USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 SER OG : rot -180:sc= 0.606 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0715 K(o=-0.072,f=-0.76) USER MOD Single : A 16 TYR OH : rot -30:sc= -2.37 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 0.961 (180deg=0.753) USER MOD Single : A 37 GLN : amide:sc= -3.81 K(o=-3.8,f=-4.5!) USER MOD Single : A 41 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.15) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 18:sc= 0.0532! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.812 -13.290 -1.629 1.00 0.00 N ATOM 2 CA GLY A 1 -19.466 -13.823 -1.717 1.00 0.00 C ATOM 3 C GLY A 1 -18.931 -14.273 -0.371 1.00 0.00 C ATOM 4 O GLY A 1 -19.413 -15.251 0.200 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.132 -12.997 -2.574 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.452 -14.022 -1.259 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.819 -12.469 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.457 -14.666 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.804 -13.063 -2.132 1.00 0.00 H new ATOM 8 N SER A 2 -17.931 -13.559 0.135 1.00 0.00 N ATOM 9 CA SER A 2 -17.327 -13.893 1.419 1.00 0.00 C ATOM 10 C SER A 2 -16.787 -15.320 1.410 1.00 0.00 C ATOM 11 O SER A 2 -16.948 -16.062 2.379 1.00 0.00 O ATOM 12 CB SER A 2 -18.348 -13.729 2.546 1.00 0.00 C ATOM 13 OG SER A 2 -18.859 -12.408 2.583 1.00 0.00 O ATOM 0 H SER A 2 -17.522 -12.746 -0.325 1.00 0.00 H new ATOM 0 HA SER A 2 -16.496 -13.209 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.166 -14.435 2.405 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.881 -13.969 3.501 1.00 0.00 H new ATOM 0 HG SER A 2 -19.511 -12.330 3.311 1.00 0.00 H new ATOM 19 N SER A 3 -16.145 -15.696 0.309 1.00 0.00 N ATOM 20 CA SER A 3 -15.584 -17.035 0.170 1.00 0.00 C ATOM 21 C SER A 3 -14.643 -17.352 1.329 1.00 0.00 C ATOM 22 O SER A 3 -14.705 -18.430 1.917 1.00 0.00 O ATOM 23 CB SER A 3 -14.837 -17.163 -1.159 1.00 0.00 C ATOM 24 OG SER A 3 -15.726 -17.047 -2.256 1.00 0.00 O ATOM 0 H SER A 3 -16.000 -15.092 -0.500 1.00 0.00 H new ATOM 0 HA SER A 3 -16.406 -17.750 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.070 -16.391 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.326 -18.125 -1.201 1.00 0.00 H new ATOM 0 HG SER A 3 -15.224 -17.130 -3.094 1.00 0.00 H new ATOM 30 N GLY A 4 -13.769 -16.402 1.650 1.00 0.00 N ATOM 31 CA GLY A 4 -12.826 -16.598 2.735 1.00 0.00 C ATOM 32 C GLY A 4 -12.339 -15.288 3.323 1.00 0.00 C ATOM 33 O GLY A 4 -12.878 -14.809 4.320 1.00 0.00 O ATOM 0 H GLY A 4 -13.698 -15.501 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.297 -17.192 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.972 -17.169 2.371 1.00 0.00 H new ATOM 37 N SER A 5 -11.314 -14.709 2.705 1.00 0.00 N ATOM 38 CA SER A 5 -10.750 -13.450 3.177 1.00 0.00 C ATOM 39 C SER A 5 -10.721 -12.414 2.056 1.00 0.00 C ATOM 40 O SER A 5 -9.985 -12.561 1.080 1.00 0.00 O ATOM 41 CB SER A 5 -9.337 -13.671 3.720 1.00 0.00 C ATOM 42 OG SER A 5 -9.357 -14.498 4.870 1.00 0.00 O ATOM 0 H SER A 5 -10.858 -15.092 1.877 1.00 0.00 H new ATOM 0 HA SER A 5 -11.385 -13.074 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.715 -14.128 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.884 -12.711 3.967 1.00 0.00 H new ATOM 0 HG SER A 5 -8.442 -14.626 5.197 1.00 0.00 H new ATOM 48 N SER A 6 -11.526 -11.367 2.205 1.00 0.00 N ATOM 49 CA SER A 6 -11.596 -10.309 1.205 1.00 0.00 C ATOM 50 C SER A 6 -11.048 -8.998 1.762 1.00 0.00 C ATOM 51 O SER A 6 -11.794 -8.179 2.298 1.00 0.00 O ATOM 52 CB SER A 6 -13.039 -10.114 0.737 1.00 0.00 C ATOM 53 OG SER A 6 -13.348 -10.981 -0.340 1.00 0.00 O ATOM 0 H SER A 6 -12.139 -11.229 3.009 1.00 0.00 H new ATOM 0 HA SER A 6 -10.983 -10.607 0.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.722 -10.301 1.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.188 -9.079 0.429 1.00 0.00 H new ATOM 0 HG SER A 6 -14.276 -10.838 -0.619 1.00 0.00 H new ATOM 59 N GLY A 7 -9.739 -8.807 1.631 1.00 0.00 N ATOM 60 CA GLY A 7 -9.113 -7.595 2.125 1.00 0.00 C ATOM 61 C GLY A 7 -7.600 -7.692 2.148 1.00 0.00 C ATOM 62 O GLY A 7 -6.977 -7.753 3.208 1.00 0.00 O ATOM 0 H GLY A 7 -9.101 -9.470 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.411 -6.754 1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.476 -7.386 3.131 1.00 0.00 H new ATOM 66 N PRO A 8 -6.986 -7.708 0.956 1.00 0.00 N ATOM 67 CA PRO A 8 -5.530 -7.800 0.817 1.00 0.00 C ATOM 68 C PRO A 8 -4.823 -6.528 1.273 1.00 0.00 C ATOM 69 O PRO A 8 -5.447 -5.476 1.414 1.00 0.00 O ATOM 70 CB PRO A 8 -5.330 -8.013 -0.686 1.00 0.00 C ATOM 71 CG PRO A 8 -6.539 -7.415 -1.318 1.00 0.00 C ATOM 72 CD PRO A 8 -7.666 -7.639 -0.348 1.00 0.00 C ATOM 0 HA PRO A 8 -5.111 -8.595 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.419 -7.528 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.240 -9.072 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.394 -6.352 -1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.751 -7.886 -2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.391 -6.826 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.208 -8.559 -0.568 1.00 0.00 H new ATOM 80 N ARG A 9 -3.518 -6.631 1.501 1.00 0.00 N ATOM 81 CA ARG A 9 -2.727 -5.488 1.942 1.00 0.00 C ATOM 82 C ARG A 9 -1.283 -5.610 1.464 1.00 0.00 C ATOM 83 O ARG A 9 -0.919 -6.578 0.797 1.00 0.00 O ATOM 84 CB ARG A 9 -2.763 -5.373 3.467 1.00 0.00 C ATOM 85 CG ARG A 9 -2.119 -6.550 4.182 1.00 0.00 C ATOM 86 CD ARG A 9 -2.760 -6.797 5.538 1.00 0.00 C ATOM 87 NE ARG A 9 -4.180 -7.119 5.422 1.00 0.00 N ATOM 88 CZ ARG A 9 -4.856 -7.799 6.341 1.00 0.00 C ATOM 89 NH1 ARG A 9 -4.246 -8.226 7.438 1.00 0.00 N ATOM 90 NH2 ARG A 9 -6.146 -8.054 6.164 1.00 0.00 N ATOM 0 H ARG A 9 -2.986 -7.494 1.388 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.161 -4.588 1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.256 -4.456 3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.800 -5.284 3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.211 -7.445 3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.054 -6.360 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.243 -7.615 6.040 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.639 -5.912 6.163 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.680 -6.805 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.254 -8.033 7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.768 -8.748 8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.619 -7.728 5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.664 -8.576 6.870 1.00 0.00 H new ATOM 104 N ALA A 10 -0.465 -4.622 1.811 1.00 0.00 N ATOM 105 CA ALA A 10 0.939 -4.619 1.420 1.00 0.00 C ATOM 106 C ALA A 10 1.813 -4.012 2.512 1.00 0.00 C ATOM 107 O ALA A 10 1.318 -3.332 3.412 1.00 0.00 O ATOM 108 CB ALA A 10 1.122 -3.862 0.113 1.00 0.00 C ATOM 0 H ALA A 10 -0.751 -3.813 2.362 1.00 0.00 H new ATOM 0 HA ALA A 10 1.251 -5.653 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.176 -3.868 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.536 -4.342 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.786 -2.833 0.239 1.00 0.00 H new ATOM 114 N LYS A 11 3.115 -4.260 2.428 1.00 0.00 N ATOM 115 CA LYS A 11 4.059 -3.737 3.409 1.00 0.00 C ATOM 116 C LYS A 11 5.006 -2.727 2.768 1.00 0.00 C ATOM 117 O LYS A 11 5.547 -2.967 1.690 1.00 0.00 O ATOM 118 CB LYS A 11 4.863 -4.880 4.033 1.00 