USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 75:sc= 1.2 USER MOD Set 1.2: A 66 ASN : amide:sc= -0.751! C(o=0.45!,f=-11!) USER MOD Set 2.1: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 63 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0.082 USER MOD Set 3.2: A 71 LYS NZ :NH3+ -133:sc= 0.167 (180deg=-0.471) USER MOD Set 4.1: A 24 SER OG : rot 91:sc= 0.0482 USER MOD Set 4.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 17 ASN : amide:sc= 1.12 K(o=0.029,f=-1.1) USER MOD Set 5.2: A 80 HIS : no HD1:sc= -1.09! C(o=0.029!,f=-3.6!) USER MOD Set 6.1: A 8 GLN : amide:sc= -0.36 K(o=0.087,f=-0.73) USER MOD Set 6.2: A 10 THR OG1 : rot -166:sc= 0.448 USER MOD Set 7.1: A 5 LYS NZ :NH3+ -169:sc= 1.43 (180deg=0.731) USER MOD Set 7.2: A 7 ASN : amide:sc= -3.31! C(o=-1.9!,f=-6.3!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.107 (180deg=-0.652) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.133 (180deg=-0.0602) USER MOD Single : A 12 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : A 13 TYR OH : rot 20:sc= 0.817 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 32 ASN : amide:sc= -0.246 K(o=-0.25,f=-0.9) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc=-0.00631 (180deg=-0.106) USER MOD Single : A 46 THR OG1 : rot 165:sc= -2.55! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00665 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -146:sc= 1.25 USER MOD Single : A 70 GLN : amide:sc= -0.592 K(o=-0.59,f=-2.2) USER MOD Single : A 72 LYS NZ :NH3+ -112:sc= -0.517 (180deg=-2.31!) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 84 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.0079) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.902 14.923 13.565 1.00 0.00 N ATOM 2 CA MET A 1 18.873 14.975 12.504 1.00 0.00 C ATOM 3 C MET A 1 19.533 15.115 11.143 1.00 0.00 C ATOM 4 O MET A 1 20.760 15.153 11.050 1.00 0.00 O ATOM 5 CB MET A 1 17.917 16.149 12.734 1.00 0.00 C ATOM 6 CG MET A 1 17.067 16.015 13.985 1.00 0.00 C ATOM 7 SD MET A 1 15.932 17.399 14.202 1.00 0.00 S ATOM 8 CE MET A 1 17.084 18.759 14.369 1.00 0.00 C ATOM 0 H1 MET A 1 19.812 14.031 14.092 1.00 0.00 H new ATOM 0 H2 MET A 1 20.847 14.977 13.135 1.00 0.00 H new ATOM 0 H3 MET A 1 19.771 15.724 14.215 1.00 0.00 H new ATOM 0 HA MET A 1 18.303 14.047 12.536 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.497 17.070 12.798 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.260 16.245 11.869 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.497 15.087 13.935 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.718 15.943 14.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.592 19.594 14.868 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.942 18.438 14.960 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.421 19.074 13.381 1.00 0.00 H new ATOM 20 N ASP A 2 18.708 15.198 10.098 1.00 0.00 N ATOM 21 CA ASP A 2 19.183 15.329 8.719 1.00 0.00 C ATOM 22 C ASP A 2 20.009 14.116 8.310 1.00 0.00 C ATOM 23 O ASP A 2 21.240 14.147 8.327 1.00 0.00 O ATOM 24 CB ASP A 2 19.996 16.615 8.517 1.00 0.00 C ATOM 25 CG ASP A 2 19.180 17.867 8.762 1.00 0.00 C ATOM 26 OD1 ASP A 2 18.217 18.113 8.007 1.00 0.00 O ATOM 27 OD2 ASP A 2 19.489 18.606 9.721 1.00 0.00 O ATOM 0 H ASP A 2 17.692 15.176 10.183 1.00 0.00 H new ATOM 0 HA ASP A 2 18.302 15.385 8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.853 16.607 9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.389 16.636 7.501 1.00 0.00 H new ATOM 32 N PHE A 3 19.322 13.037 7.970 1.00 0.00 N ATOM 33 CA PHE A 3 19.980 11.805 7.567 1.00 0.00 C ATOM 34 C PHE A 3 19.100 11.039 6.589 1.00 0.00 C ATOM 35 O PHE A 3 17.885 10.946 6.775 1.00 0.00 O ATOM 36 CB PHE A 3 20.292 10.939 8.795 1.00 0.00 C ATOM 37 CG PHE A 3 21.083 9.698 8.481 1.00 0.00 C ATOM 38 CD1 PHE A 3 22.455 9.765 8.303 1.00 0.00 C ATOM 39 CD2 PHE A 3 20.456 8.468 8.371 1.00 0.00 C ATOM 40 CE1 PHE A 3 23.185 8.628 8.014 1.00 0.00 C ATOM 41 CE2 PHE A 3 21.181 7.327 8.083 1.00 0.00 C ATOM 42 CZ PHE A 3 22.547 7.408 7.905 1.00 0.00 C ATOM 0 H PHE A 3 18.303 12.990 7.965 1.00 0.00 H new ATOM 0 HA PHE A 3 20.919 12.055 7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.846 11.538 9.518 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.355 10.650 9.271 1.00 0.00 H new ATOM 0 HD1 PHE A 3 22.959 10.716 8.391 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.387 8.400 8.512 1.00 0.00 H new ATOM 0 HE1 PHE A 3 24.254 8.693 7.873 1.00 0.00 H new ATOM 0 HE2 PHE A 3 20.680 6.374 7.997 1.00 0.00 H new ATOM 0 HZ PHE A 3 23.117 6.518 7.681 1.00 0.00 H new ATOM 52 N GLY A 4 19.710 10.514 5.542 1.00 0.00 N ATOM 53 CA GLY A 4 18.978 9.738 4.567 1.00 0.00 C ATOM 54 C GLY A 4 18.372 10.605 3.487 1.00 0.00 C ATOM 55 O GLY A 4 19.091 11.262 2.733 1.00 0.00 O ATOM 0 H GLY A 4 20.707 10.612 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.646 9.007 4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.188 9.179 5.069 1.00 0.00 H new ATOM 59 N LYS A 5 17.049 10.620 3.430 1.00 0.00 N ATOM 60 CA LYS A 5 16.321 11.348 2.399 1.00 0.00 C ATOM 61 C LYS A 5 14.833 11.301 2.720 1.00 0.00 C ATOM 62 O LYS A 5 14.438 10.642 3.683 1.00 0.00 O ATOM 63 CB LYS A 5 16.567 10.698 1.031 1.00 0.00 C ATOM 64 CG LYS A 5 15.974 9.303 0.923 1.00 0.00 C ATOM 65 CD LYS A 5 16.286 8.650 -0.407 1.00 0.00 C ATOM 66 CE LYS A 5 15.661 7.267 -0.490 1.00 0.00 C ATOM 67 NZ LYS A 5 16.051 6.412 0.663 1.00 0.00 N ATOM 0 H LYS A 5 16.450 10.130 4.094 1.00 0.00 H new ATOM 0 HA LYS A 5 16.665 12.382 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.140 11.330 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.640 10.646 0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.362 8.682 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.893 9.358 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.911 9.273 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.366 8.574 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.575 7.361 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.967 6.786 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.763 5.430 0.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.082 6.452 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.581 6.756 1.525 1.00 0.00 H new ATOM 81 N PRO A 6 13.988 12.013 1.957 1.00 0.00 N ATOM 82 CA PRO A 6 12.543 11.800 2.006 1.00 0.00 C ATOM 83 C PRO A 6 12.200 10.405 1.488 1.00 0.00 C ATOM 84 O PRO A 6 12.173 10.169 0.278 1.00 0.00 O ATOM 85 CB PRO A 6 11.971 12.883 1.080 1.00 0.00 C ATOM 86 CG PRO A 6 13.074 13.874 0.906 1.00 0.00 C ATOM 87 CD PRO A 6 14.352 13.096 1.030 1.00 0.00 C ATOM 0 HA PRO A 6 12.138 11.865 3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.666 12.461 0.122 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.089 13.349 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 6 13.008 14.364 -0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.019 14.657 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 6 14.684 12.709 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.162 13.710 1.424 1.00 0.00 H new ATOM 95 N ASN A 7 11.978 9.478 2.408 1.00 0.00 N ATOM 96 CA ASN A 7 11.814 8.074 2.048 1.00 0.00 C ATOM 97 C ASN A 7 10.407 7.803 1.560 1.00 0.00 C ATOM 98 O ASN A 7 9.457 8.446 2.000 1.00 0.00 O ATOM 99 CB ASN A 7 12.141 7.163 3.231 1.00 0.00 C ATOM 100 CG ASN A 7 13.518 7.430 3.796 1.00 0.00 C ATOM 101 OD1 ASN A 7 14.530 6.968 3.260 1.00 0.00 O ATOM 102 ND2 ASN A 7 13.565 8.165 4.894 1.00 0.00 N ATOM 0 H ASN A 7 11.907 9.670 3.407 1.00 0.00 H new ATOM 0 HA ASN A 7 12.512 7.857 1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.396 7.305 4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.076 6.122 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.463 8.371 5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.703 8.526 5.303 1.00 0.00 H new ATOM 109 N GLN A 8 10.278 6.841 0.661 1.00 0.00 N ATOM 110 CA GLN A 8 9.005 6.565 0.021 1.00 0.00 C ATOM 111 C GLN A 8 8.516 5.154 0.321 1.00 0.00 C ATOM 112 O GLN A 8 9.167 4.164 -0.019 1.00 0.00 O ATOM 113 CB GLN A 8 9.124 6.771 -1.492 1.00 0.00 C ATOM 114 CG GLN A 8 7.907 6.302 -2.274 1.00 0.00 C ATOM 115 CD GLN A 8 8.036 6.565 -3.760 1.00 0.00 C ATOM 116 OE1 GLN A 8 8.637 7.555 -4.182 1.00 0.00 O ATOM 117 NE2 GLN A 8 7.490 5.669 -4.564 1.00 0.00 N ATOM 0 H GLN A 8 11.042 6.237 0.358 1.00 0.00 H new ATOM 0 HA GLN A 8 8.271 7.262 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.287 7.830 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.004 6.238 -1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.762 5.234 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.019 6.807 -1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.001 4.864 -4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.558 5.783 -5.575 1.00 0.00 H new ATOM 126 N VAL A 9 7.374 5.079 0.981 1.00 0.00 N ATOM 127 CA VAL A 9 6.694 3.817 1.195 1.00 0.00 C ATOM 128 C VAL A 9 5.541 3.696 0.204 1.00 0.00 C ATOM 129 O VAL A 9 4.549 4.414 0.302 1.00 0.00 O ATOM 130 CB VAL A 9 6.154 3.700 2.636 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.504 2.344 2.862 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.265 3.937 3.647 1.00 0.00 C ATOM 0 H VAL A 9 6.896 5.886 1.381 1.00 0.00 H new ATOM 0 HA VAL A 9 7.411 3.011 1.041 1.00 0.00 H new ATOM 0 HB VAL A 9 5.394 4.468 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.131 2.285 3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.675 2.217 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.239 1.556 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.863 3.850 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.051 3.196 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.678 4.936 3.506 1.00 0.00 H new ATOM 142 N THR A 10 5.678 2.805 -0.758 1.00 0.00 N ATOM 143 CA THR A 10 4.683 2.669 -1.802 1.00 0.00 C ATOM 144 C THR A 10 3.607 1.670 -1.393 1.00 0.00 C ATOM 145 O THR A 10 3.868 0.477 -1.239 1.00 0.00 O ATOM 146 CB THR A 10 5.329 2.234 -3.132 1.00 0.00 C ATOM 147 OG1 THR A 10 6.463 3.071 -3.418 1.00 0.00 O ATOM 148 CG2 THR A 10 4.329 2.325 -4.275 1.00 0.00 C ATOM 0 H THR A 10 6.468 2.165 -0.838 1.00 0.00 H new ATOM 0 HA THR A 10 4.220 3.645 -1.948 1.00 0.00 H new ATOM 0 HB THR A 10 5.652 1.198 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.735 2.946 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.808 2.013 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.480 1.674 -4.068 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.982 3.354 -4.374 1.00 0.00 H new ATOM 156 N VAL A 11 2.404 