USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=19 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 148:sc= 0.964 USER MOD Set 1.2: C 25 SER OG : rot -72:sc= 0.567 USER MOD Single : C 9 THR OG1 : rot 27:sc= 0.0083 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 180:sc= 0 USER MOD Single : C 20 THR OG1 : rot 180:sc= 0 USER MOD Single : C 22 THR OG1 : rot 180:sc= 0.163 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ -148:sc= -0.278 (180deg=-1.36!) USER MOD Single : C 33 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.6!) USER MOD Single : C 36 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.77) USER MOD Single : C 37 ASN :FLIP amide:sc= -0.0163 F(o=-0.81,f=-0.016) USER MOD Single : C 38 THR OG1 : rot -1:sc= 1.01 USER MOD Single : C 46 HIS :FLIP no HE2:sc= -12.1! C(o=-13!,f=-12!) USER MOD Single : C 47 SER OG : rot -160:sc=5.25e-05 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= -2.85! C(o=-2.9!,f=-3.7!) 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 170:sc= -0.312 USER MOD Single : C 59 ASN : amide:sc= -6.66! C(o=-6.7!,f=-11!) USER MOD Single : C 60 TYR OH : rot 43:sc= -0.849! USER MOD Single : C 64 SER OG : rot -68:sc= 0.73 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 6.541 3.475 -25.039 1.00 0.00 N ATOM 2 CA THR C 9 5.338 4.118 -24.442 1.00 0.00 C ATOM 3 C THR C 9 4.534 3.074 -23.663 1.00 0.00 C ATOM 4 O THR C 9 3.846 2.253 -24.235 1.00 0.00 O ATOM 5 CB THR C 9 4.468 4.706 -25.557 1.00 0.00 C ATOM 6 OG1 THR C 9 5.245 5.601 -26.339 1.00 0.00 O ATOM 7 CG2 THR C 9 3.285 5.457 -24.942 1.00 0.00 C ATOM 0 HA THR C 9 5.649 4.914 -23.766 1.00 0.00 H new ATOM 0 HB THR C 9 4.094 3.901 -26.190 1.00 0.00 H new ATOM 0 HG1 THR C 9 6.188 5.339 -26.296 1.00 0.00 H new ATOM 0 HG21 THR C 9 2.667 5.875 -25.736 1.00 0.00 H new ATOM 0 HG22 THR C 9 2.689 4.769 -24.342 1.00 0.00 H new ATOM 0 HG23 THR C 9 3.655 6.263 -24.308 1.00 0.00 H new ATOM 14 N PHE C 10 4.617 3.098 -22.360 1.00 0.00 N ATOM 15 CA PHE C 10 3.858 2.105 -21.548 1.00 0.00 C ATOM 16 C PHE C 10 2.516 2.708 -21.125 1.00 0.00 C ATOM 17 O PHE C 10 2.142 3.780 -21.559 1.00 0.00 O ATOM 18 CB PHE C 10 4.664 1.741 -20.300 1.00 0.00 C ATOM 19 CG PHE C 10 5.695 0.667 -20.652 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.156 0.537 -21.949 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.175 -0.190 -19.678 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.083 -0.434 -22.268 1.00 0.00 C ATOM 23 CE2 PHE C 10 7.102 -1.161 -19.998 1.00 0.00 C ATOM 24 CZ PHE C 10 7.556 -1.283 -21.293 1.00 0.00 C ATOM 0 H PHE C 10 5.177 3.761 -21.824 1.00 0.00 H new ATOM 0 HA PHE C 10 3.684 1.209 -22.144 1.00 0.00 H new ATOM 0 HB2 PHE C 10 5.165 2.626 -19.907 1.00 0.00 H new ATOM 0 HB3 PHE C 10 3.998 1.378 -19.517 1.00 0.00 H new ATOM 0 HD1 PHE C 10 5.788 1.200 -22.718 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.822 -0.099 -18.661 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.438 -0.528 -23.284 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.472 -1.826 -19.232 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.281 -2.043 -21.543 1.00 0.00 H new ATOM 34 N VAL C 11 1.792 2.027 -20.279 1.00 0.00 N ATOM 35 CA VAL C 11 0.474 2.560 -19.828 1.00 0.00 C ATOM 36 C VAL C 11 0.379 2.444 -18.305 1.00 0.00 C ATOM 37 O VAL C 11 0.950 1.556 -17.704 1.00 0.00 O ATOM 38 CB VAL C 11 -0.662 1.754 -20.472 1.00 0.00 C ATOM 39 CG1 VAL C 11 -1.828 2.692 -20.798 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.169 1.094 -21.763 1.00 0.00 C ATOM 0 H VAL C 11 2.055 1.126 -19.881 1.00 0.00 H new ATOM 0 HA VAL C 11 0.385 3.605 -20.126 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.991 0.982 -19.777 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -2.637 2.122 -21.256 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.187 3.159 -19.881 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -1.491 3.464 -21.490 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -0.982 0.524 -22.213 1.00 0.00 H new ATOM 0 HG22 VAL C 11 0.165 1.863 -22.460 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.661 0.425 -21.536 1.00 0.00 H new ATOM 50 N ALA C 12 -0.340 3.333 -17.675 1.00 0.00 N ATOM 51 CA ALA C 12 -0.469 3.270 -16.192 1.00 0.00 C ATOM 52 C ALA C 12 -1.464 2.173 -15.809 1.00 0.00 C ATOM 53 O ALA C 12 -2.660 2.327 -15.955 1.00 0.00 O ATOM 54 CB ALA C 12 -0.966 4.617 -15.664 1.00 0.00 C ATOM 0 H ALA C 12 -0.843 4.099 -18.123 1.00 0.00 H new ATOM 0 HA ALA C 12 0.504 3.045 -15.754 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -1.060 4.570 -14.579 1.00 0.00 H new ATOM 0 HB2 ALA C 12 -0.255 5.398 -15.933 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.938 4.844 -16.103 1.00 0.00 H new ATOM 60 N LEU C 13 -0.979 1.066 -15.319 1.00 0.00 N ATOM 61 CA LEU C 13 -1.893 -0.042 -14.925 1.00 0.00 C ATOM 62 C LEU C 13 -2.631 0.336 -13.640 1.00 0.00 C ATOM 63 O LEU C 13 -3.811 0.086 -13.494 1.00 0.00 O ATOM 64 CB LEU C 13 -1.079 -1.314 -14.686 1.00 0.00 C ATOM 65 CG LEU C 13 -0.873 -2.047 -16.012 1.00 0.00 C ATOM 66 CD1 LEU C 13 -0.067 -3.323 -15.765 1.00 0.00 C ATOM 67 CD2 LEU C 13 -2.234 -2.410 -16.608 1.00 0.00 C ATOM 0 H LEU C 13 0.014 0.881 -15.174 1.00 0.00 H new ATOM 0 HA LEU C 13 -2.616 -0.215 -15.722 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -0.115 -1.063 -14.244 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -1.596 -1.961 -13.977 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.333 -1.404 -16.706 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.082 -3.848 -16.709 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.902 -3.064 -15.337 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -0.609 -3.967 -15.073 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -2.089 -2.933 -17.554 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.774 -3.056 -15.915 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.810 -1.501 -16.780 1.00 0.00 H new ATOM 79 N TYR C 14 -1.946 0.935 -12.703 1.00 0.00 N ATOM 80 CA TYR C 14 -2.615 1.325 -11.430 1.00 0.00 C ATOM 81 C TYR C 14 -2.395 2.815 -11.161 1.00 0.00 C ATOM 82 O TYR C 14 -1.425 3.399 -11.602 1.00 0.00 O ATOM 83 CB TYR C 14 -2.036 0.505 -10.280 1.00 0.00 C ATOM 84 CG TYR C 14 -2.449 -0.954 -10.459 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.056 -1.651 -11.579 1.00 0.00 C ATOM 86 CD2 TYR C 14 -3.231 -1.585 -9.517 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.437 -2.964 -11.757 1.00 0.00 C ATOM 88 CE2 TYR C 14 -3.614 -2.899 -9.692 1.00 0.00 C ATOM 89 CZ TYR C 14 -3.220 -3.599 -10.815 1.00 0.00 C ATOM 90 OH TYR C 14 -3.601 -4.914 -10.992 1.00 0.00 O ATOM 0 H TYR C 14 -0.955 1.170 -12.764 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.685 1.132 -11.512 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -0.949 0.591 -10.265 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -2.399 0.885 -9.325 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -1.444 -1.165 -12.325 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -3.547 -1.047 -8.635 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -2.120 -3.499 -12.640 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -4.226 -3.383 -8.946 1.00 0.00 H new ATOM 0 HH TYR C 14 -4.149 -5.201 -10.232 1.00 0.00 H new ATOM 100 N ASP C 15 -3.288 3.435 -10.440 1.00 0.00 N ATOM 101 CA ASP C 15 -3.129 4.885 -10.144 1.00 0.00 C ATOM 102 C ASP C 15 -1.922 5.086 -9.225 1.00 0.00 C ATOM 103 O ASP C 15 -1.780 4.421 -8.219 1.00 0.00 O ATOM 104 CB ASP C 15 -4.389 5.410 -9.451 1.00 0.00 C ATOM 105 CG ASP C 15 -5.611 5.125 -10.326 1.00 0.00 C ATOM 106 OD1 ASP C 15 -5.458 4.423 -11.312 1.00 0.00 O ATOM 107 OD2 ASP C 15 -6.679 5.615 -9.996 1.00 0.00 O ATOM 0 H ASP C 15 -4.121 2.999 -10.043 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.975 5.430 -11.075 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.507 4.933 -8.478 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.299 6.481 -9.272 1.00 0.00 H new ATOM 112 N TYR C 16 -1.052 5.997 -9.564 1.00 0.00 N ATOM 113 CA TYR C 16 0.144 6.237 -8.708 1.00 0.00 C ATOM 114 C TYR C 16 0.056 7.632 -8.089 1.00 0.00 C ATOM 115 O TYR C 16 0.281 8.628 -8.747 1.00 0.00 O ATOM 116 CB TYR C 16 1.411 6.138 -9.559 1.00 0.00 C ATOM 117 CG TYR C 16 2.623 6.545 -8.719 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.723 6.156 -7.398 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.634 7.306 -9.270 1.00 0.00 C ATOM 120 CE1 TYR C 16 3.817 6.523 -6.640 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.727 7.674 -8.511 1.00 0.00 C ATOM 122 CZ TYR C 16 4.827 7.285 -7.191 1.00 0.00 C ATOM 123 OH TYR C 16 5.921 7.652 -6.433 1.00 0.00 O ATOM 0 H TYR C 16 -1.117 6.585 -10.395 1.00 0.00 H new ATOM 0 HA TYR C 16 0.179 5.488 -7.917 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.536 5.120 -9.927 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.327 6.785 -10.432 1.00 0.00 H new ATOM 0 HD1 TYR C 16 1.939 5.560 -6.954 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.570 7.616 -10.303 1.00 0.00 H new ATOM 0 HE1 TYR C 16 3.883 6.211 -5.608 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.510 8.271 -8.954 1.00 0.00 H new ATOM 0 HH TYR C 16 6.534 8.185 -6.981 1.00 0.00 H new ATOM 133 N GLU C 17 -0.277 7.711 -6.830 1.00 0.00 N ATOM 134 CA GLU C 17 -0.380 9.035 -6.167 1.00 0.00 C ATOM 135 C GLU C 17 1.006 9.472 -5.686 1.00 0.00 C ATOM 136 O GLU C 17 1.249 9.607 -4.503 1.00 0.00 O ATOM 137 CB GLU C 17 -1.324 8.920 -4.971 1.00 0.00 C ATOM 138 CG GLU C 17 -2.506 8.021 -5.339 1.00 0.00 C ATOM 139 CD GLU C 17 -3.183 8.561 -6.601 1.00 0.00 C ATOM 140 OE1 GLU C 17 -3.296 9.770 -6.717 1.00 0.00 O ATOM 141 OE2 GLU C 17 -3.575 7.756 -7.430 1.00 0.00 O ATOM 0 H GLU C 17 -0.482 6.910 -6.232 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.766 9.773 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -0.793 8.508 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -1.681 9.908 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -2.162 7.000 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -3.220 7.986 -4.516 1.00 0.00 H new ATOM 148 N SER C 18 1.917 9.695 -6.594 1.00 0.00 N ATOM 149 CA SER C 18 3.285 10.123 -6.188 1.00 0.00 C ATOM 150 C SER C 18 3.184 11.235 -5.144 1.00 0.00 C ATOM 151 O SER C 18 2.273 12.039 -5.164 1.00 0.00 O ATOM 152 CB SER C 18 4.042 10.640 -7.413 1.00 0.00 C ATOM 153 OG SER C 18 3.940 12.056 -7.469 1.00 0.00 O ATOM 0 H SER C 18 1.773 9.599 -7.599 1.00 0.00 H new ATOM 0 HA SER C 18 3.819 9.274 -5.762 1.00 0.00 H new ATOM 0 HB2 SER C 18 5.089 10.342 -7.359 1.00 0.00 H new ATOM 0 HB3 SER C 18 3.631 10.199 -8.321 1.00 0.00 H new ATOM 0 HG SER C 18 4.758 12.428 -7.860 1.00 0.00 H new ATOM 159 N ARG C 19 4.113 11.288 -4.229 1.00 0.00 N ATOM 160 CA ARG C 19 4.072 12.347 -3.183 1.00 0.00 C ATOM 161 C ARG C 19 5.424 13.061 -3.129 1.00 0.00 C ATOM 162 O ARG C 19 5.686 13.846 -2.239 1.00 0.00 O ATOM 163 CB ARG C 19 3.779 11.710 -1.824 1.00 0.00 C ATOM 164 CG ARG C 19 2.421 12.198 -1.315 1.00 0.00 C ATOM 165 CD ARG C 19 1.313 11.326 -1.908 1.00 0.00 C ATOM 166 NE ARG C 19 -0.015 11.914 -1.576 1.00 0.00 N ATOM 167 CZ ARG C 19 -0.524 11.752 -0.384 1.00 0.00 C ATOM 168 NH1 ARG C 19 0.127 11.075 0.522 1.00 0.00 N ATOM 169 NH2 ARG C 19 -1.688 12.268 -0.099 1.00 0.00 N ATOM 0 H ARG C 19 4.900 10.642 -4.161 1.00 0.00 H new ATOM 0 HA ARG C 19 3.289 13.066 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG C 19 3.777 10.624 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG C 19 4.562 11.971 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG C 19 2.391 12.153 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG C 19 2.268 13.240 -1.596 1.00 0.00 H new ATOM 0 HD2 ARG C 19 1.431 11.255 -2.989 1.00 0.00 H new ATOM 0 HD3 ARG C 19 1.383 10.313 -1.513 1.00 0.00 H new ATOM 0 HE ARG C 19 -0.528 12.444 -2.281 1.00 0.00 H new ATOM 0 HH11 ARG C 19 1.037 10.670 0.300 1.00 0.00 H new ATOM 0 HH12 ARG C 19 -0.274 10.951 1.452 1.00 0.00 H new ATOM 0 HH21 ARG C 19 -2.199 12.797 -0.806 1.00 0.00 H new ATOM 0 HH22 ARG C 19 -2.087 12.143 0.831 1.00 0.00 H new ATOM 183 N THR C 20 6.283 12.797 -4.073 1.00 0.00 N ATOM 184 CA THR C 20 7.616 13.461 -4.075 1.00 0.00 C ATOM 185 C THR C 20 7.663 14.502 -5.195 1.00 0.00 C ATOM 186 O THR C 20 7.018 14.362 -6.214 1.00 0.00 O ATOM 187 CB THR C 20 8.705 12.411 -4.303 1.00 0.00 C ATOM 188 OG1 THR C 20 8.371 11.224 -3.597 1.00 0.00 O ATOM 189 CG2 THR C 20 10.046 12.945 -3.799 1.00 0.00 C ATOM 0 H THR C 20 6.120 12.150 -4.844 1.00 0.00 H new ATOM 0 HA THR C 20 7.782 13.953 -3.117 1.00 0.00 H new ATOM 0 HB THR C 20 8.781 12.192 -5.368 1.00 0.00 H new ATOM 0 HG1 THR C 20 9.067 10.550 -3.743 1.00 0.00 H new ATOM 0 HG21 THR C 20 10.821 12.196 -3.962 1.00 0.00 H new ATOM 0 HG22 THR C 20 10.302 13.855 -4.341 1.00 0.00 H new ATOM 0 HG23 THR C 20 9.973 13.165 -2.734 1.00 0.00 H new ATOM 197 N GLU C 21 8.423 15.547 -5.014 1.00 0.00 N ATOM 198 CA GLU C 21 8.513 16.595 -6.064 1.00 0.00 C ATOM 199 C GLU C 21 9.174 16.015 -7.317 1.00 0.00 C ATOM 200 O GLU C 21 9.076 16.572 -8.393 1.00 0.00 O ATOM 201 CB GLU C 21 9.348 17.760 -5.533 1.00 0.00 C ATOM 202 CG GLU C 21 10.821 17.350 -5.477 1.00 0.00 C ATOM 203 CD GLU C 21 11.605 18.116 -6.546 1.00 0.00 C ATOM 204 OE1 GLU C 21 11.153 18.144 -7.679 1.00 0.00 O ATOM 205 OE2 GLU C 21 12.642 18.663 -6.213 1.00 0.00 O ATOM 0 H GLU C 21 8.986 15.719 -4.181 1.00 0.00 H new ATOM 0 HA GLU C 21 7.513 16.946 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU C 21 9.226 18.631 -6.177 1.00 0.00 H new ATOM 0 HB3 GLU C 21 9.001 18.047 -4.540 1.00 0.00 H new ATOM 0 HG2 GLU C 21 11.231 17.561 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU C 21 10.917 16.276 -5.640 1.00 0.00 H new ATOM 212 N THR C 22 9.844 14.903 -7.190 1.00 0.00 N ATOM 213 CA THR C 22 10.507 14.294 -8.379 1.00 0.00 C ATOM 214 C THR C 22 9.528 13.354 -9.085 1.00 0.00 C ATOM 215 O THR C 22 8.880 13.723 -10.044 1.00 0.00 O ATOM 216 CB THR C 22 11.740 13.504 -7.932 1.00 0.00 C ATOM 217 OG1 THR C 22 11.482 12.893 -6.676 1.00 0.00 O ATOM 218 CG2 THR C 22 12.936 14.449 -7.807 1.00 0.00 C ATOM 0 H THR C 22 9.961 14.390 -6.316 1.00 0.00 H new ATOM 0 HA THR C 22 10.812 15.084 -9.066 1.00 0.00 H new ATOM 0 HB THR C 22 11.964 12.734 -8.670 1.00 0.00 H new ATOM 0 HG1 THR C 22 12.271 12.386 -6.391 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.813 13.886 -7.489 1.00 0.00 H new ATOM 0 HG22 THR C 22 13.134 14.915 -8.772 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.714 15.221 -7.071 1.00 0.00 H new ATOM 226 N ASP C 23 9.417 12.140 -8.619 1.00 0.00 N ATOM 227 CA ASP C 23 8.479 11.177 -9.267 1.00 0.00 C ATOM 228 C ASP C 23 7.148 11.877 -9.545 1.00 0.00 C ATOM 229 O ASP C 23 6.603 