USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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 20 THR OG1 : rot 180:sc= -0.46 USER MOD Set 1.2: C 22 THR OG1 : rot 180:sc= 0 USER MOD Single : C 9 THR OG1 : rot 41:sc= 0.0456 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 77:sc= 0.0936 USER MOD Single : C 18 SER OG : rot 165:sc= 1.22 USER MOD Single : C 25 SER OG : rot 180:sc= 0 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=-0.0086) USER MOD Single : C 36 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.7) USER MOD Single : C 37 ASN : amide:sc= -12.3! C(o=-12!,f=-10!) USER MOD Single : C 38 THR OG1 : rot 180:sc=-0.00234 USER MOD Single : C 46 HIS : no HD1:sc= -7.73! C(o=-7.7!,f=-6.6!) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0.131 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0.055 USER MOD Single : C 52 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.00067) 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= -0.725 USER MOD Single : C 59 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : C 60 TYR OH : rot -29:sc= -0.372! USER MOD Single : C 64 SER OG : rot 36:sc= 0.279 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 14.385 29.089 -8.151 1.00 0.00 N ATOM 2 CA THR C 9 14.929 28.898 -6.778 1.00 0.00 C ATOM 3 C THR C 9 13.811 28.429 -5.844 1.00 0.00 C ATOM 4 O THR C 9 13.021 29.217 -5.363 1.00 0.00 O ATOM 5 CB THR C 9 15.498 30.224 -6.266 1.00 0.00 C ATOM 6 OG1 THR C 9 16.604 30.605 -7.072 1.00 0.00 O ATOM 7 CG2 THR C 9 15.955 30.059 -4.815 1.00 0.00 C ATOM 0 HA THR C 9 15.719 28.148 -6.803 1.00 0.00 H new ATOM 0 HB THR C 9 14.728 30.994 -6.317 1.00 0.00 H new ATOM 0 HG1 THR C 9 16.403 30.419 -8.013 1.00 0.00 H new ATOM 0 HG21 THR C 9 16.360 31.003 -4.451 1.00 0.00 H new ATOM 0 HG22 THR C 9 15.106 29.766 -4.197 1.00 0.00 H new ATOM 0 HG23 THR C 9 16.725 29.289 -4.761 1.00 0.00 H new ATOM 15 N PHE C 10 13.736 27.152 -5.584 1.00 0.00 N ATOM 16 CA PHE C 10 12.667 26.637 -4.682 1.00 0.00 C ATOM 17 C PHE C 10 13.081 26.853 -3.223 1.00 0.00 C ATOM 18 O PHE C 10 14.050 27.528 -2.935 1.00 0.00 O ATOM 19 CB PHE C 10 12.462 25.142 -4.929 1.00 0.00 C ATOM 20 CG PHE C 10 11.643 24.928 -6.206 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.610 25.895 -7.194 1.00 0.00 C ATOM 22 CD2 PHE C 10 10.928 23.756 -6.388 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.873 25.693 -8.344 1.00 0.00 C ATOM 24 CE2 PHE C 10 10.194 23.556 -7.537 1.00 0.00 C ATOM 25 CZ PHE C 10 10.166 24.524 -8.516 1.00 0.00 C ATOM 0 H PHE C 10 14.368 26.444 -5.957 1.00 0.00 H new ATOM 0 HA PHE C 10 11.739 27.171 -4.884 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.428 24.644 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE C 10 11.949 24.692 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE C 10 12.164 26.813 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE C 10 10.946 22.993 -5.624 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.851 26.454 -9.110 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.640 22.639 -7.670 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.591 24.367 -9.417 1.00 0.00 H new ATOM 35 N VAL C 11 12.355 26.276 -2.301 1.00 0.00 N ATOM 36 CA VAL C 11 12.702 26.445 -0.860 1.00 0.00 C ATOM 37 C VAL C 11 12.775 25.072 -0.189 1.00 0.00 C ATOM 38 O VAL C 11 12.171 24.119 -0.639 1.00 0.00 O ATOM 39 CB VAL C 11 11.628 27.291 -0.173 1.00 0.00 C ATOM 40 CG1 VAL C 11 11.942 27.402 1.320 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.604 28.689 -0.794 1.00 0.00 C ATOM 0 H VAL C 11 11.537 25.695 -2.484 1.00 0.00 H new ATOM 0 HA VAL C 11 13.668 26.943 -0.775 1.00 0.00 H new ATOM 0 HB VAL C 11 10.655 26.818 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL C 11 11.177 28.005 1.809 1.00 0.00 H new ATOM 0 HG12 VAL C 11 11.958 26.406 1.763 1.00 0.00 H new ATOM 0 HG13 VAL C 11 12.915 27.874 1.453 1.00 0.00 H new ATOM 0 HG21 VAL C 11 10.839 29.291 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.577 29.162 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL C 11 11.379 28.611 -1.858 1.00 0.00 H new ATOM 51 N ALA C 12 13.508 24.961 0.885 1.00 0.00 N ATOM 52 CA ALA C 12 13.616 23.647 1.580 1.00 0.00 C ATOM 53 C ALA C 12 12.520 23.524 2.642 1.00 0.00 C ATOM 54 O ALA C 12 12.693 23.923 3.777 1.00 0.00 O ATOM 55 CB ALA C 12 14.984 23.535 2.250 1.00 0.00 C ATOM 0 H ALA C 12 14.036 25.723 1.311 1.00 0.00 H new ATOM 0 HA ALA C 12 13.498 22.847 0.849 1.00 0.00 H new ATOM 0 HB1 ALA C 12 15.063 22.574 2.758 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.766 23.611 1.495 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.101 24.340 2.976 1.00 0.00 H new ATOM 61 N LEU C 13 11.394 22.972 2.281 1.00 0.00 N ATOM 62 CA LEU C 13 10.283 22.819 3.264 1.00 0.00 C ATOM 63 C LEU C 13 10.677 21.790 4.324 1.00 0.00 C ATOM 64 O LEU C 13 10.281 21.881 5.469 1.00 0.00 O ATOM 65 CB LEU C 13 9.027 22.332 2.540 1.00 0.00 C ATOM 66 CG LEU C 13 8.532 23.417 1.584 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.311 22.898 0.821 1.00 0.00 C ATOM 68 CD2 LEU C 13 8.144 24.662 2.381 1.00 0.00 C ATOM 0 H LEU C 13 11.195 22.619 1.345 1.00 0.00 H new ATOM 0 HA LEU C 13 10.087 23.780 3.739 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.245 21.418 1.987 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.249 22.089 3.264 1.00 0.00 H new ATOM 0 HG LEU C 13 9.323 23.672 0.879 1.00 0.00 H new ATOM 0 HD11 LEU C 13 6.954 23.669 0.138 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.587 22.009 0.253 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.521 22.646 1.528 1.00 0.00 H new ATOM 0 HD21 LEU C 13 7.791 25.435 1.699 1.00 0.00 H new ATOM 0 HD22 LEU C 13 7.351 24.411 3.086 1.00 0.00 H new ATOM 0 HD23 LEU C 13 9.012 25.029 2.928 1.00 0.00 H new ATOM 80 N TYR C 14 11.456 20.810 3.952 1.00 0.00 N ATOM 81 CA TYR C 14 11.870 19.776 4.938 1.00 0.00 C ATOM 82 C TYR C 14 13.393 19.647 4.952 1.00 0.00 C ATOM 83 O TYR C 14 14.042 19.725 3.928 1.00 0.00 O ATOM 84 CB TYR C 14 11.248 18.437 4.547 1.00 0.00 C ATOM 85 CG TYR C 14 9.734 18.530 4.713 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.013 19.457 3.994 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.073 17.709 5.599 1.00 0.00 C ATOM 88 CE1 TYR C 14 7.650 19.569 4.159 1.00 0.00 C ATOM 89 CE2 TYR C 14 7.706 17.816 5.765 1.00 0.00 C ATOM 90 CZ TYR C 14 6.984 18.747 5.045 1.00 0.00 C ATOM 91 OH TYR C 14 5.618 18.856 5.212 1.00 0.00 O ATOM 0 H TYR C 14 11.822 20.683 3.009 1.00 0.00 H new ATOM 0 HA TYR C 14 11.530 20.067 5.932 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.500 18.191 3.515 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.648 17.638 5.172 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.521 20.103 3.293 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.627 16.977 6.168 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.099 20.305 3.592 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.198 17.167 6.463 1.00 0.00 H new ATOM 0 HH TYR C 14 5.316 18.199 5.874 1.00 0.00 H new ATOM 101 N ASP C 15 13.969 19.450 6.107 1.00 0.00 N ATOM 102 CA ASP C 15 15.447 19.315 6.190 1.00 0.00 C ATOM 103 C ASP C 15 15.868 17.995 5.543 1.00 0.00 C ATOM 104 O ASP C 15 16.024 16.989 6.206 1.00 0.00 O ATOM 105 CB ASP C 15 15.864 19.323 7.660 1.00 0.00 C ATOM 106 CG ASP C 15 15.175 18.170 8.395 1.00 0.00 C ATOM 107 OD1 ASP C 15 13.975 18.257 8.599 1.00 0.00 O ATOM 108 OD2 ASP C 15 15.859 17.221 8.740 1.00 0.00 O ATOM 0 H ASP C 15 13.476 19.377 6.997 1.00 0.00 H new ATOM 0 HA ASP C 15 15.928 20.143 5.669 1.00 0.00 H new ATOM 0 HB2 ASP C 15 16.946 19.225 7.742 1.00 0.00 