2.177 -1.190 1.00 0.00 N ATOM 157 CA VAL A 11 1.277 1.354 -0.799 1.00 0.00 C ATOM 158 C VAL A 11 0.516 0.883 -2.034 1.00 0.00 C ATOM 159 O VAL A 11 -0.099 1.684 -2.741 1.00 0.00 O ATOM 160 CB VAL A 11 0.328 2.133 0.132 1.00 0.00 C ATOM 161 CG1 VAL A 11 -0.851 1.273 0.560 1.00 0.00 C ATOM 162 CG2 VAL A 11 1.086 2.652 1.344 1.00 0.00 C ATOM 0 H VAL A 11 2.183 3.168 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 11 1.659 0.487 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.068 2.985 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.503 1.850 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.410 0.958 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.486 0.394 1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.403 3.200 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.513 1.813 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.886 3.316 1.016 1.00 0.00 H new ATOM 172 N ASN A 12 0.573 -0.408 -2.298 1.00 0.00 N ATOM 173 CA ASN A 12 -0.079 -0.974 -3.466 1.00 0.00 C ATOM 174 C ASN A 12 -1.367 -1.676 -3.075 1.00 0.00 C ATOM 175 O ASN A 12 -1.349 -2.682 -2.367 1.00 0.00 O ATOM 176 CB ASN A 12 0.850 -1.953 -4.193 1.00 0.00 C ATOM 177 CG ASN A 12 1.931 -1.250 -4.995 1.00 0.00 C ATOM 178 OD1 ASN A 12 3.008 -0.947 -4.482 1.00 0.00 O ATOM 179 ND2 ASN A 12 1.652 -0.998 -6.264 1.00 0.00 N ATOM 0 H ASN A 12 1.065 -1.088 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.317 -0.154 -4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.317 -2.614 -3.463 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.259 -2.581 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.342 -0.536 -6.856 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.747 -1.266 -6.650 1.00 0.00 H new ATOM 186 N TYR A 13 -2.483 -1.124 -3.523 1.00 0.00 N ATOM 187 CA TYR A 13 -3.783 -1.730 -3.292 1.00 0.00 C ATOM 188 C TYR A 13 -4.027 -2.816 -4.329 1.00 0.00 C ATOM 189 O TYR A 13 -4.378 -2.533 -5.480 1.00 0.00 O ATOM 190 CB TYR A 13 -4.884 -0.669 -3.349 1.00 0.00 C ATOM 191 CG TYR A 13 -4.710 0.441 -2.332 1.00 0.00 C ATOM 192 CD1 TYR A 13 -5.187 0.299 -1.037 1.00 0.00 C ATOM 193 CD2 TYR A 13 -4.069 1.630 -2.667 1.00 0.00 C ATOM 194 CE1 TYR A 13 -5.034 1.305 -0.104 1.00 0.00 C ATOM 195 CE2 TYR A 13 -3.913 2.643 -1.739 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.397 2.476 -0.459 1.00 0.00 C ATOM 197 OH TYR A 13 -4.251 3.484 0.469 1.00 0.00 O ATOM 0 H TYR A 13 -2.514 -0.252 -4.052 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.800 -2.179 -2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.907 -0.234 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.849 -1.150 -3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.687 -0.615 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.687 1.764 -3.668 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.411 1.176 0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.415 3.560 -2.015 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.356 3.116 1.371 1.00 0.00 H new ATOM 207 N LEU A 14 -3.820 -4.057 -3.922 1.00 0.00 N ATOM 208 CA LEU A 14 -3.842 -5.176 -4.847 1.00 0.00 C ATOM 209 C LEU A 14 -5.175 -5.909 -4.825 1.00 0.00 C ATOM 210 O LEU A 14 -6.101 -5.541 -4.100 1.00 0.00 O ATOM 211 CB LEU A 14 -2.711 -6.156 -4.523 1.00 0.00 C ATOM 212 CG LEU A 14 -1.294 -5.588 -4.640 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.267 -6.669 -4.347 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.065 -4.993 -6.022 1.00 0.00 C ATOM 0 H LEU A 14 -3.634 -4.315 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.700 -4.769 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.853 -6.525 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.796 -7.015 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.180 -4.792 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.736 -6.251 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.416 -7.048 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.383 -7.484 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.052 -4.595 -6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.197 -5.767 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.781 -4.190 -6.196 1.00 0.00 H new ATOM 226 N ASP A 15 -5.234 -6.962 -5.618 1.00 0.00 N ATOM 227 CA ASP A 15 -6.437 -7.753 -5.810 1.00 0.00 C ATOM 228 C ASP A 15 -6.096 -9.223 -5.578 1.00 0.00 C ATOM 229 O ASP A 15 -4.939 -9.555 -5.323 1.00 0.00 O ATOM 230 CB ASP A 15 -6.943 -7.525 -7.247 1.00 0.00 C ATOM 231 CG ASP A 15 -8.236 -8.242 -7.588 1.00 0.00 C ATOM 232 OD1 ASP A 15 -9.316 -7.651 -7.398 1.00 0.00 O ATOM 233 OD2 ASP A 15 -8.170 -9.382 -8.100 1.00 0.00 O ATOM 0 H ASP A 15 -4.435 -7.298 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.219 -7.461 -5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.086 -6.455 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.170 -7.848 -7.945 1.00 0.00 H new ATOM 238 N GLU A 16 -7.083 -10.095 -5.667 1.00 0.00 N ATOM 239 CA GLU A 16 -6.848 -11.534 -5.621 1.00 0.00 C ATOM 240 C GLU A 16 -6.005 -11.942 -6.826 1.00 0.00 C ATOM 241 O GLU A 16 -5.167 -12.841 -6.752 1.00 0.00 O ATOM 242 CB GLU A 16 -8.175 -12.298 -5.623 1.00 0.00 C ATOM 243 CG GLU A 16 -8.005 -13.806 -5.702 1.00 0.00 C ATOM 244 CD GLU A 16 -9.324 -14.546 -5.761 1.00 0.00 C ATOM 245 OE1 GLU A 16 -10.069 -14.361 -6.746 1.00 0.00 O ATOM 246 OE2 GLU A 16 -9.604 -15.335 -4.835 1.00 0.00 O ATOM 0 H GLU A 16 -8.063 -9.833 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.317 -11.780 -4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.730 -12.050 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.777 -11.963 -6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.415 -14.054 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.441 -14.149 -4.835 1.00 0.00 H new ATOM 253 N ASN A 17 -6.232 -11.248 -7.931 1.00 0.00 N ATOM 254 CA ASN A 17 -5.448 -11.429 -9.146 1.00 0.00 C ATOM 255 C ASN A 17 -4.198 -10.566 -9.068 1.00 0.00 C ATOM 256 O ASN A 17 -3.423 -10.468 -10.018 1.00 0.00 O ATOM 257 CB ASN A 17 -6.282 -11.046 -10.372 1.00 0.00 C ATOM 258 CG ASN A 17 -7.516 -11.914 -10.519 1.00 0.00 C ATOM 259 OD1 ASN A 17 -7.495 -12.928 -11.215 1.00 0.00 O ATOM 260 ND2 ASN A 17 -8.595 -11.532 -9.851 1.00 0.00 N ATOM 0 H ASN A 17 -6.965 -10.543 -8.012 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.158 -12.476 -9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.582 -10.001 -10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.669 -11.135 -11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.450 -12.086 -9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.571 -10.684 -9.285 1.00 0.00 H new ATOM 267 N ASN A 18 -4.041 -9.930 -7.910 1.00 0.00 N ATOM 268 CA ASN A 18 -2.898 -9.079 -7.589 1.00 0.00 C ATOM 269 C ASN A 18 -2.811 -7.867 -8.507 1.00 0.00 C ATOM 270 O ASN A 18 -1.777 -7.207 -8.587 1.00 0.00 O ATOM 271 CB ASN A 18 -1.583 -9.868 -7.624 1.00 0.00 C ATOM 272 CG ASN A 18 -1.474 -10.866 -6.486 1.00 0.00 C ATOM 273 OD1 ASN A 18 -0.999 -10.535 -5.400 1.00 0.00 O ATOM 274 ND2 ASN A 18 -1.902 -12.095 -6.729 1.00 0.00 N ATOM 0 H ASN A 18 -4.720 -9.993 -7.152 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.057 -8.717 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.505 -10.396 -8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.745 -9.173 -7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.844 -12.808 -6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.289 -12.329 -7.643 1.00 0.00 H new ATOM 281 N THR A 19 -3.905 -7.564 -9.178 1.00 0.00 N ATOM 282 CA THR A 19 -3.968 -6.395 -10.030 1.00 0.00 C ATOM 283 C THR A 19 -4.292 -5.167 -9.189 1.00 0.00 C ATOM 284 O THR A 19 -5.186 -5.212 -8.346 1.00 0.00 O ATOM 285 CB THR A 19 -5.038 -6.575 -11.122 1.00 0.00 C ATOM 286 OG1 THR A 19 -4.875 -7.855 -11.748 1.00 0.00 O ATOM 287 CG2 THR A 19 -4.942 -5.479 -12.174 1.00 0.00 C ATOM 0 H THR A 19 -4.764 -8.113 -9.149 1.00 0.00 H new ATOM 0 HA THR A 19 -3.000 -6.263 -10.513 1.00 0.00 H new ATOM 0 HB THR A 19 -6.019 -6.512 -10.651 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.558 -7.969 -12.442 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.710 -5.633 -12.931 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.088 -4.508 -11.702 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.959 -5.510 -12.643 1.00 0.00 H new ATOM 295 N SER A 20 -3.551 -4.088 -9.392 1.00 0.00 N ATOM 296 CA SER A 20 -3.781 -2.866 -8.643 1.00 0.00 C ATOM 297 C SER A 20 -5.153 -2.285 -8.978 1.00 0.00 C ATOM 298 O SER A 20 -5.366 -1.743 -10.063 1.00 0.00 O ATOM 299 CB SER A 20 -2.676 -1.854 -8.942 1.00 0.00 C ATOM 300 OG SER A 20 -1.398 -2.404 -8.656 1.00 0.00 O ATOM 0 H SER A 20 -2.788 -4.035 -10.067 1.00 0.00 H new ATOM 0 HA SER A 20 -3.762 -3.096 -7.578 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.723 -1.556 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.831 -0.953 -8.348 1.00 0.00 H new ATOM 0 HG SER A 20 -0.704 -1.741 -8.856 1.00 0.00 H new ATOM 306 N ILE A 21 -6.087 -2.434 -8.048 1.00 0.00 N ATOM 307 CA ILE A 21 -7.440 -1.922 -8.231 1.00 0.00 C ATOM 308 C ILE A 21 -7.489 -0.436 -7.907 1.00 0.00 C ATOM 309 O ILE A 21 -8.422 0.271 -8.288 1.00 0.00 O ATOM 310 CB ILE A 21 -8.463 -2.686 -7.361 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.995 -2.740 -5.900 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.682 -4.089 -7.913 1.00 0.00 C ATOM 313 CD1 ILE A 21 -8.960 -3.455 -4.979 1.00 0.00 C ATOM 0 H ILE A 21 -5.933 -2.906 -7.157 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.711 -2.074 -9.276 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.413 -2.153 -7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.027 -3.239 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.846 -1.723 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.405 -4.616 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.061 -4.024 -8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.737 -4.632 -7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.563 -3.454 -3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.923 -2.944 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.091 -4.483 -5.316 1.00 0.00 H new ATOM 325 N ALA A 22 -6.469 0.024 -7.203 1.00 0.00 N ATOM 326 CA ALA A 22 -6.312 1.432 -6.897 1.00 0.00 C ATOM 327 C ALA A 22 -4.865 1.837 -7.126 1.00 0.00 C ATOM 328 O ALA A 22 -3.954 1.052 -6.857 1.00 0.00 O ATOM 329 CB ALA A 22 -6.736 1.719 -5.462 1.00 0.00 C ATOM 0 H ALA A 22 -5.728 -0.569 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.953 2.018 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.611 