12.556 -8.697 1.00 0.00 O ATOM 230 CB ASP C 23 8.233 9.983 -8.341 1.00 0.00 C ATOM 231 CG ASP C 23 9.537 9.583 -7.649 1.00 0.00 C ATOM 232 OD1 ASP C 23 9.840 10.164 -6.619 1.00 0.00 O ATOM 233 OD2 ASP C 23 10.211 8.703 -8.158 1.00 0.00 O ATOM 0 H ASP C 23 9.933 11.773 -7.820 1.00 0.00 H new ATOM 0 HA ASP C 23 8.917 10.825 -10.201 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.480 10.239 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.842 9.142 -8.914 1.00 0.00 H new ATOM 238 N LEU C 24 6.620 11.717 -10.725 1.00 0.00 N ATOM 239 CA LEU C 24 5.325 12.372 -11.057 1.00 0.00 C ATOM 240 C LEU C 24 4.171 11.436 -10.703 1.00 0.00 C ATOM 241 O LEU C 24 4.360 10.259 -10.468 1.00 0.00 O ATOM 242 CB LEU C 24 5.285 12.690 -12.550 1.00 0.00 C ATOM 243 CG LEU C 24 5.459 14.195 -12.757 1.00 0.00 C ATOM 244 CD1 LEU C 24 6.632 14.698 -11.913 1.00 0.00 C ATOM 245 CD2 LEU C 24 5.738 14.472 -14.233 1.00 0.00 C ATOM 0 H LEU C 24 7.030 11.160 -11.475 1.00 0.00 H new ATOM 0 HA LEU C 24 5.229 13.295 -10.485 1.00 0.00 H new ATOM 0 HB2 LEU C 24 6.075 12.147 -13.069 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.338 12.361 -12.977 1.00 0.00 H new ATOM 0 HG LEU C 24 4.549 14.712 -12.453 1.00 0.00 H new ATOM 0 HD11 LEU C 24 6.754 15.771 -12.062 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.434 14.498 -10.860 1.00 0.00 H new ATOM 0 HD13 LEU C 24 7.544 14.184 -12.215 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.863 15.544 -14.385 1.00 0.00 H new ATOM 0 HD22 LEU C 24 6.649 13.955 -14.534 1.00 0.00 H new ATOM 0 HD23 LEU C 24 4.902 14.115 -14.835 1.00 0.00 H new ATOM 257 N SER C 25 2.973 11.951 -10.664 1.00 0.00 N ATOM 258 CA SER C 25 1.803 11.097 -10.328 1.00 0.00 C ATOM 259 C SER C 25 0.947 10.893 -11.579 1.00 0.00 C ATOM 260 O SER C 25 0.851 11.759 -12.425 1.00 0.00 O ATOM 261 CB SER C 25 0.972 11.791 -9.250 1.00 0.00 C ATOM 262 OG SER C 25 1.571 13.035 -8.917 1.00 0.00 O ATOM 0 H SER C 25 2.755 12.930 -10.851 1.00 0.00 H new ATOM 0 HA SER C 25 2.145 10.129 -9.962 1.00 0.00 H new ATOM 0 HB2 SER C 25 -0.046 11.949 -9.606 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.905 11.159 -8.364 1.00 0.00 H new ATOM 0 HG SER C 25 2.389 12.877 -8.401 1.00 0.00 H new ATOM 268 N PHE C 26 0.323 9.753 -11.706 1.00 0.00 N ATOM 269 CA PHE C 26 -0.524 9.502 -12.907 1.00 0.00 C ATOM 270 C PHE C 26 -1.723 8.636 -12.519 1.00 0.00 C ATOM 271 O PHE C 26 -1.898 8.275 -11.371 1.00 0.00 O ATOM 272 CB PHE C 26 0.296 8.776 -13.975 1.00 0.00 C ATOM 273 CG PHE C 26 0.973 7.553 -13.356 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.311 6.342 -13.304 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.253 7.643 -12.841 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.918 5.236 -12.744 1.00 0.00 C ATOM 277 CE2 PHE C 26 2.861 6.538 -12.282 1.00 0.00 C ATOM 278 CZ PHE C 26 2.193 5.335 -12.234 1.00 0.00 C ATOM 0 H PHE C 26 0.363 8.988 -11.033 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.874 10.456 -13.302 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.350 8.470 -14.798 1.00 0.00 H new ATOM 0 HB3 PHE C 26 1.046 9.448 -14.392 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.689 6.260 -13.704 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.780 8.585 -12.877 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.393 4.293 -12.706 1.00 0.00 H new ATOM 0 HE2 PHE C 26 3.861 6.617 -11.882 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.669 4.470 -11.797 1.00 0.00 H new ATOM 288 N LYS C 27 -2.551 8.302 -13.469 1.00 0.00 N ATOM 289 CA LYS C 27 -3.742 7.460 -13.165 1.00 0.00 C ATOM 290 C LYS C 27 -3.830 6.323 -14.185 1.00 0.00 C ATOM 291 O LYS C 27 -3.097 6.289 -15.153 1.00 0.00 O ATOM 292 CB LYS C 27 -5.020 8.307 -13.239 1.00 0.00 C ATOM 293 CG LYS C 27 -4.753 9.607 -14.003 1.00 0.00 C ATOM 294 CD LYS C 27 -6.061 10.120 -14.610 1.00 0.00 C ATOM 295 CE LYS C 27 -5.765 10.826 -15.935 1.00 0.00 C ATOM 296 NZ LYS C 27 -5.458 12.260 -15.674 1.00 0.00 N ATOM 0 H LYS C 27 -2.454 8.577 -14.446 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.643 7.051 -12.160 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -5.810 7.742 -13.734 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.372 8.534 -12.233 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -4.333 10.356 -13.332 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -4.018 9.435 -14.789 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -6.749 9.290 -14.773 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -6.550 10.808 -13.920 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -4.923 10.347 -16.434 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -6.622 10.742 -16.604 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -5.257 12.741 -16.574 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -6.274 12.712 -15.215 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -4.628 12.330 -15.051 1.00 0.00 H new ATOM 310 N LYS C 28 -4.722 5.394 -13.978 1.00 0.00 N ATOM 311 CA LYS C 28 -4.853 4.263 -14.938 1.00 0.00 C ATOM 312 C LYS C 28 -5.294 4.801 -16.300 1.00 0.00 C ATOM 313 O LYS C 28 -6.110 5.698 -16.389 1.00 0.00 O ATOM 314 CB LYS C 28 -5.897 3.270 -14.421 1.00 0.00 C ATOM 315 CG LYS C 28 -6.216 2.251 -15.516 1.00 0.00 C ATOM 316 CD LYS C 28 -6.997 1.081 -14.914 1.00 0.00 C ATOM 317 CE LYS C 28 -7.640 0.266 -16.039 1.00 0.00 C ATOM 318 NZ LYS C 28 -8.550 1.142 -16.829 1.00 0.00 N ATOM 0 H LYS C 28 -5.365 5.369 -13.187 1.00 0.00 H new ATOM 0 HA LYS C 28 -3.892 3.759 -15.038 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -5.522 2.761 -13.533 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -6.803 3.799 -14.126 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -6.799 2.722 -16.307 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.294 1.890 -15.971 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -6.331 0.449 -14.327 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -7.764 1.453 -14.235 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -6.869 -0.153 -16.686 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -8.197 -0.573 -15.622 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -9.347 0.579 -17.190 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -8.912 1.904 -16.221 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -8.028 1.555 -17.628 1.00 0.00 H new ATOM 332 N GLY C 29 -4.762 4.262 -17.363 1.00 0.00 N ATOM 333 CA GLY C 29 -5.152 4.744 -18.718 1.00 0.00 C ATOM 334 C GLY C 29 -4.303 5.961 -19.091 1.00 0.00 C ATOM 335 O GLY C 29 -4.585 6.658 -20.046 1.00 0.00 O ATOM 0 H GLY C 29 -4.074 3.509 -17.351 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.012 3.951 -19.452 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.210 5.007 -18.731 1.00 0.00 H new ATOM 339 N GLU C 30 -3.267 6.226 -18.344 1.00 0.00 N ATOM 340 CA GLU C 30 -2.402 7.399 -18.657 1.00 0.00 C ATOM 341 C GLU C 30 -1.281 6.969 -19.605 1.00 0.00 C ATOM 342 O GLU C 30 -0.577 6.010 -19.355 1.00 0.00 O ATOM 343 CB GLU C 30 -1.794 7.945 -17.365 1.00 0.00 C ATOM 344 CG GLU C 30 -0.724 8.985 -17.706 1.00 0.00 C ATOM 345 CD GLU C 30 -0.728 10.089 -16.645 1.00 0.00 C ATOM 346 OE1 GLU C 30 -1.787 10.358 -16.104 1.00 0.00 O ATOM 347 OE2 GLU C 30 0.328 10.644 -16.393 1.00 0.00 O ATOM 0 H GLU C 30 -2.982 5.681 -17.530 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.002 