H new ATOM 0 HB3 ASP C 15 15.594 20.274 8.120 1.00 0.00 H new ATOM 113 N TYR C 16 16.054 17.991 4.252 1.00 0.00 N ATOM 114 CA TYR C 16 16.464 16.737 3.560 1.00 0.00 C ATOM 115 C TYR C 16 17.824 16.279 4.090 1.00 0.00 C ATOM 116 O TYR C 16 18.804 16.994 4.014 1.00 0.00 O ATOM 117 CB TYR C 16 16.562 16.996 2.056 1.00 0.00 C ATOM 118 CG TYR C 16 17.115 15.753 1.354 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.781 14.491 1.798 1.00 0.00 C ATOM 120 CD2 TYR C 16 17.951 15.880 0.262 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.276 13.370 1.161 1.00 0.00 C ATOM 122 CE2 TYR C 16 18.445 14.759 -0.375 1.00 0.00 C ATOM 123 CZ TYR C 16 18.111 13.496 0.070 1.00 0.00 C ATOM 124 OH TYR C 16 18.605 12.376 -0.567 1.00 0.00 O ATOM 0 H TYR C 16 15.940 18.803 3.646 1.00 0.00 H new ATOM 0 HA TYR C 16 15.724 15.960 3.748 1.00 0.00 H new ATOM 0 HB2 TYR C 16 15.579 17.245 1.655 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.210 17.852 1.866 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.127 14.378 2.650 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.220 16.863 -0.096 1.00 0.00 H new ATOM 0 HE1 TYR C 16 17.007 12.387 1.520 1.00 0.00 H new ATOM 0 HE2 TYR C 16 19.098 14.871 -1.228 1.00 0.00 H new ATOM 0 HH TYR C 16 17.907 11.989 -1.136 1.00 0.00 H new ATOM 134 N GLU C 17 17.891 15.093 4.629 1.00 0.00 N ATOM 135 CA GLU C 17 19.185 14.587 5.166 1.00 0.00 C ATOM 136 C GLU C 17 19.622 13.358 4.364 1.00 0.00 C ATOM 137 O GLU C 17 19.415 12.233 4.773 1.00 0.00 O ATOM 138 CB GLU C 17 19.013 14.202 6.637 1.00 0.00 C ATOM 139 CG GLU C 17 20.309 13.575 7.153 1.00 0.00 C ATOM 140 CD GLU C 17 21.412 14.636 7.184 1.00 0.00 C ATOM 141 OE1 GLU C 17 21.106 15.771 7.510 1.00 0.00 O ATOM 142 OE2 GLU C 17 22.543 14.295 6.883 1.00 0.00 O ATOM 0 H GLU C 17 17.104 14.451 4.721 1.00 0.00 H new ATOM 0 HA GLU C 17 19.943 15.366 5.082 1.00 0.00 H new ATOM 0 HB2 GLU C 17 18.762 15.083 7.228 1.00 0.00 H new ATOM 0 HB3 GLU C 17 18.187 13.499 6.746 1.00 0.00 H new ATOM 0 HG2 GLU C 17 20.155 13.166 8.151 1.00 0.00 H new ATOM 0 HG3 GLU C 17 20.605 12.746 6.511 1.00 0.00 H new ATOM 149 N SER C 18 20.225 13.564 3.225 1.00 0.00 N ATOM 150 CA SER C 18 20.673 12.408 2.399 1.00 0.00 C ATOM 151 C SER C 18 21.527 11.469 3.252 1.00 0.00 C ATOM 152 O SER C 18 21.966 11.818 4.330 1.00 0.00 O ATOM 153 CB SER C 18 21.501 12.917 1.217 1.00 0.00 C ATOM 154 OG SER C 18 22.881 12.887 1.557 1.00 0.00 O ATOM 0 H SER C 18 20.427 14.483 2.831 1.00 0.00 H new ATOM 0 HA SER C 18 19.802 11.868 2.028 1.00 0.00 H new ATOM 0 HB2 SER C 18 21.319 12.298 0.338 1.00 0.00 H new ATOM 0 HB3 SER C 18 21.201 13.933 0.960 1.00 0.00 H new ATOM 0 HG SER C 18 23.420 12.970 0.743 1.00 0.00 H new ATOM 160 N ARG C 19 21.766 10.277 2.778 1.00 0.00 N ATOM 161 CA ARG C 19 22.592 9.313 3.560 1.00 0.00 C ATOM 162 C ARG C 19 23.837 8.935 2.754 1.00 0.00 C ATOM 163 O ARG C 19 24.689 8.203 3.219 1.00 0.00 O ATOM 164 CB ARG C 19 21.771 8.056 3.849 1.00 0.00 C ATOM 165 CG ARG C 19 21.287 8.087 5.300 1.00 0.00 C ATOM 166 CD ARG C 19 19.758 8.060 5.328 1.00 0.00 C ATOM 167 NE ARG C 19 19.296 6.947 6.204 1.00 0.00 N ATOM 168 CZ ARG C 19 19.431 5.706 5.814 1.00 0.00 C ATOM 169 NH1 ARG C 19 19.972 5.438 4.656 1.00 0.00 N ATOM 170 NH2 ARG C 19 19.024 4.734 6.584 1.00 0.00 N ATOM 0 H ARG C 19 21.425 9.928 1.882 1.00 0.00 H new ATOM 0 HA ARG C 19 22.895 9.774 4.500 1.00 0.00 H new ATOM 0 HB2 ARG C 19 20.919 8.001 3.171 1.00 0.00 H new ATOM 0 HB3 ARG C 19 22.375 7.166 3.675 1.00 0.00 H new ATOM 0 HG2 ARG C 19 21.687 7.233 5.846 1.00 0.00 H new ATOM 0 HG3 ARG C 19 21.655 8.984 5.798 1.00 0.00 H new ATOM 0 HD2 ARG C 19 19.374 9.011 5.697 1.00 0.00 H new ATOM 0 HD3 ARG C 19 19.368 7.929 4.319 1.00 0.00 H new ATOM 0 HE ARG C 19 18.874 7.153 7.109 1.00 0.00 H new ATOM 0 HH11 ARG C 19 20.290 6.197 4.054 1.00 0.00 H new ATOM 0 HH12 ARG C 19 20.076 4.469 4.354 1.00 0.00 H new ATOM 0 HH21 ARG C 19 18.601 4.943 7.489 1.00 0.00 H new ATOM 0 HH22 ARG C 19 19.129 3.766 6.281 1.00 0.00 H new ATOM 184 N THR C 20 23.951 9.425 1.550 1.00 0.00 N ATOM 185 CA THR C 20 25.141 9.090 0.720 1.00 0.00 C ATOM 186 C THR C 20 25.779 10.379 0.199 1.00 0.00 C ATOM 187 O THR C 20 25.267 11.462 0.401 1.00 0.00 O ATOM 188 CB THR C 20 24.711 8.218 -0.463 1.00 0.00 C ATOM 189 OG1 THR C 20 25.713 8.261 -1.470 1.00 0.00 O ATOM 190 CG2 THR C 20 23.391 8.743 -1.031 1.00 0.00 C ATOM 0 H THR C 20 23.271 10.043 1.106 1.00 0.00 H new ATOM 0 HA THR C 20 25.865 8.546 1.327 1.00 0.00 H new ATOM 0 HB THR C 20 24.577 7.190 -0.128 1.00 0.00 H new ATOM 0 HG1 THR C 20 25.440 7.702 -2.227 1.00 0.00 H new ATOM 0 HG21 THR C 20 23.085 8.122 -1.873 1.00 0.00 H new ATOM 0 HG22 THR C 20 22.623 8.710 -0.258 1.00 0.00 H new ATOM 0 HG23 THR C 20 23.523 9.771 -1.367 1.00 0.00 H new ATOM 198 N GLU C 21 26.893 10.271 -0.472 1.00 0.00 N ATOM 199 CA GLU C 21 27.562 11.488 -1.004 1.00 0.00 C ATOM 200 C GLU C 21 26.886 11.915 -2.310 1.00 0.00 C ATOM 201 O GLU C 21 27.070 13.019 -2.783 1.00 0.00 O ATOM 202 CB GLU C 21 29.035 11.178 -1.268 1.00 0.00 C ATOM 203 CG GLU C 21 29.825 11.308 0.037 1.00 0.00 C ATOM 204 CD GLU C 21 30.868 12.418 -0.105 1.00 0.00 C ATOM 205 OE1 GLU C 21 31.949 12.127 -0.589 1.00 0.00 O ATOM 206 OE2 GLU C 21 30.568 13.538 0.274 1.00 0.00 O ATOM 0 H GLU C 21 27.368 9.391 -0.674 1.00 0.00 H new ATOM 0 HA GLU C 21 27.483 12.296 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU C 21 29.139 10.170 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU C 21 29.433 11.863 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU C 21 29.149 11.533 0.862 1.00 0.00 H new ATOM 0 HG3 GLU C 21 30.314 10.363 0.274 1.00 0.00 H new ATOM 213 N THR C 22 26.102 11.050 -2.897 1.00 0.00 N ATOM 214 CA THR C 22 25.417 11.411 -4.170 1.00 0.00 C ATOM 215 C THR C 22 24.583 12.677 -3.954 1.00 0.00 C ATOM 216 O THR C 22 24.948 13.752 -4.386 1.00 0.00 O ATOM 217 CB THR C 22 24.504 10.260 -4.604 1.00 0.00 C ATOM 218 OG1 THR C 22 25.243 9.047 -4.602 1.00 0.00 O ATOM 219 CG2 THR C 22 23.970 10.531 -6.011 1.00 0.00 C ATOM 0 H THR C 22 25.907 10.111 -2.550 1.00 0.00 H new ATOM 0 HA THR C 22 26.160 11.593 -4.947 1.00 0.00 H new ATOM 0 HB THR C 22 23.667 10.179 -3.911 1.00 0.00 H new ATOM 0 HG1 THR C 22 24.661 8.309 -4.878 1.00 0.00 H new ATOM 0 HG21 THR C 22 23.321 9.711 -6.318 1.00 0.00 H new ATOM 0 HG22 THR C 22 23.404 11.462 -6.012 1.00 0.00 H new ATOM 0 HG23 THR C 22 24.805 10.613 -6.707 1.00 0.00 H new ATOM 227 N ASP C 23 23.466 12.559 -3.290 1.00 0.00 N ATOM 228 CA ASP C 23 22.613 13.757 -3.047 1.00 0.00 C ATOM 229 C ASP C 23 23.058 14.430 -1.749 1.00 0.00 C ATOM 230 O ASP C 23 23.299 13.776 -0.754 1.00 0.00 O ATOM 231 CB ASP C 23 21.149 13.327 -2.923 1.00 0.00 C ATOM 232 CG ASP C 23 20.894 12.112 -3.820 1.00 0.00 C ATOM 233 OD1 ASP C 23 21.399 12.105 -4.930 1.00 0.00 O ATOM 234 OD2 ASP C 23 20.199 11.211 -3.380 1.00 0.00 O ATOM 0 H ASP C 23 23.107 11.685 -2.905 1.00 0.00 H new ATOM 0 HA ASP C 23 22.714 14.455 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP C 23 20.918 13.082 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.492 14.148 -3.210 1.00 0.00 H new ATOM 239 N LEU C 24 23.174 15.731 -1.742 1.00 0.00 N ATOM 240 CA LEU C 24 23.606 16.422 -0.495 1.00 0.00 C ATOM 241 C LEU C 24 22.415 16.557 0.445 1.00 0.00 C ATOM 242 O LEU C 24 21.401 15.906 0.287 1.00 0.00 O ATOM 243 CB LEU C 24 24.156 17.823 -0.803 1.00 0.00 C ATOM 244 CG LEU C 24 24.982 17.830 -2.099 1.00 0.00 C ATOM 245 CD1 LEU C 24 25.658 16.473 -2.323 1.00 0.00 C ATOM 246 CD2 LEU C 24 24.060 18.148 -3.272 1.00 0.00 C ATOM 0 H LEU C 24 22.990 16.340 -2.539 1.00 0.00 H new ATOM 0 HA LEU