USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 477 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: C 18 SER OG : rot -164:sc= 0.498 USER MOD Set 1.2: C 25 SER OG : rot 180:sc= 0.024 USER MOD Set 2.1: C 20 THR OG1 : rot -111:sc= 0.142 USER MOD Set 2.2: C 22 THR OG1 : rot 180:sc= 0.184 USER MOD Single : C 9 THR OG1 : rot 26:sc= 0.632 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 84:sc= -1.62! USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 36 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.08) USER MOD Single : C 37 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.51) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-0.62) USER MOD Single : C 47 SER OG : rot 180:sc= -0.064 USER MOD Single : C 49 THR OG1 : rot 149:sc= 0.117 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 180:sc= 0 USER MOD Single : C 59 ASN : amide:sc= -5.08! C(o=-5.1!,f=-9!) USER MOD Single : C 60 TYR OH : rot -41:sc= 0.647 USER MOD Single : C 64 SER OG : rot 180:sc= -0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.960 1.978 -25.588 1.00 0.00 N ATOM 2 CA THR C 9 4.791 2.697 -25.009 1.00 0.00 C ATOM 3 C THR C 9 4.329 1.980 -23.739 1.00 0.00 C ATOM 4 O THR C 9 3.995 0.812 -23.761 1.00 0.00 O ATOM 5 CB THR C 9 3.650 2.718 -26.028 1.00 0.00 C ATOM 6 OG1 THR C 9 4.190 2.842 -27.337 1.00 0.00 O ATOM 7 CG2 THR C 9 2.727 3.903 -25.741 1.00 0.00 C ATOM 0 HA THR C 9 5.078 3.720 -24.764 1.00 0.00 H new ATOM 0 HB THR C 9 3.080 1.792 -25.955 1.00 0.00 H new ATOM 0 HG1 THR C 9 5.104 2.488 -27.349 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.915 3.916 -26.468 1.00 0.00 H new ATOM 0 HG22 THR C 9 2.314 3.807 -24.737 1.00 0.00 H new ATOM 0 HG23 THR C 9 3.294 4.831 -25.813 1.00 0.00 H new ATOM 14 N PHE C 10 4.308 2.669 -22.631 1.00 0.00 N ATOM 15 CA PHE C 10 3.868 2.025 -21.361 1.00 0.00 C ATOM 16 C PHE C 10 2.573 2.682 -20.879 1.00 0.00 C ATOM 17 O PHE C 10 2.271 3.808 -21.223 1.00 0.00 O ATOM 18 CB PHE C 10 4.954 2.201 -20.298 1.00 0.00 C ATOM 19 CG PHE C 10 5.979 1.071 -20.424 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.525 0.755 -21.655 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.371 0.353 -19.310 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.448 -0.265 -21.768 1.00 0.00 C ATOM 23 CE2 PHE C 10 7.294 -0.666 -19.424 1.00 0.00 C ATOM 24 CZ PHE C 10 7.832 -0.974 -20.653 1.00 0.00 C ATOM 0 H PHE C 10 4.576 3.650 -22.550 1.00 0.00 H new ATOM 0 HA PHE C 10 3.695 0.963 -21.533 1.00 0.00 H new ATOM 0 HB2 PHE C 10 5.445 3.167 -20.420 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.509 2.193 -19.303 1.00 0.00 H new ATOM 0 HD1 PHE C 10 6.227 1.310 -22.533 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.952 0.591 -18.344 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.869 -0.507 -22.733 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.595 -1.222 -18.548 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.555 -1.771 -20.742 1.00 0.00 H new ATOM 34 N VAL C 11 1.807 1.989 -20.082 1.00 0.00 N ATOM 35 CA VAL C 11 0.533 2.576 -19.579 1.00 0.00 C ATOM 36 C VAL C 11 0.448 2.391 -18.062 1.00 0.00 C ATOM 37 O VAL C 11 0.698 1.322 -17.543 1.00 0.00 O ATOM 38 CB VAL C 11 -0.650 1.869 -20.244 1.00 0.00 C ATOM 39 CG1 VAL C 11 -1.870 2.791 -20.228 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.290 1.524 -21.691 1.00 0.00 C ATOM 0 H VAL C 11 2.008 1.043 -19.758 1.00 0.00 H new ATOM 0 HA VAL C 11 0.504 3.639 -19.817 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.880 0.954 -19.698 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -2.713 2.288 -20.702 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.127 3.037 -19.198 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -1.641 3.707 -20.773 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.132 1.020 -22.165 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.060 2.439 -22.237 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.579 0.867 -21.703 1.00 0.00 H new ATOM 50 N ALA C 12 0.096 3.425 -17.348 1.00 0.00 N ATOM 51 CA ALA C 12 -0.005 3.306 -15.866 1.00 0.00 C ATOM 52 C ALA C 12 -1.233 2.468 -15.505 1.00 0.00 C ATOM 53 O ALA C 12 -2.355 2.925 -15.592 1.00 0.00 O ATOM 54 CB ALA C 12 -0.139 4.700 -15.250 1.00 0.00 C ATOM 0 H ALA C 12 -0.126 4.346 -17.726 1.00 0.00 H new ATOM 0 HA ALA C 12 0.892 2.823 -15.478 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.213 4.613 -14.166 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.736 5.297 -15.507 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.036 5.184 -15.637 1.00 0.00 H new ATOM 60 N LEU C 13 -1.030 1.243 -15.103 1.00 0.00 N ATOM 61 CA LEU C 13 -2.188 0.377 -14.737 1.00 0.00 C ATOM 62 C LEU C 13 -2.941 0.998 -13.560 1.00 0.00 C ATOM 63 O LEU C 13 -4.150 1.113 -13.577 1.00 0.00 O ATOM 64 CB LEU C 13 -1.687 -1.011 -14.333 1.00 0.00 C ATOM 65 CG LEU C 13 -0.791 -1.579 -15.435 1.00 0.00 C ATOM 66 CD1 LEU C 13 0.080 -2.694 -14.854 1.00 0.00 C ATOM 67 CD2 LEU C 13 -1.662 -2.146 -16.558 1.00 0.00 C ATOM 0 H LEU C 13 -0.114 0.804 -15.012 1.00 0.00 H new ATOM 0 HA LEU C 13 -2.854 0.290 -15.596 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -1.133 -0.949 -13.397 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.532 -1.677 -14.160 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.155 -0.788 -15.833 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.720 -3.101 -15.637 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.699 -2.292 -14.052 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -0.557 -3.485 -14.459 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -1.024 -2.551 -17.344 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.297 -2.938 -16.161 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.286 -1.353 -16.970 1.00 0.00 H new ATOM 79 N TYR C 14 -2.237 1.398 -12.536 1.00 0.00 N ATOM 80 CA TYR C 14 -2.921 2.009 -11.362 1.00 0.00 C ATOM 81 C TYR C 14 -2.574 3.497 -11.283 1.00 0.00 C ATOM 82 O TYR C 14 -1.728 3.987 -12.005 1.00 0.00 O ATOM 83 CB TYR C 14 -2.462 1.314 -10.074 1.00 0.00 C ATOM 84 CG TYR C 14 -2.072 -0.139 -10.369 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.772 -0.882 -11.299 1.00 0.00 C ATOM 86 CD2 TYR C 14 -1.015 -0.726 -9.704 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.419 -2.192 -11.558 1.00 0.00 C ATOM 88 CE2 TYR C 14 -0.663 -2.035 -9.963 1.00 0.00 C ATOM 89 CZ TYR C 14 -1.362 -2.778 -10.892 1.00 0.00 C ATOM 90 OH TYR C 14 -1.011 -4.088 -11.149 1.00 0.00 O ATOM 0 H TYR C 14 -1.222 1.328 -12.462 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.999 1.889 -11.475 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -1.613 1.847 -9.647 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -3.261 1.341 -9.333 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -3.601 -0.436 -11.828 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -0.458 -0.156 -8.975 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -2.975 -2.762 -12.288 1.00 0.00 H new ATOM 0 HE2 TYR C 14 0.166 -2.481 -9.434 1.00 0.00 H new ATOM 0 HH TYR C 14 -0.244 -4.337 -10.592 1.00 0.00 H new ATOM 100 N ASP C 15 -3.222 4.219 -10.410 1.00 0.00 N ATOM 101 CA ASP C 15 -2.931 5.674 -10.282 1.00 0.00 C ATOM 102 C ASP C 15 -1.783 5.874 -9.289 1.00 0.00 C ATOM 103 O ASP C 15 -1.924 5.633 -8.107 1.00 0.00 