8.175 -19.132 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -2.571 8.395 -16.747 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.356 7.133 -16.785 1.00 0.00 H new ATOM 0 HG2 GLU C 30 0.257 8.512 -17.750 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -0.917 9.411 -18.690 1.00 0.00 H new ATOM 354 N ARG C 31 -1.110 7.668 -20.693 1.00 0.00 N ATOM 355 CA ARG C 31 -0.034 7.300 -21.655 1.00 0.00 C ATOM 356 C ARG C 31 1.302 7.857 -21.159 1.00 0.00 C ATOM 357 O ARG C 31 1.444 9.041 -20.930 1.00 0.00 O ATOM 358 CB ARG C 31 -0.353 7.891 -23.030 1.00 0.00 C ATOM 359 CG ARG C 31 -1.766 7.480 -23.449 1.00 0.00 C ATOM 360 CD ARG C 31 -2.001 7.873 -24.909 1.00 0.00 C ATOM 361 NE ARG C 31 -2.527 9.267 -24.970 1.00 0.00 N ATOM 362 CZ ARG C 31 -3.782 9.506 -24.699 1.00 0.00 C ATOM 363 NH1 ARG C 31 -4.582 8.527 -24.372 1.00 0.00 N ATOM 364 NH2 ARG C 31 -4.237 10.728 -24.754 1.00 0.00 N ATOM 0 H ARG C 31 -1.670 8.479 -20.957 1.00 0.00 H new ATOM 0 HA ARG C 31 0.029 6.215 -21.733 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -0.274 8.978 -22.997 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.372 7.541 -23.765 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -1.895 6.405 -23.326 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.502 7.965 -22.808 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -1.070 7.799 -25.471 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -2.708 7.185 -25.373 1.00 0.00 H new ATOM 0 HE ARG C 31 -1.906 10.035 -25.224 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -4.227 7.572 -24.328 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -5.562 8.718 -24.161 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.613 11.494 -25.008 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -5.217 10.917 -24.543 1.00 0.00 H new ATOM 378 N LEU C 32 2.283 7.013 -20.992 1.00 0.00 N ATOM 379 CA LEU C 32 3.607 7.500 -20.510 1.00 0.00 C ATOM 380 C LEU C 32 4.712 6.978 -21.431 1.00 0.00 C ATOM 381 O LEU C 32 4.686 5.845 -21.869 1.00 0.00 O ATOM 382 CB LEU C 32 3.848 6.993 -19.086 1.00 0.00 C ATOM 383 CG LEU C 32 2.911 7.721 -18.120 1.00 0.00 C ATOM 384 CD1 LEU C 32 1.919 6.723 -17.519 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.732 8.360 -16.997 1.00 0.00 C ATOM 0 H LEU C 32 2.226 6.010 -21.168 1.00 0.00 H new ATOM 0 HA LEU C 32 3.616 8.590 -20.516 1.00 0.00 H new ATOM 0 HB2 LEU C 32 3.674 5.918 -19.037 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.886 7.162 -18.799 1.00 0.00 H new ATOM 0 HG LEU C 32 2.366 8.495 -18.659 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.252 7.242 -16.831 1.00 0.00 H new ATOM 0 HD12 LEU C 32 1.333 6.267 -18.317 1.00 0.00 H new ATOM 0 HD13 LEU C 32 2.464 5.948 -16.980 1.00 0.00 H new ATOM 0 HD21 LEU C 32 3.065 8.879 -16.309 1.00 0.00 H new ATOM 0 HD22 LEU C 32 4.278 7.585 -16.459 1.00 0.00 H new ATOM 0 HD23 LEU C 32 4.439 9.072 -17.423 1.00 0.00 H new ATOM 397 N GLN C 33 5.684 7.797 -21.729 1.00 0.00 N ATOM 398 CA GLN C 33 6.790 7.349 -22.621 1.00 0.00 C ATOM 399 C GLN C 33 7.962 6.856 -21.770 1.00 0.00 C ATOM 400 O GLN C 33 8.800 7.625 -21.342 1.00 0.00 O ATOM 401 CB GLN C 33 7.248 8.522 -23.492 1.00 0.00 C ATOM 402 CG GLN C 33 7.153 8.130 -24.968 1.00 0.00 C ATOM 403 CD GLN C 33 6.874 9.376 -25.810 1.00 0.00 C ATOM 404 OE1 GLN C 33 5.773 9.893 -25.806 1.00 0.00 O ATOM 405 NE2 GLN C 33 7.830 9.886 -26.538 1.00 0.00 N ATOM 0 H GLN C 33 5.759 8.757 -21.393 1.00 0.00 H new ATOM 0 HA GLN C 33 6.439 6.538 -23.259 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.628 9.397 -23.297 1.00 0.00 H new ATOM 0 HB3 GLN C 33 8.273 8.795 -23.243 1.00 0.00 H new ATOM 0 HG2 GLN C 33 8.082 7.660 -25.291 1.00 0.00 H new ATOM 0 HG3 GLN C 33 6.359 7.397 -25.110 1.00 0.00 H new ATOM 0 HE21 GLN C 33 8.754 9.454 -26.542 1.00 0.00 H new ATOM 0 HE22 GLN C 33 7.653 10.717 -27.102 1.00 0.00 H new ATOM 414 N ILE C 34 8.027 5.577 -21.519 1.00 0.00 N ATOM 415 CA ILE C 34 9.143 5.032 -20.695 1.00 0.00 C ATOM 416 C ILE C 34 10.477 5.581 -21.208 1.00 0.00 C ATOM 417 O ILE C 34 10.661 5.790 -22.390 1.00 0.00 O ATOM 418 CB ILE C 34 9.151 3.506 -20.796 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.833 2.952 -20.251 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.315 2.949 -19.973 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.585 3.513 -18.851 1.00 0.00 C ATOM 0 H ILE C 34 7.354 4.885 -21.849 1.00 0.00 H new ATOM 0 HA ILE C 34 9.004 5.330 -19.656 1.00 0.00 H new ATOM 0 HB ILE C 34 9.266 3.211 -21.839 1.00 0.00 H new ATOM 0 HG12 ILE C 34 7.011 3.222 -20.914 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.870 1.863 -20.217 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.323 1.861 -20.043 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.255 3.344 -20.358 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.197 3.244 -18.930 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.646 3.119 -18.462 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.402 3.220 -18.192 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.529 4.601 -18.899 1.00 0.00 H new ATOM 433 N VAL C 35 11.408 5.819 -20.324 1.00 0.00 N ATOM 434 CA VAL C 35 12.730 6.354 -20.758 1.00 0.00 C ATOM 435 C VAL C 35 13.797 5.273 -20.588 1.00 0.00 C ATOM 436 O VAL C 35 14.245 4.668 -21.542 1.00 0.00 O ATOM 437 CB VAL C 35 13.099 7.571 -19.905 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.421 8.159 -20.403 1.00 0.00 C ATOM 439 CG2 VAL C 35 11.998 8.627 -20.015 1.00 0.00 C ATOM 0 H VAL C 35 11.310 5.666 -19.320 1.00 0.00 H new ATOM 0 HA VAL C 35 12.673 6.650 -21.805 1.00 0.00 H new ATOM 0 HB VAL C 35 13.205 7.266 -18.864 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.685 9.026 -19.797 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.206 7.407 -20.323 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.314 8.464 -21.444 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.262 9.493 -19.407 1.00 0.00 H new ATOM 0 HG22 VAL C 35 11.890 8.933 -21.056 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.056 8.209 -19.661 1.00 0.00 H new ATOM 449 N ASN C 36 14.204 5.025 -19.376 1.00 0.00 N ATOM 450 CA ASN C 36 15.241 3.982 -19.134 1.00 0.00 C ATOM 451 C ASN C 36 14.734 2.996 -18.081 1.00 0.00 C ATOM 452 O ASN C 36 13.628 3.111 -17.592 1.00 0.00 O ATOM 453 CB ASN C 36 16.524 4.648 -18.633 1.00 0.00 C ATOM 454 CG ASN C 36 17.603 4.559 -19.713 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.303 4.565 -20.891 1.00 0.00 O ATOM 456 ND2 ASN C 36 18.857 4.475 -19.360 1.00 0.00 N ATOM 0 H ASN C 36 13.863 5.500 -18.540 1.00 0.00 H new ATOM 0 HA ASN C 36 15.446 3.449 -20.062 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.331 5.691 -18.383 1.00 0.00 H new ATOM 0 HB3 ASN C 36 16.867 4.160 -17.721 1.00 0.00 H new ATOM 0 HD21 ASN C 36 19.584 4.414 -20.072 1.00 0.00 H new ATOM 0 HD22 ASN C 36 19.109 4.470 -18.372 1.00 0.00 H new ATOM 463 N ASN C 37 15.533 2.027 -17.726 1.00 0.00 N ATOM 464 CA ASN C 37 15.094 1.036 -16.704 1.00 0.00 C ATOM 465 C ASN C 37 13.803 0.360 -17.171 1.00 0.00 C ATOM 466 O ASN C 37 12.757 0.974 -17.237 1.00 0.00 O ATOM 467 CB ASN C 37 14.845 1.751 -15.375 1.00 0.00 C ATOM 468 CG ASN C 37 16.058 2.617 -15.029 1.00 0.00 C ATOM 469 OD1 ASN C 37 17.243 2.248 -15.429 1.00 0.00 O flip ATOM 470 ND2 ASN C 37 15.925 3.640 -14.386 1.00 0.00 N flip ATOM 0 H ASN C 