C 24 24.394 15.829 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU C 24 23.330 18.528 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU C 24 24.776 18.163 0.027 1.00 0.00 H new ATOM 0 HG LEU C 24 25.761 18.588 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU C 24 26.237 16.503 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU C 24 26.321 16.254 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU C 24 24.898 15.695 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU C 24 24.637 18.155 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU C 24 23.280 17.390 -3.337 1.00 0.00 H new ATOM 0 HD23 LEU C 24 23.604 19.126 -3.121 1.00 0.00 H new ATOM 258 N SER C 25 22.537 17.401 1.422 1.00 0.00 N ATOM 259 CA SER C 25 21.429 17.596 2.385 1.00 0.00 C ATOM 260 C SER C 25 21.153 19.091 2.559 1.00 0.00 C ATOM 261 O SER C 25 22.061 19.898 2.592 1.00 0.00 O ATOM 262 CB SER C 25 21.845 17.005 3.726 1.00 0.00 C ATOM 263 OG SER C 25 23.165 16.490 3.625 1.00 0.00 O ATOM 0 H SER C 25 23.365 17.970 1.596 1.00 0.00 H new ATOM 0 HA SER C 25 20.528 17.106 2.017 1.00 0.00 H new ATOM 0 HB2 SER C 25 21.799 17.769 4.502 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.155 16.213 4.017 1.00 0.00 H new ATOM 0 HG SER C 25 23.435 16.111 4.487 1.00 0.00 H new ATOM 269 N PHE C 26 19.910 19.467 2.672 1.00 0.00 N ATOM 270 CA PHE C 26 19.584 20.908 2.845 1.00 0.00 C ATOM 271 C PHE C 26 18.597 21.062 4.004 1.00 0.00 C ATOM 272 O PHE C 26 17.591 20.384 4.071 1.00 0.00 O ATOM 273 CB PHE C 26 18.965 21.461 1.557 1.00 0.00 C ATOM 274 CG PHE C 26 17.704 20.674 1.205 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.508 20.979 1.820 1.00 0.00 C ATOM 276 CD2 PHE C 26 17.739 19.665 0.260 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.359 20.288 1.496 1.00 0.00 C ATOM 278 CE2 PHE C 26 16.591 18.972 -0.065 1.00 0.00 C ATOM 279 CZ PHE C 26 15.399 19.284 0.553 1.00 0.00 C ATOM 0 H PHE C 26 19.107 18.839 2.652 1.00 0.00 H new ATOM 0 HA PHE C 26 20.495 21.465 3.064 1.00 0.00 H new ATOM 0 HB2 PHE C 26 18.722 22.516 1.684 1.00 0.00 H new ATOM 0 HB3 PHE C 26 19.684 21.396 0.741 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.471 21.764 2.560 1.00 0.00 H new ATOM 0 HD2 PHE C 26 18.671 19.418 -0.227 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.427 20.534 1.982 1.00 0.00 H new ATOM 0 HE2 PHE C 26 16.626 18.185 -0.804 1.00 0.00 H new ATOM 0 HZ PHE C 26 14.499 18.743 0.299 1.00 0.00 H new ATOM 289 N LYS C 27 18.880 21.945 4.925 1.00 0.00 N ATOM 290 CA LYS C 27 17.959 22.139 6.079 1.00 0.00 C ATOM 291 C LYS C 27 16.797 23.044 5.665 1.00 0.00 C ATOM 292 O LYS C 27 16.787 23.605 4.588 1.00 0.00 O ATOM 293 CB LYS C 27 18.721 22.785 7.238 1.00 0.00 C ATOM 294 CG LYS C 27 20.108 22.150 7.355 1.00 0.00 C ATOM 295 CD LYS C 27 19.962 20.643 7.574 1.00 0.00 C ATOM 296 CE LYS C 27 21.076 20.152 8.502 1.00 0.00 C ATOM 297 NZ LYS C 27 20.787 18.754 8.928 1.00 0.00 N ATOM 0 H LYS C 27 19.709 22.539 4.927 1.00 0.00 H new ATOM 0 HA LYS C 27 17.568 21.172 6.394 1.00 0.00 H new ATOM 0 HB2 LYS C 27 18.814 23.858 7.073 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.169 22.652 8.169 1.00 0.00 H new ATOM 0 HG2 LYS C 27 20.685 22.343 6.451 1.00 0.00 H new ATOM 0 HG3 LYS C 27 20.656 22.597 8.184 1.00 0.00 H new ATOM 0 HD2 LYS C 27 18.987 20.421 8.009 1.00 0.00 H new ATOM 0 HD3 LYS C 27 20.012 20.119 6.619 1.00 0.00 H new ATOM 0 HE2 LYS C 27 22.037 20.196 7.989 1.00 0.00 H new ATOM 0 HE3 LYS C 27 21.150 20.801 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 21.544 18.420 9.559 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 19.878 18.726 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 20.737 18.139 8.091 1.00 0.00 H new ATOM 311 N LYS C 28 15.818 23.188 6.515 1.00 0.00 N ATOM 312 CA LYS C 28 14.656 24.056 6.175 1.00 0.00 C ATOM 313 C LYS C 28 15.092 25.522 6.202 1.00 0.00 C ATOM 314 O LYS C 28 15.842 25.941 7.062 1.00 0.00 O ATOM 315 CB LYS C 28 13.540 23.834 7.198 1.00 0.00 C ATOM 316 CG LYS C 28 12.474 24.920 7.036 1.00 0.00 C ATOM 317 CD LYS C 28 11.293 24.617 7.963 1.00 0.00 C ATOM 318 CE LYS C 28 11.354 25.539 9.183 1.00 0.00 C ATOM 319 NZ LYS C 28 10.196 26.477 9.153 1.00 0.00 N ATOM 0 H LYS C 28 15.773 22.742 7.431 1.00 0.00 H new ATOM 0 HA LYS C 28 14.290 23.805 5.179 1.00 0.00 H new ATOM 0 HB2 LYS C 28 13.095 22.849 7.058 1.00 0.00 H new ATOM 0 HB3 LYS C 28 13.948 23.858 8.208 1.00 0.00 H new ATOM 0 HG2 LYS C 28 12.895 25.897 7.273 1.00 0.00 H new ATOM 0 HG3 LYS C 28 12.136 24.962 6.001 1.00 0.00 H new ATOM 0 HD2 LYS C 28 10.353 24.761 7.431 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.323 23.574 8.280 1.00 0.00 H new ATOM 0 HE2 LYS C 28 11.335 24.949 10.100 1.00 0.00 H new ATOM 0 HE3 LYS C 28 12.289 26.098 9.183 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 10.236 27.104 9.981 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 10.234 27.048 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 9.309 25.934 9.172 1.00 0.00 H new ATOM 333 N GLY C 29 14.629 26.306 5.268 1.00 0.00 N ATOM 334 CA GLY C 29 15.019 27.744 5.242 1.00 0.00 C ATOM 335 C GLY C 29 16.032 27.977 4.120 1.00 0.00 C ATOM 336 O GLY C 29 16.172 29.072 3.613 1.00 0.00 O ATOM 0 H GLY C 29 13.998 26.013 4.522 1.00 0.00 H new ATOM 0 HA2 GLY C 29 14.139 28.368 5.087 1.00 0.00 H new ATOM 0 HA3 GLY C 29 15.449 28.033 6.201 1.00 0.00 H new ATOM 340 N GLU C 30 16.740 26.954 3.726 1.00 0.00 N ATOM 341 CA GLU C 30 17.743 27.114 2.637 1.00 0.00 C ATOM 342 C GLU C 30 17.055 26.954 1.281 1.00 0.00 C ATOM 343 O GLU C 30 16.257 26.059 1.082 1.00 0.00 O ATOM 344 CB GLU C 30 18.831 26.049 2.785 1.00 0.00 C ATOM 345 CG GLU C 30 19.715 26.046 1.536 1.00 0.00 C ATOM 346 CD GLU C 30 21.102 25.506 1.895 1.00 0.00 C ATOM 347 OE1 GLU C 30 21.376 25.371 3.075 1.00 0.00 O ATOM 348 OE2 GLU C 30 21.864 25.237 0.981 1.00 0.00 O ATOM 0 H GLU C 30 16.666 26.013 4.112 1.00 0.00 H new ATOM 0 HA GLU C 30 18.193 28.105 2.701 1.00 0.00 H new ATOM 0 HB2 GLU C 30 19.434 26.251 3.670 1.00 0.00 H new ATOM 0 HB3 GLU C 30 18.378 25.068 2.925 1.00 0.00 H new ATOM 0 HG2 GLU C 30 19.263 25.430 0.759 1.00 0.00 H new ATOM 0 HG3 GLU C 30 19.799 27.056 1.134 1.00 0.00 H new ATOM 355 N ARG C 31 17.356 27.813 0.346 1.00 0.00 N ATOM 356 CA ARG C 31 16.717 27.706 -0.995 1.00 0.00 C ATOM 357 C ARG C 31 17.643 26.937 -1.941 1.00 0.00 C ATOM 358 O ARG C 31 18.815 26.765 -1.672 1.00 0.00 O ATOM 359 CB ARG C 31 16.468 29.107 -1.554 1.00 0.00 C ATOM 360 CG ARG C 31 15.528 29.867 -0.616 1.00 0.00 C ATOM 361 CD ARG C 31 16.262 31.075 -0.028 1.00 0.00 C ATOM 362 NE ARG C 31 15.319 31.868 0.810 1.00 0.00 N ATOM 363 CZ ARG C 31 15.602 33.103 1.126 1.00 0.00 C ATOM 364 NH1 ARG C 31 16.714 33.648 0.712 1.00 0.00 N ATOM 365 NH2 ARG C 31 14.773 33.793 1.860 1.00 0.00 N ATOM 0 H ARG C 31 18.016 28.583 0.453 1.00 0.00 H new ATOM 0 HA ARG C 31 15.768 27.177 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.411 29.644 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.031 29.041 -2.550 1.00 0.00 H new ATOM 0 HG2 ARG C 31 14.642 30.195 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG C 31 15.186 29.211 0.184 1.00 0.00 H new ATOM 0 HD2 ARG C 31 17.108 30.743 0.573 1.00 0.00 H new ATOM 0 HD3 ARG C 31 16.664 31.695 -0.829 1.00 0.00 H new ATOM 0 HE ARG C 31 14.450 31.445 1.138 1.00 0.00 H new ATOM 0 HH11 ARG C 31 17.364 33.109 0.140 1.00 0.00 H new ATOM 0 HH12 ARG C 31 16.932 34.613 0.960 1.00 0.00 H new ATOM 0 HH21 ARG C 31 13.905 33.368 2.186 1.00 0.00 H new ATOM 0 HH22 ARG C 31 14.993 34.758 2.108 1.00 0.00 H new ATOM 379 N LEU C 32 17.125 26.473 -3.045 1.00 0.00 N ATOM 380 