0.00 C ATOM 119 CG LYS A 11 5.765 -4.438 5.172 1.00 0.00 C ATOM 120 CD LYS A 11 6.253 -5.622 5.990 1.00 0.00 C ATOM 121 CE LYS A 11 7.560 -6.177 5.443 1.00 0.00 C ATOM 122 NZ LYS A 11 7.989 -7.404 6.169 1.00 0.00 N ATOM 0 H LYS A 11 3.541 -4.820 1.690 1.00 0.00 H new ATOM 0 HA LYS A 11 3.491 -3.232 4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.173 -5.640 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.471 -5.349 3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.621 -3.895 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.224 -3.747 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.392 -5.317 7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.495 -6.405 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.443 -6.404 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.338 -5.418 5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.883 -7.751 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.126 -7.182 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.258 -8.138 6.073 1.00 0.00 H new ATOM 136 N ALA A 12 5.201 -1.598 3.441 1.00 0.00 N ATOM 137 CA ALA A 12 6.085 -0.553 2.939 1.00 0.00 C ATOM 138 C ALA A 12 7.534 -1.026 2.911 1.00 0.00 C ATOM 139 O ALA A 12 8.050 -1.538 3.906 1.00 0.00 O ATOM 140 CB ALA A 12 5.954 0.703 3.788 1.00 0.00 C ATOM 0 H ALA A 12 4.759 -1.384 4.335 1.00 0.00 H new ATOM 0 HA ALA A 12 5.787 -0.320 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.620 1.475 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.925 1.061 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.223 0.475 4.819 1.00 0.00 H new ATOM 146 N LEU A 13 8.186 -0.853 1.767 1.00 0.00 N ATOM 147 CA LEU A 13 9.577 -1.264 1.609 1.00 0.00 C ATOM 148 C LEU A 13 10.525 -0.196 2.148 1.00 0.00 C ATOM 149 O LEU A 13 11.560 -0.510 2.736 1.00 0.00 O ATOM 150 CB LEU A 13 9.885 -1.538 0.136 1.00 0.00 C ATOM 151 CG LEU A 13 9.174 -2.742 -0.485 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.492 -2.842 -1.969 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.568 -4.023 0.235 1.00 0.00 C ATOM 0 H LEU A 13 7.774 -0.431 0.935 1.00 0.00 H new ATOM 0 HA LEU A 13 9.726 -2.180 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.625 -0.650 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.960 -1.682 0.031 1.00 0.00 H new ATOM 0 HG LEU A 13 8.099 -2.603 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.978 -3.704 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.159 -1.935 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.567 -2.958 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.053 -4.869 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.645 -4.168 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.288 -3.950 1.286 1.00 0.00 H new ATOM 165 N CYS A 14 10.162 1.066 1.944 1.00 0.00 N ATOM 166 CA CYS A 14 10.979 2.180 2.410 1.00 0.00 C ATOM 167 C CYS A 14 10.105 3.364 2.813 1.00 0.00 C ATOM 168 O CYS A 14 8.878 3.277 2.793 1.00 0.00 O ATOM 169 CB CYS A 14 11.966 2.607 1.322 1.00 0.00 C ATOM 170 SG CYS A 14 11.182 3.160 -0.210 1.00 0.00 S ATOM 0 H CYS A 14 9.308 1.342 1.459 1.00 0.00 H new ATOM 0 HA CYS A 14 11.536 1.848 3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.591 3.412 1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.627 1.770 1.098 1.00 0.00 H new ATOM 0 HG CYS A 14 12.098 3.502 -1.067 1.00 0.00 H new ATOM 176 N ASN A 15 10.746 4.469 3.179 1.00 0.00 N ATOM 177 CA ASN A 15 10.027 5.670 3.589 1.00 0.00 C ATOM 178 C ASN A 15 9.375 6.349 2.389 1.00 0.00 C ATOM 179 O ASN A 15 10.029 7.081 1.646 1.00 0.00 O ATOM 180 CB ASN A 15 10.977 6.645 4.288 1.00 0.00 C ATOM 181 CG ASN A 15 11.187 6.300 5.750 1.00 0.00 C ATOM 182 OD1 ASN A 15 10.243 5.951 6.458 1.00 0.00 O ATOM 183 ND2 ASN A 15 12.429 6.398 6.208 1.00 0.00 N ATOM 0 H ASN A 15 11.762 4.558 3.200 1.00 0.00 H new ATOM 0 HA ASN A 15 9.243 5.374 4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.939 6.642 3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.578 7.656 4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.632 6.180 7.184 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.181 6.691 5.584 1.00 0.00 H new ATOM 190 N TYR A 16 8.083 6.103 2.207 1.00 0.00 N ATOM 191 CA TYR A 16 7.342 6.689 1.097 1.00 0.00 C ATOM 192 C TYR A 16 6.549 7.909 1.555 1.00 0.00 C ATOM 193 O TYR A 16 5.737 8.453 0.806 1.00 0.00 O ATOM 194 CB TYR A 16 6.398 5.654 0.483 1.00 0.00 C ATOM 195 CG TYR A 16 6.038 5.941 -0.958 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.905 5.605 -1.991 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.832 6.548 -1.285 1.00 0.00 C ATOM 198 CE1 TYR A 16 6.581 5.867 -3.308 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.499 6.811 -2.600 1.00 0.00 C ATOM 200 CZ TYR A 16 5.377 6.469 -3.607 1.00 0.00 C ATOM 201 OH TYR A 16 5.050 6.730 -4.919 1.00 0.00 O ATOM 0 H TYR A 16 7.527 5.501 2.814 1.00 0.00 H new ATOM 0 HA TYR A 16 8.061 7.008 0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.863 4.670 0.543 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.484 5.612 1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.848 5.131 -1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.143 6.819 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.267 5.602 -4.099 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.557 7.282 -2.838 1.00 0.00 H new ATOM 0 HH TYR A 16 5.868 6.893 -5.434 1.00 0.00 H new ATOM 211 N ARG A 17 6.790 8.334 2.791 1.00 0.00 N ATOM 212 CA ARG A 17 6.099 9.489 3.350 1.00 0.00 C ATOM 213 C ARG A 17 6.763 10.789 2.906 1.00 0.00 C ATOM 214 O ARG A 17 6.637 11.820 3.564 1.00 0.00 O ATOM 215 CB ARG A 17 6.082 9.409 4.878 1.00 0.00 C ATOM 216 CG ARG A 17 7.468 9.341 5.500 1.00 0.00 C ATOM 217 CD ARG A 17 8.011 10.729 5.803 1.00 0.00 C ATOM 218 NE ARG A 17 9.178 10.680 6.679 1.00 0.00 N ATOM 219 CZ ARG A 17 10.398 10.358 6.261 1.00 0.00 C ATOM 220 NH1 ARG A 17 10.608 10.059 4.987 1.00 0.00 N ATOM 221 NH2 ARG A 17 11.410 10.336 7.119 1.00 0.00 N ATOM 0 H ARG A 17 7.459 7.895 3.424 1.00 0.00 H new ATOM 0 HA ARG A 17 5.074 9.481 2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.558 10.279 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.513 8.530 5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.427 8.756 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.147 8.823 4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.278 11.225 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.231 11.329 6.271 1.00 0.00 H new ATOM 0 HE ARG A 17 9.050 10.905 7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.832 10.076 4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.545 9.812 4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.252 10.566 8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.346 10.089 6.798 1.00 0.00 H new ATOM 235 N GLY A 18 7.473 10.730 1.783 1.00 0.00 N ATOM 236 CA GLY A 18 8.148 11.908 1.269 1.00 0.00 C ATOM 237 C GLY A 18 7.186 12.906 0.656 1.00 0.00 C ATOM 238 O GLY A 18 6.025 12.990 1.060 1.00 0.00 O ATOM 0 H GLY A 18 7.593 9.888 1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.699 12.389 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.880 11.606 0.520 1.00 0.00 H new ATOM 242 N LYS A 19 7.667 13.667 -0.321 1.00 0.00 N ATOM 243 CA LYS A 19 6.843 14.665 -0.991 1.00 0.00 C ATOM 244 C LYS A 19 6.430 14.186 -2.379 1.00 0.00 C ATOM 245 O LYS A 19 7.243 14.150 -3.301 1.00 0.00 O ATOM 246 CB LYS A 19 7.600 15.991 -1.102 