O ATOM 104 CB ASP C 15 -4.181 6.400 -9.773 1.00 0.00 C ATOM 105 CG ASP C 15 -3.803 7.808 -9.304 1.00 0.00 C ATOM 106 OD1 ASP C 15 -3.495 8.630 -10.150 1.00 0.00 O ATOM 107 OD2 ASP C 15 -3.827 8.038 -8.107 1.00 0.00 O ATOM 0 H ASP C 15 -3.941 3.863 -9.780 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.647 6.079 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.928 6.458 -10.565 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.630 5.841 -8.952 1.00 0.00 H new ATOM 112 N TYR C 16 -0.648 6.312 -9.760 1.00 0.00 N ATOM 113 CA TYR C 16 0.504 6.525 -8.841 1.00 0.00 C ATOM 114 C TYR C 16 0.397 7.912 -8.205 1.00 0.00 C ATOM 115 O TYR C 16 0.590 8.921 -8.856 1.00 0.00 O ATOM 116 CB TYR C 16 1.810 6.421 -9.630 1.00 0.00 C ATOM 117 CG TYR C 16 2.984 6.812 -8.728 1.00 0.00 C ATOM 118 CD1 TYR C 16 3.015 6.412 -7.409 1.00 0.00 C ATOM 119 CD2 TYR C 16 4.028 7.567 -9.224 1.00 0.00 C ATOM 120 CE1 TYR C 16 4.073 6.761 -6.596 1.00 0.00 C ATOM 121 CE2 TYR C 16 5.087 7.917 -8.411 1.00 0.00 C ATOM 122 CZ TYR C 16 5.118 7.517 -7.090 1.00 0.00 C ATOM 123 OH TYR C 16 6.176 7.867 -6.277 1.00 0.00 O ATOM 0 H TYR C 16 -0.469 6.531 -10.740 1.00 0.00 H new ATOM 0 HA TYR C 16 0.493 5.766 -8.059 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.944 5.404 -9.999 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.774 7.075 -10.502 1.00 0.00 H new ATOM 0 HD1 TYR C 16 2.204 5.821 -7.009 1.00 0.00 H new ATOM 0 HD2 TYR C 16 4.016 7.886 -10.256 1.00 0.00 H new ATOM 0 HE1 TYR C 16 4.084 6.441 -5.565 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.897 8.508 -8.811 1.00 0.00 H new ATOM 0 HH TYR C 16 6.828 7.135 -6.255 1.00 0.00 H new ATOM 133 N GLU C 17 0.091 7.969 -6.938 1.00 0.00 N ATOM 134 CA GLU C 17 -0.029 9.289 -6.257 1.00 0.00 C ATOM 135 C GLU C 17 1.206 9.529 -5.387 1.00 0.00 C ATOM 136 O GLU C 17 1.142 9.480 -4.175 1.00 0.00 O ATOM 137 CB GLU C 17 -1.279 9.296 -5.376 1.00 0.00 C ATOM 138 CG GLU C 17 -2.429 9.972 -6.124 1.00 0.00 C ATOM 139 CD GLU C 17 -3.712 9.854 -5.299 1.00 0.00 C ATOM 140 OE1 GLU C 17 -3.723 10.349 -4.184 1.00 0.00 O ATOM 141 OE2 GLU C 17 -4.661 9.270 -5.796 1.00 0.00 O ATOM 0 H GLU C 17 -0.081 7.158 -6.344 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.106 10.077 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -1.555 8.276 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -1.077 9.825 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -2.194 11.021 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -2.567 9.506 -7.099 1.00 0.00 H new ATOM 148 N SER C 18 2.331 9.788 -5.996 1.00 0.00 N ATOM 149 CA SER C 18 3.567 10.031 -5.201 1.00 0.00 C ATOM 150 C SER C 18 3.363 11.249 -4.300 1.00 0.00 C ATOM 151 O SER C 18 2.450 12.028 -4.490 1.00 0.00 O ATOM 152 CB SER C 18 4.740 10.290 -6.149 1.00 0.00 C ATOM 153 OG SER C 18 4.916 11.688 -6.316 1.00 0.00 O ATOM 0 H SER C 18 2.447 9.842 -7.008 1.00 0.00 H new ATOM 0 HA SER C 18 3.781 9.156 -4.587 1.00 0.00 H new ATOM 0 HB2 SER C 18 5.650 9.844 -5.748 1.00 0.00 H new ATOM 0 HB3 SER C 18 4.552 9.819 -7.114 1.00 0.00 H new ATOM 0 HG SER C 18 5.478 11.855 -7.101 1.00 0.00 H new ATOM 159 N ARG C 19 4.204 11.420 -3.317 1.00 0.00 N ATOM 160 CA ARG C 19 4.056 12.588 -2.404 1.00 0.00 C ATOM 161 C ARG C 19 5.307 13.463 -2.491 1.00 0.00 C ATOM 162 O ARG C 19 5.756 14.019 -1.508 1.00 0.00 O ATOM 163 CB ARG C 19 3.880 12.091 -0.969 1.00 0.00 C ATOM 164 CG ARG C 19 2.392 11.883 -0.679 1.00 0.00 C ATOM 165 CD ARG C 19 1.794 13.163 -0.087 1.00 0.00 C ATOM 166 NE ARG C 19 1.754 13.051 1.404 1.00 0.00 N ATOM 167 CZ ARG C 19 2.698 13.575 2.151 1.00 0.00 C ATOM 168 NH1 ARG C 19 3.701 14.224 1.618 1.00 0.00 N ATOM 169 NH2 ARG C 19 2.634 13.447 3.448 1.00 0.00 N ATOM 0 H ARG C 19 4.987 10.801 -3.107 1.00 0.00 H new ATOM 0 HA ARG C 19 3.183 13.172 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG C 19 4.423 11.156 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG C 19 4.300 12.813 -0.269 1.00 0.00 H new ATOM 0 HG2 ARG C 19 1.867 11.616 -1.596 1.00 0.00 H new ATOM 0 HG3 ARG C 19 2.260 11.054 0.016 1.00 0.00 H new ATOM 0 HD2 ARG C 19 2.391 14.026 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG C 19 0.789 13.322 -0.478 1.00 0.00 H new ATOM 0 HE ARG C 19 0.979 12.559 1.849 1.00 0.00 H new ATOM 0 HH11 ARG C 19 3.759 14.330 0.605 1.00 0.00 H new ATOM 0 HH12 ARG C 19 4.425 14.624 2.215 1.00 0.00 H new ATOM 0 HH21 ARG C 19 1.855 12.943 3.873 1.00 0.00 H new ATOM 0 HH22 ARG C 19 3.363 13.851 4.037 1.00 0.00 H new ATOM 183 N THR C 20 5.874 13.590 -3.659 1.00 0.00 N ATOM 184 CA THR C 20 7.096 14.430 -3.807 1.00 0.00 C ATOM 185 C THR C 20 7.203 14.926 -5.250 1.00 0.00 C ATOM 186 O THR C 20 6.846 14.234 -6.182 1.00 0.00 O ATOM 187 CB THR C 20 8.333 13.597 -3.461 1.00 0.00 C ATOM 188 OG1 THR C 20 9.462 14.453 -3.351 1.00 0.00 O ATOM 189 CG2 THR C 20 8.580 12.566 -4.562 1.00 0.00 C ATOM 0 H THR C 20 5.544 13.149 -4.517 1.00 0.00 H new ATOM 0 HA THR C 20 7.033 15.284 -3.133 1.00 0.00 H new ATOM 0 HB THR C 20 8.172 13.083 -2.514 1.00 0.00 H new ATOM 0 HG1 THR C 20 10.077 14.280 -4.094 1.00 0.00 H new ATOM 0 HG21 THR C 20 9.461 11.974 -4.315 1.00 0.00 H new ATOM 0 HG22 THR C 20 7.714 11.910 -4.647 1.00 0.00 H new ATOM 0 HG23 THR C 20 8.742 13.078 -5.510 1.00 0.00 H new ATOM 197 N GLU C 21 7.691 16.121 -5.442 1.00 0.00 N ATOM 198 CA GLU C 21 7.821 16.659 -6.820 1.00 0.00 C ATOM 199 C GLU C 21 8.839 15.828 -7.603 1.00 0.00 C ATOM 200 O GLU C 21 8.825 15.794 -8.818 1.00 0.00 O ATOM 201 CB GLU C 21 8.288 18.114 -6.745 1.00 0.00 C ATOM 202 CG GLU C 21 9.767 18.160 -6.354 1.00 0.00 C ATOM 203 CD GLU C 21 10.588 18.703 -7.525 1.00 0.00 C ATOM 204 OE1 GLU C 21 10.746 17.983 -8.498 1.00 0.00 O ATOM 205 OE2 GLU C 21 11.046 19.831 -7.430 1.00 0.00 O ATOM 0 H GLU C 21 8.005 16.747 -4.701 1.00 0.00 H new ATOM 0 HA GLU C 21 6.858 16.609 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU C 21 8.141 18.604 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU C 21 7.691 18.661 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU C 21 9.903 18.793 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU C 21 10.114 17.162 -6.084 1.00 0.00 H new ATOM 212 N THR C 22 9.726 15.156 -6.918 1.00 0.00 N ATOM 213 CA THR C 22 10.741 14.328 -7.627 1.00 0.00 C ATOM 214 C THR C 22 10.035 13.393 -8.611 1.00 0.00 C ATOM 215 O THR C 22 10.098 13.577 -9.810 1.00 0.00 O ATOM 216 CB THR C 22 11.529 13.501 -6.607 1.00 0.00 C ATOM 217 OG1 THR C 22 11.791 14.294 -5.460 1.00 0.00 O ATOM 218 CG2 THR C 22 12.850 13.045 -7.229 1.00 0.00 C ATOM 0 H THR C 22 9.790 15.145 -5.900 1.00 0.00 H new ATOM 0 HA THR C 22 11.427 14.977 -8.171 1.00 0.00 H new ATOM 0 HB THR C 22 10.946 12.626 -6.318 1.00 0.00 H new ATOM 0 HG1 THR C 22 12.294 13.766 -4.805 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.410 12.457 -6.502 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.646 12.436 -8.110 1.00 0.00 H new ATOM 0 HG23 THR C 22 13.436 13.917 -7.519 1.00 0.00 H new ATOM 226 N ASP C 23 9.365 12.390 -8.113 1.00 0.00 N ATOM 227 CA ASP C 23 8.655 11.446 -9.022 1.00 0.00 C ATOM 228 C ASP C 23 7.302 12.045 -9.405 1.00 0.00 C ATOM 229 O ASP C 23 6.608 12.611 -8.583 1.00 0.00 O ATOM 230 CB ASP C 23 8.434 10.104 -8.311 1.00 0.00 C ATOM 231 CG ASP C 23 9.507 9.895 -7.239 1.00 0.00 C ATOM 232 OD1 ASP C 23 