CA LEU C 32 17.978 25.715 -4.006 1.00 0.00 C ATOM 381 C LEU C 32 17.516 26.000 -5.435 1.00 0.00 C ATOM 382 O LEU C 32 16.459 26.556 -5.656 1.00 0.00 O ATOM 383 CB LEU C 32 17.860 24.217 -3.721 1.00 0.00 C ATOM 384 CG LEU C 32 18.469 23.908 -2.353 1.00 0.00 C ATOM 385 CD1 LEU C 32 17.351 23.746 -1.321 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.279 22.612 -2.435 1.00 0.00 C ATOM 0 H LEU C 32 16.150 26.585 -3.324 1.00 0.00 H new ATOM 0 HA LEU C 32 19.016 26.026 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU C 32 16.813 23.914 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU C 32 18.373 23.647 -4.496 1.00 0.00 H new ATOM 0 HG LEU C 32 19.123 24.727 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU C 32 17.785 23.526 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU C 32 16.774 24.669 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU C 32 16.696 22.928 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU C 32 19.713 22.392 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU C 32 18.625 21.793 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.076 22.727 -3.169 1.00 0.00 H new ATOM 398 N GLN C 33 18.298 25.623 -6.410 1.00 0.00 N ATOM 399 CA GLN C 33 17.898 25.874 -7.824 1.00 0.00 C ATOM 400 C GLN C 33 17.462 24.560 -8.474 1.00 0.00 C ATOM 401 O GLN C 33 18.276 23.731 -8.828 1.00 0.00 O ATOM 402 CB GLN C 33 19.086 26.453 -8.594 1.00 0.00 C ATOM 403 CG GLN C 33 18.654 27.735 -9.309 1.00 0.00 C ATOM 404 CD GLN C 33 19.839 28.308 -10.088 1.00 0.00 C ATOM 405 OE1 GLN C 33 20.539 29.175 -9.602 1.00 0.00 O ATOM 406 NE2 GLN C 33 20.097 27.859 -11.286 1.00 0.00 N ATOM 0 H GLN C 33 19.195 25.153 -6.289 1.00 0.00 H new ATOM 0 HA GLN C 33 17.069 26.582 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.908 26.665 -7.910 1.00 0.00 H new ATOM 0 HB3 GLN C 33 19.453 25.726 -9.318 1.00 0.00 H new ATOM 0 HG2 GLN C 33 17.827 27.525 -9.987 1.00 0.00 H new ATOM 0 HG3 GLN C 33 18.294 28.465 -8.584 1.00 0.00 H new ATOM 0 HE21 GLN C 33 19.511 27.132 -11.695 1.00 0.00 H new ATOM 0 HE22 GLN C 33 20.885 28.236 -11.813 1.00 0.00 H new ATOM 415 N ILE C 34 16.182 24.360 -8.634 1.00 0.00 N ATOM 416 CA ILE C 34 15.699 23.098 -9.261 1.00 0.00 C ATOM 417 C ILE C 34 16.324 22.951 -10.650 1.00 0.00 C ATOM 418 O ILE C 34 16.759 23.914 -11.249 1.00 0.00 O ATOM 419 CB ILE C 34 14.174 23.140 -9.388 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.548 23.159 -7.994 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.691 21.900 -10.145 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.017 21.932 -7.207 1.00 0.00 C ATOM 0 H ILE C 34 15.451 25.016 -8.358 1.00 0.00 H new ATOM 0 HA ILE C 34 15.986 22.249 -8.640 1.00 0.00 H new ATOM 0 HB ILE C 34 13.879 24.037 -9.932 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.831 24.071 -7.469 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.461 23.161 -8.072 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.605 21.929 -10.236 1.00 0.00 H new ATOM 0 HG22 ILE C 34 14.138 21.883 -11.139 1.00 0.00 H new ATOM 0 HG23 ILE C 34 13.986 21.003 -9.600 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.571 21.945 -6.213 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.711 21.026 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.103 21.951 -7.117 1.00 0.00 H new ATOM 434 N VAL C 35 16.373 21.754 -11.167 1.00 0.00 N ATOM 435 CA VAL C 35 16.971 21.551 -12.517 1.00 0.00 C ATOM 436 C VAL C 35 15.905 21.019 -13.475 1.00 0.00 C ATOM 437 O VAL C 35 15.856 21.389 -14.632 1.00 0.00 O ATOM 438 CB VAL C 35 18.118 20.544 -12.417 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.684 20.276 -13.814 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.219 21.116 -11.522 1.00 0.00 C ATOM 0 H VAL C 35 16.025 20.909 -10.714 1.00 0.00 H new ATOM 0 HA VAL C 35 17.352 22.501 -12.893 1.00 0.00 H new ATOM 0 HB VAL C 35 17.749 19.612 -11.990 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.502 19.558 -13.744 1.00 0.00 H new ATOM 0 HG12 VAL C 35 17.899 19.871 -14.453 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.055 21.208 -14.241 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.038 20.400 -11.449 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.589 22.048 -11.950 1.00 0.00 H new ATOM 0 HG23 VAL C 35 18.816 21.309 -10.528 1.00 0.00 H new ATOM 450 N ASN C 36 15.054 20.154 -13.004 1.00 0.00 N ATOM 451 CA ASN C 36 13.991 19.597 -13.885 1.00 0.00 C ATOM 452 C ASN C 36 13.119 18.630 -13.084 1.00 0.00 C ATOM 453 O ASN C 36 13.610 17.810 -12.333 1.00 0.00 O ATOM 454 CB ASN C 36 14.637 18.852 -15.056 1.00 0.00 C ATOM 455 CG ASN C 36 13.561 18.479 -16.077 1.00 0.00 C ATOM 456 OD1 ASN C 36 12.714 17.650 -15.811 1.00 0.00 O ATOM 457 ND2 ASN C 36 13.557 19.063 -17.245 1.00 0.00 N ATOM 0 H ASN C 36 15.048 19.807 -12.045 1.00 0.00 H new ATOM 0 HA ASN C 36 13.374 20.410 -14.268 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.397 19.477 -15.524 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.140 17.954 -14.697 1.00 0.00 H new ATOM 0 HD21 ASN C 36 12.843 18.823 -17.933 1.00 0.00 H new ATOM 0 HD22 ASN C 36 14.268 19.759 -17.469 1.00 0.00 H new ATOM 464 N ASN C 37 11.826 18.719 -13.236 1.00 0.00 N ATOM 465 CA ASN C 37 10.924 17.804 -12.483 1.00 0.00 C ATOM 466 C ASN C 37 10.457 16.676 -13.405 1.00 0.00 C ATOM 467 O ASN C 37 9.507 16.823 -14.150 1.00 0.00 O ATOM 468 CB ASN C 37 9.709 18.589 -11.980 1.00 0.00 C ATOM 469 CG ASN C 37 10.097 19.392 -10.737 1.00 0.00 C ATOM 470 OD1 ASN C 37 9.245 19.784 -9.964 1.00 0.00 O ATOM 471 ND2 ASN C 37 11.355 19.658 -10.508 1.00 0.00 N ATOM 0 H ASN C 37 11.356 19.385 -13.849 1.00 0.00 H new ATOM 0 HA ASN C 37 11.460 17.380 -11.634 1.00 0.00 H new ATOM 0 HB2 ASN C 37 9.348 19.259 -12.760 1.00 0.00 H new ATOM 0 HB3 ASN C 37 8.894 17.905 -11.744 1.00 0.00 H new ATOM 0 HD21 ASN C 37 11.621 20.194 -9.682 1.00 0.00 H new ATOM 0 HD22 ASN C 37 12.072 19.330 -11.155 1.00 0.00 H new ATOM 478 N THR C 38 11.116 15.552 -13.363 1.00 0.00 N ATOM 479 CA THR C 38 10.708 14.416 -14.239 1.00 0.00 C ATOM 480 C THR C 38 10.046 13.331 -13.392 1.00 0.00 C ATOM 481 O THR C 38 8.908 12.965 -13.611 1.00 0.00 O ATOM 482 CB THR C 38 11.935 13.832 -14.954 1.00 0.00 C ATOM 483 OG1 THR C 38 11.797 12.420 -15.046 1.00 0.00 O ATOM 484 CG2 THR C 38 13.212 14.168 -14.178 1.00 0.00 C ATOM 0 H THR C 38 11.919 15.370 -12.761 1.00 0.00 H new ATOM 0 HA THR C 38 10.002 14.779 -14.986 1.00 0.00 H new ATOM 0 HB THR C 38 12.004 14.265 -15.952 1.00 0.00 H new ATOM 0 HG1 THR C 38 12.578 12.044 -15.503 1.00 0.00 H new ATOM 0 HG21 THR C 38 14.074 13.748 -14.696 1.00 0.00 H new ATOM 0 HG22 THR C 38 13.322 15.250 -14.109 1.00 0.00 H new ATOM 0 HG23 THR C 38 13.150 13.745 -13.175 1.00 0.00 H new ATOM 492 N GLU C 39 10.749 12.814 -12.427 1.00 0.00 N ATOM 493 CA GLU C 39 10.166 11.755 -11.564 1.00 0.00 C ATOM 494 C GLU C 39 8.956 12.319 -10.817 1.00 0.00 C ATOM 495 O GLU C 39 8.455 13.377 -11.141 1.00 0.00 O ATOM 496 CB GLU C 39 11.224 11.291 -10.562 1.00 0.00 C ATOM 497 CG GLU C 39 12.247 10.404 -11.274 1.00 0.00 C ATOM 498 CD GLU C 39 13.656 10.767 -10.798 1.00 0.00 C ATOM 499 OE1 GLU C 39 14.096 10.190 -9.816 1.00 0.00 O ATOM 500 OE2 GLU C 39 14.271 11.616 -11.422 1.00 0.00 O ATOM 0 H GLU C 39 11.707 13.081 -12.198 1.00 0.00 H new ATOM 0 HA GLU C 39 9.848 10.910 -12.175 1.00 0.00 H new ATOM 0 HB2 GLU C 39 11.721 12.153 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU C 39 10.753 10.740 -9.748 1.00 0.00 H new ATOM 0 HG2 GLU C 39 12.041 9.354 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU C 39 12.171 10.537 -12.353 1.00 0.00 H new ATOM 507 N GLY C 40 