1.00 0.00 C ATOM 247 CG LYS A 19 7.335 16.941 0.053 1.00 0.00 C ATOM 248 CD LYS A 19 8.340 16.747 1.176 1.00 0.00 C ATOM 249 CE LYS A 19 7.823 15.775 2.225 1.00 0.00 C ATOM 250 NZ LYS A 19 6.901 16.437 3.188 1.00 0.00 N ATOM 0 H LYS A 19 8.625 13.611 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 19 5.943 14.816 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.669 15.786 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.323 16.481 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.380 17.970 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.327 16.780 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.279 16.375 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.555 17.708 1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.305 14.952 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.665 15.343 2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.571 15.741 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.403 17.206 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.085 16.827 2.675 1.00 0.00 H new ATOM 264 N ASN A 20 5.160 13.821 -2.520 1.00 0.00 N ATOM 265 CA ASN A 20 4.638 13.345 -3.797 1.00 0.00 C ATOM 266 C ASN A 20 3.287 13.983 -4.104 1.00 0.00 C ATOM 267 O ASN A 20 2.496 14.282 -3.210 1.00 0.00 O ATOM 268 CB ASN A 20 4.503 11.821 -3.780 1.00 0.00 C ATOM 269 CG ASN A 20 5.754 11.124 -4.280 1.00 0.00 C ATOM 270 OD1 ASN A 20 6.173 11.321 -5.420 1.00 0.00 O ATOM 271 ND2 ASN A 20 6.355 10.303 -3.427 1.00 0.00 N ATOM 0 H ASN A 20 4.473 13.845 -1.766 1.00 0.00 H new ATOM 0 HA ASN A 20 5.341 13.632 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.287 11.489 -2.764 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.655 11.527 -4.398 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.200 9.805 -3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.972 10.170 -2.491 1.00 0.00 H new ATOM 278 N PRO A 21 3.015 14.197 -5.400 1.00 0.00 N ATOM 279 CA PRO A 21 1.760 14.801 -5.856 1.00 0.00 C ATOM 280 C PRO A 21 0.565 13.874 -5.658 1.00 0.00 C ATOM 281 O PRO A 21 0.476 12.818 -6.283 1.00 0.00 O ATOM 282 CB PRO A 21 2.005 15.045 -7.348 1.00 0.00 C ATOM 283 CG PRO A 21 3.039 14.043 -7.731 1.00 0.00 C ATOM 284 CD PRO A 21 3.913 13.866 -6.520 1.00 0.00 C ATOM 0 HA PRO A 21 1.516 15.704 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.091 14.911 -7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.352 16.062 -7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.579 13.099 -8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.621 14.390 -8.585 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.292 12.847 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.779 14.527 -6.549 1.00 0.00 H new ATOM 292 N GLY A 22 -0.352 14.277 -4.784 1.00 0.00 N ATOM 293 CA GLY A 22 -1.529 13.471 -4.519 1.00 0.00 C ATOM 294 C GLY A 22 -1.195 12.006 -4.316 1.00 0.00 C ATOM 295 O GLY A 22 -1.770 11.135 -4.968 1.00 0.00 O ATOM 0 H GLY A 22 -0.301 15.147 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.034 13.852 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.228 13.569 -5.350 1.00 0.00 H new ATOM 299 N ASP A 23 -0.262 11.734 -3.410 1.00 0.00 N ATOM 300 CA ASP A 23 0.149 10.365 -3.122 1.00 0.00 C ATOM 301 C ASP A 23 -0.114 10.014 -1.661 1.00 0.00 C ATOM 302 O ASP A 23 -0.589 10.846 -0.887 1.00 0.00 O ATOM 303 CB ASP A 23 1.631 10.175 -3.447 1.00 0.00 C ATOM 304 CG ASP A 23 1.873 9.917 -4.921 1.00 0.00 C ATOM 305 OD1 ASP A 23 1.946 10.897 -5.691 1.00 0.00 O ATOM 306 OD2 ASP A 23 1.989 8.734 -5.305 1.00 0.00 O ATOM 0 H ASP A 23 0.224 12.444 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.440 9.696 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.184 11.063 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.023 9.340 -2.866 1.00 0.00 H new ATOM 311 N LEU A 24 0.196 8.777 -1.290 1.00 0.00 N ATOM 312 CA LEU A 24 -0.007 8.315 0.078 1.00 0.00 C ATOM 313 C LEU A 24 1.321 8.209 0.821 1.00 0.00 C ATOM 314 O LEU A 24 2.233 7.503 0.388 1.00 0.00 O ATOM 315 CB LEU A 24 -0.714 6.958 0.080 1.00 0.00 C ATOM 316 CG LEU A 24 -1.422 6.572 1.379 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.507 5.541 1.109 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.421 6.042 2.395 1.00 0.00 C ATOM 0 H LEU A 24 0.589 8.076 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.632 9.045 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.448 6.952 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.021 6.187 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.892 7.464 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.000 5.278 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.240 5.956 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.060 4.648 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.943 5.772 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.078 5.162 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.320 6.812 2.611 1.00 0.00 H new ATOM 330 N LYS A 25 1.424 8.914 1.942 1.00 0.00 N ATOM 331 CA LYS A 25 2.639 8.897 2.748 1.00 0.00 C ATOM 332 C LYS A 25 2.579 7.795 3.800 1.00 0.00 C ATOM 333 O LYS A 25 1.650 7.742 4.606 1.00 0.00 O ATOM 334 CB LYS A 25 2.844 10.254 3.426 1.00 0.00 C ATOM 335 CG LYS A 25 3.295 11.348 2.474 1.00 0.00 C ATOM 336 CD LYS A 25 2.124 11.937 1.706 1.00 0.00 C ATOM 337 CE LYS A 25 1.313 12.890 2.571 1.00 0.00 C ATOM 338 NZ LYS A 25 0.280 13.615 1.780 1.00 0.00 N ATOM 0 H LYS A 25 0.680 9.505 2.313 1.00 0.00 H new ATOM 0 HA LYS A 25 3.482 8.697 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.911 10.558 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.584 10.146 4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.796 12.136 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.024 10.943 1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.493 12.466 0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.481 11.133 1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.830 12.331 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.981 13.611 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.251 14.254 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.742 14.169 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.373 12.929 1.351 1.00 0.00 H new ATOM 352 N PHE A 26 3.577 6.917 3.788 1.00 0.00 N ATOM 353 CA PHE A 26 3.638 5.816 4.742 1.00 0.00 C ATOM 354 C PHE A 26 5.077 5.546 5.171 1.00 0.00 C ATOM 355 O PHE A 26 6.022 5.884 4.458 1.00 0.00 O ATOM 356 CB PHE A 26 3.030 4.551 4.133 1.00 0.00 C ATOM 357 CG PHE A 26 3.693 4.122 2.855 1.00 0.00 C ATOM 358 CD1 PHE A 26 4.865 3.384 2.881 1.00 0.00 C ATOM 359 CD2 PHE A 26 3.145 4.459 1.628 1.00 0.00 C ATOM 360 CE1 PHE A 26 5.478 2.987 1.707 1.00 0.00 C ATOM 361 CE2 PHE A 26 3.753 4.065 0.451 1.00 0.00 C ATOM 362 CZ PHE A 26 4.921 3.330 0.491 1.00 0.00 C ATOM 0 H PHE A 26 4.354 6.947 3.128 1.00 0.00 H new ATOM 0 HA PHE A 26 3.062 6.100 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.098 3.740 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.970 4.722 3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.305 3.115 3.830 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.233 5.036 1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.390 2.410 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.315 4.332 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.399 3.024 -0.428 1.00 0.00 H new ATOM 372 N ASN A 27 5.236 4.936 6.341 1.00 0.00 N ATOM 373 CA