37 16.471 1.879 -18.100 1.00 0.00 H new ATOM 0 HA ASN C 37 15.870 0.282 -16.571 1.00 0.00 H new ATOM 0 HB2 ASN C 37 13.950 2.370 -15.444 1.00 0.00 H new ATOM 0 HB3 ASN C 37 14.668 1.022 -14.585 1.00 0.00 H new ATOM 0 HD21 ASN C 37 14.998 3.929 -14.073 1.00 0.00 H new ATOM 0 HD22 ASN C 37 16.740 4.210 -14.159 1.00 0.00 H new ATOM 477 N THR C 38 13.866 -0.903 -17.495 1.00 0.00 N ATOM 478 CA THR C 38 12.643 -1.617 -17.958 1.00 0.00 C ATOM 479 C THR C 38 12.487 -2.927 -17.181 1.00 0.00 C ATOM 480 O THR C 38 11.605 -3.718 -17.453 1.00 0.00 O ATOM 481 CB THR C 38 12.766 -1.922 -19.452 1.00 0.00 C ATOM 482 OG1 THR C 38 11.735 -2.820 -19.837 1.00 0.00 O ATOM 483 CG2 THR C 38 14.130 -2.555 -19.733 1.00 0.00 C ATOM 0 H THR C 38 14.712 -1.471 -17.459 1.00 0.00 H new ATOM 0 HA THR C 38 11.770 -0.988 -17.785 1.00 0.00 H new ATOM 0 HB THR C 38 12.673 -0.998 -20.022 1.00 0.00 H new ATOM 0 HG1 THR C 38 11.191 -3.049 -19.054 1.00 0.00 H new ATOM 0 HG21 THR C 38 14.218 -2.772 -20.797 1.00 0.00 H new ATOM 0 HG22 THR C 38 14.920 -1.864 -19.437 1.00 0.00 H new ATOM 0 HG23 THR C 38 14.226 -3.480 -19.165 1.00 0.00 H new ATOM 491 N GLU C 39 13.334 -3.164 -16.217 1.00 0.00 N ATOM 492 CA GLU C 39 13.229 -4.424 -15.427 1.00 0.00 C ATOM 493 C GLU C 39 13.132 -4.088 -13.938 1.00 0.00 C ATOM 494 O GLU C 39 12.498 -4.787 -13.175 1.00 0.00 O ATOM 495 CB GLU C 39 14.467 -5.287 -15.677 1.00 0.00 C ATOM 496 CG GLU C 39 14.085 -6.487 -16.546 1.00 0.00 C ATOM 497 CD GLU C 39 15.111 -6.649 -17.670 1.00 0.00 C ATOM 498 OE1 GLU C 39 16.129 -7.279 -17.430 1.00 0.00 O ATOM 499 OE2 GLU C 39 14.862 -6.141 -18.751 1.00 0.00 O ATOM 0 H GLU C 39 14.093 -2.541 -15.942 1.00 0.00 H new ATOM 0 HA GLU C 39 12.337 -4.971 -15.733 1.00 0.00 H new ATOM 0 HB2 GLU C 39 15.240 -4.698 -16.171 1.00 0.00 H new ATOM 0 HB3 GLU C 39 14.883 -5.629 -14.729 1.00 0.00 H new ATOM 0 HG2 GLU C 39 14.048 -7.392 -15.939 1.00 0.00 H new ATOM 0 HG3 GLU C 39 13.089 -6.344 -16.966 1.00 0.00 H new ATOM 506 N GLY C 40 13.758 -3.023 -13.520 1.00 0.00 N ATOM 507 CA GLY C 40 13.701 -2.643 -12.080 1.00 0.00 C ATOM 508 C GLY C 40 12.264 -2.274 -11.708 1.00 0.00 C ATOM 509 O GLY C 40 11.346 -2.455 -12.483 1.00 0.00 O ATOM 0 H GLY C 40 14.306 -2.400 -14.113 1.00 0.00 H new ATOM 0 HA2 GLY C 40 14.048 -3.470 -11.460 1.00 0.00 H new ATOM 0 HA3 GLY C 40 14.366 -1.801 -11.888 1.00 0.00 H new ATOM 513 N ASP C 41 12.059 -1.761 -10.526 1.00 0.00 N ATOM 514 CA ASP C 41 10.679 -1.382 -10.106 1.00 0.00 C ATOM 515 C ASP C 41 10.548 0.141 -10.102 1.00 0.00 C ATOM 516 O ASP C 41 9.707 0.697 -9.424 1.00 0.00 O ATOM 517 CB ASP C 41 10.405 -1.915 -8.700 1.00 0.00 C ATOM 518 CG ASP C 41 9.621 -3.225 -8.793 1.00 0.00 C ATOM 519 OD1 ASP C 41 8.408 -3.159 -8.921 1.00 0.00 O ATOM 520 OD2 ASP C 41 10.244 -4.272 -8.737 1.00 0.00 O ATOM 0 H ASP C 41 12.787 -1.588 -9.833 1.00 0.00 H new ATOM 0 HA ASP C 41 9.960 -1.811 -10.804 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.345 -2.078 -8.172 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.840 -1.181 -8.125 1.00 0.00 H new ATOM 525 N TRP C 42 11.371 0.820 -10.851 1.00 0.00 N ATOM 526 CA TRP C 42 11.285 2.306 -10.883 1.00 0.00 C ATOM 527 C TRP C 42 11.919 2.830 -12.172 1.00 0.00 C ATOM 528 O TRP C 42 13.124 2.931 -12.288 1.00 0.00 O ATOM 529 CB TRP C 42 12.026 2.882 -9.675 1.00 0.00 C ATOM 530 CG TRP C 42 11.163 2.705 -8.425 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.366 1.780 -7.471 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.090 3.435 -8.131 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.371 1.997 -6.608 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.530 3.009 -6.942 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.523 4.483 -8.825 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.402 3.633 -6.451 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.395 5.107 -8.332 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.834 4.682 -7.146 1.00 0.00 C ATOM 0 H TRP C 42 12.097 0.412 -11.440 1.00 0.00 H new ATOM 0 HA TRP C 42 10.239 2.611 -10.848 1.00 0.00 H new ATOM 0 HB2 TRP C 42 12.983 2.377 -9.545 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.242 3.938 -9.836 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.148 1.038 -7.416 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.251 1.443 -5.760 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.962 4.815 -9.754 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 7.963 3.301 -5.522 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.951 5.928 -8.875 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.951 5.170 -6.761 1.00 0.00 H new ATOM 549 N TRP C 43 11.114 3.162 -13.142 1.00 0.00 N ATOM 550 CA TRP C 43 11.666 3.679 -14.425 1.00 0.00 C ATOM 551 C TRP C 43 11.276 5.150 -14.590 1.00 0.00 C ATOM 552 O TRP C 43 10.342 5.629 -13.977 1.00 0.00 O ATOM 553 CB TRP C 43 11.092 2.873 -15.592 1.00 0.00 C ATOM 554 CG TRP C 43 11.141 1.381 -15.258 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.086 0.788 -14.509 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.258 0.476 -15.674 1.00 0.00 C ATOM 557 NE1 TRP C 43 11.725 -0.497 -14.506 1.00 0.00 N ATOM 558 CE2 TRP C 43 10.597 -0.779 -15.206 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.133 0.640 -16.456 1.00 0.00 C ATOM 560 CZ2 TRP C 43 9.812 -1.869 -15.523 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.347 -0.450 -16.772 1.00 0.00 C ATOM 562 CH2 TRP C 43 8.687 -1.704 -16.306 1.00 0.00 C ATOM 0 H TRP C 43 10.097 3.098 -13.102 1.00 0.00 H new ATOM 0 HA TRP C 43 12.752 3.585 -14.415 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.064 3.179 -15.788 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.662 3.072 -16.500 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.937 1.244 -14.024 1.00 0.00 H new ATOM 0 HE1 TRP C 43 12.258 -1.214 -14.014 1.00 0.00 H new ATOM 0 HE3 TRP C 43 8.867 1.621 -16.821 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 10.078 -2.850 -15.159 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.466 -0.322 -17.384 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.072 -2.557 -16.554 1.00 0.00 H new ATOM 573 N LEU C 44 11.985 5.870 -15.414 1.00 0.00 N ATOM 574 CA LEU C 44 11.658 7.308 -15.622 1.00 0.00 C ATOM 575 C LEU C 44 10.841 7.447 -16.904 1.00 0.00 C ATOM 576 O LEU C 44 11.326 7.195 -17.986 1.00 0.00 O ATOM 577 CB LEU C 44 12.954 8.111 -15.751 1.00 0.00 C ATOM 578 CG LEU C 44 12.648 9.602 -15.600 1.00 0.00 C ATOM 579 CD1 LEU C 44 12.454 9.936 -14.120 1.00 0.00 C ATOM 580 CD2 LEU C 44 13.816 10.419 -16.157 1.00 0.00 C ATOM 0 H LEU C 44 12.778 5.524 -15.953 1.00 0.00 H new ATOM 0 HA LEU C 44 11.084 7.685 -14.775 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.667 7.796 -14.989 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.418 7.920 -16.719 1.00 0.00 H new ATOM 0 HG LEU C 44 11.738 9.844 -16.149 1.00 0.00 H new ATOM 0 HD11 LEU C 44 12.236 10.999 -14.012 1.00 0.00 H new ATOM 0 HD12 LEU C 44 11.624 9.353 -13.721 1.00 0.00 H new ATOM 0 HD13 LEU C 44 13.364 9.695 -13.570 1.00 0.00 H new ATOM 0 HD21 LEU C 44 13.600 11.482 -16.050 1.00 0.00 H new ATOM 0 HD22 LEU C 44 14.725 10.176 -15.606 1.00 0.00 H new ATOM 0 HD23 LEU C 44 13.956 10.181 -17.211 1.00 0.00 H new ATOM 592 N ALA C 45 9.604 7.846 -16.799 1.00 0.00 N ATOM 593 CA ALA C 45 8.774 7.991 -18.027 1.00 0.00 C