8.480 11.624 -9.820 1.00 0.00 N ATOM 508 CA GLY C 40 7.302 12.130 -9.061 1.00 0.00 C ATOM 509 C GLY C 40 7.696 12.377 -7.603 1.00 0.00 C ATOM 510 O GLY C 40 6.891 12.805 -6.799 1.00 0.00 O ATOM 0 H GLY C 40 8.854 10.731 -9.499 1.00 0.00 H new ATOM 0 HA2 GLY C 40 6.937 13.053 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY C 40 6.487 11.407 -9.110 1.00 0.00 H new ATOM 514 N ASP C 41 8.925 12.114 -7.252 1.00 0.00 N ATOM 515 CA ASP C 41 9.358 12.337 -5.844 1.00 0.00 C ATOM 516 C ASP C 41 10.881 12.468 -5.785 1.00 0.00 C ATOM 517 O ASP C 41 11.486 12.280 -4.750 1.00 0.00 O ATOM 518 CB ASP C 41 8.921 11.152 -4.980 1.00 0.00 C ATOM 519 CG ASP C 41 7.465 10.798 -5.294 1.00 0.00 C ATOM 520 OD1 ASP C 41 7.239 10.133 -6.291 1.00 0.00 O ATOM 521 OD2 ASP C 41 6.602 11.198 -4.531 1.00 0.00 O ATOM 0 H ASP C 41 9.646 11.755 -7.878 1.00 0.00 H new ATOM 0 HA ASP C 41 8.900 13.253 -5.471 1.00 0.00 H new ATOM 0 HB2 ASP C 41 9.564 10.293 -5.171 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.026 11.400 -3.924 1.00 0.00 H new ATOM 526 N TRP C 42 11.509 12.791 -6.882 1.00 0.00 N ATOM 527 CA TRP C 42 12.992 12.928 -6.864 1.00 0.00 C ATOM 528 C TRP C 42 13.458 13.764 -8.060 1.00 0.00 C ATOM 529 O TRP C 42 13.289 13.383 -9.202 1.00 0.00 O ATOM 530 CB TRP C 42 13.628 11.540 -6.930 1.00 0.00 C ATOM 531 CG TRP C 42 13.624 10.917 -5.532 1.00 0.00 C ATOM 532 CD1 TRP C 42 12.938 9.816 -5.180 1.00 0.00 C ATOM 533 CD2 TRP C 42 14.294 11.391 -4.486 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.234 9.664 -3.887 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.072 10.601 -3.374 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.116 12.494 -4.396 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.674 10.919 -2.172 1.00 0.00 C ATOM 538 CZ3 TRP C 42 15.717 12.811 -3.195 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.497 12.024 -2.083 1.00 0.00 C ATOM 0 H TRP C 42 11.064 12.965 -7.783 1.00 0.00 H new ATOM 0 HA TRP C 42 13.295 13.428 -5.944 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.076 10.907 -7.625 1.00 0.00 H new ATOM 0 HB3 TRP C 42 14.649 11.612 -7.306 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.299 9.201 -5.796 1.00 0.00 H new ATOM 0 HE1 TRP C 42 12.858 8.900 -3.326 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.290 13.110 -5.266 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.501 10.303 -1.302 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.360 13.676 -3.125 1.00 0.00 H new ATOM 0 HH2 TRP C 42 15.968 12.272 -1.144 1.00 0.00 H new ATOM 550 N TRP C 43 14.046 14.900 -7.803 1.00 0.00 N ATOM 551 CA TRP C 43 14.527 15.767 -8.916 1.00 0.00 C ATOM 552 C TRP C 43 15.992 16.136 -8.665 1.00 0.00 C ATOM 553 O TRP C 43 16.510 15.948 -7.583 1.00 0.00 O ATOM 554 CB TRP C 43 13.693 17.050 -8.973 1.00 0.00 C ATOM 555 CG TRP C 43 12.209 16.702 -9.099 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.717 15.637 -9.753 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.213 17.422 -8.586 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.396 15.760 -9.604 1.00 0.00 N ATOM 559 CE2 TRP C 43 9.995 16.844 -8.889 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.260 18.586 -7.846 1.00 0.00 C ATOM 561 CZ2 TRP C 43 8.826 17.433 -8.451 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.090 19.174 -7.409 1.00 0.00 C ATOM 563 CH2 TRP C 43 8.873 18.597 -7.711 1.00 0.00 C ATOM 0 H TRP C 43 14.215 15.267 -6.866 1.00 0.00 H new ATOM 0 HA TRP C 43 14.431 15.230 -9.860 1.00 0.00 H new ATOM 0 HB2 TRP C 43 13.861 17.643 -8.074 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.006 17.660 -9.821 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.261 14.864 -10.276 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.736 15.089 -9.998 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.212 19.037 -7.609 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 7.873 16.982 -8.688 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.127 20.085 -6.831 1.00 0.00 H new ATOM 0 HH2 TRP C 43 7.958 19.056 -7.368 1.00 0.00 H new ATOM 574 N LEU C 44 16.663 16.659 -9.654 1.00 0.00 N ATOM 575 CA LEU C 44 18.091 17.038 -9.462 1.00 0.00 C ATOM 576 C LEU C 44 18.168 18.536 -9.172 1.00 0.00 C ATOM 577 O LEU C 44 17.650 19.346 -9.914 1.00 0.00 O ATOM 578 CB LEU C 44 18.882 16.718 -10.731 1.00 0.00 C ATOM 579 CG LEU C 44 20.372 16.959 -10.475 1.00 0.00 C ATOM 580 CD1 LEU C 44 21.194 16.266 -11.562 1.00 0.00 C ATOM 581 CD2 LEU C 44 20.659 18.462 -10.502 1.00 0.00 C ATOM 0 H LEU C 44 16.286 16.840 -10.584 1.00 0.00 H new ATOM 0 HA LEU C 44 18.515 16.478 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.715 15.682 -11.025 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.537 17.343 -11.555 1.00 0.00 H new ATOM 0 HG LEU C 44 20.642 16.555 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.255 16.437 -11.380 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.991 15.195 -11.545 1.00 0.00 H new ATOM 0 HD13 LEU C 44 20.923 16.671 -12.537 1.00 0.00 H new ATOM 0 HD21 LEU C 44 21.720 18.633 -10.320 1.00 0.00 H new ATOM 0 HD22 LEU C 44 20.389 18.867 -11.477 1.00 0.00 H new ATOM 0 HD23 LEU C 44 20.073 18.958 -9.728 1.00 0.00 H new ATOM 593 N ALA C 45 18.806 18.918 -8.100 1.00 0.00 N ATOM 594 CA ALA C 45 18.903 20.369 -7.782 1.00 0.00 C ATOM 595 C ALA C 45 20.369 20.789 -7.672 1.00 0.00 C ATOM 596 O ALA C 45 21.247 19.981 -7.443 1.00 0.00 O ATOM 597 CB ALA C 45 18.190 20.648 -6.459 1.00 0.00 C ATOM 0 H ALA C 45 19.261 18.293 -7.435 1.00 0.00 H new ATOM 0 HA ALA C 45 18.431 20.940 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.260 21.710 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA C 45 17.141 20.364 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.660 20.069 -5.664 1.00 0.00 H new ATOM 603 N HIS C 46 20.634 22.057 -7.831 1.00 0.00 N ATOM 604 CA HIS C 46 22.033 22.556 -7.740 1.00 0.00 C ATOM 605 C HIS C 46 22.083 23.708 -6.726 1.00 0.00 C ATOM 606 O HIS C 46 21.327 24.655 -6.810 1.00 0.00 O ATOM 607 CB HIS C 46 22.479 23.026 -9.137 1.00 0.00 C ATOM 608 CG HIS C 46 23.436 24.221 -9.040 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.697 24.140 -8.932 1.00 0.00 N ATOM 610 CD2 HIS C 46 23.166 25.577 -9.062 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.221 25.307 -8.886 1.00 0.00 C ATOM 612 NE2 HIS C 46 24.313 26.267 -8.964 1.00 0.00 N ATOM 0 H HIS C 46 19.934 22.774 -8.022 1.00 0.00 H new ATOM 0 HA HIS C 46 22.708 21.769 -7.404 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.969 22.205 -9.660 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.605 23.303 -9.727 1.00 0.00 H new ATOM 0 HD2 HIS C 46 22.182 26.014 -9.145 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.282 25.488 -8.794 1.00 0.00 H new ATOM 0 HE2 HIS C 46 24.451 27.278 -8.953 1.00 0.00 H new ATOM 620 N SER C 47 22.967 23.628 -5.768 1.00 0.00 N ATOM 621 CA SER C 47 23.069 24.713 -4.750 1.00 0.00 C ATOM 622 C SER C 47 23.629 25.979 -5.399 1.00 0.00 C ATOM 623 O SER C 47 23.741 26.073 -6.605 1.00 0.00 O ATOM 624 CB SER C 47 23.999 24.267 -3.620 1.00 0.00 C ATOM 625 OG SER C 47 23.249 23.567 -2.637 1.00 0.00 O ATOM 0 H SER C 47 23.624 22.857 -5.646 1.00 0.00 H new ATOM 0 HA SER C 47 22.078 24.922 -4.347 1.00 0.00 H new ATOM 0 HB2 SER C 47 24.788 23.627 -4.015 1.00 0.00 H new ATOM 0 HB3 SER C 47 24.486 25.133 -3.172 1.00 0.00 H new ATOM 0 HG SER C 47 23.845 23.280 -1.914 1.00 0.00 H new ATOM 631 N LEU C 48 23.983 26.956 -4.608 1.00 0.00 N ATOM 632 CA LEU C 48 24.537 28.216 -5.180 1.00 0.00 C ATOM 633 C LEU C 48 25.906 28.505 -4.562 1.00 0.00 C ATOM 634 O LEU C 48 26.630 29.370 -5.014 1.00 0.00 O