ASN A 27 6.559 4.621 6.866 1.00 0.00 C ATOM 374 C ASN A 27 6.892 3.147 6.656 1.00 0.00 C ATOM 375 O ASN A 27 6.072 2.270 6.926 1.00 0.00 O ATOM 376 CB ASN A 27 6.636 4.966 8.354 1.00 0.00 C ATOM 377 CG ASN A 27 6.737 6.459 8.598 1.00 0.00 C ATOM 378 OD1 ASN A 27 7.834 7.014 8.672 1.00 0.00 O ATOM 379 ND2 ASN A 27 5.591 7.118 8.723 1.00 0.00 N ATOM 0 H ASN A 27 4.464 4.650 6.944 1.00 0.00 H new ATOM 0 HA ASN A 27 7.289 5.221 6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.753 4.577 8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.500 4.470 8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.597 8.125 8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.705 6.618 8.655 1.00 0.00 H new ATOM 386 N LYS A 28 8.101 2.882 6.173 1.00 0.00 N ATOM 387 CA LYS A 28 8.545 1.515 5.928 1.00 0.00 C ATOM 388 C LYS A 28 7.988 0.565 6.983 1.00 0.00 C ATOM 389 O LYS A 28 7.848 0.931 8.149 1.00 0.00 O ATOM 390 CB LYS A 28 10.074 1.447 5.920 1.00 0.00 C ATOM 391 CG LYS A 28 10.619 0.030 5.882 1.00 0.00 C ATOM 392 CD LYS A 28 11.989 -0.058 6.532 1.00 0.00 C ATOM 393 CE LYS A 28 12.834 -1.158 5.906 1.00 0.00 C ATOM 394 NZ LYS A 28 13.618 -0.659 4.742 1.00 0.00 N ATOM 0 H LYS A 28 8.792 3.597 5.943 1.00 0.00 H new ATOM 0 HA LYS A 28 8.169 1.207 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.449 1.995 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.456 1.951 6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.929 -0.640 6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.684 -0.308 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.502 0.898 6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.875 -0.248 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.514 -1.565 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.188 -1.975 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.370 -1.339 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.989 -0.549 3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.043 0.260 4.978 1.00 0.00 H new ATOM 408 N GLY A 29 7.673 -0.657 6.566 1.00 0.00 N ATOM 409 CA GLY A 29 7.136 -1.641 7.488 1.00 0.00 C ATOM 410 C GLY A 29 5.632 -1.533 7.641 1.00 0.00 C ATOM 411 O GLY A 29 4.937 -2.544 7.741 1.00 0.00 O ATOM 0 H GLY A 29 7.780 -0.984 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.391 -2.641 7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.607 -1.516 8.463 1.00 0.00 H new ATOM 415 N ASP A 30 5.128 -0.304 7.661 1.00 0.00 N ATOM 416 CA ASP A 30 3.696 -0.067 7.804 1.00 0.00 C ATOM 417 C ASP A 30 2.905 -0.907 6.806 1.00 0.00 C ATOM 418 O ASP A 30 3.191 -0.902 5.609 1.00 0.00 O ATOM 419 CB ASP A 30 3.381 1.416 7.604 1.00 0.00 C ATOM 420 CG ASP A 30 3.812 2.264 8.785 1.00 0.00 C ATOM 421 OD1 ASP A 30 4.863 1.956 9.384 1.00 0.00 O ATOM 422 OD2 ASP A 30 3.098 3.236 9.109 1.00 0.00 O ATOM 0 H ASP A 30 5.690 0.544 7.580 1.00 0.00 H new ATOM 0 HA ASP A 30 3.402 -0.360 8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.881 1.772 6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.310 1.539 7.444 1.00 0.00 H new ATOM 427 N VAL A 31 1.908 -1.629 7.308 1.00 0.00 N ATOM 428 CA VAL A 31 1.074 -2.474 6.462 1.00 0.00 C ATOM 429 C VAL A 31 -0.151 -1.716 5.964 1.00 0.00 C ATOM 430 O VAL A 31 -1.090 -1.467 6.721 1.00 0.00 O ATOM 431 CB VAL A 31 0.612 -3.738 7.212 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.308 -4.573 6.335 1.00 0.00 C ATOM 433 CG2 VAL A 31 1.812 -4.554 7.668 1.00 0.00 C ATOM 0 H VAL A 31 1.658 -1.645 8.297 1.00 0.00 H new ATOM 0 HA VAL A 31 1.686 -2.769 5.610 1.00 0.00 H new ATOM 0 HB VAL A 31 0.052 -3.431 8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.624 -5.462 6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.184 -3.984 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.224 -4.873 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.468 -5.443 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.400 -4.852 6.800 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.429 -3.952 8.335 1.00 0.00 H new ATOM 443 N ILE A 32 -0.135 -1.351 4.686 1.00 0.00 N ATOM 444 CA ILE A 32 -1.246 -0.622 4.087 1.00 0.00 C ATOM 445 C ILE A 32 -2.288 -1.578 3.517 1.00 0.00 C ATOM 446 O ILE A 32 -1.996 -2.365 2.615 1.00 0.00 O ATOM 447 CB ILE A 32 -0.763 0.320 2.968 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.323 1.260 3.496 1.00 0.00 C ATOM 449 CG2 ILE A 32 -1.931 1.115 2.404 1.00 0.00 C ATOM 450 CD1 ILE A 32 1.257 1.769 2.420 1.00 0.00 C ATOM 0 H ILE A 32 0.635 -1.548 4.046 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.698 -0.028 4.881 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.337 -0.282 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.151 2.110 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.906 0.738 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.574 1.776 1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.674 0.430 1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.384 1.709 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.001 2.429 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.759 0.926 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.685 2.319 1.672 1.00 0.00 H new ATOM 462 N LEU A 33 -3.504 -1.504 4.046 1.00 0.00 N ATOM 463 CA LEU A 33 -4.591 -2.363 3.589 1.00 0.00 C ATOM 464 C LEU A 33 -5.110 -1.906 2.230 1.00 0.00 C ATOM 465 O LEU A 33 -5.447 -0.736 2.043 1.00 0.00 O ATOM 466 CB LEU A 33 -5.730 -2.363 4.609 1.00 0.00 C ATOM 467 CG LEU A 33 -5.571 -3.318 5.793 1.00 0.00 C ATOM 468 CD1 LEU A 33 -4.775 -2.658 6.908 1.00 0.00 C ATOM 469 CD2 LEU A 33 -6.933 -3.769 6.302 1.00 0.00 C ATOM 0 H LEU A 33 -3.762 -0.858 4.792 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.203 -3.376 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.843 -1.351 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.656 -2.611 4.090 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.023 -4.197 5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.672 -3.352 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.786 -2.387 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.295 -1.761 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.800 -4.448 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.507 -2.900 6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.468 -4.282 5.503 1.00 0.00 H new ATOM 481 N LEU A 34 -5.175 -2.836 1.284 1.00 0.00 N ATOM 482 CA LEU A 34 -5.656 -2.530 -0.059 1.00 0.00 C ATOM 483 C LEU A 34 -7.162 -2.285 -0.055 1.00 0.00 C ATOM 484 O LEU A 34 -7.939 -3.145 0.359 1.00 0.00 O ATOM 485 CB LEU A 34 -5.316 -3.673 -1.017 1.00 0.00 C ATOM 486 CG LEU A 34 -3.830 -3.883 -1.311 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.597 -5.251 -1.933 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.307 -2.784 -2.224 1.00 0.00 C ATOM 0 H LEU A 34 -4.901 -3.809 1.422 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.159 -1.621 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.718 -4.598 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.831 -3.495 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.283 -3.837 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.534 -5.382 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.934 -6.026 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.156 -5.327 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.248 -2.949 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.859 -2.798 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.439 -1.816 -1.741 1.00 0.00 H new ATOM 500 N ARG A 35 -7.565 -1.108 -0.522 1.00 0.00 N ATOM 501 CA ARG A 35 -8.978 -0.750 -0.573 1.00 0.00 C ATOM 502 C ARG A 35 -9.513 -0.853 -1.999 1.00 0.00 C ATOM 503 O ARG A 35 -10.636 -1.307 -2.219 1.00 0.00 O ATOM 504 CB ARG A 35 -9.187 0.668 -0.040 1.00 0.00 C ATOM 505 CG ARG A 35 -10.593 1.201 -0.261 1.00 0.00 C ATOM 506 CD ARG A 35 -11.535 0.764 0.849 1.00 0.00 C ATOM 507 NE ARG A 35 -12.934 1.005 0.505 1.00 0.00 N ATOM 508 CZ ARG A 35 -13.955 0.445 1.144 1.00 0.00 C ATOM 509 NH1 ARG A 35 -13.734 -0.385 2.155 1.00 0.00 N ATOM 510 NH2 ARG A 35 -15.200 0.714 0.773 1.00 0.00 N ATOM 0 H ARG A 35 -6.934 -0.386 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.528 -1.451 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.966 0.682 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.474 1.337 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.567 2.290 -0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.971 0.848 -1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.389 -0.297 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.289 1.301 1.765 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.138 1.638 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.778 -0.594 2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.520 -0.814 2.644 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.374 1.352 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.983 0.283 1.265 1.00 0.00 H new ATOM 524 N ARG A 36 -8.702 -0.429 -2.962 1.00 0.00 N ATOM 525 CA ARG A 36 -9.095 -0.471 -4.365 1.00 0.00 C ATOM 526 C ARG A 36 -7.876 -0.654 -5.265 1.00 0.00 C ATOM 527 O ARG A 36 -6.915 0.109 -5.186 1.00 0.00 O ATOM 528 CB ARG A 36 -9.837 0.811 -4.748 1.00 0.00 C ATOM 529 CG ARG A 36 -11.300 0.813 -4.338 1.00 0.00 C ATOM 530 CD ARG A 36 -12.065 1.942 -5.010 1.00 0.00 C ATOM 531 NE ARG A 36 -13.361 2.177 -4.378 1.00 0.00 N ATOM 532 CZ ARG A 36 -14.331 2.895 -4.934 1.00 0.00 C ATOM 533 NH1 ARG A 36 -14.152 3.445 -6.127 1.00 0.00 N ATOM 534 NH2 ARG A 36 -15.482 3.064 -4.297 1.00 0.00 N ATOM 0 H ARG A 36 -7.769 -0.052 -2.796 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.760 -1.323 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.337 1.662 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.771 0.951 -5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.754 -0.142 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.376 0.915 -3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.472 2.856 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.213 1.703 -6.063 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.531 1.767 -3.459 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.268 3.317 -6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.898 3.996 -6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.623 2.643 -3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.226 3.615 -4.725 1.00 0.00 H new ATOM 548 N GLN A 37 -7.925 -1.672 -6.119 1.00 0.00 N ATOM 549 CA GLN A 37 -6.825 -1.956 -7.033 1.00 0.00 C ATOM 550 C GLN A 37 -7.107 -1.385 -8.419 1.00 0.00 C ATOM 551 O GLN A 37 -8.040 -1.813 -9.100 1.00 0.00 O ATOM 552 CB GLN A 37 -6.589 -3.464 -7.128 1.00 0.00 C ATOM 553 CG GLN A 37 -5.404 -3.841 -8.002 1.00 0.00 C ATOM 554 CD GLN A 37 -5.791 -4.047 -9.453 1.00 0.00 C ATOM 555 OE1 GLN A 37 -6.954 -3.888 -9.826 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.816 -4.404 -10.281 1.00 0.00 N ATOM 0 H GLN A 37 -8.714 -2.313 -6.197 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.927 -1.479 -6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.432 -3.862 -6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.487 -3.940 -7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.648 -3.059 -7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.950 -4.755 -7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.866 -4.524 -9.929 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.017 -4.558 -11.269 1.00 0.00 H new ATOM 565 N LEU A 38 -6.297 -0.416 -8.830 1.00 0.00 N ATOM 566 CA LEU A 38 -6.459 0.214 -10.136 1.00 0.00 C ATOM 567 C LEU A 38 -5.755 -0.593 -11.222 1.00 0.00 C ATOM 568 O LEU A 38 -6.264 -0.732 -12.334 1.00 0.00 O ATOM 569 CB LEU A 38 -5.908 1.641 -10.107 1.00 0.00 C ATOM 570 CG LEU A 38 -6.409 2.531 -8.969 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.558 3.787 -8.861 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.872 2.892 -9.178 1.00 0.00 C ATOM 0 H LEU A 38 -5.522 -0.049 -8.278 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.524 0.246 -10.367 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.821 1.588 -10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.153 2.123 -11.053 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.323 1.976 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.929 4.409 -8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.523 3.509 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.612 4.344 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.211 3.526 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.984 3.428 -10.121 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.471 1.982 -9.205 1.00 0.00 H new ATOM 584 N ASP A 39 -4.584 -1.125 -10.891 1.00 0.00 N ATOM 585 CA ASP A 39 -3.812 -1.923 -11.836 1.00 0.00 C ATOM 586 C ASP A 39 -2.669 -2.647 -11.131 1.00 0.00 C ATOM 587 O ASP A 39 -2.533 -2.569 -9.910 1.00 0.00 O ATOM 588 CB ASP A 39 -3.257 -1.034 -12.951 1.00 0.00 C ATOM 589 CG ASP A 39 -4.291 -0.730 -14.017 1.00 0.00 C ATOM 590 OD1 ASP A 39 -4.853 -1.688 -14.588 1.00 0.00 O ATOM 591 OD2 ASP A 39 -4.537 0.466 -14.282 1.00 0.00 O ATOM 0 H ASP A 39 -4.148 -1.018 -9.975 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.477 -2.669 -12.271 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.897 -0.099 -12.521 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.399 -1.525 -13.410 1.00 0.00 H new ATOM 596 N GLU A 40 -1.853 -3.352 -11.908 1.00 0.00 N ATOM 597 CA GLU A 40 -0.724 -4.092 -11.356 1.00 0.00 C ATOM 598 C GLU A 40 0.488 -3.182 -11.177 1.00 0.00 C ATOM 599 O GLU A 40 1.599 -3.651 -10.936 1.00 0.00 O ATOM 600 CB GLU A 40 -0.363 -5.268 -12.266 1.00 0.00 C ATOM 601 CG GLU A 40 -1.513 -6.234 -12.497 1.00 0.00 C ATOM 602 CD GLU A 40 -1.757 -7.146 -11.311 1.00 0.00 C ATOM 603 OE1 GLU A 40 -0.770 -7.550 -10.661 1.00 0.00 O ATOM 604 OE2 GLU A 40 -2.934 -7.456 -11.032 1.00 0.00 O ATOM 0 H GLU A 40 -1.952 -3.426 -12.920 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.016 -4.475 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.025 -4.882 -13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.475 -5.811 -11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.421 -5.668 -12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.302 -6.839 -13.379 1.00 0.00 H new ATOM 611 N ASN A 41 0.264 -1.877 -11.298 1.00 0.00 N ATOM 612 CA ASN A 41 1.337 -0.901 -11.151 1.00 0.00 C ATOM 613 C ASN A 41 1.150 -0.074 -9.883 1.00 0.00 C ATOM 614 O ASN A 41 2.113 0.221 -9.175 1.00 0.00 O ATOM 615 CB ASN A 41 1.386 0.021 -12.372 1.00 0.00 C ATOM 616 CG ASN A 41 1.533 -0.748 -13.671 1.00 0.00 C ATOM 617 OD1 ASN A 41 2.577 -0.696 -14.321 1.00 0.00 O ATOM 618 ND2 ASN A 41 0.484 -1.465 -14.055 1.00 0.00 N ATOM 0 H ASN A 41 -0.651 -1.472 -11.497 1.00 0.00 H new ATOM 0 HA ASN A 41 2.280 -1.443 -11.074 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.476 0.620 -12.408 