ATOM 594 C ALA C 45 8.175 9.396 -18.097 1.00 0.00 C ATOM 595 O ALA C 45 8.157 10.129 -17.125 1.00 0.00 O ATOM 596 CB ALA C 45 7.644 6.960 -18.001 1.00 0.00 C ATOM 0 H ALA C 45 9.135 8.076 -15.923 1.00 0.00 H new ATOM 0 HA ALA C 45 9.404 7.829 -18.902 1.00 0.00 H new ATOM 0 HB1 ALA C 45 7.035 7.065 -18.899 1.00 0.00 H new ATOM 0 HB2 ALA C 45 8.068 5.956 -17.965 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.023 7.123 -17.121 1.00 0.00 H new ATOM 602 N HIS C 46 7.691 9.776 -19.248 1.00 0.00 N ATOM 603 CA HIS C 46 7.089 11.129 -19.405 1.00 0.00 C ATOM 604 C HIS C 46 5.564 10.994 -19.436 1.00 0.00 C ATOM 605 O HIS C 46 5.034 9.966 -19.807 1.00 0.00 O ATOM 606 CB HIS C 46 7.576 11.750 -20.715 1.00 0.00 C ATOM 607 CG HIS C 46 7.012 13.167 -20.856 1.00 0.00 C ATOM 608 ND1 HIS C 46 6.623 13.857 -21.990 1.00 0.00 N flip ATOM 609 CD2 HIS C 46 6.812 13.973 -19.898 1.00 0.00 C flip ATOM 610 CE1 HIS C 46 6.195 15.082 -21.648 1.00 0.00 C flip ATOM 611 NE2 HIS C 46 6.341 15.082 -20.333 1.00 0.00 N flip ATOM 0 H HIS C 46 7.687 9.203 -20.092 1.00 0.00 H new ATOM 0 HA HIS C 46 7.384 11.767 -18.572 1.00 0.00 H new ATOM 0 HB2 HIS C 46 8.665 11.779 -20.732 1.00 0.00 H new ATOM 0 HB3 HIS C 46 7.260 11.137 -21.559 1.00 0.00 H new ATOM 0 HD1 HIS C 46 6.656 13.490 -22.941 1.00 0.00 H new ATOM 0 HD2 HIS C 46 7.011 13.755 -18.859 1.00 0.00 H new ATOM 0 HE1 HIS C 46 5.824 15.870 -22.286 1.00 0.00 H new ATOM 619 N SER C 47 4.855 12.018 -19.049 1.00 0.00 N ATOM 620 CA SER C 47 3.366 11.934 -19.060 1.00 0.00 C ATOM 621 C SER C 47 2.826 12.541 -20.357 1.00 0.00 C ATOM 622 O SER C 47 1.699 12.300 -20.742 1.00 0.00 O ATOM 623 CB SER C 47 2.805 12.705 -17.864 1.00 0.00 C ATOM 624 OG SER C 47 3.820 12.862 -16.884 1.00 0.00 O ATOM 0 H SER C 47 5.239 12.906 -18.727 1.00 0.00 H new ATOM 0 HA SER C 47 3.062 10.889 -18.996 1.00 0.00 H new ATOM 0 HB2 SER C 47 2.441 13.681 -18.185 1.00 0.00 H new ATOM 0 HB3 SER C 47 1.955 12.171 -17.440 1.00 0.00 H new ATOM 0 HG SER C 47 3.409 13.058 -16.016 1.00 0.00 H new ATOM 630 N LEU C 48 3.619 13.327 -21.032 1.00 0.00 N ATOM 631 CA LEU C 48 3.147 13.948 -22.303 1.00 0.00 C ATOM 632 C LEU C 48 2.054 14.976 -21.997 1.00 0.00 C ATOM 633 O LEU C 48 1.439 15.523 -22.890 1.00 0.00 O ATOM 634 CB LEU C 48 2.581 12.864 -23.222 1.00 0.00 C ATOM 635 CG LEU C 48 3.555 11.687 -23.285 1.00 0.00 C ATOM 636 CD1 LEU C 48 2.989 10.605 -24.209 1.00 0.00 C ATOM 637 CD2 LEU C 48 4.901 12.167 -23.830 1.00 0.00 C ATOM 0 H LEU C 48 4.572 13.566 -20.759 1.00 0.00 H new ATOM 0 HA LEU C 48 3.984 14.443 -22.795 1.00 0.00 H new ATOM 0 HB2 LEU C 48 1.612 12.528 -22.852 1.00 0.00 H new ATOM 0 HB3 LEU C 48 2.418 13.268 -24.221 1.00 0.00 H new ATOM 0 HG LEU C 48 3.693 11.276 -22.285 1.00 0.00 H new ATOM 0 HD11 LEU C 48 3.683 9.766 -24.254 1.00 0.00 H new ATOM 0 HD12 LEU C 48 2.029 10.262 -23.822 1.00 0.00 H new ATOM 0 HD13 LEU C 48 2.851 11.016 -25.209 1.00 0.00 H new ATOM 0 HD21 LEU C 48 5.595 11.328 -23.875 1.00 0.00 H new ATOM 0 HD22 LEU C 48 4.763 12.578 -24.830 1.00 0.00 H new ATOM 0 HD23 LEU C 48 5.305 12.938 -23.174 1.00 0.00 H new ATOM 649 N THR C 49 1.808 15.246 -20.743 1.00 0.00 N ATOM 650 CA THR C 49 0.755 16.238 -20.389 1.00 0.00 C ATOM 651 C THR C 49 1.354 17.646 -20.413 1.00 0.00 C ATOM 652 O THR C 49 1.194 18.383 -21.366 1.00 0.00 O ATOM 653 CB THR C 49 0.220 15.936 -18.986 1.00 0.00 C ATOM 654 OG1 THR C 49 -0.397 14.656 -18.984 1.00 0.00 O ATOM 655 CG2 THR C 49 -0.804 16.999 -18.588 1.00 0.00 C ATOM 0 H THR C 49 2.291 14.823 -19.950 1.00 0.00 H new ATOM 0 HA THR C 49 -0.060 16.176 -21.110 1.00 0.00 H new ATOM 0 HB THR C 49 1.044 15.945 -18.272 1.00 0.00 H new ATOM 0 HG1 THR C 49 -0.739 14.459 -18.087 1.00 0.00 H new ATOM 0 HG21 THR C 49 -1.184 16.783 -17.589 1.00 0.00 H new ATOM 0 HG22 THR C 49 -0.330 17.980 -18.591 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.630 16.993 -19.299 1.00 0.00 H new ATOM 663 N THR C 50 2.045 18.025 -19.374 1.00 0.00 N ATOM 664 CA THR C 50 2.653 19.384 -19.339 1.00 0.00 C ATOM 665 C THR C 50 4.058 19.328 -19.945 1.00 0.00 C ATOM 666 O THR C 50 4.461 20.204 -20.683 1.00 0.00 O ATOM 667 CB THR C 50 2.740 19.868 -17.889 1.00 0.00 C ATOM 668 OG1 THR C 50 1.581 19.447 -17.182 1.00 0.00 O ATOM 669 CG2 THR C 50 2.830 21.394 -17.863 1.00 0.00 C ATOM 0 H THR C 50 2.215 17.452 -18.547 1.00 0.00 H new ATOM 0 HA THR C 50 2.036 20.074 -19.914 1.00 0.00 H new ATOM 0 HB THR C 50 3.628 19.447 -17.417 1.00 0.00 H new ATOM 0 HG1 THR C 50 1.635 19.754 -16.253 1.00 0.00 H new ATOM 0 HG21 THR C 50 2.892 21.737 -16.830 1.00 0.00 H new ATOM 0 HG22 THR C 50 3.719 21.715 -18.406 1.00 0.00 H new ATOM 0 HG23 THR C 50 1.944 21.819 -18.334 1.00 0.00 H new ATOM 677 N GLY C 51 4.805 18.302 -19.640 1.00 0.00 N ATOM 678 CA GLY C 51 6.182 18.189 -20.199 1.00 0.00 C ATOM 679 C GLY C 51 7.178 17.950 -19.063 1.00 0.00 C ATOM 680 O GLY C 51 8.294 18.429 -19.093 1.00 0.00 O ATOM 0 H GLY C 51 4.521 17.537 -19.028 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.228 17.369 -20.916 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.442 19.099 -20.739 1.00 0.00 H new ATOM 684 N GLN C 52 6.784 17.213 -18.062 1.00 0.00 N ATOM 685 CA GLN C 52 7.708 16.945 -16.925 1.00 0.00 C ATOM 686 C GLN C 52 7.871 15.434 -16.748 1.00 0.00 C ATOM 687 O GLN C 52 6.904 14.700 -16.680 1.00 0.00 O ATOM 688 CB GLN C 52 7.132 17.549 -15.642 1.00 0.00 C ATOM 689 CG GLN C 52 6.491 18.903 -15.956 1.00 0.00 C ATOM 690 CD GLN C 52 4.997 18.844 -15.629 1.00 0.00 C ATOM 691 OE1 GLN C 52 4.354 17.838 -15.849 1.00 0.00 O ATOM 692 NE2 GLN C 52 4.414 19.891 -15.111 1.00 0.00 N ATOM 0 H GLN C 52 5.862 16.785 -17.982 1.00 0.00 H new ATOM 0 HA GLN C 52 8.679 17.395 -17.133 1.00 0.00 H new ATOM 0 HB2 GLN C 52 6.391 16.875 -15.211 1.00 0.00 H new ATOM 0 HB3 GLN C 52 7.921 17.672 -14.900 1.00 0.00 H new ATOM 0 HG2 GLN C 52 6.972 19.689 -15.374 1.00 0.00 H new ATOM 0 HG3 GLN C 52 6.635 19.151 -17.007 1.00 0.00 H new ATOM 0 HE21 GLN C 52 4.954 20.736 -14.926 1.00 0.00 H new ATOM 0 HE22 GLN C 52 3.418 19.864 -14.891 1.00 0.00 H new ATOM 701 N THR C 53 9.084 14.961 -16.671 1.00 0.00 N ATOM 702 CA THR C 53 9.302 13.498 -16.498 1.00 0.00 C ATOM 703 C THR C 53 9.094 13.130 -15.023 1.00 0.00 C ATOM 704 O THR C 53 8.893 13.983 -14.183 1.00 0.00 O ATOM 705 CB THR C 53 10.729 13.140 -16.974 1.00 0.00 C ATOM 706 OG1 THR C 53 10.640 12.216 -18.048 1.00 0.00 O ATOM 707 CG2 THR C 53 11.559 12.513 -15.843 1.00 0.00 C ATOM 0 H THR C 53 9.933 15.524 -16.720 1.00 0.00 H new ATOM 0 HA THR C 53 8.589 12.930 -17.096 1.00 0.00 H new ATOM 0 HB THR C 53 11.223 14.058 -17.293 1.00 0.00 H new ATOM 0 HG1 THR C 53 11.541 11.985 -18.356 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.556 12.274 -16.213 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.638 13.218 -15.016 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.072 11.601 -15.497 1.00 0.00 H new ATOM 715 N GLY C 54 9.142 11.865 -14.708 1.00 0.00 N ATOM 716 CA GLY C 54 8.949 11.445 -13.291 1.00 0.00 C ATOM 717 C GLY C 54 9.240 9.949 -13.157 1.00 0.00 C ATOM 718 O GLY C 54 8.759 9.140 -13.926 1.00 0.00 O ATOM 0 H GLY C 54 9.306 11.105 -15.369 1.00 0.00 H new ATOM 0 HA2 GLY C 54 9.611 12.015 -12.639 1.00 0.00 H new ATOM 0 HA3 GLY C 54 7.928 11.657 -12.974 1.00 0.00 H new ATOM 722 N TYR C 55 10.027 9.575 -12.185 1.00 0.00 N ATOM 723 CA TYR C 55 10.349 