00 0.00 N ATOM 1779 CA GLY B 9 7.205 12.141 -3.311 1.00 0.00 C ATOM 1780 C GLY B 9 6.864 13.592 -3.705 1.00 0.00 C ATOM 1781 O GLY B 9 6.858 13.889 -4.883 1.00 0.00 O ATOM 0 H GLY B 9 9.274 11.644 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.385 11.470 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.362 12.060 -2.235 1.00 0.00 H new ATOM 1785 N PRO B 10 6.617 14.485 -2.758 1.00 0.00 N ATOM 1786 CA PRO B 10 6.325 15.888 -3.119 1.00 0.00 C ATOM 1787 C PRO B 10 7.575 16.522 -3.757 1.00 0.00 C ATOM 1788 O PRO B 10 7.725 17.728 -3.797 1.00 0.00 O ATOM 1789 CB PRO B 10 5.954 16.579 -1.784 1.00 0.00 C ATOM 1790 CG PRO B 10 6.111 15.519 -0.652 1.00 0.00 C ATOM 1791 CD PRO B 10 6.587 14.200 -1.306 1.00 0.00 C ATOM 0 HA PRO B 10 5.518 15.984 -3.845 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.604 17.435 -1.601 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.932 16.956 -1.818 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.831 15.858 0.093 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.164 15.369 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.572 13.910 -0.940 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.908 13.378 -1.078 1.00 0.00 H new ATOM 1799 N SER B 11 8.469 15.709 -4.254 1.00 0.00 N ATOM 1800 CA SER B 11 9.711 16.231 -4.890 1.00 0.00 C ATOM 1801 C SER B 11 9.450 16.504 -6.376 1.00 0.00 C ATOM 1802 O SER B 11 10.058 17.367 -6.976 1.00 0.00 O ATOM 1803 CB SER B 11 10.822 15.184 -4.743 1.00 0.00 C ATOM 1804 OG SER B 11 12.088 15.817 -4.887 1.00 0.00 O ATOM 0 H SER B 11 8.389 14.692 -4.245 1.00 0.00 H new ATOM 0 HA SER B 11 10.014 17.159 -4.405 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.754 14.699 -3.769 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.705 14.405 -5.496 1.00 0.00 H new ATOM 0 HG SER B 11 12.800 15.150 -4.792 1.00 0.00 H new ATOM 1810 N HIS B 12 8.548 15.770 -6.972 1.00 0.00 N ATOM 1811 CA HIS B 12 8.249 15.981 -8.417 1.00 0.00 C ATOM 1812 C HIS B 12 7.387 17.235 -8.584 1.00 0.00 C ATOM 1813 O HIS B 12 6.690 17.646 -7.679 1.00 0.00 O ATOM 1814 CB HIS B 12 7.494 14.766 -8.963 1.00 0.00 C ATOM 1815 CG HIS B 12 7.140 14.999 -10.406 1.00 0.00 C ATOM 1816 ND1 HIS B 12 8.011 14.691 -11.440 1.00 0.00 N ATOM 1817 CD2 HIS B 12 6.012 15.505 -11.004 1.00 0.00 C ATOM 1818 CE1 HIS B 12 7.399 15.011 -12.594 1.00 0.00 C ATOM 1819 NE2 HIS B 12 6.178 15.511 -12.386 1.00 0.00 N ATOM 0 H HIS B 12 8.006 15.034 -6.520 1.00 0.00 H new ATOM 0 HA HIS B 12 9.182 16.107 -8.966 1.00 0.00 H new ATOM 0 HB2 HIS B 12 8.109 13.871 -8.869 1.00 0.00 H new ATOM 0 HB3 HIS B 12 6.590 14.595 -8.379 1.00 0.00 H new ATOM 0 HD2 HIS B 12 5.130 15.846 -10.482 1.00 0.00 H new ATOM 0 HE1 HIS B 12 7.841 14.880 -13.571 1.00 0.00 H new ATOM 0 HE2 HIS B 12 5.511 15.829 -13.089 1.00 0.00 H new ATOM 1827 N GLY B 13 7.428 17.844 -9.738 1.00 0.00 N ATOM 1828 CA GLY B 13 6.612 19.070 -9.964 1.00 0.00 C ATOM 1829 C GLY B 13 6.783 19.540 -11.410 1.00 0.00 C ATOM 1830 O GLY B 13 5.846 19.386 -12.177 1.00 0.00 O ATOM 1831 OXT GLY B 13 7.847 20.044 -11.726 1.00 0.00 O ATOM 0 H GLY B 13 7.992 17.545 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY B 13 5.562 18.863 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY B 13 6.921 19.857 -9.276 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.530 -10.069 -1.132 1.00 0.24 O HETATM 1839 O HOH A 107 8.258 -2.842 5.030 1.00 0.40 O HETATM 1842 O HOH A 108 12.501 1.331 2.160 1.00 0.32 O HETATM 1845 O HOH A 109 -8.784 -8.097 0.298 1.00 0.26 O HETATM 1848 O HOH A 110 -7.387 -12.981 0.545 1.00 0.21 O HETATM 1851 O HOH A 111 -12.180 -2.653 0.243 1.00 0.37 O