10.638 10.286 -7.473 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.178 9.344 -6.201 1.00 0.00 O ATOM 0 H ASP C 23 9.279 12.184 -7.118 1.00 0.00 H new ATOM 0 HA ASP C 23 9.256 11.282 -9.916 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.444 10.084 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP C 23 8.468 9.290 -9.035 1.00 0.00 H new ATOM 238 N LEU C 24 6.919 11.926 -10.646 1.00 0.00 N ATOM 239 CA LEU C 24 5.610 12.491 -11.074 1.00 0.00 C ATOM 240 C LEU C 24 4.503 11.467 -10.818 1.00 0.00 C ATOM 241 O LEU C 24 4.714 10.274 -10.899 1.00 0.00 O ATOM 242 CB LEU C 24 5.660 12.826 -12.566 1.00 0.00 C ATOM 243 CG LEU C 24 6.313 14.200 -12.777 1.00 0.00 C ATOM 244 CD1 LEU C 24 5.277 15.296 -12.528 1.00 0.00 C ATOM 245 CD2 LEU C 24 7.489 14.387 -11.810 1.00 0.00 C ATOM 0 H LEU C 24 7.455 11.463 -11.380 1.00 0.00 H new ATOM 0 HA LEU C 24 5.404 13.398 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU C 24 6.224 12.061 -13.100 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.652 12.826 -12.981 1.00 0.00 H new ATOM 0 HG LEU C 24 6.683 14.261 -13.801 1.00 0.00 H new ATOM 0 HD11 LEU C 24 5.738 16.273 -12.677 1.00 0.00 H new ATOM 0 HD12 LEU C 24 4.447 15.176 -13.224 1.00 0.00 H new ATOM 0 HD13 LEU C 24 4.907 15.222 -11.505 1.00 0.00 H new ATOM 0 HD21 LEU C 24 7.941 15.365 -11.972 1.00 0.00 H new ATOM 0 HD22 LEU C 24 7.130 14.319 -10.783 1.00 0.00 H new ATOM 0 HD23 LEU C 24 8.233 13.610 -11.987 1.00 0.00 H new ATOM 257 N SER C 25 3.325 11.928 -10.507 1.00 0.00 N ATOM 258 CA SER C 25 2.201 10.988 -10.245 1.00 0.00 C ATOM 259 C SER C 25 1.324 10.889 -11.494 1.00 0.00 C ATOM 260 O SER C 25 1.160 11.848 -12.224 1.00 0.00 O ATOM 261 CB SER C 25 1.365 11.513 -9.076 1.00 0.00 C ATOM 262 OG SER C 25 1.919 12.735 -8.609 1.00 0.00 O ATOM 0 H SER C 25 3.091 12.917 -10.423 1.00 0.00 H new ATOM 0 HA SER C 25 2.596 10.003 -9.997 1.00 0.00 H new ATOM 0 HB2 SER C 25 0.333 11.667 -9.393 1.00 0.00 H new ATOM 0 HB3 SER C 25 1.345 10.779 -8.270 1.00 0.00 H new ATOM 0 HG SER C 25 1.383 13.073 -7.861 1.00 0.00 H new ATOM 268 N PHE C 26 0.759 9.742 -11.750 1.00 0.00 N ATOM 269 CA PHE C 26 -0.104 9.597 -12.955 1.00 0.00 C ATOM 270 C PHE C 26 -1.420 8.922 -12.570 1.00 0.00 C ATOM 271 O PHE C 26 -1.577 8.417 -11.476 1.00 0.00 O ATOM 272 CB PHE C 26 0.615 8.749 -14.008 1.00 0.00 C ATOM 273 CG PHE C 26 1.401 7.630 -13.325 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.806 6.409 -13.075 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.722 7.821 -12.962 1.00 0.00 C ATOM 276 CE1 PHE C 26 1.519 5.392 -12.474 1.00 0.00 C ATOM 277 CE2 PHE C 26 3.435 6.805 -12.360 1.00 0.00 C ATOM 278 CZ PHE C 26 2.834 5.590 -12.117 1.00 0.00 C ATOM 0 H PHE C 26 0.857 8.902 -11.180 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.311 10.585 -13.366 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.110 8.325 -14.703 1.00 0.00 H new ATOM 0 HB3 PHE C 26 1.289 9.374 -14.593 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.226 6.249 -13.352 1.00 0.00 H new ATOM 0 HD2 PHE C 26 3.198 8.772 -13.151 1.00 0.00 H new ATOM 0 HE1 PHE C 26 1.045 4.440 -12.284 1.00 0.00 H new ATOM 0 HE2 PHE C 26 4.466 6.963 -12.079 1.00 0.00 H new ATOM 0 HZ PHE C 26 3.393 4.794 -11.647 1.00 0.00 H new ATOM 288 N LYS C 27 -2.369 8.914 -13.464 1.00 0.00 N ATOM 289 CA LYS C 27 -3.679 8.274 -13.159 1.00 0.00 C ATOM 290 C LYS C 27 -3.876 7.059 -14.067 1.00 0.00 C ATOM 291 O LYS C 27 -3.196 6.898 -15.060 1.00 0.00 O ATOM 292 CB LYS C 27 -4.808 9.280 -13.401 1.00 0.00 C ATOM 293 CG LYS C 27 -4.699 10.426 -12.393 1.00 0.00 C ATOM 294 CD LYS C 27 -6.080 11.045 -12.173 1.00 0.00 C ATOM 295 CE LYS C 27 -7.040 9.977 -11.644 1.00 0.00 C ATOM 296 NZ LYS C 27 -8.194 9.843 -12.576 1.00 0.00 N ATOM 0 H LYS C 27 -2.294 9.324 -14.395 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.694 7.956 -12.117 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.750 9.669 -14.417 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.775 8.787 -13.303 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -4.300 10.057 -11.448 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -4.004 11.182 -12.759 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -6.011 11.871 -11.465 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -6.458 11.458 -13.108 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -6.523 9.022 -11.549 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -7.392 10.249 -10.649 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -8.847 9.117 -12.218 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -8.692 10.753 -12.645 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -7.850 9.564 -13.517 1.00 0.00 H new ATOM 310 N LYS C 28 -4.803 6.202 -13.735 1.00 0.00 N ATOM 311 CA LYS C 28 -5.041 4.999 -14.582 1.00 0.00 C ATOM 312 C LYS C 28 -5.561 5.437 -15.951 1.00 0.00 C ATOM 313 O LYS C 28 -6.535 6.157 -16.055 1.00 0.00 O ATOM 314 CB LYS C 28 -6.077 4.096 -13.909 1.00 0.00 C ATOM 315 CG LYS C 28 -6.489 2.985 -14.877 1.00 0.00 C ATOM 316 CD LYS C 28 -7.944 3.191 -15.302 1.00 0.00 C ATOM 317 CE LYS C 28 -8.597 1.831 -15.559 1.00 0.00 C ATOM 318 NZ LYS C 28 -9.365 1.411 -14.353 1.00 0.00 N ATOM 0 H LYS C 28 -5.405 6.283 -12.915 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.107 4.451 -14.704 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -5.662 3.664 -12.998 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -6.949 4.680 -13.616 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -5.839 2.991 -15.752 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -6.373 2.012 -14.401 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -8.489 3.727 -14.525 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -7.988 3.804 -16.202 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -9.260 1.892 -16.422 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -7.834 1.088 -15.794 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -9.808 0.487 -14.528 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -8.721 1.337 -13.540 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -10.102 2.115 -14.148 1.00 0.00 H new ATOM 332 N GLY C 29 -4.920 5.011 -17.004 1.00 0.00 N ATOM 333 CA GLY C 29 -5.379 5.404 -18.366 1.00 0.00 C ATOM 334 C GLY C 29 -4.390 6.402 -18.971 1.00 0.00 C ATOM 335 O GLY C 29 -4.460 6.728 -20.139 1.00 0.00 O ATOM 0 H GLY C 29 -4.098 4.408 -16.980 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.458 4.523 -19.003 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.373 5.848 -18.312 1.00 0.00 H new ATOM 339 N GLU C 30 -3.469 6.890 -18.185 1.00 0.00 N ATOM 340 CA GLU C 30 -2.477 7.866 -18.718 1.00 0.00 C ATOM 341 C GLU C 30 -1.321 7.110 -19.374 1.00 0.00 C ATOM 342 O GLU C 30 -0.671 6.291 -18.755 1.00 0.00 O ATOM 343 CB GLU C 30 -1.939 8.726 -17.574 1.00 0.00 C ATOM 344 CG GLU C 30 -1.063 9.842 -18.146 1.00 0.00 C ATOM 345 CD GLU C 30 -1.163 11.080 -17.253 1.00 0.00 C ATOM 346 OE1 GLU C 30 -0.509 11.097 -16.223 1.00 0.00 O ATOM 347 OE2 GLU C 30 -1.893 11.989 -17.613 1.00 0.00 O ATOM 0 H GLU C 30 -3.361 6.655 -17.198 1.00 0.00 H new ATOM 0 HA GLU C 30 -2.959 8.506 -19.456 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -2.765 9.153 -17.005 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.360 8.112 -16.884 