8.137 -11.999 1.00 0.00 C ATOM 724 C TYR C 55 9.077 7.389 -11.594 1.00 0.00 C ATOM 725 O TYR C 55 8.780 7.238 -10.426 1.00 0.00 O ATOM 726 CB TYR C 55 11.398 7.998 -10.896 1.00 0.00 C ATOM 727 CG TYR C 55 12.759 8.468 -11.415 1.00 0.00 C ATOM 728 CD1 TYR C 55 13.397 7.783 -12.428 1.00 0.00 C ATOM 729 CD2 TYR C 55 13.368 9.581 -10.872 1.00 0.00 C ATOM 730 CE1 TYR C 55 14.627 8.205 -12.892 1.00 0.00 C ATOM 731 CE2 TYR C 55 14.597 10.003 -11.336 1.00 0.00 C ATOM 732 CZ TYR C 55 15.237 9.318 -12.349 1.00 0.00 C ATOM 733 OH TYR C 55 16.465 9.740 -12.813 1.00 0.00 O ATOM 0 H TYR C 55 10.460 10.207 -11.512 1.00 0.00 H new ATOM 0 HA TYR C 55 10.739 7.718 -12.927 1.00 0.00 H new ATOM 0 HB2 TYR C 55 11.106 8.588 -10.027 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.461 6.960 -10.570 1.00 0.00 H new ATOM 0 HD1 TYR C 55 12.931 6.910 -12.861 1.00 0.00 H new ATOM 0 HD2 TYR C 55 12.879 10.126 -10.078 1.00 0.00 H new ATOM 0 HE1 TYR C 55 15.116 7.660 -13.686 1.00 0.00 H new ATOM 0 HE2 TYR C 55 15.062 10.876 -10.903 1.00 0.00 H new ATOM 0 HH TYR C 55 16.745 10.539 -12.319 1.00 0.00 H new ATOM 743 N ILE C 56 8.325 6.915 -12.549 1.00 0.00 N ATOM 744 CA ILE C 56 7.073 6.178 -12.214 1.00 0.00 C ATOM 745 C ILE C 56 7.420 4.740 -11.817 1.00 0.00 C ATOM 746 O ILE C 56 8.325 4.150 -12.371 1.00 0.00 O ATOM 747 CB ILE C 56 6.150 6.161 -13.433 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.880 5.526 -14.618 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.750 7.593 -13.791 1.00 0.00 C ATOM 750 CD1 ILE C 56 6.421 4.076 -14.782 1.00 0.00 C ATOM 0 H ILE C 56 8.523 7.006 -13.546 1.00 0.00 H new ATOM 0 HA ILE C 56 6.570 6.674 -11.384 1.00 0.00 H new ATOM 0 HB ILE C 56 5.257 5.580 -13.202 1.00 0.00 H new ATOM 0 HG12 ILE C 56 6.675 6.089 -15.529 1.00 0.00 H new ATOM 0 HG13 ILE C 56 7.957 5.562 -14.457 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.092 7.581 -14.660 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.229 8.047 -12.948 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.643 8.174 -14.021 1.00 0.00 H new ATOM 0 HD11 ILE C 56 6.941 3.623 -15.626 1.00 0.00 H new ATOM 0 HD12 ILE C 56 6.648 3.518 -13.874 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.346 4.053 -14.963 1.00 0.00 H new ATOM 762 N PRO C 57 6.686 4.216 -10.865 1.00 0.00 N ATOM 763 CA PRO C 57 6.900 2.843 -10.379 1.00 0.00 C ATOM 764 C PRO C 57 6.646 1.840 -11.509 1.00 0.00 C ATOM 765 O PRO C 57 5.908 2.108 -12.435 1.00 0.00 O ATOM 766 CB PRO C 57 5.878 2.660 -9.250 1.00 0.00 C ATOM 767 CG PRO C 57 5.048 3.967 -9.150 1.00 0.00 C ATOM 768 CD PRO C 57 5.593 4.948 -10.200 1.00 0.00 C ATOM 0 HA PRO C 57 7.920 2.677 -10.033 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.229 1.809 -9.456 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.383 2.454 -8.306 1.00 0.00 H new ATOM 0 HG2 PRO C 57 3.992 3.764 -9.328 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.126 4.394 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.819 5.236 -10.912 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.956 5.865 -9.735 1.00 0.00 H new ATOM 776 N SER C 58 7.254 0.687 -11.439 1.00 0.00 N ATOM 777 CA SER C 58 7.049 -0.330 -12.505 1.00 0.00 C ATOM 778 C SER C 58 5.821 -1.186 -12.180 1.00 0.00 C ATOM 779 O SER C 58 5.117 -1.635 -13.062 1.00 0.00 O ATOM 780 CB SER C 58 8.288 -1.223 -12.588 1.00 0.00 C ATOM 781 OG SER C 58 8.020 -2.474 -11.969 1.00 0.00 O ATOM 0 H SER C 58 7.884 0.407 -10.688 1.00 0.00 H new ATOM 0 HA SER C 58 6.889 0.171 -13.460 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.569 -1.375 -13.630 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.132 -0.737 -12.098 1.00 0.00 H new ATOM 0 HG SER C 58 8.751 -3.098 -12.162 1.00 0.00 H new ATOM 787 N ASN C 59 5.561 -1.417 -10.923 1.00 0.00 N ATOM 788 CA ASN C 59 4.383 -2.240 -10.544 1.00 0.00 C ATOM 789 C ASN C 59 3.092 -1.499 -10.900 1.00 0.00 C ATOM 790 O ASN C 59 2.015 -2.059 -10.859 1.00 0.00 O ATOM 791 CB ASN C 59 4.426 -2.502 -9.040 1.00 0.00 C ATOM 792 CG ASN C 59 4.196 -1.191 -8.286 1.00 0.00 C ATOM 793 OD1 ASN C 59 4.559 -0.132 -8.760 1.00 0.00 O ATOM 794 ND2 ASN C 59 3.602 -1.215 -7.124 1.00 0.00 N ATOM 0 H ASN C 59 6.116 -1.069 -10.141 1.00 0.00 H new ATOM 0 HA ASN C 59 4.408 -3.185 -11.086 1.00 0.00 H new ATOM 0 HB2 ASN C 59 3.663 -3.230 -8.765 1.00 0.00 H new ATOM 0 HB3 ASN C 59 5.389 -2.929 -8.762 1.00 0.00 H new ATOM 0 HD21 ASN C 59 3.443 -0.346 -6.615 1.00 0.00 H new ATOM 0 HD22 ASN C 59 3.297 -2.103 -6.725 1.00 0.00 H new ATOM 801 N TYR C 60 3.189 -0.244 -11.244 1.00 0.00 N ATOM 802 CA TYR C 60 1.961 0.524 -11.600 1.00 0.00 C ATOM 803 C TYR C 60 1.931 0.796 -13.106 1.00 0.00 C ATOM 804 O TYR C 60 1.149 1.595 -13.582 1.00 0.00 O ATOM 805 CB TYR C 60 1.957 1.856 -10.841 1.00 0.00 C ATOM 806 CG TYR C 60 1.737 1.608 -9.343 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.500 0.333 -8.863 1.00 0.00 C ATOM 808 CD2 TYR C 60 1.769 2.660 -8.449 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.299 0.116 -7.515 1.00 0.00 C ATOM 810 CE2 TYR C 60 1.569 2.441 -7.101 1.00 0.00 C ATOM 811 CZ TYR C 60 1.332 1.168 -6.624 1.00 0.00 C ATOM 812 OH TYR C 60 1.128 0.951 -5.277 1.00 0.00 O ATOM 0 H TYR C 60 4.062 0.282 -11.294 1.00 0.00 H new ATOM 0 HA TYR C 60 1.082 -0.059 -11.326 1.00 0.00 H new ATOM 0 HB2 TYR C 60 2.903 2.375 -10.997 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.171 2.503 -11.230 1.00 0.00 H new ATOM 0 HD1 TYR C 60 1.472 -0.501 -9.549 1.00 0.00 H new ATOM 0 HD2 TYR C 60 1.952 3.662 -8.807 1.00 0.00 H new ATOM 0 HE1 TYR C 60 1.114 -0.885 -7.155 1.00 0.00 H new ATOM 0 HE2 TYR C 60 1.598 3.273 -6.413 1.00 0.00 H new ATOM 0 HH TYR C 60 1.618 0.150 -4.997 1.00 0.00 H new ATOM 822 N VAL C 61 2.770 0.140 -13.862 1.00 0.00 N ATOM 823 CA VAL C 61 2.778 0.373 -15.335 1.00 0.00 C ATOM 824 C VAL C 61 3.047 -0.939 -16.066 1.00 0.00 C ATOM 825 O VAL C 61 3.452 -1.922 -15.480 1.00 0.00 O ATOM 826 CB VAL C 61 3.869 1.382 -15.693 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.192 0.952 -15.057 1.00 0.00 C ATOM 828 CG2 VAL C 61 4.041 1.454 -17.210 1.00 0.00 C ATOM 0 H VAL C 61 3.447 -0.544 -13.525 1.00 0.00 H new ATOM 0 HA VAL C 61 1.806 0.764 -15.636 1.00 0.00 H new ATOM 0 HB VAL C 61 3.580 2.363 -15.317 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.970 1.672 -15.313 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.078 0.910 -13.974 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.472 -0.033 -15.431 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.821 2.176 -17.454 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.323 0.473 -17.591 1.00 0.00 H new ATOM 0 HG23 VAL C 61 3.102 1.765 -17.668 1.00 0.00 H new ATOM 838 N ALA C 62 2.825 -0.955 -17.348 1.00 0.00 N ATOM 839 CA ALA C 62 3.066 -2.198 -18.133 1.00 0.00 C ATOM 840 C ALA C 62 2.947 -1.891 -19.632 1.00 0.00 C ATOM 841 O ALA C 62 2.086 -1.136 -20.038 1.00 0.00 O ATOM 842 CB ALA C 62 2.026 -3.253 -17.748 1.00 0.00 C ATOM 0 H ALA C 62 2.486 -0.160 -17.889 1.00 0.00 H new ATOM 0 HA ALA C 62 4.066 -2.574 -17.917 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.201 -4.163 -18.322 1.00 0.00 H new ATOM 0 HB2 ALA C 62 2.108 -3.474 -16.684 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.027 -2.875 -17.964 1.00 0.00 H new ATOM 848 N PRO C 63 3.818 -2.486 -20.411 1.00 0.00 N ATOM 849 CA PRO C 63 3.828 -2.288 -21.870 1.00 0.00 C ATOM 850 C PRO C 63 2.526 -2.813 -22.482 1.00 0.00 C ATOM 851 O PRO C 63 2.433 -3.958 -22.877 1.00 0.00 O ATOM 852 CB PRO C 63 5.024 -3.109 -22.372 1.00 0.00 C ATOM 853 CG PRO C 63 5.667 -3.803 -21.144 1.00 0.00 C ATOM 854 CD PRO C 63 4.866 -3.389 -19.900 1.00 0.00 C ATOM 0 HA PRO C 63 3.909 -1.236 -22.145 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.700 -3.849 -23.104 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.748 -2.465 -22.870 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.652 -4.886 -21.266 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.711 -3.508 -21.042 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.433 -4.256 -19.402 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.500 -2.886 -19.170 1.00 0.00 H new ATOM 862 N SER C 64 1.520 -1.987 -22.563 1.00 0.00 N ATOM 863 CA SER C 64 0.228 -2.445 -23.148 1.00 0.00 C ATOM 864 C SER C 64 -0.798 -1.312 -23.069 1.00 0.00 C ATOM 865 O SER C 64 -0.795 -0.476 -23.957 1.00 0.00 O ATOM 866 CB SER C 64 -0.285 -3.653 -22.363 1.00 0.00 C ATOM 867 OG SER C 64 -1.678 -3.810 -22.591 1.00 0.00 O ATOM 868 OXT SER C 64 -1.566 -1.300 -22.122 1.00 0.00 O ATOM 0 H SER C 64 1.536 -1.016 -22.250 1.00 0.00 H new ATOM 0 HA SER C 64 0.379 -2.725 -24.190 1.00 0.00 H new ATOM 0 HB2 SER C 64 0.248 -4.553 -22.670 1.00 0.00 H new ATOM 0 HB3 SER C 64 -0.093 -3.517 -21.299 1.00 0.00 H new ATOM 0 HG SER C 64 -2.162 -3.061 -22.184 1.00 0.00 H new ATOM 875 N ARG R 71 14.031 2.159 -1.318 1.00 0.00 N ATOM 876 CA ARG R 71 13.056 2.965 -2.105 1.00 0.00 C ATOM 877 C ARG R 71 11.639 2.685 -1.602 1.00 0.00 C ATOM 878 O ARG R 71 10.752 3.506 -1.727 1.00 0.00 O ATOM 879 CB ARG R 71 13.154 2.583 -3.584 1.00 0.00 C ATOM 880 CG ARG R 71 11.985 3.208 -4.349 1.00 0.00 C ATOM 881 CD ARG R 71 12.100 4.733 -4.300 1.00 0.00 C ATOM 882 NE ARG R 71 10.797 5.344 -4.686 1.00 0.00 N ATOM 883 CZ ARG R 71 10.706 6.634 -4.869 1.00 0.00 C ATOM 884 NH1 ARG R 71 11.756 7.394 -4.716 1.00 0.00 N ATOM 885 NH2 ARG R 71 9.562 7.164 -5.206 1.00 0.00 N ATOM 0 HA ARG R 71 13.282 4.025 -1.986 1.00 0.00 H new ATOM 0 HB2 ARG R 71 14.101 2.929 -3.998 1.00 0.00 H new ATOM 0 HB3 ARG R 71 13.136 1.499 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG R 71 11.989 2.865 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.039 2.890 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG R 71 12.381 5.055 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG R 71 12.886 5.071 -4.975 1.00 0.00 H new ATOM 0 HE ARG R 71 9.974 4.754 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG R 71 12.651 6.981 -4.453 1.00 0.00 H new ATOM 0 HH12 ARG R 71 11.682 8.401 -4.860 1.00 0.00 H new ATOM 0 HH21 ARG R 71 8.741 6.571 -5.326 1.00 0.00 H new ATOM 0 HH22 ARG R 71 9.489 8.171 -5.349 1.00 0.00 H new ATOM 901 N ALA R 72 11.417 1.532 -1.032 1.00 0.00 N ATOM 902 CA ALA R 72 10.057 1.205 -0.522 1.00 0.00 C ATOM 903 C ALA R 72 9.049 1.312 -1.668 1.00 0.00 C ATOM 904 O ALA R 72 8.620 2.391 -2.029 1.00 0.00 O ATOM 905 CB ALA R 72 9.677 2.189 0.586 1.00 0.00 C ATOM 0 H ALA R 72 12.118 0.804 -0.898 1.00 0.00 H new ATOM 0 HA ALA R 72 10.050 0.191 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.681 1.950 0.959 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.397 2.116 1.401 1.00 0.00 H new ATOM 0 HB3 ALA R 72 9.681 3.204 0.188 1.00 0.00 H new ATOM 911 N LEU R 73 8.666 0.205 -2.244 1.00 0.00 N ATOM 912 CA LEU R 73 7.686 0.254 -3.365 1.00 0.00 C ATOM 913 C LEU R 73 6.263 0.353 -2.800 1.00 0.00 C ATOM 914 O LEU R 73 5.948 -0.284 -1.815 1.00 0.00 O ATOM 915 CB LEU R 73 7.809 -1.016 -4.208 1.00 0.00 C ATOM 916 CG LEU R 73 8.711 -0.744 -5.413 1.00 0.00 C ATOM 917 CD1 LEU R 73 8.955 -2.051 -6.168 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.031 0.264 -6.342 1.00 0.00 C ATOM 0 H LEU R 73 8.988 -0.728 -1.988 1.00 0.00 H new ATOM 0 HA LEU R 73 7.892 1.125 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU R 73 8.222 -1.826 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.824 -1.339 -4.544 1.00 0.00 H new ATOM 0 HG LEU R 73 9.663 -0.337 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU R 73 9.598 -1.860 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU R 73 9.439 -2.769 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU R 73 8.003 -2.457 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU R 73 8.673 0.458 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU R 73 7.079 -0.142 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU R 73 7.855 1.195 -5.803 1.00 0.00 H new ATOM 930 N PRO R 74 5.447 1.150 -3.444 1.00 0.00 N ATOM 931 CA PRO R 74 4.049 1.352 -3.024 1.00 0.00 C ATOM 932 C PRO R 74 3.238 0.068 -3.248 1.00 0.00 C ATOM 933 O PRO R 74 2.988 -0.311 -4.376 1.00 0.00 O ATOM 934 CB PRO R 74 3.527 2.469 -3.931 1.00 0.00 C ATOM 935 CG PRO R 74 4.627 2.779 -4.979 1.00 0.00 C ATOM 936 CD PRO R 74 5.855 1.922 -4.630 1.00 0.00 C ATOM 0 HA PRO R 74 3.967 1.604 -1.967 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.605 2.162 -4.424 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.294 3.359 -3.346 1.00 0.00 H new ATOM 0 HG2 PRO R 74 4.274 2.550 -5.984 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.883 3.839 -4.964 1.00 0.00 H new ATOM 0 HD2 PRO R 74 6.127 1.265 -5.456 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.725 2.544 -4.418 1.00 0.00 H new ATOM 944 N PRO R 75 2.851 -0.568 -2.170 1.00 0.00 N ATOM 945 CA PRO R 75 2.066 -1.813 -2.239 1.00 0.00 C ATOM 946 C PRO R 75 0.742 -1.558 -2.966 1.00 0.00 C ATOM 947 O PRO R 75 0.117 -0.532 -2.791 1.00 0.00 O ATOM 948 CB PRO R 75 1.814 -2.203 -0.776 1.00 0.00 C ATOM 949 CG PRO R 75 2.490 -1.133 0.119 1.00 0.00 C ATOM 950 CD PRO R 75 3.155 -0.101 -0.805 1.00 0.00 C ATOM 0 HA PRO R 75 2.582 -2.602 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO R 75 0.744 -2.252 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO R 75 2.224 -3.191 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO R 75 1.753 -0.652 0.762 1.00 0.00 H new ATOM 0 HG3 PRO R 75 3.231 -1.594 0.773 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.758 0.899 -0.631 1.00 0.00 H new ATOM 0 HD3 PRO R 75 4.230 -0.052 -0.634 1.00 0.00 H new ATOM 958 N LEU R 76 0.315 -2.484 -3.783 1.00 0.00 N ATOM 959 CA LEU R 76 -0.967 -2.296 -4.521 1.00 0.00 C ATOM 960 C LEU R 76 -2.017 -1.708 -3.574 1.00 0.00 C ATOM 961 O LEU R 76 -1.865 -1.768 -2.371 1.00 0.00 O ATOM 962 CB LEU R 76 -1.452 -3.649 -5.048 1.00 0.00 C ATOM 963 CG LEU R 76 -0.734 -3.972 -6.359 1.00 0.00 C ATOM 964 CD1 LEU R 76 -0.991 -5.432 -6.736 1.00 0.00 C ATOM 965 CD2 LEU R 76 -1.259 -3.058 -7.468 1.00 0.00 C ATOM 0 H LEU R 76 0.799 -3.362 -3.971 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.812 -1.615 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU R 76 -1.257 -4.429 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -2.530 -3.624 -5.208 1.00 0.00 H new ATOM 0 HG LEU R 76 0.337 -3.813 -6.234 1.00 0.00 H new ATOM 0 HD11 LEU R 76 -0.479 -5.662 -7.670 1.00 0.00 H new ATOM 0 HD12 LEU R 76 -0.615 -6.083 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU R 76 -2.062 -5.593 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU R 76 -0.747 -3.288 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -2.330 -3.216 -7.593 1.00 0.00 H new ATOM 0 HD23 LEU R 76 -1.074 -2.018 -7.200 1.00 0.00 H new