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.220 0.715 -12.267 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.523 -2.003 -14.921 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.361 -1.478 -13.484 1.00 0.00 H new ATOM 625 N TRP A 42 -0.094 0.296 -9.603 1.00 0.00 N ATOM 626 CA TRP A 42 -0.408 1.089 -8.419 1.00 0.00 C ATOM 627 C TRP A 42 -1.500 0.422 -7.591 1.00 0.00 C ATOM 628 O TRP A 42 -2.193 -0.476 -8.069 1.00 0.00 O ATOM 629 CB TRP A 42 -0.846 2.497 -8.825 1.00 0.00 C ATOM 630 CG TRP A 42 0.245 3.296 -9.471 1.00 0.00 C ATOM 631 CD1 TRP A 42 1.024 2.917 -10.527 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.679 4.609 -9.101 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.916 3.915 -10.836 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.725 4.964 -9.977 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.286 5.521 -8.118 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.380 6.190 -9.895 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.937 6.737 -8.038 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.974 7.063 -8.923 1.00 0.00 C ATOM 0 H TRP A 42 -0.902 0.060 -10.179 1.00 0.00 H new ATOM 0 HA TRP A 42 0.493 1.158 -7.809 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.688 2.423 -9.513 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.201 3.028 -7.942 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.950 1.971 -11.043 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.608 3.880 -11.584 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.513 5.280 -7.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.180 6.443 -10.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.642 7.448 -7.281 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.462 8.022 -8.836 1.00 0.00 H new ATOM 649 N TYR A 43 -1.649 0.866 -6.348 1.00 0.00 N ATOM 650 CA TYR A 43 -2.656 0.310 -5.453 1.00 0.00 C ATOM 651 C TYR A 43 -3.220 1.387 -4.531 1.00 0.00 C ATOM 652 O TYR A 43 -2.471 2.131 -3.898 1.00 0.00 O ATOM 653 CB TYR A 43 -2.058 -0.826 -4.622 1.00 0.00 C ATOM 654 CG TYR A 43 -1.703 -2.050 -5.436 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.623 -2.622 -6.305 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.446 -2.633 -5.337 1.00 0.00 C ATOM 657 CE1 TYR A 43 -2.303 -3.740 -7.050 1.00 0.00 C ATOM 658 CE2 TYR A 43 -0.116 -3.751 -6.079 1.00 0.00 C ATOM 659 CZ TYR A 43 -1.048 -4.301 -6.934 1.00 0.00 C ATOM 660 OH TYR A 43 -0.725 -5.414 -7.676 1.00 0.00 O ATOM 0 H TYR A 43 -1.085 1.610 -5.937 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.470 -0.083 -6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.162 -0.463 -4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.768 -1.110 -3.846 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.606 -2.185 -6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.286 -2.205 -4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.031 -4.173 -7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.866 -4.192 -5.990 1.00 0.00 H new ATOM 0 HH TYR A 43 0.196 -5.683 -7.478 1.00 0.00 H new ATOM 670 N GLN A 44 -4.545 1.462 -4.461 1.00 0.00 N ATOM 671 CA GLN A 44 -5.210 2.448 -3.617 1.00 0.00 C ATOM 672 C GLN A 44 -5.585 1.844 -2.268 1.00 0.00 C ATOM 673 O GLN A 44 -6.502 1.029 -2.174 1.00 0.00 O ATOM 674 CB GLN A 44 -6.461 2.986 -4.314 1.00 0.00 C ATOM 675 CG GLN A 44 -7.165 4.087 -3.536 1.00 0.00 C ATOM 676 CD GLN A 44 -8.530 4.421 -4.104 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.749 4.340 -5.313 1.00 0.00 O ATOM 678 NE2 GLN A 44 -9.457 4.800 -3.233 1.00 0.00 N ATOM 0 H GLN A 44 -5.179 0.853 -4.978 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.516 3.271 -3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.184 3.367 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.158 2.164 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.274 3.779 -2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.545 4.983 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.232 4.853 -2.240 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.394 5.038 -3.557 1.00 0.00 H new ATOM 687 N GLY A 45 -4.869 2.250 -1.223 1.00 0.00 N ATOM 688 CA GLY A 45 -5.142 1.738 0.107 1.00 0.00 C ATOM 689 C GLY A 45 -5.372 2.844 1.117 1.00 0.00 C ATOM 690 O GLY A 45 -5.504 4.011 0.750 1.00 0.00 O ATOM 0 H GLY A 45 -4.105 2.924 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.020 1.094 0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.306 1.120 0.434 1.00 0.00 H new ATOM 694 N GLU A 46 -5.423 2.477 2.394 1.00 0.00 N ATOM 695 CA GLU A 46 -5.643 3.447 3.460 1.00 0.00 C ATOM 696 C GLU A 46 -4.744 3.153 4.657 1.00 0.00 C ATOM 697 O GLU A 46 -4.700 2.026 5.151 1.00 0.00 O ATOM 698 CB GLU A 46 -7.110 3.438 3.895 1.00 0.00 C ATOM 699 CG GLU A 46 -7.358 4.148 5.215 1.00 0.00 C ATOM 700 CD GLU A 46 -8.829 4.412 5.468 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.636 3.472 5.314 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.173 5.560 5.820 1.00 0.00 O ATOM 0 H GLU A 46 -5.315 1.515 2.715 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.393 4.435 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.713 3.910 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.449 2.405 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.956 3.545 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.817 5.094 5.222 1.00 0.00 H new ATOM 709 N ILE A 47 -4.028 4.174 5.118 1.00 0.00 N ATOM 710 CA ILE A 47 -3.131 4.025 6.257 1.00 0.00 C ATOM 711 C ILE A 47 -3.493 5.000 7.372 1.00 0.00 C ATOM 712 O ILE A 47 -3.699 6.188 7.129 1.00 0.00 O ATOM 713 CB ILE A 47 -1.663 4.249 5.850 1.00 0.00 C ATOM 714 CG1 ILE A 47 -0.725 3.790 6.969 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.423 5.714 5.518 1.00 0.00 C ATOM 716 CD1 ILE A 47 -0.312 2.340 6.853 1.00 0.00 C ATOM 0 H ILE A 47 -4.052 5.113 4.720 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.247 3.003 6.619 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.454 3.656 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.168 4.415 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.216 3.944 7.930 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.381 5.856 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.070 6.011 4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.646 6.326 6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.352 2.084 7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.198 1.705 6.889 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.208 2.184 5.908 1.00 0.00 H new ATOM 728 N ASN A 48 -3.565 4.489 8.597 1.00 0.00 N ATOM 729 CA ASN A 48 -3.900 5.315 9.751 1.00 0.00 C ATOM 730 C ASN A 48 -5.031 6.284 9.417 1.00 0.00 C ATOM 731 O ASN A 48 -4.951 7.474 9.716 1.00 0.00 O ATOM 732 CB ASN A 48 -2.670 6.093 10.222 1.00 0.00 C ATOM 733 CG ASN A 48 -1.865 5.329 11.256 1.00 0.00 C ATOM 734 OD1 ASN A 48 -2.365 5.005 12.333 1.00 0.00 O ATOM 735 ND2 ASN A 48 -0.610 5.039 10.932 1.00 0.00 N ATOM 0 H ASN A 48 -3.396 3.507 8.816 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.234 4.656 10.553 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.035 6.318 9.365 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.986 7.047 10.644 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.019 4.528 11.588 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.237 5.328 10.028 1.00 0.00 H new ATOM 742 N GLY A 49 -6.084 5.764 8.795 1.00 0.00 N ATOM 743 CA GLY A 49 -7.216 