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.027 9.509 -18.209 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -1.382 10.085 -19.160 1.00 0.00 H new ATOM 354 N ARG C 31 -1.059 7.380 -20.623 1.00 0.00 N ATOM 355 CA ARG C 31 0.057 6.677 -21.318 1.00 0.00 C ATOM 356 C ARG C 31 1.375 7.391 -21.013 1.00 0.00 C ATOM 357 O ARG C 31 1.568 8.537 -21.369 1.00 0.00 O ATOM 358 CB ARG C 31 -0.196 6.691 -22.827 1.00 0.00 C ATOM 359 CG ARG C 31 -1.666 6.367 -23.101 1.00 0.00 C ATOM 360 CD ARG C 31 -1.757 5.175 -24.055 1.00 0.00 C ATOM 361 NE ARG C 31 -2.641 5.523 -25.202 1.00 0.00 N ATOM 362 CZ ARG C 31 -3.117 4.583 -25.973 1.00 0.00 C ATOM 363 NH1 ARG C 31 -2.821 3.332 -25.743 1.00 0.00 N ATOM 364 NH2 ARG C 31 -3.891 4.895 -26.978 1.00 0.00 N ATOM 0 H ARG C 31 -1.568 8.056 -21.192 1.00 0.00 H new ATOM 0 HA ARG C 31 0.114 5.646 -20.969 1.00 0.00 H new ATOM 0 HB2 ARG C 31 0.055 7.668 -23.240 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.446 5.962 -23.321 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -2.179 6.139 -22.167 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.165 7.233 -23.536 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -0.764 4.908 -24.416 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -2.150 4.305 -23.530 1.00 0.00 H new ATOM 0 HE ARG C 31 -2.875 6.499 -25.386 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -2.216 3.087 -24.959 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.195 2.600 -26.347 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -4.123 5.872 -27.159 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -4.264 4.162 -27.581 1.00 0.00 H new ATOM 378 N LEU C 32 2.285 6.725 -20.356 1.00 0.00 N ATOM 379 CA LEU C 32 3.588 7.369 -20.030 1.00 0.00 C ATOM 380 C LEU C 32 4.667 6.842 -20.977 1.00 0.00 C ATOM 381 O LEU C 32 4.786 5.653 -21.199 1.00 0.00 O ATOM 382 CB LEU C 32 3.973 7.040 -18.586 1.00 0.00 C ATOM 383 CG LEU C 32 2.769 7.273 -17.671 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.727 6.184 -16.597 1.00 0.00 C ATOM 385 CD2 LEU C 32 2.893 8.643 -17.003 1.00 0.00 C ATOM 0 H LEU C 32 2.182 5.764 -20.031 1.00 0.00 H new ATOM 0 HA LEU C 32 3.498 8.449 -20.145 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.303 6.004 -18.514 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.809 7.664 -18.270 1.00 0.00 H new ATOM 0 HG LEU C 32 1.853 7.238 -18.260 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.870 6.349 -15.945 1.00 0.00 H new ATOM 0 HD12 LEU C 32 2.638 5.207 -17.073 1.00 0.00 H new ATOM 0 HD13 LEU C 32 3.643 6.219 -16.008 1.00 0.00 H new ATOM 0 HD21 LEU C 32 2.035 8.809 -16.351 1.00 0.00 H new ATOM 0 HD22 LEU C 32 3.809 8.679 -16.413 1.00 0.00 H new ATOM 0 HD23 LEU C 32 2.923 9.419 -17.768 1.00 0.00 H new ATOM 397 N GLN C 33 5.455 7.716 -21.540 1.00 0.00 N ATOM 398 CA GLN C 33 6.526 7.264 -22.472 1.00 0.00 C ATOM 399 C GLN C 33 7.766 6.868 -21.668 1.00 0.00 C ATOM 400 O GLN C 33 8.514 7.708 -21.211 1.00 0.00 O ATOM 401 CB GLN C 33 6.882 8.401 -23.431 1.00 0.00 C ATOM 402 CG GLN C 33 7.149 7.830 -24.824 1.00 0.00 C ATOM 403 CD GLN C 33 7.398 8.975 -25.808 1.00 0.00 C ATOM 404 OE1 GLN C 33 6.470 9.617 -26.259 1.00 0.00 O ATOM 405 NE2 GLN C 33 8.621 9.263 -26.159 1.00 0.00 N ATOM 0 H GLN C 33 5.403 8.724 -21.395 1.00 0.00 H new ATOM 0 HA GLN C 33 6.173 6.405 -23.043 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.067 9.124 -23.473 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.762 8.933 -23.070 1.00 0.00 H new ATOM 0 HG2 GLN C 33 8.013 7.166 -24.797 1.00 0.00 H new ATOM 0 HG3 GLN C 33 6.298 7.233 -25.153 1.00 0.00 H new ATOM 0 HE21 GLN C 33 9.400 8.725 -25.781 1.00 0.00 H new ATOM 0 HE22 GLN C 33 8.798 10.027 -26.812 1.00 0.00 H new ATOM 414 N ILE C 34 7.988 5.594 -21.490 1.00 0.00 N ATOM 415 CA ILE C 34 9.180 5.149 -20.716 1.00 0.00 C ATOM 416 C ILE C 34 10.432 5.824 -21.278 1.00 0.00 C ATOM 417 O ILE C 34 10.532 6.083 -22.461 1.00 0.00 O ATOM 418 CB ILE C 34 9.327 3.630 -20.826 1.00 0.00 C ATOM 419 CG1 ILE C 34 8.064 2.954 -20.291 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.534 3.172 -20.004 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.731 3.518 -18.907 1.00 0.00 C ATOM 0 H ILE C 34 7.396 4.844 -21.847 1.00 0.00 H new ATOM 0 HA ILE C 34 9.055 5.425 -19.669 1.00 0.00 H new ATOM 0 HB ILE C 34 9.472 3.356 -21.871 1.00 0.00 H new ATOM 0 HG12 ILE C 34 7.231 3.122 -20.974 1.00 0.00 H new ATOM 0 HG13 ILE C 34 8.214 1.876 -20.230 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.638 2.090 -20.083 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.436 3.652 -20.384 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.389 3.447 -18.959 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.831 3.037 -18.525 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.561 3.327 -18.227 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.564 4.592 -18.983 1.00 0.00 H new ATOM 433 N VAL C 35 11.389 6.111 -20.439 1.00 0.00 N ATOM 434 CA VAL C 35 12.634 6.769 -20.924 1.00 0.00 C ATOM 435 C VAL C 35 13.776 5.756 -20.919 1.00 0.00 C ATOM 436 O VAL C 35 14.290 5.374 -21.951 1.00 0.00 O ATOM 437 CB VAL C 35 12.984 7.937 -20.001 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.285 8.588 -20.473 1.00 0.00 C ATOM 439 CG2 VAL C 35 11.855 8.970 -20.035 1.00 0.00 C ATOM 0 H VAL C 35 11.362 5.918 -19.438 1.00 0.00 H new ATOM 0 HA VAL C 35 12.481 7.140 -21.937 1.00 0.00 H new ATOM 0 HB VAL C 35 13.110 7.570 -18.982 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.535 9.421 -19.815 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.089 7.853 -20.449 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.159 8.955 -21.492 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.104 9.803 -19.377 1.00 0.00 H new ATOM 0 HG22 VAL C 35 11.728 9.337 -21.053 1.00 0.00 H new ATOM 0 HG23 VAL C 35 10.928 8.507 -19.699 1.00 0.00 H new ATOM 449 N ASN C 36 14.174 5.320 -19.760 1.00 0.00 N ATOM 450 CA ASN C 36 15.283 4.330 -19.672 1.00 0.00 C ATOM 451 C ASN C 36 15.150 3.536 -18.372 1.00 0.00 C ATOM 452 O ASN C 36 14.102 3.510 -17.757 1.00 0.00 O ATOM 453 CB ASN C 36 16.626 5.063 -19.687 1.00 0.00 C ATOM 454 CG ASN C 36 17.618 4.296 -20.563 1.00 0.00 C ATOM 455 OD1 ASN C 36 18.652 3.864 -20.093 1.00 0.00 O ATOM 456 ND2 ASN C 36 17.343 4.105 -21.825 1.00 0.00 N ATOM 0 H ASN C 36 13.778 5.607 -18.865 1.00 0.00 H new ATOM 0 HA ASN C 36 15.233 3.650 -20.522 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.495 6.076 -20.069 1.00 0.00 H new ATOM 0 HB3 ASN C 36 17.014 5.153 -18.673 1.00 0.00 H new ATOM 0 HD21 ASN C 36 17.996 3.593 -22.417 1.00 0.00 H new ATOM 0 HD22 ASN C 36 16.475 4.468 -22.218 1.00 0.00 H new ATOM 463 N ASN C 37 16.198 2.888 -17.949 1.00 0.00 N ATOM 464 CA ASN C 37 16.123 2.100 -16.688 1.00 0.00 C ATOM 465 C ASN C 37 15.118 0.959 -16.857 1.00 0.00 C ATOM 466 O ASN C 37 13.925 1.174 -16.930 1.00 0.00 O ATOM 467 CB ASN C 37 15.670 3.010 -15.545 1.00 0.00 C ATOM 468 CG ASN C 37 16.442 4.330 -15.609 1.00 0.00 C ATOM 469 OD1 ASN C 37 17.524 4.441 -15.066 1.00 0.00 O ATOM 470 ND2 ASN C 37 15.929 5.341 -16.254 1.00 0.00 N ATOM 0 H ASN C 37 17.102 2.870 -18.421 1.00 0.00 H new ATOM 0 HA ASN C 37 17.106 1.688 -16.459 1.00 0.00 H new ATOM 0 HB2 ASN C 37 14.599 3.199 -15.618 1.00 0.00 H new ATOM 0 HB3 ASN C 37 15.843 2.521 -14.586 1.00 0.00 H new ATOM 0 HD21 ASN C 37 16.436 6.225 -16.303 1.00 0.00 H new ATOM 0 HD22 ASN C 37 15.021 5.248 -16.710 1.00 0.00 H new ATOM 477 N THR C 38 15.593 -0.254 -16.925 1.00 0.00 N ATOM 478 CA THR C 38 14.665 -1.409 -17.090 1.00 0.00 C ATOM 479 C THR C 38 14.465 -2.087 -15.736 1.00 0.00 C ATOM 480 O THR C 38 13.375 -2.498 -15.388 1.00 0.00 O ATOM 481 CB THR C 38 15.260 -2.410 -18.086 1.00 0.00 C ATOM 482 OG1 THR C 38 14.692 -3.693 -17.860 1.00 0.00 O ATOM 483 CG2 THR C 38 16.777 -2.483 -17.901 1.00 0.00 C ATOM 0 H THR C 38 16.583 -0.496 -16.874 1.00 0.00 H new ATOM 0 HA THR C 38 13.705 -1.057 -17.469 1.00 0.00 H new ATOM 0 HB THR C 38 15.038 -2.085 -19.102 1.00 0.00 H new ATOM 0 HG1 THR C 38 15.070 -4.335 -18.497 1.00 0.00 H new ATOM 0 HG21 THR C 38 17.196 -3.196 -18.611 1.00 0.00 H new ATOM 0 HG22 THR C 38 17.212 -1.499 -18.075 1.00 0.00 H new ATOM 0 HG23 THR C 38 17.005 -2.806 -16.885 1.00 0.00 H new ATOM 491 N GLU C 39 15.511 -2.208 -14.970 1.00 0.00 N ATOM 492 CA GLU C 39 15.393 -2.857 -13.635 1.00 0.00 C ATOM 493 C GLU C 39 15.438 -1.782 -12.549 1.00 0.00 C ATOM 494 O GLU C 39 15.683 -0.623 -12.821 1.00 0.00 O ATOM 495 CB GLU C 39 16.554 -3.842 -13.420 1.00 0.00 C ATOM 496 CG GLU C 39 17.488 -3.848 -14.635 1.00 0.00 C ATOM 497 CD GLU C 39 18.494 -4.992 -14.497 1.00 0.00 C ATOM 498 OE1 GLU C 39 19.213 -5.006 -13.511 1.00 0.00 O ATOM 499 OE2 GLU C 39 18.527 -5.835 -15.377 1.00 0.00 O ATOM 0 H GLU C 39 16.447 -1.884 -15.212 1.00 0.00 H new ATOM 0 HA GLU C 39 14.450 -3.401 -13.584 1.00 0.00 H new ATOM 0 HB2 GLU C 39 17.113 -3.564 -12.526 1.00 0.00 H new ATOM 0 HB3 GLU C 39 16.161 -4.845 -13.252 1.00 0.00 H new ATOM 0 HG2 GLU C 39 16.910 -3.966 -15.551 1.00 0.00 H new ATOM 0 HG3 GLU C 39 18.012 -2.895 -14.709 1.00 0.00 H new ATOM 506 N GLY C 40 15.203 -2.150 -11.320 1.00 0.00 N ATOM 507 CA GLY C 40 15.235 -1.141 -10.223 1.00 0.00 C ATOM 508 C GLY C 40 13.811 -0.867 -9.734 1.00 0.00 C ATOM 509 O GLY C 40 13.605 -0.410 -8.628 1.00 0.00 O ATOM 0 H GLY C 40 14.991 -3.104 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY C 40 15.849 -1.504 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.692 -0.217 -10.578 1.00 0.00 H new ATOM 513 N ASP C 41 12.830 -1.132 -10.560 1.00 0.00 N ATOM 514 CA ASP C 41 11.408 -0.895 -10.164 1.00 0.00 C ATOM 515 C ASP C 41 11.027 0.568 -10.414 1.00 0.00 C ATOM 516 O ASP C 41 9.889 0.877 -10.707 1.00 0.00 O ATOM 517 CB ASP C 41 11.213 -1.226 -8.682 1.00 0.00 C ATOM 518 CG ASP C 41 11.988 -2.498 -8.335 1.00 0.00 C ATOM 519 OD1 ASP C 41 12.009 -3.398 -9.160 1.00 0.00 O ATOM 520 OD2 ASP C 41 12.548 -2.552 -7.253 1.00 0.00 O ATOM 0 H ASP C 41 12.955 -1.506 -11.501 1.00 0.00 H new ATOM 0 HA ASP C 41 10.768 -1.541 -10.765 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.560 -0.397 -8.065 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.153 -1.363 -8.466 1.00 0.00 H new ATOM 525 N TRP C 42 11.962 1.475 -10.304 1.00 0.00 N ATOM 526 CA TRP C 42 11.633 2.909 -10.539 1.00 0.00 C ATOM 527 C TRP C 42 12.335 3.401 -11.806 1.00 0.00 C ATOM 528 O TRP C 42 13.529 3.627 -11.821 1.00 0.00 O ATOM 529 CB TRP C 42 12.099 3.741 -9.342 1.00 0.00 C ATOM 530 CG TRP C 42 11.240 3.403 -8.124 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.555 2.492 -7.187 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.066 3.962 -7.837 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.523 2.539 -6.343 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.551 3.425 -6.672 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.361 4.936 -8.515 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.339 3.863 -6.185 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.145 5.374 -8.027 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.635 4.836 -6.862 1.00 0.00 C ATOM 0 H TRP C 42 12.935 1.285 -10.063 1.00 0.00 H new ATOM 0 HA TRP C 42 10.555 3.015 -10.661 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.148 3.536 -9.129 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.022 4.804 -9.572 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.436 1.869 -7.131 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.469 1.951 -5.511 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.760 5.356 -9.427 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 7.940 3.444 -5.273 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.594 6.137 -8.556 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.684 5.178 -6.481 1.00 0.00 H new ATOM 549 N TRP C 43 11.599 3.567 -12.871 1.00 0.00 N ATOM 550 CA TRP C 43 12.215 4.044 -14.141 1.00 0.00 C ATOM 551 C TRP C 43 11.860 5.517 -14.343 1.00 0.00 C ATOM 552 O TRP C 43 11.195 6.116 -13.523 1.00 0.00 O ATOM 553 CB TRP C 43 11.664 3.226 -15.311 1.00 0.00 C ATOM 554 CG TRP C 43 11.880 1.737 -15.036 1.00 0.00 C ATOM 555 CD1 TRP C 43 13.003 1.203 -14.530 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.984 0.781 -15.272 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.732 -0.103 -14.478 1.00 0.00 N ATOM 558 CE2 TRP C 43 11.498 -0.453 -14.921 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.707 0.877 -15.787 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.732 -1.590 -15.086 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.943 -0.261 -15.951 1.00 0.00 C ATOM 562 CH2 TRP C 43 9.456 -1.494 -15.600 1.00 0.00 C ATOM 0 H TRP C 43 10.595 3.392 -12.916 1.00 0.00 H new ATOM 0 HA TRP C 43 13.298 3.927 -14.093 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.602 3.432 -15.445 1.00 0.00 H new ATOM 0 HB3 TRP C 43 12.164 3.512 -16.237 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.910 1.710 -14.235 1.00 0.00 H new ATOM 0 HE1 TRP C 43 13.403 -0.788 -14.131 1.00 0.00 H new ATOM 0 HE3 TRP C 43 9.306 1.841 -16.061 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 11.132 -2.555 -14.812 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.944 -0.187 -16.354 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.857 -2.384 -15.728 1.00 0.00 H new ATOM 573 N LEU C 44 12.296 6.109 -15.419 1.00 0.00 N ATOM 574 CA LEU C 44 11.973 7.543 -15.659 1.00 0.00 C ATOM 575 C LEU C 44 10.986 7.642 -16.821 1.00 0.00 C ATOM 576 O LEU C 44 11.303 7.307 -17.944 1.00 0.00 O ATOM 577 CB LEU C 44 13.252 8.306 -16.007 1.00 0.00 C ATOM 578 CG LEU C 44 12.949 9.805 -16.058 1.00 0.00 C ATOM 579 CD1 LEU C 44 13.050 10.392 -14.652 1.00 0.00 C ATOM 580 CD2 LEU C 44 13.964 10.498 -16.968 1.00 0.00 C ATOM 0 H LEU C 44 12.861 5.663 -16.142 1.00 0.00 H new ATOM 0 HA LEU C 44 11.531 7.976 -14.762 1.00 0.00 H new ATOM 0 HB2 LEU C 44 14.023 8.104 -15.263 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.640 7.969 -16.968 1.00 0.00 H new ATOM 0 HG LEU C 44 11.943 9.959 -16.447 1.00 0.00 H new ATOM 0 HD11 LEU C 44 12.834 11.460 -14.687 1.00 0.00 H new ATOM 0 HD12 LEU C 44 12.331 9.898 -13.999 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.057 10.238 -14.265 1.00 0.00 H new ATOM 0 HD21 LEU C 44 13.749 11.566 -17.005 1.00 0.00 H new ATOM 0 HD22 LEU C 44 14.969 10.343 -16.576 1.00 0.00 H new ATOM 0 HD23 LEU C 44 13.898 10.079 -17.972 1.00 0.00 H new ATOM 592 N ALA C 45 9.792 8.100 -16.567 1.00 0.00 N ATOM 593 CA ALA C 45 8.797 8.212 -17.669 1.00 0.00 C ATOM 594 C ALA C 45 8.481 9.682 -17.945 1.00 0.00 C ATOM 595 O ALA C 45 8.771 10.556 -17.149 1.00 0.00 