ATOM 635 CB LEU C 48 23.586 29.373 -4.872 1.00 0.00 C ATOM 636 CG LEU C 48 22.159 28.979 -5.253 1.00 0.00 C ATOM 637 CD1 LEU C 48 21.208 30.136 -4.938 1.00 0.00 C ATOM 638 CD2 LEU C 48 22.100 28.665 -6.750 1.00 0.00 C ATOM 0 H LEU C 48 23.912 26.936 -3.591 1.00 0.00 H new ATOM 0 HA LEU C 48 24.645 28.107 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU C 48 23.634 29.624 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU C 48 23.888 30.263 -5.425 1.00 0.00 H new ATOM 0 HG LEU C 48 21.861 28.099 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU C 48 20.191 29.855 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU C 48 21.250 30.362 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU C 48 21.505 31.017 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU C 48 21.083 28.384 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU C 48 22.398 29.546 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU C 48 22.777 27.841 -6.976 1.00 0.00 H new ATOM 650 N THR C 49 26.270 27.790 -3.533 1.00 0.00 N ATOM 651 CA THR C 49 27.595 28.029 -2.891 1.00 0.00 C ATOM 652 C THR C 49 28.696 27.394 -3.742 1.00 0.00 C ATOM 653 O THR C 49 29.367 28.062 -4.505 1.00 0.00 O ATOM 654 CB THR C 49 27.607 27.408 -1.492 1.00 0.00 C ATOM 655 OG1 THR C 49 26.327 26.862 -1.203 1.00 0.00 O ATOM 656 CG2 THR C 49 27.948 28.483 -0.459 1.00 0.00 C ATOM 0 H THR C 49 25.709 27.051 -3.109 1.00 0.00 H new ATOM 0 HA THR C 49 27.771 29.102 -2.811 1.00 0.00 H new ATOM 0 HB THR C 49 28.356 26.617 -1.454 1.00 0.00 H new ATOM 0 HG1 THR C 49 26.336 26.463 -0.308 1.00 0.00 H new ATOM 0 HG21 THR C 49 27.956 28.041 0.537 1.00 0.00 H new ATOM 0 HG22 THR C 49 28.931 28.900 -0.679 1.00 0.00 H new ATOM 0 HG23 THR C 49 27.200 29.275 -0.498 1.00 0.00 H new ATOM 664 N THR C 50 28.890 26.109 -3.619 1.00 0.00 N ATOM 665 CA THR C 50 29.949 25.436 -4.422 1.00 0.00 C ATOM 666 C THR C 50 29.356 24.957 -5.747 1.00 0.00 C ATOM 667 O THR C 50 30.034 24.888 -6.753 1.00 0.00 O ATOM 668 CB THR C 50 30.490 24.234 -3.644 1.00 0.00 C ATOM 669 OG1 THR C 50 29.924 24.223 -2.340 1.00 0.00 O ATOM 670 CG2 THR C 50 32.012 24.335 -3.540 1.00 0.00 C ATOM 0 H THR C 50 28.361 25.497 -2.998 1.00 0.00 H new ATOM 0 HA THR C 50 30.759 26.139 -4.618 1.00 0.00 H new ATOM 0 HB THR C 50 30.224 23.314 -4.164 1.00 0.00 H new ATOM 0 HG1 THR C 50 30.268 23.453 -1.841 1.00 0.00 H new ATOM 0 HG21 THR C 50 32.396 23.479 -2.986 1.00 0.00 H new ATOM 0 HG22 THR C 50 32.445 24.344 -4.540 1.00 0.00 H new ATOM 0 HG23 THR C 50 32.281 25.254 -3.020 1.00 0.00 H new ATOM 678 N GLY C 51 28.096 24.626 -5.755 1.00 0.00 N ATOM 679 CA GLY C 51 27.457 24.153 -7.013 1.00 0.00 C ATOM 680 C GLY C 51 27.406 22.625 -7.012 1.00 0.00 C ATOM 681 O GLY C 51 27.299 21.996 -8.046 1.00 0.00 O ATOM 0 H GLY C 51 27.480 24.663 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY C 51 26.450 24.562 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY C 51 28.020 24.509 -7.876 1.00 0.00 H new ATOM 685 N GLN C 52 27.481 22.022 -5.857 1.00 0.00 N ATOM 686 CA GLN C 52 27.436 20.536 -5.792 1.00 0.00 C ATOM 687 C GLN C 52 26.046 20.049 -6.208 1.00 0.00 C ATOM 688 O GLN C 52 25.039 20.523 -5.722 1.00 0.00 O ATOM 689 CB GLN C 52 27.731 20.075 -4.363 1.00 0.00 C ATOM 690 CG GLN C 52 29.067 19.329 -4.334 1.00 0.00 C ATOM 691 CD GLN C 52 29.729 19.521 -2.969 1.00 0.00 C ATOM 692 OE1 GLN C 52 30.023 18.561 -2.282 1.00 0.00 O ATOM 693 NE2 GLN C 52 29.980 20.728 -2.541 1.00 0.00 N ATOM 0 H GLN C 52 27.571 22.494 -4.957 1.00 0.00 H new ATOM 0 HA GLN C 52 28.185 20.122 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.767 20.934 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN C 52 26.932 19.425 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN C 52 28.907 18.268 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN C 52 29.721 19.701 -5.123 1.00 0.00 H new ATOM 0 HE21 GLN C 52 29.734 21.534 -3.116 1.00 0.00 H new ATOM 0 HE22 GLN C 52 30.422 20.865 -1.632 1.00 0.00 H new ATOM 702 N THR C 53 25.987 19.105 -7.106 1.00 0.00 N ATOM 703 CA THR C 53 24.666 18.584 -7.558 1.00 0.00 C ATOM 704 C THR C 53 24.182 17.513 -6.579 1.00 0.00 C ATOM 705 O THR C 53 24.960 16.740 -6.055 1.00 0.00 O ATOM 706 CB THR C 53 24.815 17.972 -8.954 1.00 0.00 C ATOM 707 OG1 THR C 53 24.974 19.011 -9.909 1.00 0.00 O ATOM 708 CG2 THR C 53 23.569 17.152 -9.293 1.00 0.00 C ATOM 0 H THR C 53 26.798 18.671 -7.547 1.00 0.00 H new ATOM 0 HA THR C 53 23.942 19.398 -7.593 1.00 0.00 H new ATOM 0 HB THR C 53 25.689 17.321 -8.973 1.00 0.00 H new ATOM 0 HG1 THR C 53 25.071 18.622 -10.803 1.00 0.00 H new ATOM 0 HG21 THR C 53 23.678 16.718 -10.287 1.00 0.00 H new ATOM 0 HG22 THR C 53 23.448 16.354 -8.560 1.00 0.00 H new ATOM 0 HG23 THR C 53 22.692 17.799 -9.274 1.00 0.00 H new ATOM 716 N GLY C 54 22.903 17.457 -6.329 1.00 0.00 N ATOM 717 CA GLY C 54 22.375 16.433 -5.383 1.00 0.00 C ATOM 718 C GLY C 54 20.884 16.210 -5.649 1.00 0.00 C ATOM 719 O GLY C 54 20.107 17.143 -5.698 1.00 0.00 O ATOM 0 H GLY C 54 22.202 18.074 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY C 54 22.920 15.497 -5.503 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.526 16.761 -4.355 1.00 0.00 H new ATOM 723 N TYR C 55 20.480 14.981 -5.820 1.00 0.00 N ATOM 724 CA TYR C 55 19.046 14.697 -6.081 1.00 0.00 C ATOM 725 C TYR C 55 18.228 15.001 -4.822 1.00 0.00 C ATOM 726 O TYR C 55 18.267 14.268 -3.855 1.00 0.00 O ATOM 727 CB TYR C 55 18.892 13.220 -6.446 1.00 0.00 C ATOM 728 CG TYR C 55 19.676 12.922 -7.726 1.00 0.00 C ATOM 729 CD1 TYR C 55 19.572 13.753 -8.823 1.00 0.00 C ATOM 730 CD2 TYR C 55 20.498 11.817 -7.801 1.00 0.00 C ATOM 731 CE1 TYR C 55 20.278 13.481 -9.978 1.00 0.00 C ATOM 732 CE2 TYR C 55 21.204 11.545 -8.956 1.00 0.00 C ATOM 733 CZ TYR C 55 21.099 12.376 -10.053 1.00 0.00 C ATOM 734 OH TYR C 55 21.806 12.103 -11.206 1.00 0.00 O ATOM 0 H TYR C 55 21.085 14.161 -5.790 1.00 0.00 H new ATOM 0 HA TYR C 55 18.688 15.320 -6.901 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.255 12.594 -5.631 1.00 0.00 H new ATOM 0 HB3 TYR C 55 17.839 12.978 -6.588 1.00 0.00 H new ATOM 0 HD1 TYR C 55 18.933 14.623 -8.778 1.00 0.00 H new ATOM 0 HD2 TYR C 55 20.590 11.159 -6.949 1.00 0.00 H new ATOM 0 HE1 TYR C 55 20.186 14.139 -10.829 1.00 0.00 H new ATOM 0 HE2 TYR C 55 21.843 10.676 -9.001 1.00 0.00 H new ATOM 0 HH TYR C 55 22.334 11.287 -11.081 1.00 0.00 H new ATOM 744 N ILE C 56 17.488 16.077 -4.826 1.00 0.00 N ATOM 745 CA ILE C 56 16.672 16.423 -3.627 1.00 0.00 C ATOM 746 C ILE C 56 15.270 15.817 -3.769 1.00 0.00 C ATOM 747 O ILE C 56 14.718 15.792 -4.851 1.00 0.00 O ATOM 748 CB ILE C 56 16.555 17.944 -3.509 1.00 0.00 C ATOM 749 CG1 ILE C 56 16.132 18.531 -4.857 1.00 0.00 C ATOM 750 CG2 ILE C 56 17.910 18.528 -3.101 1.00 0.00 C ATOM 751 CD1 ILE C 56 15.082 19.621 -4.632 1.00 0.00 C ATOM 0 H ILE C 56 17.413 16.730 -5.606 1.00 0.00 H new ATOM 0 HA ILE C 56 17.154 16.024 -2.735 1.00 0.00 H new ATOM 0 HB ILE C 56 15.808 18.193 -2.755 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.998 18.946 -5.373 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.726 17.747 -5.496 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.829 19.612 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.212 18.111 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.656 18.278 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE C 56 14.780 20.039 -5.592 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.213 19.192 -4.134 1.00 0.00 H new ATOM 0 HD13 ILE C 56 15.504 20.410 -4.009 1.00 0.00 H new ATOM 763 N PRO C 57 14.735 15.344 -2.668 1.00 0.00 N ATOM 764 CA PRO C 57 13.394 14.733 -2.651 