2.781 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.782 1.444 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.119 1.138 -4.777 1.00 0.00 H new ATOM 335 N PRO A 23 -4.634 3.052 -7.652 1.00 0.00 N ATOM 336 CA PRO A 23 -3.285 3.558 -7.915 1.00 0.00 C ATOM 337 C PRO A 23 -2.408 3.510 -6.668 1.00 0.00 C ATOM 338 O PRO A 23 -2.867 3.822 -5.565 1.00 0.00 O ATOM 339 CB PRO A 23 -3.510 5.013 -8.359 1.00 0.00 C ATOM 340 CG PRO A 23 -4.921 5.330 -7.989 1.00 0.00 C ATOM 341 CD PRO A 23 -5.663 4.027 -8.033 1.00 0.00 C ATOM 0 HA PRO A 23 -2.766 2.958 -8.662 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.813 5.687 -7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.351 5.125 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.973 5.775 -6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.354 6.049 -8.684 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.505 4.018 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.065 3.824 -9.026 1.00 0.00 H new ATOM 349 N SER A 24 -1.156 3.106 -6.849 1.00 0.00 N ATOM 350 CA SER A 24 -0.226 2.976 -5.742 1.00 0.00 C ATOM 351 C SER A 24 -0.048 4.304 -5.011 1.00 0.00 C ATOM 352 O SER A 24 0.234 5.335 -5.624 1.00 0.00 O ATOM 353 CB SER A 24 1.115 2.444 -6.251 1.00 0.00 C ATOM 354 OG SER A 24 1.440 3.002 -7.514 1.00 0.00 O ATOM 0 H SER A 24 -0.763 2.862 -7.758 1.00 0.00 H new ATOM 0 HA SER A 24 -0.636 2.264 -5.025 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.900 2.681 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.072 1.358 -6.330 1.00 0.00 H new ATOM 0 HG SER A 24 1.969 3.817 -7.385 1.00 0.00 H new ATOM 360 N LEU A 25 -0.221 4.262 -3.701 1.00 0.00 N ATOM 361 CA LEU A 25 -0.117 5.446 -2.869 1.00 0.00 C ATOM 362 C LEU A 25 1.322 5.629 -2.414 1.00 0.00 C ATOM 363 O LEU A 25 1.898 4.753 -1.769 1.00 0.00 O ATOM 364 CB LEU A 25 -1.051 5.317 -1.661 1.00 0.00 C ATOM 365 CG LEU A 25 -0.926 6.414 -0.605 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.295 7.767 -1.189 1.00 0.00 C ATOM 367 CD2 LEU A 25 -1.799 6.089 0.599 1.00 0.00 C ATOM 0 H LEU A 25 -0.437 3.408 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.415 6.321 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.080 5.301 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.865 4.355 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 25 0.112 6.461 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.199 8.534 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.627 8.000 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.324 7.740 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.700 6.879 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.840 6.015 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.483 5.140 1.032 1.00 0.00 H new ATOM 379 N TYR A 26 1.905 6.759 -2.765 1.00 0.00 N ATOM 380 CA TYR A 26 3.294 7.019 -2.447 1.00 0.00 C ATOM 381 C TYR A 26 3.406 7.739 -1.112 1.00 0.00 C ATOM 382 O TYR A 26 3.310 8.966 -1.036 1.00 0.00 O ATOM 383 CB TYR A 26 3.949 7.837 -3.562 1.00 0.00 C ATOM 384 CG TYR A 26 3.759 7.226 -4.931 1.00 0.00 C ATOM 385 CD1 TYR A 26 4.500 6.122 -5.329 1.00 0.00 C ATOM 386 CD2 TYR A 26 2.832 7.749 -5.825 1.00 0.00 C ATOM 387 CE1 TYR A 26 4.324 5.555 -6.573 1.00 0.00 C ATOM 388 CE2 TYR A 26 2.651 7.188 -7.073 1.00 0.00 C ATOM 389 CZ TYR A 26 3.401 6.091 -7.443 1.00 0.00 C ATOM 390 OH TYR A 26 3.222 5.524 -8.683 1.00 0.00 O ATOM 0 H TYR A 26 1.437 7.511 -3.271 1.00 0.00 H new ATOM 0 HA TYR A 26 3.819 6.067 -2.366 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.533 8.844 -3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.015 7.932 -3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.228 5.700 -4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.244 8.608 -5.538 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.908 4.694 -6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.926 7.606 -7.756 1.00 0.00 H new ATOM 0 HH TYR A 26 2.534 6.020 -9.173 1.00 0.00 H new ATOM 400 N LEU A 27 3.579 6.964 -0.055 1.00 0.00 N ATOM 401 CA LEU A 27 3.720 7.508 1.282 1.00 0.00 C ATOM 402 C LEU A 27 5.174 7.898 1.524 1.00 0.00 C ATOM 403 O LEU A 27 5.928 7.181 2.179 1.00 0.00 O ATOM 404 CB LEU A 27 3.252 6.480 2.321 1.00 0.00 C ATOM 405 CG LEU A 27 3.265 6.946 3.778 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.208 8.012 4.019 1.00 0.00 C ATOM 407 CD2 LEU A 27 3.049 5.764 4.705 1.00 0.00 C ATOM 0 H LEU A 27 3.625 5.946 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 27 3.098 8.398 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.237 6.173 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.883 5.595 2.238 1.00 0.00 H new ATOM 0 HG LEU A 27 4.239 7.386 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.239 8.326 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.404 8.870 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.223 7.605 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.060 6.106 5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.087 5.301 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.845 5.034 4.556 1.00 0.00 H new ATOM 419 N SER A 28 5.575 9.007 0.933 1.00 0.00 N ATOM 420 CA SER A 28 6.925 9.506 1.086 1.00 0.00 C ATOM 421 C SER A 28 6.972 10.613 2.130 1.00 0.00 C ATOM 422 O SER A 28 6.086 11.471 2.176 1.00 0.00 O ATOM 423 CB SER A 28 7.452 9.995 -0.264 1.00 0.00 C ATOM 424 OG SER A 28 6.412 10.568 -1.042 1.00 0.00 O ATOM 0 H SER A 28 4.979 9.582 0.338 1.00 0.00 H new ATOM 0 HA SER A 28 7.567 8.697 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.239 10.732 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.899 9.162 -0.806 1.00 0.00 H new ATOM 0 HG SER A 28 6.775 10.874 -1.899 1.00 0.00 H new ATOM 430 N GLY A 29 7.989 10.578 2.977 1.00 0.00 N ATOM 431 CA GLY A 29 8.099 11.562 4.026 1.00 0.00 C ATOM 432 C GLY A 29 9.420 11.511 4.764 1.00 0.00 C ATOM 433 O GLY A 29 10.485 11.466 4.150 1.00 0.00 O ATOM 0 H GLY A 29 8.738 9.886 2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.970 12.556 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.288 11.414 4.739 1.00 0.00 H new ATOM 437 N LEU A 30 9.338 11.495 6.086 1.00 0.00 N ATOM 438 CA LEU A 30 10.509 11.632 6.945 1.00 0.00 C ATOM 439 C LEU A 30 11.354 10.355 6.993 1.00 0.00 C ATOM 440 O LEU A 30 11.218 9.456 6.161 1.00 0.00 O ATOM 441 CB LEU A 30 10.057 11.998 8.365 1.00 0.00 C ATOM 442 CG LEU A 30 9.184 13.251 8.475 1.00 0.00 C ATOM 443 CD1 LEU A 30 8.721 13.448 9.909 1.00 0.00 C ATOM 444 CD2 LEU A 30 9.940 14.478 7.988 1.00 0.00 C ATOM 0 H LEU A 30 8.460 11.387 6.595 1.00 0.00 H new ATOM 0 HA LEU A 30 11.133 12.420 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.506 11.155 8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.943 12.137 8.985 1.00 0.00 H new ATOM 0 HG LEU A 30 8.308 13.116 7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.101 14.343 9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.141 12.582 10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.589 13.561 10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.301 15.357 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.835 14.618 8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.226 14.339 6.945 1.00 0.00 H new ATOM 456 N PHE A 31 12.243 10.305 7.976 1.00 0.00 N ATOM 457 CA PHE A 31 13.082 9.142 8.217 1.00 0.00 C ATOM 458 C PHE A 31 13.037 8.785 9.698 1.00 0.00 C ATOM 459 O PHE A 31 12.998 9.680 10.543 1.00 0.00 O ATOM 460 CB PHE A 31 14.525 9.429 7.782 1.00 0.00 C ATOM 461 CG PHE A 31 15.488 8.318 8.095 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.501 7.159 7.337 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.381 8.432 9.150 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.380 6.135 7.626 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.264 7.411 9.444 1.00 0.00 C ATOM 466 CZ PHE A 31 17.265 6.261 8.680 1.00 0.00 C ATOM 0 H PHE A 31 12.402 11.072 8.629 1.00 0.00 H new ATOM 0 HA PHE A 31 12.709 8.301 7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.540 9.618 6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 31 14.867 10.341 8.271 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.815 7.055 6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.386 9.330 9.749 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.376 5.235 7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.952 7.512 10.270 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.956 5.462 8.905 1.00 0.00 H new ATOM 476 N ASN A 32 13.010 7.483 10.000 1.00 0.00 N ATOM 477 CA ASN A 32 13.007 6.991 11.387 1.00 0.00 C ATOM 478 C ASN A 32 11.707 7.379 12.102 1.00 0.00 C ATOM 479 O ASN A 32 11.592 7.277 13.324 1.00 0.00 O ATOM 480 CB ASN A 32 14.227 7.537 12.149 1.00 0.00 C ATOM 481 CG ASN A 32 14.440 6.878 13.502 1.00 0.00 C ATOM 482 OD1 ASN A 32 14.144 5.698 13.691 1.00 0.00 O ATOM 483 ND2 ASN A 32 14.944 7.645 14.456 1.00 0.00 N ATOM 0 H ASN A 32 12.990 6.743 9.298 1.00 0.00 H new ATOM 0 HA ASN A 32 13.068 5.903 11.365 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.120 7.395 11.540 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.106 8.611 12.292 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.100 7.263 15.389 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.176 8.618 14.258 1.00 0.00 H new ATOM 490 N GLU A 33 10.724 7.809 11.328 1.00 0.00 N ATOM 491 CA GLU A 33 9.442 8.223 11.875 1.00 0.00 C ATOM 492 C GLU A 33 8.407 7.121 11.674 1.00 0.00 C ATOM 493 O GLU A 33 8.435 6.413 10.665 1.00 0.00 O ATOM 494 CB GLU A 33 8.983 9.525 11.205 1.00 0.00 C ATOM 495 CG GLU A 33 7.652 10.056 11.718 1.00 0.00 C ATOM 496 CD GLU A 33 7.664 10.335 13.208 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.355 9.415 13.993 1.00 0.00 O ATOM 498 OE2 GLU A 33 7.974 11.475 13.604 1.00 0.00 O ATOM 0 H GLU A 33 10.790 7.881 10.313 1.00 0.00 H new ATOM 0 HA GLU A 33 9.551 8.403 12.945 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.748 10.287 11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.905 9.360 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.402 10.973 11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.868 9.333 11.495 1.00 0.00 H new ATOM 505 N ALA A 34 7.512 6.976 12.640 1.00 0.00 N ATOM 506 CA ALA A 34 6.457 5.978 12.567 1.00 0.00 C ATOM 507 C ALA A 34 5.297 6.511 11.743 1.00 0.00 C ATOM 508 O ALA A 34 4.674 7.511 12.102 1.00 0.00 O ATOM 509 CB ALA A 34 5.990 5.593 13.963 1.00 0.00 C ATOM 0 H ALA A 34 7.496 7.541 13.489 1.00 0.00 H new ATOM 0 HA ALA A 34 6.850 5.084 12.082 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.200 4.845 13.889 