O ATOM 596 CB ALA C 45 7.513 7.484 -17.268 1.00 0.00 C ATOM 0 H ALA C 45 9.463 8.400 -15.649 1.00 0.00 H new ATOM 0 HA ALA C 45 9.212 7.762 -18.571 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.783 7.564 -18.073 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.734 6.433 -17.082 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.106 7.935 -16.363 1.00 0.00 H new ATOM 602 N HIS C 46 7.888 9.956 -19.076 1.00 0.00 N ATOM 603 CA HIS C 46 7.542 11.361 -19.428 1.00 0.00 C ATOM 604 C HIS C 46 6.078 11.413 -19.874 1.00 0.00 C ATOM 605 O HIS C 46 5.720 10.908 -20.920 1.00 0.00 O ATOM 606 CB HIS C 46 8.454 11.839 -20.566 1.00 0.00 C ATOM 607 CG HIS C 46 7.826 13.044 -21.273 1.00 0.00 C ATOM 608 ND1 HIS C 46 7.793 14.225 -20.816 1.00 0.00 N ATOM 609 CD2 HIS C 46 7.188 13.117 -22.498 1.00 0.00 C ATOM 610 CE1 HIS C 46 7.201 15.011 -21.636 1.00 0.00 C ATOM 611 NE2 HIS C 46 6.790 14.379 -22.724 1.00 0.00 N ATOM 0 H HIS C 46 7.627 9.261 -19.775 1.00 0.00 H new ATOM 0 HA HIS C 46 7.682 12.010 -18.564 1.00 0.00 H new ATOM 0 HB2 HIS C 46 9.432 12.110 -20.169 1.00 0.00 H new ATOM 0 HB3 HIS C 46 8.612 11.031 -21.280 1.00 0.00 H new ATOM 0 HD2 HIS C 46 7.034 12.286 -23.170 1.00 0.00 H new ATOM 0 HE1 HIS C 46 7.054 16.066 -21.460 1.00 0.00 H new ATOM 0 HE2 HIS C 46 6.295 14.756 -23.532 1.00 0.00 H new ATOM 619 N SER C 47 5.228 12.019 -19.090 1.00 0.00 N ATOM 620 CA SER C 47 3.791 12.101 -19.474 1.00 0.00 C ATOM 621 C SER C 47 3.646 12.965 -20.728 1.00 0.00 C ATOM 622 O SER C 47 4.458 13.826 -20.997 1.00 0.00 O ATOM 623 CB SER C 47 2.992 12.726 -18.329 1.00 0.00 C ATOM 624 OG SER C 47 2.996 11.847 -17.214 1.00 0.00 O ATOM 0 H SER C 47 5.467 12.460 -18.202 1.00 0.00 H new ATOM 0 HA SER C 47 3.412 11.099 -19.677 1.00 0.00 H new ATOM 0 HB2 SER C 47 3.426 13.686 -18.050 1.00 0.00 H new ATOM 0 HB3 SER C 47 1.968 12.920 -18.649 1.00 0.00 H new ATOM 0 HG SER C 47 2.486 12.248 -16.480 1.00 0.00 H new ATOM 630 N LEU C 48 2.617 12.739 -21.498 1.00 0.00 N ATOM 631 CA LEU C 48 2.420 13.547 -22.733 1.00 0.00 C ATOM 632 C LEU C 48 1.318 14.583 -22.494 1.00 0.00 C ATOM 633 O LEU C 48 0.811 15.189 -23.417 1.00 0.00 O ATOM 634 CB LEU C 48 2.017 12.627 -23.887 1.00 0.00 C ATOM 635 CG LEU C 48 2.806 11.319 -23.795 1.00 0.00 C ATOM 636 CD1 LEU C 48 2.233 10.306 -24.788 1.00 0.00 C ATOM 637 CD2 LEU C 48 4.276 11.585 -24.128 1.00 0.00 C ATOM 0 H LEU C 48 1.905 12.030 -21.325 1.00 0.00 H new ATOM 0 HA LEU C 48 3.349 14.058 -22.986 1.00 0.00 H new ATOM 0 HB2 LEU C 48 0.947 12.423 -23.847 1.00 0.00 H new ATOM 0 HB3 LEU C 48 2.212 13.116 -24.841 1.00 0.00 H new ATOM 0 HG LEU C 48 2.729 10.919 -22.784 1.00 0.00 H new ATOM 0 HD11 LEU C 48 2.795 9.374 -24.722 1.00 0.00 H new ATOM 0 HD12 LEU C 48 1.186 10.116 -24.551 1.00 0.00 H new ATOM 0 HD13 LEU C 48 2.309 10.705 -25.799 1.00 0.00 H new ATOM 0 HD21 LEU C 48 4.838 10.653 -24.063 1.00 0.00 H new ATOM 0 HD22 LEU C 48 4.353 11.985 -25.139 1.00 0.00 H new ATOM 0 HD23 LEU C 48 4.685 12.306 -23.420 1.00 0.00 H new ATOM 649 N THR C 49 0.945 14.790 -21.260 1.00 0.00 N ATOM 650 CA THR C 49 -0.123 15.785 -20.962 1.00 0.00 C ATOM 651 C THR C 49 0.518 17.137 -20.644 1.00 0.00 C ATOM 652 O THR C 49 0.460 18.062 -21.429 1.00 0.00 O ATOM 653 CB THR C 49 -0.940 15.311 -19.756 1.00 0.00 C ATOM 654 OG1 THR C 49 -1.448 14.009 -20.013 1.00 0.00 O ATOM 655 CG2 THR C 49 -2.102 16.277 -19.514 1.00 0.00 C ATOM 0 H THR C 49 1.334 14.313 -20.446 1.00 0.00 H new ATOM 0 HA THR C 49 -0.778 15.887 -21.827 1.00 0.00 H new ATOM 0 HB THR C 49 -0.303 15.284 -18.872 1.00 0.00 H new ATOM 0 HG1 THR C 49 -1.523 13.515 -19.170 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.683 15.939 -18.656 1.00 0.00 H new ATOM 0 HG22 THR C 49 -1.710 17.275 -19.317 1.00 0.00 H new ATOM 0 HG23 THR C 49 -2.741 16.306 -20.396 1.00 0.00 H new ATOM 663 N THR C 50 1.129 17.261 -19.498 1.00 0.00 N ATOM 664 CA THR C 50 1.772 18.554 -19.131 1.00 0.00 C ATOM 665 C THR C 50 3.166 18.622 -19.759 1.00 0.00 C ATOM 666 O THR C 50 3.693 19.688 -20.011 1.00 0.00 O ATOM 667 CB THR C 50 1.890 18.654 -17.609 1.00 0.00 C ATOM 668 OG1 THR C 50 2.336 19.956 -17.255 1.00 0.00 O ATOM 669 CG2 THR C 50 2.891 17.615 -17.101 1.00 0.00 C ATOM 0 H THR C 50 1.211 16.522 -18.799 1.00 0.00 H new ATOM 0 HA THR C 50 1.165 19.381 -19.500 1.00 0.00 H new ATOM 0 HB THR C 50 0.916 18.466 -17.157 1.00 0.00 H new ATOM 0 HG1 THR C 50 2.411 20.022 -16.280 1.00 0.00 H new ATOM 0 HG21 THR C 50 2.973 17.689 -16.017 1.00 0.00 H new ATOM 0 HG22 THR C 50 2.548 16.616 -17.372 1.00 0.00 H new ATOM 0 HG23 THR C 50 3.866 17.799 -17.552 1.00 0.00 H new ATOM 677 N GLY C 51 3.767 17.492 -20.014 1.00 0.00 N ATOM 678 CA GLY C 51 5.126 17.492 -20.625 1.00 0.00 C ATOM 679 C GLY C 51 6.185 17.611 -19.527 1.00 0.00 C ATOM 680 O GLY C 51 7.021 18.491 -19.550 1.00 0.00 O ATOM 0 H GLY C 51 3.376 16.569 -19.826 1.00 0.00 H new ATOM 0 HA2 GLY C 51 5.280 16.575 -21.194 1.00 0.00 H new ATOM 0 HA3 GLY C 51 5.220 18.321 -21.326 1.00 0.00 H new ATOM 684 N GLN C 52 6.155 16.731 -18.563 1.00 0.00 N ATOM 685 CA GLN C 52 7.161 16.794 -17.466 1.00 0.00 C ATOM 686 C GLN C 52 7.718 15.394 -17.204 1.00 0.00 C ATOM 687 O GLN C 52 7.078 14.399 -17.484 1.00 0.00 O ATOM 688 CB GLN C 52 6.497 17.327 -16.194 1.00 0.00 C ATOM 689 CG GLN C 52 6.616 18.852 -16.157 1.00 0.00 C ATOM 690 CD GLN C 52 6.879 19.308 -14.720 1.00 0.00 C ATOM 691 OE1 GLN C 52 7.964 19.132 -14.203 1.00 0.00 O ATOM 692 NE2 GLN C 52 5.924 19.891 -14.050 1.00 0.00 N ATOM 0 H GLN C 52 5.478 15.972 -18.488 1.00 0.00 H new ATOM 0 HA GLN C 52 7.974 17.459 -17.756 1.00 0.00 H new ATOM 0 HB2 GLN C 52 5.448 17.033 -16.168 1.00 0.00 H new ATOM 0 HB3 GLN C 52 6.972 16.893 -15.314 1.00 0.00 H new ATOM 0 HG2 GLN C 52 7.426 19.180 -16.808 1.00 0.00 H new ATOM 0 HG3 GLN C 52 5.700 19.308 -16.533 1.00 0.00 H new ATOM 0 HE21 GLN C 52 5.013 20.039 -14.484 1.00 0.00 H new ATOM 0 HE22 GLN C 52 6.088 20.199 -13.092 1.00 0.00 H new ATOM 701 N THR C 53 8.904 15.308 -16.669 1.00 0.00 N ATOM 702 CA THR C 53 9.500 13.971 -16.390 1.00 0.00 C ATOM 703 C THR C 53 9.192 13.568 -14.943 1.00 0.00 C ATOM 704 O THR C 53 8.803 14.383 -14.130 1.00 0.00 O ATOM 705 CB THR C 53 11.024 14.036 -16.639 1.00 0.00 C ATOM 706 OG1 THR C 53 11.368 13.106 -17.656 1.00 0.00 O ATOM 707 CG2 THR C 53 11.818 13.702 -15.365 1.00 0.00 C ATOM 0 H THR C 53 9.486 16.105 -16.413 1.00 0.00 H new ATOM 0 HA THR C 53 9.072 13.219 -17.052 1.00 0.00 H new ATOM 0 HB THR C 53 11.277 15.052 -16.943 1.00 0.00 H new ATOM 0 HG1 THR C 53 12.333 13.143 -17.820 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.886 13.757 -15.577 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.566 14.417 -14.581 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.566 12.695 -15.033 1.00 0.00 H new ATOM 715 N GLY C 54 9.363 12.316 -14.620 1.00 0.00 N ATOM 716 CA GLY C 54 9.081 11.867 -13.230 1.00 0.00 C ATOM 717 C GLY C 54 9.284 10.356 -13.122 1.00 0.00 C ATOM 718 O GLY C 54 8.699 9.586 -13.858 1.00 0.00 O ATOM 0 H GLY C 54 9.685 11.587 -15.257 1.00 0.00 H new ATOM 0 HA2 GLY C 54 9.740 12.382 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY C 54 8.059 12.126 -12.955 1.00 0.00 H new ATOM 722 N TYR C 55 10.116 9.924 -12.214 1.00 0.00 N ATOM 723 CA TYR C 55 10.351 8.468 -12.061 1.00 0.00 C ATOM 724 C TYR C 55 9.030 7.782 -11.716 1.00 0.00 C ATOM 725 O TYR C 55 8.375 8.125 -10.752 1.00 0.00 O ATOM 726 CB TYR C 55 11.354 8.226 -10.936 1.00 0.00 C ATOM 727 CG TYR C 55 12.452 9.289 -10.979 1.00 0.00 C ATOM 728 CD1 TYR C 55 13.402 9.275 -11.978 1.00 0.00 C ATOM 729 CD2 TYR C 55 12.519 10.264 -10.007 1.00 0.00 C ATOM 730 CE1 TYR C 55 14.407 10.223 -12.002 1.00 0.00 C ATOM 731 CE2 TYR C 55 13.522 11.211 -10.030 1.00 0.00 C ATOM 732 CZ TYR C 55 14.474 11.198 -11.029 1.00 0.00 C ATOM 733 OH TYR C 55 15.476 12.146 -11.053 1.00 0.00 O ATOM 0 H TYR C 55 10.641 10.519 -11.574 1.00 0.00 H new ATOM 0 HA TYR C 55 10.747 8.062 -12.992 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.846 8.254 -9.972 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.793 7.233 -11.036 1.00 0.00 H new ATOM 0 HD1 TYR C 55 13.360 8.518 -12.747 1.00 0.00 H new ATOM 0 HD2 TYR C 55 11.780 10.287 -9.220 1.00 0.00 H new ATOM 0 HE1 TYR C 55 15.146 10.200 -12.789 1.00 0.00 H new ATOM 0 HE2 TYR C 55 13.562 11.968 -9.261 1.00 0.00 H new ATOM 0 HH TYR C 55 15.368 12.755 -10.293 1.00 0.00 H new ATOM 743 N ILE C 56 8.630 6.817 -12.491 1.00 0.00 N ATOM 744 CA ILE C 56 7.348 6.114 -12.199 1.00 0.00 C ATOM 745 C ILE C 56 7.646 4.704 -11.676 1.00 0.00 C ATOM 746 O ILE C 56 8.555 4.051 -12.148 1.00 0.00 O ATOM 747 CB ILE C 56 6.515 6.017 -13.480 1.00 0.00 C ATOM 748 CG1 ILE C 56 7.308 5.271 -14.554 1.00 0.00 C ATOM 749 CG2 ILE C 56 6.181 7.424 -13.977 1.00 0.00 C ATOM 750 CD1 ILE C 56 6.770 3.846 -14.684 1.00 0.00 C ATOM 0 H ILE C 56 9.132 6.483 -13.313 1.00 0.00 H new ATOM 0 HA ILE C 56 6.792 6.672 -11.445 1.00 0.00 H new ATOM 0 HB ILE C 56 5.592 5.475 -13.272 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.227 5.791 -15.509 1.00 0.00 H new ATOM 0 HG13 ILE C 56 8.366 5.250 -14.292 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.588 7.356 -14.889 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.613 7.954 -13.213 1.00 0.00 H new ATOM 0 HG23 ILE C 56 7.104 7.966 -14.184 1.00 0.00 H new ATOM 0 HD11 ILE C 56 7.334 3.313 -15.449 1.00 0.00 H new ATOM 0 HD12 ILE C 56 6.874 3.329 -13.730 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.718 3.879 -14.966 1.00 0.00 H new ATOM 762 N PRO C 57 6.868 4.274 -10.712 1.00 0.00 N ATOM 763 CA PRO C 57 7.034 2.939 -10.110 1.00 0.00 C ATOM 764 C PRO C 57 6.842 1.859 -11.179 1.00 0.00 C ATOM 765 O PRO C 57 6.282 2.106 -12.225 1.00 0.00 O ATOM 766 CB PRO C 57 5.939 2.848 -9.040 1.00 0.00 C ATOM 767 CG PRO C 57 5.148 4.182 -9.061 1.00 0.00 C ATOM 768 CD PRO C 57 5.765 5.075 -10.148 1.00 0.00 C ATOM 0 HA PRO C 57 8.026 2.792 -9.684 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.276 2.007 -9.242 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.378 2.679 -8.057 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.094 3.998 -9.270 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.199 4.672 -8.089 1.00 0.00 H new ATOM 0 HD2 PRO C 57 5.032 5.332 -10.912 1.00 0.00 H new ATOM 0 HD3 PRO C 57 6.131 6.013 -9.729 1.00 0.00 H new ATOM 776 N SER C 58 7.303 0.665 -10.925 1.00 0.00 N ATOM 777 CA SER C 58 7.143 -0.423 -11.932 1.00 0.00 C ATOM 778 C SER C 58 5.826 -1.167 -11.689 1.00 0.00 C ATOM 779 O SER C 58 5.143 -1.558 -12.615 1.00 0.00 O ATOM 780 CB SER C 58 8.321 -1.397 -11.815 1.00 0.00 C ATOM 781 OG SER C 58 7.845 -2.699 -11.504 1.00 0.00 O ATOM 0 H SER C 58 7.783 0.396 -10.066 1.00 0.00 H new ATOM 0 HA SER C 58 7.125 0.007 -12.933 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.880 -1.419 -12.751 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.009 -1.058 -11.041 1.00 0.00 H new ATOM 0 HG SER C 58 8.603 -3.316 -11.433 1.00 0.00 H new ATOM 787 N ASN C 59 5.460 -1.358 -10.451 1.00 0.00 N ATOM 788 CA ASN C 59 4.188 -2.078 -10.150 1.00 0.00 C ATOM 789 C ASN C 59 2.987 -1.186 -10.484 1.00 0.00 C ATOM 790 O ASN C 59 1.850 -1.579 -10.316 1.00 0.00 O ATOM 791 CB ASN C 59 4.150 -2.441 -8.665 1.00 0.00 C ATOM 792 CG ASN C 59 4.901 -3.756 -8.443 1.00 0.00 C ATOM 793 OD1 ASN C 59 5.717 -3.859 -7.548 1.00 0.00 O ATOM 794 ND2 ASN C 59 4.659 -4.771 -9.225 1.00 0.00 N ATOM 0 H ASN C 59 5.986 -1.047 -9.634 1.00 0.00 H new ATOM 0 HA ASN C 59 4.140 -2.984 -10.754 1.00 0.00 H new ATOM 0 HB2 ASN C 59 4.604 -1.646 -8.073 1.00 0.00 H new ATOM 0 HB3 ASN C 59 3.117 -2.538 -8.329 1.00 0.00 H new ATOM 0 HD21 ASN C 59 5.154 -5.652 -9.086 1.00 0.00 H new ATOM 0 HD22 ASN C 59 3.974 -4.684 -9.976 1.00 0.00 H new ATOM 801 N TYR C 60 3.225 0.008 -10.954 1.00 0.00 N ATOM 802 CA TYR C 60 2.087 0.909 -11.294 1.00 0.00 C ATOM 803 C TYR C 60 1.931 1.001 -12.814 1.00 0.00 C ATOM 804 O TYR C 60 0.922 1.459 -13.313 1.00 0.00 O ATOM 805 CB TYR C 60 2.355 2.303 -10.724 1.00 0.00 C ATOM 806 CG TYR C 60 1.830 2.375 -9.288 1.00 0.00 C ATOM 807 CD1 TYR C 60 2.365 1.566 -8.307 1.00 0.00 C ATOM 808 CD2 TYR C 60 0.816 3.250 -8.956 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.892 1.632 -7.011 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.344 3.315 -7.661 1.00 0.00 C ATOM 811 CZ TYR C 60 0.878 2.506 -6.679 1.00 0.00 C ATOM 812 OH TYR C 60 0.406 2.572 -5.384 1.00 0.00 O ATOM 0 H TYR C 60 4.154 0.397 -11.117 1.00 0.00 H new ATOM 0 HA TYR C 60 1.170 0.507 -10.864 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.424 2.516 -10.743 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.868 3.059 -11.339 1.00 0.00 H new ATOM 0 HD1 TYR C 60 3.159 0.877 -8.554 1.00 0.00 H new ATOM 0 HD2 TYR C 60 0.389 3.888 -9.715 1.00 0.00 H new ATOM 0 HE1 TYR C 60 2.320 0.994 -6.252 1.00 0.00 H new ATOM 0 HE2 TYR C 60 -0.450 4.005 -7.414 1.00 0.00 H new ATOM 0 HH TYR C 60 0.339 1.667 -5.014 1.00 0.00 H new ATOM 822 N VAL C 61 2.917 0.569 -13.556 1.00 0.00 N ATOM 823 CA VAL C 61 2.810 0.640 -15.043 1.00 0.00 C ATOM 824 C VAL C 61 3.054 -0.741 -15.647 1.00 0.00 C ATOM 825 O VAL C 61 3.529 -1.648 -14.993 1.00 0.00 O ATOM 826 CB VAL C 61 3.847 1.629 -15.587 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.191 1.394 -14.895 1.00 0.00 C ATOM 828 CG2 VAL C 61 4.017 1.442 -17.096 1.00 0.00 C ATOM 0 H VAL C 61 3.786 0.172 -13.199 1.00 0.00 H new ATOM 0 HA VAL C 61 1.810 0.978 -15.314 1.00 0.00 H new ATOM 0 HB VAL C 61 3.502 2.644 -15.390 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.928 2.098 -15.283 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.078 1.542 -13.821 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.526 0.375 -15.088 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.756 2.151 -17.469 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.353 0.425 -17.301 1.00 0.00 H new ATOM 0 HG23 VAL C 61 3.063 1.617 -17.594 1.00 0.00 H new ATOM 838 N ALA C 62 2.728 -0.900 -16.897 1.00 0.00 N ATOM 839 CA ALA C 62 2.933 -2.217 -17.564 1.00 0.00 C ATOM 840 C ALA C 62 3.356 -1.988 -19.020 1.00 0.00 C ATOM 841 O ALA C 62 2.859 -1.089 -19.670 1.00 0.00 O ATOM 842 CB ALA C 62 1.628 -3.014 -17.531 1.00 0.00 C ATOM 0 H ALA C 62 2.327 -0.173 -17.489 1.00 0.00 H new ATOM 0 HA ALA C 62 3.711 -2.774 -17.041 1.00 0.00 H new ATOM 0 HB1 ALA C 62 1.778 -3.977 -18.019 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.326 -3.174 -16.496 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.849 -2.459 -18.055 1.00 0.00 H new ATOM 848 N PRO C 63 4.265 -2.809 -19.490 1.00 0.00 N ATOM 849 CA PRO C 63 4.769 -2.712 -20.872 1.00 0.00 C ATOM 850 