6.596 8.430 1.00 0.00 C ATOM 744 C GLY A 49 -6.871 7.604 7.352 1.00 0.00 C ATOM 745 O GLY A 49 -7.421 8.705 7.323 1.00 0.00 O ATOM 0 H GLY A 49 -6.174 4.781 8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.032 5.962 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.576 7.123 9.314 1.00 0.00 H new ATOM 749 N VAL A 50 -5.957 7.229 6.464 1.00 0.00 N ATOM 750 CA VAL A 50 -5.538 8.108 5.379 1.00 0.00 C ATOM 751 C VAL A 50 -5.649 7.407 4.030 1.00 0.00 C ATOM 752 O VAL A 50 -4.914 6.461 3.748 1.00 0.00 O ATOM 753 CB VAL A 50 -4.090 8.593 5.577 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.668 9.498 4.429 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.945 9.309 6.911 1.00 0.00 C ATOM 0 H VAL A 50 -5.492 6.321 6.474 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.206 8.969 5.393 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.433 7.724 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.642 9.831 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.731 8.948 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.328 10.364 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.915 9.645 7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.613 10.170 6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.203 8.626 7.720 1.00 0.00 H new ATOM 765 N SER A 51 -6.572 7.879 3.198 1.00 0.00 N ATOM 766 CA SER A 51 -6.781 7.296 1.878 1.00 0.00 C ATOM 767 C SER A 51 -5.853 7.934 0.848 1.00 0.00 C ATOM 768 O SER A 51 -5.724 9.156 0.786 1.00 0.00 O ATOM 769 CB SER A 51 -8.238 7.470 1.445 1.00 0.00 C ATOM 770 OG SER A 51 -9.124 6.924 2.408 1.00 0.00 O ATOM 0 H SER A 51 -7.187 8.663 3.415 1.00 0.00 H new ATOM 0 HA SER A 51 -6.552 6.232 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.455 8.529 1.305 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.396 6.982 0.483 1.00 0.00 H new ATOM 0 HG SER A 51 -10.049 7.049 2.109 1.00 0.00 H new ATOM 776 N GLY A 52 -5.209 7.096 0.042 1.00 0.00 N ATOM 777 CA GLY A 52 -4.301 7.596 -0.975 1.00 0.00 C ATOM 778 C GLY A 52 -3.820 6.504 -1.910 1.00 0.00 C ATOM 779 O GLY A 52 -4.068 5.321 -1.673 1.00 0.00 O ATOM 0 H GLY A 52 -5.299 6.081 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.801 8.372 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.442 8.062 -0.493 1.00 0.00 H new ATOM 783 N ILE A 53 -3.132 6.901 -2.975 1.00 0.00 N ATOM 784 CA ILE A 53 -2.616 5.947 -3.949 1.00 0.00 C ATOM 785 C ILE A 53 -1.096 5.852 -3.873 1.00 0.00 C ATOM 786 O ILE A 53 -0.407 6.860 -3.714 1.00 0.00 O ATOM 787 CB ILE A 53 -3.025 6.330 -5.383 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.504 7.726 -5.729 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.537 6.269 -5.537 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.554 8.041 -7.208 1.00 0.00 C ATOM 0 H ILE A 53 -2.919 7.876 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.051 4.978 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.580 5.615 -6.075 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.091 8.468 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.475 7.817 -5.381 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.810 6.542 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.884 5.257 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.002 6.964 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.169 9.046 -7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.944 7.321 -7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.585 7.982 -7.558 1.00 0.00 H new ATOM 802 N PHE A 54 -0.578 4.633 -3.990 1.00 0.00 N ATOM 803 CA PHE A 54 0.861 4.406 -3.936 1.00 0.00 C ATOM 804 C PHE A 54 1.281 3.338 -4.941 1.00 0.00 C ATOM 805 O PHE A 54 0.499 2.468 -5.324 1.00 0.00 O ATOM 806 CB PHE A 54 1.280 3.988 -2.525 1.00 0.00 C ATOM 807 CG PHE A 54 0.430 2.893 -1.947 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.781 3.185 -1.341 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.841 1.571 -2.010 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.565 2.180 -0.807 1.00 0.00 C ATOM 811 CE2 PHE A 54 0.062 0.561 -1.479 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.144 0.866 -0.878 1.00 0.00 C ATOM 0 H PHE A 54 -1.134 3.788 -4.123 1.00 0.00 H new ATOM 0 HA PHE A 54 1.361 5.339 -4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.319 3.658 -2.546 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.235 4.857 -1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.116 4.210 -1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.782 1.327 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.506 2.421 -0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.395 -0.465 -1.534 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.757 0.079 -0.464 1.00 0.00 H new ATOM 822 N PRO A 55 2.547 3.404 -5.380 1.00 0.00 N ATOM 823 CA PRO A 55 3.101 2.451 -6.346 1.00 0.00 C ATOM 824 C PRO A 55 3.277 1.058 -5.751 1.00 0.00 C ATOM 825 O PRO A 55 3.499 0.909 -4.550 1.00 0.00 O ATOM 826 CB PRO A 55 4.461 3.056 -6.701 1.00 0.00 C ATOM 827 CG PRO A 55 4.829 3.882 -5.518 1.00 0.00 C ATOM 828 CD PRO A 55 3.535 4.414 -4.966 1.00 0.00 C ATOM 0 HA PRO A 55 2.443 2.312 -7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.203 2.280 -6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.400 3.663 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.355 3.285 -4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.496 4.696 -5.802 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.573 4.518 -3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.299 5.397 -5.372 1.00 0.00 H new ATOM 836 N ALA A 56 3.176 0.040 -6.599 1.00 0.00 N ATOM 837 CA ALA A 56 3.326 -1.341 -6.157 1.00 0.00 C ATOM 838 C ALA A 56 4.795 -1.691 -5.942 1.00 0.00 C ATOM 839 O ALA A 56 5.118 -2.625 -5.208 1.00 0.00 O ATOM 840 CB ALA A 56 2.698 -2.290 -7.167 1.00 0.00 C ATOM 0 H ALA A 56 2.991 0.146 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 56 2.809 -1.450 -5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.818 -3.318 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.637 -2.063 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.189 -2.171 -8.133 1.00 0.00 H new ATOM 846 N SER A 57 5.679 -0.937 -6.586 1.00 0.00 N ATOM 847 CA SER A 57 7.114 -1.172 -6.469 1.00 0.00 C ATOM 848 C SER A 57 7.612 -0.800 -5.075 1.00 0.00 C ATOM 849 O SER A 57 8.522 -1.433 -4.540 1.00 0.00 O ATOM 850 CB SER A 57 7.872 -0.367 -7.526 1.00 0.00 C ATOM 851 OG SER A 57 7.842 1.019 -7.230 1.00 0.00 O ATOM 0 H SER A 57 5.427 -0.158 -7.194 1.00 0.00 H new ATOM 0 HA SER A 57 7.299 -2.234 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.906 -0.709 -7.576 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.430 -0.542 -8.507 1.00 0.00 H new ATOM 0 HG SER A 57 8.335 1.511 -7.919 1.00 0.00 H new ATOM 857 N SER A 58 7.009 0.233 -4.494 1.00 0.00 N ATOM 858 CA SER A 58 7.393 0.693 -3.165 1.00 0.00 C ATOM 859 C SER A 58 6.645 -0.082 -2.084 1.00 0.00 C ATOM 860 O SER A 58 6.540 0.366 -0.943 1.00 0.00 O ATOM 861 CB SER A 58 7.115 2.190 -3.020 1.00 0.00 C ATOM 862 OG SER A 58 7.763 2.931 -4.040 1.00 0.00 O ATOM 0 H SER A 58 6.253 0.767 -4.923 1.00 0.00 H new ATOM 0 HA SER A 58 8.461 0.516 -3.041 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.041 2.369 -3.063 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.457 2.534 -2.044 1.00 0.00 H new ATOM 0 HG SER A 58 7.574 3.885 -3.921 1.00 0.00 H new ATOM 868 N VAL A 59 6.127 -1.249 -2.454 1.00 0.00 N ATOM 869 