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.828 5.182 14.526 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.607 6.476 14.475 1.00 0.00 H new ATOM 515 N TYR A 35 5.013 5.846 10.640 1.00 0.00 N ATOM 516 CA TYR A 35 3.991 6.313 9.718 1.00 0.00 C ATOM 517 C TYR A 35 2.652 5.641 9.990 1.00 0.00 C ATOM 518 O TYR A 35 2.547 4.746 10.829 1.00 0.00 O ATOM 519 CB TYR A 35 4.419 6.047 8.270 1.00 0.00 C ATOM 520 CG TYR A 35 4.570 4.578 7.930 1.00 0.00 C ATOM 521 CD1 TYR A 35 3.485 3.837 7.479 1.00 0.00 C ATOM 522 CD2 TYR A 35 5.794 3.935 8.058 1.00 0.00 C ATOM 523 CE1 TYR A 35 3.612 2.502 7.168 1.00 0.00 C ATOM 524 CE2 TYR A 35 5.929 2.596 7.749 1.00 0.00 C ATOM 525 CZ TYR A 35 4.837 1.884 7.304 1.00 0.00 C ATOM 526 OH TYR A 35 4.969 0.550 6.999 1.00 0.00 O ATOM 0 H TYR A 35 5.474 4.981 10.359 1.00 0.00 H new ATOM 0 HA TYR A 35 3.873 7.386 9.869 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.685 6.491 7.598 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.367 6.551 8.084 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.524 4.317 7.370 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.653 4.490 8.404 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.757 1.942 6.819 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.887 2.109 7.856 1.00 0.00 H new ATOM 0 HH TYR A 35 5.896 0.271 7.148 1.00 0.00 H new ATOM 536 N ASN A 36 1.634 6.089 9.272 1.00 0.00 N ATOM 537 CA ASN A 36 0.327 5.457 9.301 1.00 0.00 C ATOM 538 C ASN A 36 -0.244 5.456 7.893 1.00 0.00 C ATOM 539 O ASN A 36 -0.105 6.439 7.165 1.00 0.00 O ATOM 540 CB ASN A 36 -0.621 6.183 10.260 1.00 0.00 C ATOM 541 CG ASN A 36 -1.954 5.466 10.407 1.00 0.00 C ATOM 542 OD1 ASN A 36 -2.040 4.247 10.259 1.00 0.00 O ATOM 543 ND2 ASN A 36 -3.000 6.217 10.714 1.00 0.00 N ATOM 0 H ASN A 36 1.691 6.899 8.655 1.00 0.00 H new ATOM 0 HA ASN A 36 0.434 4.434 9.662 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.148 6.270 11.238 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.794 7.197 9.898 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.917 5.788 10.836 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.889 7.224 10.828 1.00 0.00 H new ATOM 550 N VAL A 37 -0.866 4.359 7.506 1.00 0.00 N ATOM 551 CA VAL A 37 -1.340 4.206 6.142 1.00 0.00 C ATOM 552 C VAL A 37 -2.866 4.132 6.085 1.00 0.00 C ATOM 553 O VAL A 37 -3.496 3.419 6.870 1.00 0.00 O ATOM 554 CB VAL A 37 -0.726 2.949 5.480 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.067 1.695 6.266 1.00 0.00 C ATOM 556 CG2 VAL A 37 -1.179 2.814 4.034 1.00 0.00 C ATOM 0 H VAL A 37 -1.055 3.562 8.114 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.019 5.088 5.588 1.00 0.00 H new ATOM 0 HB VAL A 37 0.357 3.070 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.623 0.828 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.674 1.782 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.150 1.574 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.732 1.922 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.265 2.730 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.865 3.693 3.471 1.00 0.00 H new ATOM 566 N PRO A 38 -3.483 4.909 5.182 1.00 0.00 N ATOM 567 CA PRO A 38 -4.912 4.803 4.898 1.00 0.00 C ATOM 568 C PRO A 38 -5.230 3.492 4.189 1.00 0.00 C ATOM 569 O PRO A 38 -4.520 3.090 3.265 1.00 0.00 O ATOM 570 CB PRO A 38 -5.200 5.994 3.971 1.00 0.00 C ATOM 571 CG PRO A 38 -3.995 6.871 4.061 1.00 0.00 C ATOM 572 CD PRO A 38 -2.845 5.964 4.381 1.00 0.00 C ATOM 0 HA PRO A 38 -5.516 4.816 5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.368 5.662 2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.098 6.527 4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.826 7.399 3.122 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.121 7.629 4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.381 5.564 3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.064 6.481 4.939 1.00 0.00 H new ATOM 580 N MET A 39 -6.291 2.830 4.619 1.00 0.00 N ATOM 581 CA MET A 39 -6.641 1.528 4.073 1.00 0.00 C ATOM 582 C MET A 39 -7.480 1.673 2.814 1.00 0.00 C ATOM 583 O MET A 39 -7.266 0.952 1.844 1.00 0.00 O ATOM 584 CB MET A 39 -7.392 0.692 5.109 1.00 0.00 C ATOM 585 CG MET A 39 -6.532 0.265 6.285 1.00 0.00 C ATOM 586 SD MET A 39 -7.438 -0.745 7.473 1.00 0.00 S ATOM 587 CE MET A 39 -6.141 -1.115 8.652 1.00 0.00 C ATOM 0 H MET A 39 -6.924 3.171 5.343 1.00 0.00 H new ATOM 0 HA MET A 39 -5.714 1.016 3.813 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.241 1.266 5.480 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.796 -0.196 4.623 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.672 -0.295 5.918 1.00 0.00 H new ATOM 0 HG3 MET A 39 -6.144 1.151 6.788 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.543 -1.736 9.453 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.334 -1.649 8.150 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.755 -0.186 9.072 1.00 0.00 H new ATOM 597 N LYS A 40 -8.422 2.617 2.847 1.00 0.00 N ATOM 598 CA LYS A 40 -9.340 2.868 1.732 1.00 0.00 C ATOM 599 C LYS A 40 -10.257 1.674 1.476 1.00 0.00 C ATOM 600 O LYS A 40 -9.808 0.541 1.318 1.00 0.00 O ATOM 601 CB LYS A 40 -8.586 3.210 0.441 1.00 0.00 C ATOM 602 CG LYS A 40 -7.755 4.478 0.518 1.00 0.00 C ATOM 603 CD LYS A 40 -7.236 4.865 -0.855 1.00 0.00 C ATOM 604 CE LYS A 40 -6.364 6.108 -0.800 1.00 0.00 C ATOM 605 NZ LYS A 40 -5.973 6.565 -2.159 1.00 0.00 N ATOM 0 H LYS A 40 -8.571 3.230 3.648 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.947 3.725 2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.932 2.376 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.307 3.311 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.358 5.289 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.918 4.329 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.663 4.037 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.077 5.041 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.901 6.907 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.469 5.899 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.379 7.415 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.439 5.812 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.827 6.788 -2.709 1.00 0.00 H new ATOM 619 N LYS A 41 -11.549 1.932 1.421 1.00 0.00 N ATOM 620 CA LYS A 41 -12.499 0.881 1.115 1.00 0.00 C ATOM 621 C LYS A 41 -13.224 1.196 -0.181 1.00 0.00 C ATOM 622 O LYS A 41 -13.996 2.154 -0.261 1.00 0.00 O ATOM 623 CB LYS A 41 -13.504 0.690 2.246 1.00 0.00 C ATOM 624 CG LYS A 41 -14.290 -0.604 2.122 1.00 0.00 C ATOM 625 CD LYS A 41 -15.311 -0.747 3.230 1.00 0.00 C ATOM 626 CE LYS A 41 -15.843 -2.167 3.313 1.00 0.00 C ATOM 627 NZ LYS A 41 -16.749 -2.340 4.475 1.00 0.00 N ATOM 0 H LYS A 41 -11.962 2.851 1.582 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.944 -0.050 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.977 0.700 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.197 1.531 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.795 -0.632 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.604 -1.451 2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.858 -0.470 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.137 -0.057 3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.377 -2.411 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.010 -2.865 3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.095 -3.320 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.232 -2.130 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.556 -1.691 4.385 1.00 0.00 H new ATOM 641 N ILE A 42 -12.960 0.388 -1.193 1.00 0.00 N ATOM 642 CA ILE A 42 -13.555 0.578 -2.503 1.00 0.00 C ATOM 643 C ILE A 42 -14.891 -0.170 -2.571 1.00 0.00 C ATOM 644 O ILE A 42 -15.187 -0.985 -1.693 1.00 0.00 O ATOM 645 CB ILE A 42 -12.593 0.090 -3.615 1.00 0.00 C ATOM 646 CG1 ILE A 42 -11.152 0.480 -3.268 1.00 0.00 C ATOM 647 CG2 ILE A 42 -12.976 0.685 -4.966 1.00 0.00 C ATOM 648 CD1 ILE A 42 -10.127 0.009 -4.277 1.00 0.00 C ATOM 0 H ILE A 42 -12.331 -0.413 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.736 1.641 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.670 -0.995 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.091 1.565 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.900 0.068 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.286 0.327 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -13.991 0.381 -5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.926 1.772 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.133 0.324 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.158 -1.078 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -10.351 0.441 -5.252 1.00 0.00 H new ATOM 660 N LYS A 43 -15.686 0.125 -3.600 1.00 0.00 N ATOM 661 CA LYS A 43 -17.040 -0.419 -3.749 1.00 0.00 C ATOM 662 C LYS A 43 -17.094 -1.939 -3.576 1.00 0.00 C ATOM 663 O LYS A 43 -16.734 -2.687 -4.487 1.00 0.00 O ATOM 664 CB LYS A 43 -17.597 -0.072 -5.132 1.00 0.00 C ATOM 665 CG LYS A 43 -17.604 1.413 -5.465 1.00 0.00 C ATOM 666 CD LYS A 43 -18.166 1.645 -6.860 1.00 0.00 C ATOM 667 CE LYS A 43 -18.152 3.112 -7.255 1.00 0.00 C ATOM 668 NZ LYS A 43 -16.773 3.658 -7.350 1.00 0.00 N ATOM 0 H LYS A 43 -15.410 0.750 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.640 0.034 -2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.010 -0.596 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.617 -0.450 -5.202 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.202 1.953 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.591 1.810 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -17.585 1.072 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.188 1.270 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.655 3.232 -8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.719 3.688 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.803 4.603 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.360 3.726 -6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.190 3.027 -7.936 1.00 0.00 H new ATOM 682 N GLY A 44 -17.543 -2.386 -2.406 1.00 0.00 N ATOM 683 CA GLY A 44 -17.797 -3.799 -2.195 1.00 0.00 C ATOM 684 C GLY A 44 -16.537 -4.640 -2.180 1.00 0.00 C ATOM 685 O GLY A 44 -16.524 -5.761 -2.696 1.00 0.00 O ATOM 0 H GLY A 44 -17.736 -1.792 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.323 -3.929 -1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.459 -4.163 -2.981 1.00 0.00 H new ATOM 689 N TYR A 45 -15.476 -4.107 -1.593 1.00 0.00 N ATOM 690 CA TYR A 45 -14.231 -4.848 -1.469 