1.00 0.00 C ATOM 765 C PRO C 57 12.339 15.770 -3.052 1.00 0.00 C ATOM 766 O PRO C 57 12.467 16.943 -2.762 1.00 0.00 O ATOM 767 CB PRO C 57 13.184 14.283 -1.199 1.00 0.00 C ATOM 768 CG PRO C 57 14.446 14.686 -0.393 1.00 0.00 C ATOM 769 CD PRO C 57 15.421 15.373 -1.364 1.00 0.00 C ATOM 0 HA PRO C 57 13.306 13.903 -3.351 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.295 14.753 -0.778 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.028 13.205 -1.151 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.180 15.359 0.422 1.00 0.00 H new ATOM 0 HG3 PRO C 57 14.909 13.808 0.057 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.635 16.395 -1.052 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.374 14.846 -1.406 1.00 0.00 H new ATOM 777 N SER C 58 11.298 15.346 -3.716 1.00 0.00 N ATOM 778 CA SER C 58 10.239 16.308 -4.134 1.00 0.00 C ATOM 779 C SER C 58 9.291 16.570 -2.961 1.00 0.00 C ATOM 780 O SER C 58 8.600 17.568 -2.921 1.00 0.00 O ATOM 781 CB SER C 58 9.456 15.718 -5.311 1.00 0.00 C ATOM 782 OG SER C 58 8.174 15.295 -4.869 1.00 0.00 O ATOM 0 H SER C 58 11.135 14.376 -3.987 1.00 0.00 H new ATOM 0 HA SER C 58 10.698 17.248 -4.439 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.352 16.462 -6.101 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.001 14.875 -5.737 1.00 0.00 H new ATOM 0 HG SER C 58 7.619 15.069 -5.644 1.00 0.00 H new ATOM 788 N ASN C 59 9.253 15.683 -2.005 1.00 0.00 N ATOM 789 CA ASN C 59 8.348 15.883 -0.837 1.00 0.00 C ATOM 790 C ASN C 59 9.065 16.715 0.229 1.00 0.00 C ATOM 791 O ASN C 59 8.681 16.729 1.382 1.00 0.00 O ATOM 792 CB ASN C 59 7.965 14.525 -0.249 1.00 0.00 C ATOM 793 CG ASN C 59 6.639 14.062 -0.855 1.00 0.00 C ATOM 794 OD1 ASN C 59 5.623 14.709 -0.689 1.00 0.00 O ATOM 795 ND2 ASN C 59 6.604 12.963 -1.558 1.00 0.00 N ATOM 0 H ASN C 59 9.809 14.828 -1.982 1.00 0.00 H new ATOM 0 HA ASN C 59 7.448 16.405 -1.162 1.00 0.00 H new ATOM 0 HB2 ASN C 59 8.746 13.794 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN C 59 7.876 14.598 0.835 1.00 0.00 H new ATOM 0 HD21 ASN C 59 5.725 12.647 -1.968 1.00 0.00 H new ATOM 0 HD22 ASN C 59 7.456 12.420 -1.698 1.00 0.00 H new ATOM 802 N TYR C 60 10.106 17.408 -0.144 1.00 0.00 N ATOM 803 CA TYR C 60 10.844 18.236 0.848 1.00 0.00 C ATOM 804 C TYR C 60 10.977 19.667 0.326 1.00 0.00 C ATOM 805 O TYR C 60 10.978 20.615 1.084 1.00 0.00 O ATOM 806 CB TYR C 60 12.238 17.646 1.069 1.00 0.00 C ATOM 807 CG TYR C 60 12.129 16.371 1.906 1.00 0.00 C ATOM 808 CD1 TYR C 60 11.419 15.284 1.439 1.00 0.00 C ATOM 809 CD2 TYR C 60 12.739 16.290 3.140 1.00 0.00 C ATOM 810 CE1 TYR C 60 11.320 14.134 2.194 1.00 0.00 C ATOM 811 CE2 TYR C 60 12.641 15.141 3.896 1.00 0.00 C ATOM 812 CZ TYR C 60 11.931 14.054 3.429 1.00 0.00 C ATOM 813 OH TYR C 60 11.835 12.904 4.185 1.00 0.00 O ATOM 0 H TYR C 60 10.477 17.436 -1.094 1.00 0.00 H new ATOM 0 HA TYR C 60 10.296 18.243 1.790 1.00 0.00 H new ATOM 0 HB2 TYR C 60 12.706 17.424 0.110 1.00 0.00 H new ATOM 0 HB3 TYR C 60 12.875 18.372 1.575 1.00 0.00 H new ATOM 0 HD1 TYR C 60 10.937 15.334 0.474 1.00 0.00 H new ATOM 0 HD2 TYR C 60 13.298 17.133 3.517 1.00 0.00 H new ATOM 0 HE1 TYR C 60 10.761 13.291 1.816 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.124 15.092 4.861 1.00 0.00 H new ATOM 0 HH TYR C 60 10.992 12.447 3.980 1.00 0.00 H new ATOM 823 N VAL C 61 11.086 19.832 -0.963 1.00 0.00 N ATOM 824 CA VAL C 61 11.219 21.205 -1.527 1.00 0.00 C ATOM 825 C VAL C 61 9.875 21.663 -2.086 1.00 0.00 C ATOM 826 O VAL C 61 8.954 20.886 -2.241 1.00 0.00 O ATOM 827 CB VAL C 61 12.264 21.203 -2.646 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.906 20.142 -3.688 1.00 0.00 C ATOM 829 CG2 VAL C 61 12.314 22.573 -3.318 1.00 0.00 C ATOM 0 H VAL C 61 11.089 19.077 -1.649 1.00 0.00 H new ATOM 0 HA VAL C 61 11.534 21.888 -0.738 1.00 0.00 H new ATOM 0 HB VAL C 61 13.239 20.977 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.653 20.145 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL C 61 11.883 19.160 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL C 61 10.926 20.363 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL C 61 13.060 22.562 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL C 61 11.337 22.807 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.581 23.330 -2.581 1.00 0.00 H new ATOM 839 N ALA C 62 9.762 22.921 -2.387 1.00 0.00 N ATOM 840 CA ALA C 62 8.481 23.447 -2.939 1.00 0.00 C ATOM 841 C ALA C 62 8.769 24.638 -3.859 1.00 0.00 C ATOM 842 O ALA C 62 9.672 25.410 -3.603 1.00 0.00 O ATOM 843 CB ALA C 62 7.579 23.900 -1.789 1.00 0.00 C ATOM 0 H ALA C 62 10.502 23.614 -2.276 1.00 0.00 H new ATOM 0 HA ALA C 62 7.982 22.662 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.642 24.285 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.372 23.054 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA C 62 8.079 24.685 -1.221 1.00 0.00 H new ATOM 849 N PRO C 63 7.990 24.753 -4.907 1.00 0.00 N ATOM 850 CA PRO C 63 8.145 25.847 -5.883 1.00 0.00 C ATOM 851 C PRO C 63 7.887 27.197 -5.207 1.00 0.00 C ATOM 852 O PRO C 63 6.783 27.494 -4.797 1.00 0.00 O ATOM 853 CB PRO C 63 7.083 25.571 -6.956 1.00 0.00 C ATOM 854 CG PRO C 63 6.292 24.310 -6.523 1.00 0.00 C ATOM 855 CD PRO C 63 6.901 23.804 -5.205 1.00 0.00 C ATOM 0 HA PRO C 63 9.150 25.889 -6.304 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.414 26.425 -7.060 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.552 25.413 -7.927 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.237 24.548 -6.390 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.351 23.539 -7.292 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.159 23.789 -4.406 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.279 22.787 -5.308 1.00 0.00 H new ATOM 863 N SER C 64 8.895 28.016 -5.090 1.00 0.00 N ATOM 864 CA SER C 64 8.703 29.344 -4.442 1.00 0.00 C ATOM 865 C SER C 64 7.862 29.175 -3.174 1.00 0.00 C ATOM 866 O SER C 64 6.856 29.854 -3.060 1.00 0.00 O ATOM 867 CB SER C 64 7.983 30.285 -5.409 1.00 0.00 C ATOM 868 OG SER C 64 6.793 29.667 -5.875 1.00 0.00 O ATOM 869 OXT SER C 64 8.240 28.370 -2.339 1.00 0.00 O ATOM 0 H SER C 64 9.843 27.824 -5.415 1.00 0.00 H new ATOM 0 HA SER C 64 9.674 29.765 -4.182 1.00 0.00 H new ATOM 0 HB2 SER C 64 7.746 31.224 -4.910 1.00 0.00 H new ATOM 0 HB3 SER C 64 8.633 30.526 -6.250 1.00 0.00 H new ATOM 0 HG SER C 64 6.395 29.138 -5.153 1.00 0.00 H new ATOM 876 N ALA A 71 8.443 18.848 13.433 1.00 0.00 N ATOM 877 CA ALA A 71 7.759 17.693 12.789 1.00 0.00 C ATOM 878 C ALA A 71 8.804 16.681 12.311 1.00 0.00 C ATOM 879 O ALA A 71 9.973 16.988 12.198 1.00 0.00 O ATOM 880 CB ALA A 71 6.943 18.186 11.592 1.00 0.00 C ATOM 0 HA ALA A 71 7.095 17.217 13.511 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.442 17.341 11.120 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.198 18.906 11.931 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.607 18.663 10.871 1.00 0.00 H new ATOM 888 N PHE A 72 8.388 15.476 12.032 1.00 0.00 N ATOM 889 CA PHE A 72 9.352 14.442 11.561 1.00 0.00 C ATOM 890 C PHE A 72 9.300 14.360 10.035 1.00 0.00 C ATOM 891 O PHE A 72 8.247 14.459 9.436 1.00 0.00 O ATOM 892 CB PHE A 72 8.973 13.085 12.159 1.00 0.00 C ATOM 893 CG PHE A 72 10.233 12.366 12.647 1.00 0.00 C ATOM 894 CD1 PHE A 72 11.051 11.701 11.754 1.00 0.00 C ATOM 895 CD2 PHE A 72 10.564 12.367 13.991 1.00 0.00 C ATOM 896 CE1 PHE A 72 12.183 11.045 12.196 1.00 0.00 C ATOM 897 CE2 PHE A 72 11.696 11.712 14.432 1.00 0.00 C ATOM 898 CZ PHE A 72 12.505 11.052 13.535 1.00 0.00 C ATOM 0 H PHE A 72 7.420 15.163 12.110 1.00 0.00 H new ATOM 0 