CA VAL A 59 5.389 -2.089 -1.517 1.00 0.00 C ATOM 870 C VAL A 59 5.416 -3.550 -1.950 1.00 0.00 C ATOM 871 O VAL A 59 5.667 -3.857 -3.115 1.00 0.00 O ATOM 872 CB VAL A 59 3.925 -1.630 -1.386 1.00 0.00 C ATOM 873 CG1 VAL A 59 3.852 -0.257 -0.735 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.246 -1.621 -2.747 1.00 0.00 C ATOM 0 H VAL A 59 6.205 -1.634 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 59 5.880 -1.991 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 59 3.396 -2.337 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.810 0.051 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.299 -0.301 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.395 0.464 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.212 -1.294 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.773 -0.937 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.265 -2.625 -3.170 1.00 0.00 H new ATOM 884 N GLU A 60 5.154 -4.447 -1.005 1.00 0.00 N ATOM 885 CA GLU A 60 5.148 -5.877 -1.290 1.00 0.00 C ATOM 886 C GLU A 60 3.952 -6.558 -0.631 1.00 0.00 C ATOM 887 O GLU A 60 3.595 -6.247 0.506 1.00 0.00 O ATOM 888 CB GLU A 60 6.448 -6.522 -0.804 1.00 0.00 C ATOM 889 CG GLU A 60 7.641 -6.237 -1.701 1.00 0.00 C ATOM 890 CD GLU A 60 7.342 -6.490 -3.166 1.00 0.00 C ATOM 891 OE1 GLU A 60 6.782 -7.561 -3.481 1.00 0.00 O ATOM 892 OE2 GLU A 60 7.669 -5.618 -3.998 1.00 0.00 O ATOM 0 H GLU A 60 4.943 -4.209 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 60 5.068 -6.006 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.667 -6.165 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.305 -7.600 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.949 -5.200 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.480 -6.860 -1.392 1.00 0.00 H new ATOM 899 N VAL A 61 3.337 -7.489 -1.353 1.00 0.00 N ATOM 900 CA VAL A 61 2.181 -8.215 -0.840 1.00 0.00 C ATOM 901 C VAL A 61 2.613 -9.415 -0.004 1.00 0.00 C ATOM 902 O VAL A 61 1.807 -10.293 0.303 1.00 0.00 O ATOM 903 CB VAL A 61 1.270 -8.701 -1.983 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.031 -9.259 -1.428 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.000 -7.571 -2.965 1.00 0.00 C ATOM 0 H VAL A 61 3.620 -7.758 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 61 1.624 -7.520 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 61 1.781 -9.502 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.662 -9.597 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.186 -10.099 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.551 -8.482 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.355 -7.932 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.509 -6.748 -2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.943 -7.223 -3.387 1.00 0.00 H new ATOM 915 N ILE A 62 3.890 -9.445 0.362 1.00 0.00 N ATOM 916 CA ILE A 62 4.429 -10.536 1.164 1.00 0.00 C ATOM 917 C ILE A 62 3.911 -10.474 2.596 1.00 0.00 C ATOM 918 O ILE A 62 3.824 -11.493 3.282 1.00 0.00 O ATOM 919 CB ILE A 62 5.969 -10.512 1.186 1.00 0.00 C ATOM 920 CG1 ILE A 62 6.471 -9.229 1.853 1.00 0.00 C ATOM 921 CG2 ILE A 62 6.521 -10.632 -0.227 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.659 -9.359 3.348 1.00 0.00 C ATOM 0 H ILE A 62 4.571 -8.726 0.116 1.00 0.00 H new ATOM 0 HA ILE A 62 4.095 -11.463 0.699 1.00 0.00 H new ATOM 0 HB ILE A 62 6.323 -11.364 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.419 -8.940 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.764 -8.424 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.610 -10.613 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.187 -11.570 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.162 -9.798 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.016 -8.412 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.708 -9.617 3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.389 -10.141 3.556 1.00 0.00 H new ATOM 934 N SER A 63 3.564 -9.270 3.043 1.00 0.00 N ATOM 935 CA SER A 63 3.055 -9.074 4.395 1.00 0.00 C ATOM 936 C SER A 63 2.190 -10.254 4.826 1.00 0.00 C ATOM 937 O SER A 63 1.261 -10.648 4.122 1.00 0.00 O ATOM 938 CB SER A 63 2.247 -7.778 4.475 1.00 0.00 C ATOM 939 OG SER A 63 0.969 -7.936 3.885 1.00 0.00 O ATOM 0 H SER A 63 3.626 -8.416 2.488 1.00 0.00 H new ATOM 0 HA SER A 63 3.907 -9.005 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.135 -7.479 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.787 -6.977 3.970 1.00 0.00 H new ATOM 0 HG SER A 63 0.762 -8.890 3.804 1.00 0.00 H new ATOM 945 N GLY A 64 2.502 -10.814 5.991 1.00 0.00 N ATOM 946 CA GLY A 64 1.744 -11.944 6.497 1.00 0.00 C ATOM 947 C GLY A 64 2.623 -12.973 7.179 1.00 0.00 C ATOM 948 O GLY A 64 3.712 -12.667 7.664 1.00 0.00 O ATOM 0 H GLY A 64 3.265 -10.506 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.993 -11.587 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.209 -12.417 5.673 1.00 0.00 H new ATOM 952 N PRO A 65 2.148 -14.227 7.223 1.00 0.00 N ATOM 953 CA PRO A 65 2.882 -15.330 7.849 1.00 0.00 C ATOM 954 C PRO A 65 4.123 -15.725 7.055 1.00 0.00 C ATOM 955 O PRO A 65 4.087 -16.655 6.250 1.00 0.00 O ATOM 956 CB PRO A 65 1.866 -16.475 7.855 1.00 0.00 C ATOM 957 CG PRO A 65 0.938 -16.164 6.731 1.00 0.00 C ATOM 958 CD PRO A 65 0.857 -14.664 6.665 1.00 0.00 C ATOM 0 HA PRO A 65 3.250 -15.063 8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.355 -17.439 7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.334 -16.527 8.805 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.309 -16.577 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.045 -16.601 6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.722 -14.314 5.642 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.018 -14.281 7.246 1.00 0.00 H new ATOM 966 N SER A 66 5.220 -15.011 7.288 1.00 0.00 N ATOM 967 CA SER A 66 6.472 -15.284 6.591 1.00 0.00 C ATOM 968 C SER A 66 7.524 -15.821 7.557 1.00 0.00 C ATOM 969 O SER A 66 7.273 -15.954 8.755 1.00 0.00 O ATOM 970 CB SER A 66 6.988 -14.016 5.909 1.00 0.00 C ATOM 971 OG SER A 66 7.542 -13.118 6.855 1.00 0.00 O ATOM 0 H SER A 66 5.267 -14.240 7.954 1.00 0.00 H new ATOM 0 HA SER A 66 6.280 -16.042 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.742 -14.279 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.172 -13.529 5.375 1.00 0.00 H new ATOM 0 HG SER A 66 7.866 -12.316 6.394 1.00 0.00 H new ATOM 977 N SER A 67 8.704 -16.127 7.026 1.00 0.00 N ATOM 978 CA SER A 67 9.795 -16.652 7.839 1.00 0.00 C ATOM 979 C SER A 67 11.145 -16.182 7.306 1.00 0.00 C ATOM 980 O SER A 67 11.332 -16.039 6.099 1.00 0.00 O ATOM 981 CB SER A 67 9.748 -18.181 7.865 1.00 0.00 C ATOM 982 OG SER A 67 10.573 -18.699 8.895 1.00 0.00 O ATOM 0 H SER A 67 8.929 -16.020 6.037 1.00 0.00 H new ATOM 0 HA SER A 67 9.674 -16.274 8.854 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.721 -18.514 8.015 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.073 -18.574 6.902 1.00 0.00 H new ATOM 0 HG SER A 67 10.524 -19.678 8.892 1.00 0.00 H new ATOM 988 N GLY A 68 12.083 -15.944 8.217 1.00 0.00 N ATOM 989 CA GLY A 68 13.404 -15.492 7.821 1.00 0.00 C ATOM 990 C GLY A 68 14.444 -15.724 8.899 1.00 0.00 C ATOM 991 O GLY A 68 15.541 -15.168 8.843 1.00 0.00 O ATOM 0 H GLY A 68 11.952 -16.056 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.705 -16.013 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.364 -14.429 7.582 1.00 0.00 H new TER 995 GLY A 68