1.00 0.00 C ATOM 691 C TYR A 45 -13.948 -5.206 -0.017 1.00 0.00 C ATOM 692 O TYR A 45 -14.189 -4.414 0.895 1.00 0.00 O ATOM 693 CB TYR A 45 -13.061 -4.060 -2.062 1.00 0.00 C ATOM 694 CG TYR A 45 -13.035 -4.067 -3.574 1.00 0.00 C ATOM 695 CD1 TYR A 45 -12.475 -5.130 -4.270 1.00 0.00 C ATOM 696 CD2 TYR A 45 -13.573 -3.020 -4.304 1.00 0.00 C ATOM 697 CE1 TYR A 45 -12.451 -5.144 -5.652 1.00 0.00 C ATOM 698 CE2 TYR A 45 -13.555 -3.027 -5.684 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.992 -4.090 -6.354 1.00 0.00 C ATOM 700 OH TYR A 45 -12.978 -4.102 -7.731 1.00 0.00 O ATOM 0 H TYR A 45 -15.452 -3.168 -1.197 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.342 -5.774 -2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.113 -3.029 -1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.126 -4.477 -1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.051 -5.959 -3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.015 -2.183 -3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.010 -5.977 -6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.981 -2.202 -6.236 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.400 -3.285 -8.070 1.00 0.00 H new ATOM 710 N THR A 46 -13.460 -6.418 0.178 1.00 0.00 N ATOM 711 CA THR A 46 -13.087 -6.915 1.490 1.00 0.00 C ATOM 712 C THR A 46 -11.573 -7.098 1.558 1.00 0.00 C ATOM 713 O THR A 46 -10.944 -7.452 0.557 1.00 0.00 O ATOM 714 CB THR A 46 -13.785 -8.264 1.771 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.200 -8.103 1.641 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.463 -8.790 3.162 1.00 0.00 C ATOM 0 H THR A 46 -13.310 -7.090 -0.575 1.00 0.00 H new ATOM 0 HA THR A 46 -13.401 -6.192 2.243 1.00 0.00 H new ATOM 0 HB THR A 46 -13.416 -8.989 1.045 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.625 -8.984 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.974 -9.740 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.387 -8.937 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.797 -8.071 3.909 1.00 0.00 H new ATOM 724 N LEU A 47 -10.987 -6.841 2.720 1.00 0.00 N ATOM 725 CA LEU A 47 -9.553 -7.011 2.889 1.00 0.00 C ATOM 726 C LEU A 47 -9.213 -8.486 3.023 1.00 0.00 C ATOM 727 O LEU A 47 -9.622 -9.145 3.979 1.00 0.00 O ATOM 728 CB LEU A 47 -9.047 -6.250 4.115 1.00 0.00 C ATOM 729 CG LEU A 47 -7.538 -6.355 4.361 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.764 -5.804 3.178 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.145 -5.621 5.631 1.00 0.00 C ATOM 0 H LEU A 47 -11.479 -6.517 3.552 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.060 -6.605 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.310 -5.198 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.571 -6.620 4.996 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.289 -7.409 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.695 -5.888 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.016 -6.372 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.025 -4.756 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.070 -5.710 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.413 -4.568 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.670 -6.057 6.481 1.00 0.00 H new ATOM 743 N LEU A 48 -8.474 -9.000 2.055 1.00 0.00 N ATOM 744 CA LEU A 48 -8.036 -10.381 2.094 1.00 0.00 C ATOM 745 C LEU A 48 -6.863 -10.514 3.052 1.00 0.00 C ATOM 746 O LEU A 48 -6.846 -11.397 3.911 1.00 0.00 O ATOM 747 CB LEU A 48 -7.638 -10.854 0.693 1.00 0.00 C ATOM 748 CG LEU A 48 -7.147 -12.303 0.605 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.240 -13.270 1.033 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.684 -12.616 -0.808 1.00 0.00 C ATOM 0 H LEU A 48 -8.166 -8.480 1.233 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.856 -11.007 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.496 -10.738 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.853 -10.198 0.316 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.303 -12.422 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.869 -14.293 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.530 -13.059 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.106 -13.152 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.338 -13.648 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.513 -12.478 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.868 -11.946 -1.080 1.00 0.00 H new ATOM 762 N LYS A 49 -5.908 -9.599 2.916 1.00 0.00 N ATOM 763 CA LYS A 49 -4.697 -9.609 3.728 1.00 0.00 C ATOM 764 C LYS A 49 -3.754 -8.493 3.297 1.00 0.00 C ATOM 765 O LYS A 49 -3.536 -8.279 2.108 1.00 0.00 O ATOM 766 CB LYS A 49 -3.968 -10.959 3.607 1.00 0.00 C ATOM 767 CG LYS A 49 -2.635 -11.009 4.341 1.00 0.00 C ATOM 768 CD LYS A 49 -1.986 -12.380 4.235 1.00 0.00 C ATOM 769 CE LYS A 49 -0.611 -12.393 4.884 1.00 0.00 C ATOM 770 NZ LYS A 49 -0.043 -13.764 4.960 1.00 0.00 N ATOM 0 H LYS A 49 -5.952 -8.834 2.243 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.993 -9.453 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.615 -11.746 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.799 -11.176 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.964 -10.256 3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.788 -10.759 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.623 -13.124 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.898 -12.663 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.064 -11.752 4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.680 -11.973 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.894 -13.727 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.673 -14.370 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.048 -14.156 4.001 1.00 0.00 H new ATOM 784 N TYR A 50 -3.221 -7.767 4.263 1.00 0.00 N ATOM 785 CA TYR A 50 -2.116 -6.864 4.000 1.00 0.00 C ATOM 786 C TYR A 50 -0.817 -7.626 4.235 1.00 0.00 C ATOM 787 O TYR A 50 -0.431 -7.886 5.373 1.00 0.00 O ATOM 788 CB TYR A 50 -2.204 -5.589 4.862 1.00 0.00 C ATOM 789 CG TYR A 50 -2.385 -5.828 6.350 1.00 0.00 C ATOM 790 CD1 TYR A 50 -3.612 -6.225 6.866 1.00 0.00 C ATOM 791 CD2 TYR A 50 -1.331 -5.648 7.237 1.00 0.00 C ATOM 792 CE1 TYR A 50 -3.784 -6.438 8.219 1.00 0.00 C ATOM 793 CE2 TYR A 50 -1.493 -5.858 8.592 1.00 0.00 C ATOM 794 CZ TYR A 50 -2.724 -6.255 9.079 1.00 0.00 C ATOM 795 OH TYR A 50 -2.897 -6.476 10.428 1.00 0.00 O ATOM 0 H TYR A 50 -3.534 -7.785 5.234 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.155 -6.523 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.296 -5.004 4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.036 -4.984 4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.447 -6.370 6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.368 -5.338 6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.746 -6.747 8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.663 -5.713 9.267 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.055 -6.304 10.898 1.00 0.00 H new ATOM 805 N ASP A 51 -0.183 -8.030 3.143 1.00 0.00 N ATOM 806 CA ASP A 51 0.962 -8.938 3.201 1.00 0.00 C ATOM 807 C ASP A 51 2.127 -8.320 3.965 1.00 0.00 C ATOM 808 O ASP A 51 2.723 -8.962 4.833 1.00 0.00 O ATOM 809 CB ASP A 51 1.383 -9.329 1.785 1.00 0.00 C ATOM 810 CG ASP A 51 2.591 -10.239 1.756 1.00 0.00 C ATOM 811 OD1 ASP A 51 2.550 -11.305 2.397 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.574 -9.906 1.063 1.00 0.00 O ATOM 0 H ASP A 51 -0.442 -7.743 2.199 1.00 0.00 H new ATOM 0 HA ASP A 51 0.663 -9.835 3.743 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.549 -9.825 1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.602 -8.426 1.215 1.00 0.00 H new ATOM 817 N SER A 52 2.443 -7.078 3.653 1.00 0.00 N ATOM 818 CA SER A 52 3.444 -6.347 4.409 1.00 0.00 C ATOM 819 C SER A 52 2.770 -5.594 5.551 1.00 0.00 C ATOM 820 O SER A 52 1.730 -4.959 5.353 1.00 0.00 O ATOM 821 CB SER A 52 4.197 -5.379 3.494 1.00 0.00 C ATOM 822 OG SER A 52 4.799 -6.072 2.413 1.00 0.00 O ATOM 0 H SER A 52 2.024 -6.555 2.884 1.00 0.00 H new ATOM 0 HA SER A 52 4.165 -7.050 4.826 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.510 -4.625 3.111 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.962 -4.852 4.065 1.00 0.00 H new ATOM 0 HG SER A 52 4.112 -6.318 1.759 1.00 0.00 H new ATOM 828 N GLU A 53 3.346 -5.684 6.747 1.00 0.00 N ATOM 829 CA GLU A 53 2.779 -5.025 7.916 1.00 0.00 C ATOM 830 C GLU A 53 2.748 -3.517 7.728 1.00 0.00 C ATOM 831 O GLU A 53 3.677 -2.927 7.180 1.00 0.00 O ATOM 832 CB GLU A 53 3.568 -5.368 9.176 1.00 0.00 C ATOM 833 CG GLU A 53 3.465 -6.824 9.583 1.00 0.00 C ATOM 834 CD GLU A 53 4.266 -7.125 10.829 1.00 0.00 C ATOM 835 OE1 GLU A 53 3.731 -6.948 11.943 1.00 0.00 O ATOM 836 OE2 GLU A 53 5.437 -7.532 10.701 1.00 0.00 O ATOM 0 H GLU A 53 4.203 -6.206 6.930 1.00 0.00 H new ATOM 0 HA GLU A 53 1.758 -5.388 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.617 -5.118 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.213 -4.745 9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.419 -7.079 9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.816 -7.454 8.766 1.00 0.00 H new ATOM 843 N ILE A 54 1.675 -2.905 8.202 1.00 0.00 N ATOM 844 CA ILE A 54 1.486 -1.470 8.067 1.00 0.00 C ATOM 845 C ILE A 54 2.055 -0.731 9.273 1.00 0.00 C ATOM 846 O ILE A 54 1.877 0.477 9.418 1.00 0.00 O ATOM 847 CB ILE A 54 -0.009 -1.124 7.911 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.795 -1.547 9.158 1.00 0.00 C ATOM 849 CG2 ILE A 54 -0.576 -1.800 6.668 1.00 0.00 C ATOM 850 CD1 ILE A 54 -2.255 -1.151 9.117 1.00 0.00 C ATOM 0 H ILE A 54 0.916 -3.384 8.687 1.00 0.00 H new ATOM 0 HA ILE A 54 2.019 -1.152 7.171 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.106 -0.044 7.798 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.724 -2.629 9.273 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.331 -1.102 10.038 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.632 -1.549 6.567 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.035 -1.454 5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.467 -2.881 6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.748 -1.483 10.031 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.336 -0.067 9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.735 -1.618 8.257 1.00 0.00 H new ATOM 862 N LEU A 55 2.736 -1.469 10.136 1.00 0.00 N ATOM 863 CA LEU A 55 3.314 -0.898 11.341 1.00 0.00 C ATOM 864 C LEU A 55 4.835 -0.917 11.260 1.00 0.00 C ATOM 865 O LEU A 55 5.457 -1.981 11.343 1.00 0.00 O ATOM 866 CB