C PRO C 63 3.629 -2.942 -21.868 1.00 0.00 C ATOM 851 O PRO C 63 3.397 -4.047 -22.315 1.00 0.00 O ATOM 852 CB PRO C 63 5.819 -3.825 -20.987 1.00 0.00 C ATOM 853 CG PRO C 63 5.884 -4.555 -19.620 1.00 0.00 C ATOM 854 CD PRO C 63 4.863 -3.889 -18.684 1.00 0.00 C ATOM 0 HA PRO C 63 5.188 -1.730 -21.093 1.00 0.00 H new ATOM 0 HB2 PRO C 63 5.552 -4.523 -21.781 1.00 0.00 H new ATOM 0 HB3 PRO C 63 6.792 -3.407 -21.244 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.657 -5.614 -19.741 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.887 -4.490 -19.199 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.107 -4.601 -18.352 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.344 -3.495 -17.789 1.00 0.00 H new ATOM 862 N SER C 64 2.918 -1.906 -22.220 1.00 0.00 N ATOM 863 CA SER C 64 1.796 -2.067 -23.187 1.00 0.00 C ATOM 864 C SER C 64 1.536 -0.734 -23.893 1.00 0.00 C ATOM 865 O SER C 64 1.702 0.293 -23.257 1.00 0.00 O ATOM 866 CB SER C 64 0.535 -2.500 -22.437 1.00 0.00 C ATOM 867 OG SER C 64 0.245 -1.557 -21.415 1.00 0.00 O ATOM 868 OXT SER C 64 1.176 -0.764 -25.058 1.00 0.00 O ATOM 0 H SER C 64 3.066 -0.956 -21.880 1.00 0.00 H new ATOM 0 HA SER C 64 2.059 -2.825 -23.925 1.00 0.00 H new ATOM 0 HB2 SER C 64 -0.305 -2.573 -23.128 1.00 0.00 H new ATOM 0 HB3 SER C 64 0.679 -3.490 -22.003 1.00 0.00 H new ATOM 0 HG SER C 64 -0.564 -1.833 -20.935 1.00 0.00 H new ATOM 875 N ARG R 71 13.319 -0.368 -3.888 1.00 0.00 N ATOM 876 CA ARG R 71 13.270 0.590 -2.748 1.00 0.00 C ATOM 877 C ARG R 71 11.884 0.543 -2.102 1.00 0.00 C ATOM 878 O ARG R 71 11.320 1.558 -1.743 1.00 0.00 O ATOM 879 CB ARG R 71 13.548 2.006 -3.259 1.00 0.00 C ATOM 880 CG ARG R 71 12.424 2.436 -4.200 1.00 0.00 C ATOM 881 CD ARG R 71 12.006 3.873 -3.877 1.00 0.00 C ATOM 882 NE ARG R 71 12.168 4.722 -5.092 1.00 0.00 N ATOM 883 CZ ARG R 71 11.553 5.873 -5.175 1.00 0.00 C ATOM 884 NH1 ARG R 71 10.793 6.284 -4.195 1.00 0.00 N ATOM 885 NH2 ARG R 71 11.699 6.614 -6.240 1.00 0.00 N ATOM 0 HA ARG R 71 14.024 0.316 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG R 71 13.621 2.699 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG R 71 14.505 2.035 -3.780 1.00 0.00 H new ATOM 0 HG2 ARG R 71 12.757 2.367 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.571 1.766 -4.094 1.00 0.00 H new ATOM 0 HD2 ARG R 71 10.969 3.895 -3.540 1.00 0.00 H new ATOM 0 HD3 ARG R 71 12.614 4.266 -3.062 1.00 0.00 H new ATOM 0 HE ARG R 71 12.760 4.404 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG R 71 10.678 5.707 -3.362 1.00 0.00 H new ATOM 0 HH12 ARG R 71 10.315 7.182 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG R 71 12.292 6.295 -7.006 1.00 0.00 H new ATOM 0 HH22 ARG R 71 11.220 7.512 -6.306 1.00 0.00 H new ATOM 901 N ALA R 72 11.329 -0.628 -1.953 1.00 0.00 N ATOM 902 CA ALA R 72 9.979 -0.740 -1.332 1.00 0.00 C ATOM 903 C ALA R 72 8.939 -0.084 -2.243 1.00 0.00 C ATOM 904 O ALA R 72 8.595 1.070 -2.078 1.00 0.00 O ATOM 905 CB ALA R 72 9.985 -0.035 0.027 1.00 0.00 C ATOM 0 H ALA R 72 11.752 -1.512 -2.234 1.00 0.00 H new ATOM 0 HA ALA R 72 9.728 -1.792 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.998 -0.116 0.483 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.724 -0.503 0.677 1.00 0.00 H new ATOM 0 HB3 ALA R 72 10.237 1.017 -0.110 1.00 0.00 H new ATOM 911 N LEU R 73 8.434 -0.810 -3.203 1.00 0.00 N ATOM 912 CA LEU R 73 7.417 -0.227 -4.124 1.00 0.00 C ATOM 913 C LEU R 73 6.167 0.151 -3.326 1.00 0.00 C ATOM 914 O LEU R 73 5.943 -0.361 -2.246 1.00 0.00 O ATOM 915 CB LEU R 73 7.047 -1.256 -5.195 1.00 0.00 C ATOM 916 CG LEU R 73 8.140 -1.292 -6.267 1.00 0.00 C ATOM 917 CD1 LEU R 73 7.736 -2.266 -7.376 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.320 0.108 -6.857 1.00 0.00 C ATOM 0 H LEU R 73 8.682 -1.782 -3.389 1.00 0.00 H new ATOM 0 HA LEU R 73 7.827 0.662 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU R 73 6.933 -2.242 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.089 -0.999 -5.646 1.00 0.00 H new ATOM 0 HG LEU R 73 9.078 -1.621 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU R 73 8.514 -2.292 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU R 73 7.607 -3.263 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU R 73 6.798 -1.938 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.098 0.084 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU R 73 7.382 0.437 -7.305 1.00 0.00 H new ATOM 0 HD23 LEU R 73 8.608 0.801 -6.067 1.00 0.00 H new ATOM 930 N PRO R 74 5.386 1.040 -3.886 1.00 0.00 N ATOM 931 CA PRO R 74 4.145 1.510 -3.247 1.00 0.00 C ATOM 932 C PRO R 74 3.135 0.363 -3.137 1.00 0.00 C ATOM 933 O PRO R 74 3.172 -0.570 -3.916 1.00 0.00 O ATOM 934 CB PRO R 74 3.615 2.602 -4.179 1.00 0.00 C ATOM 935 CG PRO R 74 4.545 2.657 -5.420 1.00 0.00 C ATOM 936 CD PRO R 74 5.680 1.646 -5.197 1.00 0.00 C ATOM 0 HA PRO R 74 4.315 1.879 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.590 2.384 -4.479 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.600 3.565 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO R 74 3.989 2.415 -6.326 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.948 3.661 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.701 0.894 -5.986 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.653 2.136 -5.198 1.00 0.00 H new ATOM 944 N PRO R 75 2.260 0.467 -2.169 1.00 0.00 N ATOM 945 CA PRO R 75 1.225 -0.554 -1.932 1.00 0.00 C ATOM 946 C PRO R 75 0.314 -0.671 -3.158 1.00 0.00 C ATOM 947 O PRO R 75 0.007 0.307 -3.809 1.00 0.00 O ATOM 948 CB PRO R 75 0.438 -0.045 -0.718 1.00 0.00 C ATOM 949 CG PRO R 75 1.066 1.305 -0.282 1.00 0.00 C ATOM 950 CD PRO R 75 2.234 1.608 -1.234 1.00 0.00 C ATOM 0 HA PRO R 75 1.647 -1.543 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO R 75 -0.614 0.087 -0.972 1.00 0.00 H new ATOM 0 HB3 PRO R 75 0.481 -0.768 0.097 1.00 0.00 H new ATOM 0 HG2 PRO R 75 0.324 2.102 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO R 75 1.418 1.248 0.748 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.081 2.549 -1.762 1.00 0.00 H new ATOM 0 HD3 PRO R 75 3.175 1.697 -0.691 1.00 0.00 H new ATOM 958 N LEU R 76 -0.120 -1.860 -3.476 1.00 0.00 N ATOM 959 CA LEU R 76 -1.009 -2.036 -4.659 1.00 0.00 C ATOM 960 C LEU R 76 -2.460 -1.749 -4.258 1.00 0.00 C ATOM 961 O LEU R 76 -2.804 -1.817 -3.094 1.00 0.00 O ATOM 962 CB LEU R 76 -0.895 -3.474 -5.169 1.00 0.00 C ATOM 963 CG LEU R 76 0.472 -3.673 -5.826 1.00 0.00 C ATOM 964 CD1 LEU R 76 0.667 -5.153 -6.159 1.00 0.00 C ATOM 965 CD2 LEU R 76 0.544 -2.847 -7.112 1.00 0.00 C ATOM 0 H LEU R 76 0.102 -2.716 -2.968 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.708 -1.344 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU R 76 -1.020 -4.175 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -1.689 -3.681 -5.886 1.00 0.00 H new ATOM 0 HG LEU R 76 1.255 -3.349 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU R 76 1.641 -5.295 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU R 76 0.615 -5.742 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU R 76 -0.116 -5.478 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU R 76 1.518 -2.988 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -0.239 -3.171 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU R 76 0.405 -1.792 -6.875 1.00 0.00 H new