HA PHE A 72 10.360 14.709 11.877 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.278 13.223 12.987 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.462 12.477 11.412 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.803 11.694 10.703 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.933 12.883 14.699 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.816 10.526 11.491 1.00 0.00 H new ATOM 0 HE2 PHE A 72 11.947 11.717 15.482 1.00 0.00 H new ATOM 0 HZ PHE A 72 13.391 10.540 13.881 1.00 0.00 H new ATOM 908 N ALA A 73 10.424 14.180 9.397 1.00 0.00 N ATOM 909 CA ALA A 73 10.428 14.092 7.910 1.00 0.00 C ATOM 910 C ALA A 73 9.982 12.689 7.479 1.00 0.00 C ATOM 911 O ALA A 73 10.397 11.707 8.060 1.00 0.00 O ATOM 912 CB ALA A 73 11.842 14.359 7.387 1.00 0.00 C ATOM 0 H ALA A 73 11.338 14.090 9.841 1.00 0.00 H new ATOM 0 HA ALA A 73 9.742 14.834 7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.846 14.295 6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.161 15.355 7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.528 13.617 7.797 1.00 0.00 H new ATOM 918 N PRO A 74 9.147 12.635 6.469 1.00 0.00 N ATOM 919 CA PRO A 74 8.632 11.356 5.946 1.00 0.00 C ATOM 920 C PRO A 74 9.788 10.489 5.431 1.00 0.00 C ATOM 921 O PRO A 74 10.825 10.999 5.061 1.00 0.00 O ATOM 922 CB PRO A 74 7.695 11.750 4.796 1.00 0.00 C ATOM 923 CG PRO A 74 7.673 13.299 4.715 1.00 0.00 C ATOM 924 CD PRO A 74 8.645 13.837 5.777 1.00 0.00 C ATOM 0 HA PRO A 74 8.118 10.772 6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.043 11.323 3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.691 11.362 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.969 13.634 3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.666 13.677 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.459 14.400 5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.141 14.511 6.470 1.00 0.00 H new ATOM 932 N PRO A 75 9.570 9.199 5.424 1.00 0.00 N ATOM 933 CA PRO A 75 10.581 8.232 4.958 1.00 0.00 C ATOM 934 C PRO A 75 10.936 8.495 3.492 1.00 0.00 C ATOM 935 O PRO A 75 10.072 8.666 2.654 1.00 0.00 O ATOM 936 CB PRO A 75 9.915 6.858 5.114 1.00 0.00 C ATOM 937 CG PRO A 75 8.495 7.087 5.695 1.00 0.00 C ATOM 938 CD PRO A 75 8.302 8.600 5.881 1.00 0.00 C ATOM 0 HA PRO A 75 11.510 8.303 5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.857 6.349 4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.501 6.221 5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.738 6.685 5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.383 6.568 6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.458 8.966 5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.100 8.848 6.923 1.00 0.00 H new ATOM 946 N LEU A 76 12.203 8.525 3.175 1.00 0.00 N ATOM 947 CA LEU A 76 12.614 8.776 1.763 1.00 0.00 C ATOM 948 C LEU A 76 12.180 7.591 0.887 1.00 0.00 C ATOM 949 O LEU A 76 12.688 6.499 1.041 1.00 0.00 O ATOM 950 CB LEU A 76 14.137 8.919 1.699 1.00 0.00 C ATOM 951 CG LEU A 76 14.589 10.010 2.672 1.00 0.00 C ATOM 952 CD1 LEU A 76 16.083 10.277 2.480 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.803 11.295 2.400 1.00 0.00 C ATOM 0 H LEU A 76 12.971 8.387 3.832 1.00 0.00 H new ATOM 0 HA LEU A 76 12.142 9.690 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 76 14.613 7.971 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.447 9.170 0.685 1.00 0.00 H new ATOM 0 HG LEU A 76 14.406 9.682 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.406 11.054 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 76 16.644 9.363 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.265 10.605 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.125 12.072 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.985 11.623 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.738 11.106 2.536 1.00 0.00 H new ATOM 965 N PRO A 77 11.253 7.838 -0.009 1.00 0.00 N ATOM 966 CA PRO A 77 10.746 6.792 -0.915 1.00 0.00 C ATOM 967 C PRO A 77 11.878 6.260 -1.799 1.00 0.00 C ATOM 968 O PRO A 77 12.465 6.986 -2.577 1.00 0.00 O ATOM 969 CB PRO A 77 9.679 7.491 -1.767 1.00 0.00 C ATOM 970 CG PRO A 77 9.615 8.974 -1.320 1.00 0.00 C ATOM 971 CD PRO A 77 10.639 9.166 -0.190 1.00 0.00 C ATOM 0 HA PRO A 77 10.341 5.937 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.929 7.421 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.710 7.010 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.840 9.636 -2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.612 9.226 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.386 9.914 -0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.158 9.508 0.726 1.00 0.00 H new ATOM 979 N ARG A 78 12.187 4.997 -1.685 1.00 0.00 N ATOM 980 CA ARG A 78 13.280 4.418 -2.518 1.00 0.00 C ATOM 981 C ARG A 78 13.122 4.891 -3.965 1.00 0.00 C ATOM 982 O ARG A 78 12.032 5.175 -4.421 1.00 0.00 O ATOM 983 CB ARG A 78 13.201 2.892 -2.469 1.00 0.00 C ATOM 984 CG ARG A 78 14.615 2.306 -2.493 1.00 0.00 C ATOM 985 CD ARG A 78 15.141 2.182 -1.062 1.00 0.00 C ATOM 986 NE ARG A 78 16.608 2.444 -1.047 1.00 0.00 N ATOM 987 CZ ARG A 78 17.290 2.296 0.057 1.00 0.00 C ATOM 988 NH1 ARG A 78 16.690 1.918 1.154 1.00 0.00 N ATOM 989 NH2 ARG A 78 18.575 2.527 0.064 1.00 0.00 N ATOM 0 H ARG A 78 11.730 4.341 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 78 14.246 4.745 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.679 2.573 -1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.627 2.520 -3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.607 1.328 -2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.275 2.945 -3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.628 2.891 -0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.935 1.185 -0.673 1.00 0.00 H new ATOM 0 HE ARG A 78 17.081 2.740 -1.901 1.00 0.00 H new ATOM 0 HH11 ARG A 78 15.686 1.738 1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.225 1.803 2.015 1.00 0.00 H new ATOM 0 HH21 ARG A 78 19.045 2.823 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.109 2.412 0.925 1.00 0.00 H new ATOM 1003 N ARG A 79 14.202 4.977 -4.693 1.00 0.00 N ATOM 1004 CA ARG A 79 14.113 5.431 -6.109 1.00 0.00 C ATOM 1005 C ARG A 79 13.344 4.393 -6.929 1.00 0.00 C ATOM 1006 O ARG A 79 12.437 4.786 -7.646 1.00 0.00 O ATOM 1007 CB ARG A 79 15.521 5.594 -6.684 1.00 0.00 C ATOM 1008 CG ARG A 79 16.358 6.466 -5.747 1.00 0.00 C ATOM 1009 CD ARG A 79 17.050 7.565 -6.557 1.00 0.00 C ATOM 1010 NE ARG A 79 18.465 7.697 -6.108 1.00 0.00 N ATOM 1011 CZ ARG A 79 18.739 8.266 -4.964 1.00 0.00 C ATOM 1012 NH1 ARG A 79 17.776 8.723 -4.210 1.00 0.00 N ATOM 1013 NH2 ARG A 79 19.979 8.380 -4.575 1.00 0.00 N ATOM 1014 OXT ARG A 79 13.674 3.223 -6.828 1.00 0.00 O ATOM 0 H ARG A 79 15.142 4.752 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 79 13.592 6.387 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 79 15.991 4.618 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 79 15.471 6.049 -7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 79 15.722 6.910 -4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 79 17.100 5.857 -5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 79 17.015 7.325 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 79 16.526 8.512 -6.427 1.00 0.00 H new ATOM 0 HE ARG A 79 19.221 7.343 -6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.806 8.636 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.994 9.167 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 79 20.733 8.025 -5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 79 20.195 8.824 -3.682 1.00 0.00 H new