LEU A 55 2.844 -1.670 12.576 1.00 0.00 C ATOM 867 CG LEU A 55 1.329 -1.685 12.797 1.00 0.00 C ATOM 868 CD1 LEU A 55 0.978 -2.529 14.013 1.00 0.00 C ATOM 869 CD2 LEU A 55 0.799 -0.267 12.964 1.00 0.00 C ATOM 0 H LEU A 55 2.902 -2.469 10.023 1.00 0.00 H new ATOM 0 HA LEU A 55 2.980 0.136 11.427 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.194 -2.699 12.496 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.319 -1.239 13.457 1.00 0.00 H new ATOM 0 HG LEU A 55 0.858 -2.128 11.920 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.103 -2.529 14.156 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.324 -3.551 13.859 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.461 -2.112 14.897 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.279 -0.298 13.120 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.277 0.201 13.825 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.020 0.312 12.067 1.00 0.00 H new ATOM 881 N GLY A 56 5.423 0.255 11.084 1.00 0.00 N ATOM 882 CA GLY A 56 6.863 0.364 11.003 1.00 0.00 C ATOM 883 C GLY A 56 7.314 1.806 10.926 1.00 0.00 C ATOM 884 O GLY A 56 6.511 2.726 11.107 1.00 0.00 O ATOM 0 H GLY A 56 4.923 1.140 10.995 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.313 -0.112 11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.220 -0.176 10.126 1.00 0.00 H new ATOM 888 N VAL A 57 8.593 2.007 10.655 1.00 0.00 N ATOM 889 CA VAL A 57 9.149 3.345 10.542 1.00 0.00 C ATOM 890 C VAL A 57 9.754 3.560 9.160 1.00 0.00 C ATOM 891 O VAL A 57 10.119 2.599 8.480 1.00 0.00 O ATOM 892 CB VAL A 57 10.227 3.618 11.616 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.619 3.584 13.010 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.370 2.616 11.508 1.00 0.00 C ATOM 0 H VAL A 57 9.268 1.257 10.509 1.00 0.00 H new ATOM 0 HA VAL A 57 8.326 4.042 10.697 1.00 0.00 H new ATOM 0 HB VAL A 57 10.631 4.615 11.440 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.395 3.779 13.750 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.844 4.347 13.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.182 2.602 13.192 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.115 2.830 12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.984 1.607 11.649 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.830 2.694 10.523 1.00 0.00 H new ATOM 904 N PHE A 58 9.842 4.819 8.749 1.00 0.00 N ATOM 905 CA PHE A 58 10.437 5.171 7.464 1.00 0.00 C ATOM 906 C PHE A 58 11.894 4.729 7.388 1.00 0.00 C ATOM 907 O PHE A 58 12.758 5.280 8.075 1.00 0.00 O ATOM 908 CB PHE A 58 10.355 6.678 7.219 1.00 0.00 C ATOM 909 CG PHE A 58 8.992 7.171 6.825 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.541 7.021 5.523 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.168 7.793 7.748 1.00 0.00 C ATOM 912 CE1 PHE A 58 7.297 7.484 5.148 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.921 8.257 7.380 1.00 0.00 C ATOM 914 CZ PHE A 58 6.483 8.100 6.078 1.00 0.00 C ATOM 0 H PHE A 58 9.508 5.617 9.289 1.00 0.00 H new ATOM 0 HA PHE A 58 9.869 4.649 6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.668 7.198 8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.065 6.945 6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.172 6.535 4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.505 7.916 8.767 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.960 7.365 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.288 8.742 8.108 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.506 8.458 5.789 1.00 0.00 H new ATOM 924 N THR A 59 12.150 3.733 6.555 1.00 0.00 N ATOM 925 CA THR A 59 13.500 3.247 6.318 1.00 0.00 C ATOM 926 C THR A 59 13.988 3.763 4.963 1.00 0.00 C ATOM 927 O THR A 59 13.173 4.147 4.121 1.00 0.00 O ATOM 928 CB THR A 59 13.528 1.703 6.333 1.00 0.00 C ATOM 929 OG1 THR A 59 12.754 1.214 7.439 1.00 0.00 O ATOM 930 CG2 THR A 59 14.948 1.173 6.446 1.00 0.00 C ATOM 0 H THR A 59 11.431 3.240 6.026 1.00 0.00 H new ATOM 0 HA THR A 59 14.156 3.611 7.109 1.00 0.00 H new ATOM 0 HB THR A 59 13.103 1.353 5.392 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.773 0.234 7.444 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.930 0.083 6.454 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.535 1.520 5.596 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.399 1.535 7.370 1.00 0.00 H new ATOM 938 N GLU A 60 15.305 3.784 4.754 1.00 0.00 N ATOM 939 CA GLU A 60 15.873 4.273 3.499 1.00 0.00 C ATOM 940 C GLU A 60 15.389 3.423 2.335 1.00 0.00 C ATOM 941 O GLU A 60 15.104 3.934 1.250 1.00 0.00 O ATOM 942 CB GLU A 60 17.408 4.254 3.518 1.00 0.00 C ATOM 943 CG GLU A 60 18.035 4.691 4.830 1.00 0.00 C ATOM 944 CD GLU A 60 18.206 3.537 5.790 1.00 0.00 C ATOM 945 OE1 GLU A 60 17.263 3.248 6.548 1.00 0.00 O ATOM 946 OE2 GLU A 60 19.281 2.898 5.770 1.00 0.00 O ATOM 0 H GLU A 60 15.996 3.469 5.435 1.00 0.00 H new ATOM 0 HA GLU A 60 15.540 5.304 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.748 3.244 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.775 4.903 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.006 5.146 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.412 5.457 5.292 1.00 0.00 H new ATOM 953 N SER A 61 15.299 2.125 2.577 1.00 0.00 N ATOM 954 CA SER A 61 14.866 1.176 1.566 1.00 0.00 C ATOM 955 C SER A 61 13.417 1.443 1.162 1.00 0.00 C ATOM 956 O SER A 61 12.558 1.651 2.020 1.00 0.00 O ATOM 957 CB SER A 61 15.009 -0.242 2.119 1.00 0.00 C ATOM 958 OG SER A 61 16.240 -0.386 2.815 1.00 0.00 O ATOM 0 H SER A 61 15.523 1.701 3.477 1.00 0.00 H new ATOM 0 HA SER A 61 15.489 1.287 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.178 -0.462 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.960 -0.963 1.303 1.00 0.00 H new ATOM 0 HG SER A 61 16.314 -1.299 3.164 1.00 0.00 H new ATOM 964 N PRO A 62 13.134 1.477 -0.151 1.00 0.00 N ATOM 965 CA PRO A 62 11.773 1.652 -0.658 1.00 0.00 C ATOM 966 C PRO A 62 10.862 0.520 -0.202 1.00 0.00 C ATOM 967 O PRO A 62 11.057 -0.641 -0.568 1.00 0.00 O ATOM 968 CB PRO A 62 11.938 1.628 -2.182 1.00 0.00 C ATOM 969 CG PRO A 62 13.377 1.924 -2.419 1.00 0.00 C ATOM 970 CD PRO A 62 14.113 1.355 -1.240 1.00 0.00 C ATOM 0 HA PRO A 62 11.313 2.571 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.662 0.657 -2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.299 2.370 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.721 1.472 -3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.546 2.997 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.404 0.318 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.026 1.911 -1.027 1.00 0.00 H new ATOM 978 N GLN A 63 9.883 0.858 0.613 1.00 0.00 N ATOM 979 CA GLN A 63 8.984 -0.136 1.168 1.00 0.00 C ATOM 980 C GLN A 63 7.712 -0.218 0.344 1.00 0.00 C ATOM 981 O GLN A 63 7.292 0.766 -0.259 1.00 0.00 O ATOM 982 CB GLN A 63 8.664 0.198 2.625 1.00 0.00 C ATOM 983 CG GLN A 63 9.895 0.202 3.517 1.00 0.00 C ATOM 984 CD GLN A 63 9.591 0.592 4.948 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.677 1.368 5.217 1.00 0.00 O ATOM 986 NE2 GLN A 63 10.365 0.056 5.876 1.00 0.00 N ATOM 0 H GLN A 63 9.689 1.815 0.907 1.00 0.00 H new ATOM 0 HA GLN A 63 9.474 -1.109 1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.185 1.176 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.946 -0.527 3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.348 -0.789 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.631 0.893 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.113 -0.584 5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.214 0.282 6.859 1.00 0.00 H new ATOM 995 N THR A 64 7.120 -1.397 0.307 1.00 0.00 N ATOM 996 CA THR A 64 5.896 -1.618 -0.436 1.00 0.00 C ATOM 997 C THR A 64 4.859 -2.301 0.444 1.00 0.00 C ATOM 998 O THR A 64 5.006 -3.471 0.793 1.00 0.00 O ATOM 999 CB THR A 64 6.150 -2.487 -1.686 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.084 -1.837 -2.560 1.00 0.00 O ATOM 1001 CG2 THR A 64 4.854 -2.758 -2.438 1.00 0.00 C ATOM 0 H THR A 64 7.473 -2.224 0.789 1.00 0.00 H new ATOM 0 HA THR A 64 5.524 -0.644 -0.755 1.00 0.00 H new ATOM 0 HB THR A 64 6.564 -3.439 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.239 -2.398 -3.349 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.063 -3.372 -3.314 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.157 -3.283 -1.785 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.413 -1.813 -2.755 1.00 0.00 H new ATOM 1009 N ILE A 65 3.825 -1.568 0.821 1.00 0.00 N ATOM 1010 CA ILE A 65 2.738 -2.149 1.584 1.00 0.00 C ATOM 1011 C ILE A 65 1.687 -2.684 0.631 1.00 0.00 C ATOM 1012 O ILE A 65 0.837 -1.940 0.137 1.00 0.00 O ATOM 1013 CB ILE A 65 2.089 -1.145 2.561 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.154 -0.495 3.448 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.046 -1.851 3.423 1.00 0.00 C ATOM 1016 CD1 ILE A 65 2.598 0.554 4.389 1.00 0.00 C ATOM 0 H ILE A 65 3.717 -0.576 0.612 1.00 0.00 H new ATOM 0 HA ILE A 65 3.158 -2.955 2.186 1.00 0.00 H new ATOM 0 HB ILE A 65 1.598 -0.364 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.651 -1.269 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.914 -0.037 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.595 -1.134 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.273 -2.277 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.524 -2.647 3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.408 0.972 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.126 1.348 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.859 0.097 5.048 1.00 0.00 H new ATOM 1028 N ASN A 66 1.786 -3.963 0.330 1.00 0.00 N ATOM 1029 CA ASN A 66 0.863 -4.609 -0.581 1.00 0.00 C ATOM 1030 C ASN A 66 -0.398 -5.058 0.154 1.00 0.00 C ATOM 1031 O ASN A 66 -0.442 -6.121 0.776 1.00 0.00 O ATOM 1032 CB ASN A 66 1.545 -5.779 -1.314 1.00 0.00 C ATOM 1033 CG ASN A 66 2.241 -6.769 -0.388 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.661 -6.426 0.719 1.00 0.00 O ATOM 1035 ND2 ASN A 66 2.393 -8.002 -0.845 1.00 0.00 N ATOM 0 H ASN A 66 2.504 -4.581 0.708 1.00 0.00 H new ATOM 0 HA ASN A 66 0.560 -3.884 -1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.797 -6.311 -1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.276 -5.378 -2.016 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.870 -8.702 -0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.033 -8.253 -1.766 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.409 -4.208 0.101 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.685 -4.478 0.736 1.00 0.00 C ATOM 1044 C ILE A 67 -3.619 -5.137 -0.271 1.00 0.00 C ATOM 1045 O ILE A 67 -3.974 -4.533 -1.279 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.326 -3.177 1.265 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.359 -2.447 2.201 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.634 -3.477 1.979 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.891 -1.128 2.720 1.00 0.00 C ATOM 0 H ILE A 67 -1.367 -3.312 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.519 -5.145 1.582 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.540 -2.529 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.129 -3.094 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.422 -2.268 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.070 -2.548 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.326 -3.955 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.445 -4.144 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.151 -0.670 3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.094 -0.462 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.812 -1.301 3.277 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.006 -6.375 -0.005 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.764 -7.153 -0.974 1.00 0.00 C ATOM 1063 C ILE A 68 -6.257 -7.131 -0.662 1.00 0.00 C ATOM 1064 O ILE A 68 -6.685 -7.539 0.421 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.272 -8.616 -1.022 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.779 -8.655 -1.367 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.077 -9.421 -2.033 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.185 -10.047 -1.359 1.00 0.00 C ATOM 0 H ILE A 68 -3.809 -6.861 0.870 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.602 -6.691 -1.948 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.417 -9.066 -0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.632 -8.213 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.235 -8.034 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.714 -10.449 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.130 -9.412 -1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.964 -8.979 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.126 -9.992 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.299 -10.485 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.702 -10.667 -2.091 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.040 -6.650 -1.616 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.488 -6.639 -1.490 1.00 0.00 C ATOM 1082 C TYR A 69 -9.117 -7.609 -2.482 1.00 0.00 C ATOM 1083 O TYR A 69 -8.483 -8.016 -3.454 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.051 -5.235 -1.729 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.777 -4.259 -0.608 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.554 -4.266 0.541 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -7.752 -3.328 -0.702 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -9.318 -3.374 1.568 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -7.508 -2.433 0.321 1.00 0.00 C ATOM 1090 CZ TYR A 69 -8.295 -2.461 1.454 1.00 0.00 C ATOM 1091 OH TYR A 69 -8.056 -1.574 2.476 1.00 0.00 O ATOM 0 H TYR A 69 -6.693 -6.260 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.733 -6.949 -0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.629 -4.839 -2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.128 -5.308 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.358 -4.982 0.634 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.136 -3.303 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.933 -3.393 2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.706 -1.715 0.235 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.744 -0.723 2.104 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.355 -7.984 -2.215 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.122 -8.812 -3.129 1.00 0.00 C ATOM 1103 C GLN A 70 -12.592 -8.433 -3.039 1.00 0.00 C ATOM 1104 O GLN A 70 -13.017 -7.837 -2.050 1.00 0.00 O ATOM 1105 CB GLN A 70 -10.928 -10.299 -2.813 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.390 -10.707 -1.423 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.142 -12.174 -1.142 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -10.192 -12.764 -1.655 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -11.997 -12.775 -0.333 1.00 0.00 N ATOM 0 H GLN A 70 -10.855 -7.725 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.768 -8.641 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.470 -10.889 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.872 -10.547 -2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.870 -10.104 -0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.454 -10.494 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.772 -12.249 0.072 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.882 -13.764 -0.113 1.00 0.00 H new ATOM 1118 N LYS A 71 -13.361 -8.758 -4.065 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.777 -8.420 -4.078 1.00 0.00 C ATOM 1120 C LYS A 71 -15.557 -9.315 -3.127 1.00 0.00 C ATOM 1121 O LYS A 71 -15.181 -10.459 -2.887 1.00 0.00 O ATOM 1122 CB LYS A 71 -15.349 -8.526 -5.493 1.00 0.00 C ATOM 1123 CG LYS A 71 -14.915 -7.392 -6.406 1.00 0.00 C ATOM 1124 CD LYS A 71 -15.537 -7.513 -7.788 1.00 0.00 C ATOM 1125 CE LYS A 71 -15.288 -6.264 -8.622 1.00 0.00 C ATOM 1126 NZ LYS A 71 -15.912 -5.059 -8.012 1.00 0.00 N ATOM 0 H LYS A 71 -13.033 -9.252 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.877 -7.388 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.039 -9.475 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -16.437 -8.541 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.199 -6.438 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.829 -7.392 -6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.123 -8.382 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.610 -7.680 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.215 -6.104 -8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.687 -6.411 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.430 -4.529 -8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.571 -5.351 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.171 -4.453 -7.605 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.645 -8.780 -2.584 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.484 -9.531 -1.651 1.00 0.00 C ATOM 1142 C LYS A 72 -18.389 -10.515 -2.393 1.00 0.00 C ATOM 1143 O LYS A 72 -19.254 -11.155 -1.793 1.00 0.00 O ATOM 1144 CB LYS A 72 -18.346 -8.584 -0.811 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.565 -7.451 -0.168 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.365 -6.719 0.907 1.00 0.00 C ATOM 1147 CE LYS A 72 -19.621 -6.038 0.366 1.00 0.00 C ATOM 1148 NZ LYS A 72 -20.748 -6.990 0.174 1.00 0.00 N ATOM 0 H LYS A 72 -16.968 -7.831 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.819 -10.090 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -19.127 -8.161 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -18.844 -9.158 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.651 -7.850 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.264 -6.740 -0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.651 -7.428 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.728 -5.970 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.928 -5.250 1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.389 -5.558 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -20.943 -7.097 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.494 -7.914 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -21.596 -6.625 0.652 1.00 0.00 H new ATOM 1162 N ALA A 73 -18.185 -10.625 -3.696 1.00 0.00 N ATOM 1163 CA ALA A 73 -18.975 -11.517 -4.526 1.00 0.00 C ATOM 1164 C ALA A 73 -18.120 -12.084 -5.650 1.00 0.00 C ATOM 1165 O ALA A 73 -17.319 -11.362 -6.247 1.00 0.00 O ATOM 1166 CB ALA A 73 -20.184 -10.785 -5.095 1.00 0.00 C ATOM 0 H ALA A 73 -17.472 -10.102 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 73 -19.332 -12.342 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -20.765 -11.468 -5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -20.805 -10.419 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -19.848 -9.943 -5.700 1.00 0.00 H new ATOM 1172 N PRO A 74 -18.270 -13.387 -5.949 1.00 0.00 N ATOM 1173 CA PRO A 74 -17.520 -14.053 -7.022 1.00 0.00 C ATOM 1174 C PRO A 74 -17.932 -13.563 -8.407 1.00 0.00 C ATOM 1175 O PRO A 74 -17.303 -13.898 -9.412 1.00 0.00 O ATOM 1176 CB PRO A 74 -17.876 -15.539 -6.856 1.00 0.00 C ATOM 1177 CG PRO A 74 -18.505 -15.648 -5.507 1.00 0.00 C ATOM 1178 CD PRO A 74 -19.161 -14.323 -5.252 1.00 0.00 C ATOM 0 HA PRO A 74 -16.452 -13.850 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -18.562 -15.868 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -16.987 -16.166 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.235 -16.457 -5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.758 -15.868 -4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.175 -14.289 -5.649 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -19.228 -14.102 -4.187 1.00 0.00 H new ATOM 1186 N GLU A 75 -19.002 -12.779 -8.455 1.00 0.00 N ATOM 1187 CA GLU A 75 -19.456 -12.195 -9.703 1.00 0.00 C ATOM 1188 C GLU A 75 -18.579 -11.001 -10.051 1.00 0.00 C ATOM 1189 O GLU A 75 -18.739 -9.910 -9.498 1.00 0.00 O ATOM 1190 CB GLU A 75 -20.922 -11.771 -9.602 1.00 0.00 C ATOM 1191 CG GLU A 75 -21.511 -11.323 -10.928 1.00 0.00 C ATOM 1192 CD GLU A 75 -22.962 -10.912 -10.811 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -23.822 -11.798 -10.647 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -23.247 -9.698 -10.892 1.00 0.00 O ATOM 0 H GLU A 75 -19.569 -12.535 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.378 -12.942 -10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.508 -12.605 -9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -21.009 -10.958 -8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.930 -10.486 -11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.424 -12.133 -11.652 1.00 0.00 H new ATOM 1201 N GLN A 76 -17.637 -11.222 -10.947 1.00 0.00 N ATOM 1202 CA GLN A 76 -16.670 -10.201 -11.303 1.00 0.00 C ATOM 1203 C GLN A 76 -17.193 -9.344 -12.448 1.00 0.00 C ATOM 1204 O GLN A 76 -17.477 -9.850 -13.537 1.00 0.00 O ATOM 1205 CB GLN A 76 -15.342 -10.860 -11.679 1.00 0.00 C ATOM 1206 CG GLN A 76 -14.854 -11.856 -10.637 1.00 0.00 C ATOM 1207 CD GLN A 76 -13.538 -12.510 -11.009 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -13.214 -12.657 -12.189 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -12.779 -12.916 -10.007 1.00 0.00 N ATOM 0 H GLN A 76 -17.520 -12.105 -11.445 1.00 0.00 H new ATOM 0 HA GLN A 76 -16.508 -9.549 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.454 -11.370 -12.636 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.586 -10.087 -11.816 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.742 -11.346 -9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.611 -12.629 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.086 -12.774 -9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.886 -13.371 -10.196 1.00 0.00 H new ATOM 1218 N ALA A 77 -17.338 -8.049 -12.182 1.00 0.00 N ATOM 1219 CA ALA A 77 -17.831 -7.104 -13.177 1.00 0.00 C ATOM 1220 C ALA A 77 -16.869 -6.993 -14.357 1.00 0.00 C ATOM 1221 O ALA A 77 -15.691 -7.346 -14.249 1.00 0.00 O ATOM 1222 CB ALA A 77 -18.052 -5.740 -12.541 1.00 0.00 C ATOM 0 H ALA A 77 -17.119 -7.629 -11.279 1.00 0.00 H new ATOM 0 HA ALA A 77 -18.783 -7.476 -13.556 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -18.420 -5.043 -13.294 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -18.784 -5.827 -11.738 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -17.110 -5.371 -12.135 1.00 0.00 H new ATOM 1228 N LEU A 78 -17.366 -6.463 -15.468 1.00 0.00 N ATOM 1229 CA LEU A 78 -16.600 -6.416 -16.710 1.00 0.00 C ATOM 1230 C LEU A 78 -15.536 -5.325 -16.663 1.00 0.00 C ATOM 1231 O LEU A 78 -14.720 -5.191 -17.578 1.00 0.00 O ATOM 1232 CB LEU A 78 -17.542 -6.205 -17.897 1.00 0.00 C ATOM 1233 CG LEU A 78 -18.640 -7.262 -18.037 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -19.528 -6.958 -19.230 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -18.033 -8.649 -18.168 1.00 0.00 C ATOM 0 H LEU A 78 -18.300 -6.058 -15.535 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.086 -7.369 -16.833 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -18.010 -5.225 -17.803 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.952 -6.190 -18.813 1.00 0.00 H new ATOM 0 HG LEU A 78 -19.254 -7.237 -17.136 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -20.302 -7.721 -19.312 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -19.994 -5.982 -19.097 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -18.927 -6.952 -20.139 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -18.829 -9.387 -18.266 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.394 -8.685 -19.050 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.440 -8.872 -17.281 1.00 0.00 H new ATOM 1247 N GLU A 79 -15.554 -4.543 -15.592 1.00 0.00 N ATOM 1248 CA GLU A 79 -14.518 -3.551 -15.345 1.00 0.00 C ATOM 1249 C GLU A 79 -13.243 -4.251 -14.889 1.00 0.00 C ATOM 1250 O GLU A 79 -12.132 -3.753 -15.076 1.00 0.00 O ATOM 1251 CB GLU A 79 -14.970 -2.578 -14.258 1.00 0.00 C ATOM 1252 CG GLU A 79 -16.372 -2.034 -14.457 1.00 0.00 C ATOM 1253 CD GLU A 79 -16.858 -1.260 -13.252 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -17.014 -1.877 -12.176 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -17.084 -0.038 -13.371 1.00 0.00 O ATOM 0 H GLU A 79 -16.280 -4.578 -14.876 1.00 0.00 H new ATOM 0 HA GLU A 79 -14.330 -2.999 -16.266 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.921 -3.081 -13.292 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.270 -1.743 -14.219 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.388 -1.387 -15.334 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.056 -2.859 -14.657 1.00 0.00 H new ATOM 1262 N HIS A 80 -13.428 -5.424 -14.293 1.00 0.00 N ATOM 1263 CA HIS A 80 -12.333 -6.180 -13.708 1.00 0.00 C ATOM 1264 C HIS A 80 -12.053 -7.433 -14.532 1.00 0.00 C ATOM 1265 O HIS A 80 -10.904 -7.774 -14.796 1.00 0.00 O ATOM 1266 CB HIS A 80 -12.696 -6.569 -12.271 1.00 0.00 C ATOM 1267 CG HIS A 80 -11.539 -7.019 -11.429 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -10.930 -8.246 -11.562 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -10.904 -6.399 -10.407 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -9.976 -8.360 -10.659 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -9.939 -7.253 -9.940 1.00 0.00 N ATOM 0 H HIS A 80 -14.339 -5.874 -14.203 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.435 -5.562 -13.703 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.169 -5.715 -11.787 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.437 -7.368 -12.302 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.119 -5.411 -10.028 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.332 -9.217 -10.529 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.300 -7.065 -9.167 1.00 0.00 H new ATOM 1280 N HIS A 81 -13.116 -8.116 -14.933 1.00 0.00 N ATOM 1281 CA HIS A 81 -12.993 -9.359 -15.679 1.00 0.00 C ATOM 1282 C HIS A 81 -13.474 -9.164 -17.111 1.00 0.00 C ATOM 1283 O HIS A 81 -14.646 -8.882 -17.348 1.00 0.00 O ATOM 1284 CB HIS A 81 -13.803 -10.463 -14.987 1.00 0.00 C ATOM 1285 CG HIS A 81 -13.643 -11.824 -15.601 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -12.608 -12.677 -15.285 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -14.409 -12.487 -16.497 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -12.745 -13.801 -15.961 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -13.831 -13.715 -16.703 1.00 0.00 N ATOM 0 H HIS A 81 -14.078 -7.828 -14.753 1.00 0.00 H new ATOM 0 HA HIS A 81 -11.945 -9.656 -15.706 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -13.506 -10.513 -13.939 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -14.858 -10.190 -15.007 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -15.310 -12.118 -16.965 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -12.079 -14.650 -15.914 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -14.184 -14.441 -17.327 1.00 0.00 H new ATOM 1298 N HIS A 82 -12.563 -9.306 -18.060 1.00 0.00 N ATOM 1299 CA HIS A 82 -12.897 -9.145 -19.470 1.00 0.00 C ATOM 1300 C HIS A 82 -13.232 -10.489 -20.105 1.00 0.00 C ATOM 1301 O HIS A 82 -13.017 -11.544 -19.507 1.00 0.00 O ATOM 1302 CB HIS A 82 -11.737 -8.499 -20.237 1.00 0.00 C ATOM 1303 CG HIS A 82 -11.461 -7.079 -19.850 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -10.197 -6.600 -19.582 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -12.297 -6.024 -19.702 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -10.268 -5.315 -19.285 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -11.531 -4.943 -19.353 1.00 0.00 N ATOM 0 H HIS A 82 -11.585 -9.533 -17.881 1.00 0.00 H new ATOM 0 HA HIS A 82 -13.770 -8.494 -19.527 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.835 -9.090 -20.075 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -11.956 -8.537 -21.304 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -13.369 -6.033 -19.835 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.434 -4.678 -19.030 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -11.881 -4.002 -19.175 1.00 0.00 H new ATOM 1316 N HIS A 83 -13.773 -10.437 -21.312 1.00 0.00 N ATOM 1317 CA HIS A 83 -14.030 -11.637 -22.099 1.00 0.00 C ATOM 1318 C HIS A 83 -13.229 -11.580 -23.390 1.00 0.00 C ATOM 1319 O HIS A 83 -12.822 -12.604 -23.932 1.00 0.00 O ATOM 1320 CB HIS A 83 -15.520 -11.782 -22.418 1.00 0.00 C ATOM 1321 CG HIS A 83 -16.362 -12.143 -21.235 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -17.332 -11.316 -20.720 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -16.384 -13.261 -20.476 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -17.917 -11.909 -19.698 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -17.361 -13.094 -19.526 1.00 0.00 N ATOM 0 H HIS A 83 -14.045 -9.569 -21.773 1.00 0.00 H new ATOM 0 HA HIS A 83 -13.724 -12.504 -21.513 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.884 -10.844 -22.838 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.644 -12.545 -23.186 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -15.750 -14.127 -20.595 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.717 -11.495 -19.102 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -17.615 -13.772 -18.808 1.00 0.00 H new ATOM 1334 N HIS A 84 -13.009 -10.368 -23.876 1.00 0.00 N ATOM 1335 CA HIS A 84 -12.216 -10.155 -25.074 1.00 0.00 C ATOM 1336 C HIS A 84 -11.095 -9.173 -24.791 1.00 0.00 C ATOM 1337 O HIS A 84 -11.120 -8.467 -23.781 1.00 0.00 O ATOM 1338 CB HIS A 84 -13.090 -9.652 -26.226 1.00 0.00 C ATOM 1339 CG HIS A 84 -13.949 -10.719 -26.826 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -15.186 -10.474 -27.378 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -13.734 -12.047 -26.964 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -15.694 -11.605 -27.826 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -14.833 -12.573 -27.589 1.00 0.00 N ATOM 0 H HIS A 84 -13.372 -9.513 -23.455 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.781 -11.109 -25.372 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -13.726 -8.844 -25.864 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.450 -9.231 -27.002 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.859 -12.591 -26.641 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -16.655 -11.719 -28.306 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.964 -13.555 -27.832 1.00 0.00 H new ATOM 1352 N HIS A 85 -10.116 -9.133 -25.678 1.00 0.00 N ATOM 1353 CA HIS A 85 -8.954 -8.283 -25.491 1.00 0.00 C ATOM 1354 C HIS A 85 -9.134 -6.977 -26.254 1.00 0.00 C ATOM 1355 O HIS A 85 -9.611 -5.997 -25.649 1.00 0.00 O ATOM 1356 CB HIS A 85 -7.691 -9.009 -25.960 1.00 0.00 C ATOM 1357 CG HIS A 85 -6.416 -8.363 -25.509 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -5.598 -7.641 -26.346 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -5.810 -8.360 -24.301 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -4.540 -7.226 -25.674 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -4.644 -7.649 -24.428 1.00 0.00 N ATOM 1362 OXT HIS A 85 -8.822 -6.942 -27.460 1.00 0.00 O ATOM 0 H HIS A 85 -10.103 -9.682 -26.538 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.848 -8.054 -24.431 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -7.716 -10.035 -25.593 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -7.696 -9.059 -27.049 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.177 -8.831 -23.401 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -3.727 -6.640 -26.076 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -3.969 -7.476 -23.683 1.00 0.00 H new TER 1371 HIS A 85