USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 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 83 SER OG : rot -26:sc= 1.15 USER MOD Set 1.2: A 86 GLN : amide:sc= 0.808 K(o=2,f=-4.1) USER MOD Set 2.1: A 50 ASN : amide:sc= -3.13 K(o=-2.6,f=-4!) USER MOD Set 2.2: A 52 THR OG1 : rot -130:sc= 0.564 USER MOD Set 3.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 75 SER OG : rot 180:sc= -0.433 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.913 K(o=-0.91,f=-2.4) USER MOD Single : A 55 THR OG1 : rot 157:sc= 0.608 USER MOD Single : A 56 ASN : amide:sc= 0.332 K(o=0.33,f=-6.1!) USER MOD Single : A 58 HIS : no HD1:sc= -2.6 X(o=-2.6,f=-2.6!) USER MOD Single : A 68 GLN : amide:sc= -0.428 K(o=-0.43,f=-1.5) USER MOD Single : A 71 THR OG1 : rot 41:sc= 0.204 USER MOD Single : A 72 THR OG1 : rot 42:sc= 0.409 USER MOD Single : A 78 MET CE :methyl -103:sc= -2.51 (180deg=-6.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 98 THR OG1 : rot -100:sc= -0.484 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.87 USER MOD Single : A 105 ASN : amide:sc= -0.788 K(o=-0.79,f=-1.8) USER MOD Single : A 108 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.4) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 98.689 26.925 5.781 1.00 0.00 N ATOM 2 CA GLY A 28 97.504 26.024 5.737 1.00 0.00 C ATOM 3 C GLY A 28 96.889 26.050 4.326 1.00 0.00 C ATOM 4 O GLY A 28 95.943 26.782 4.101 1.00 0.00 O ATOM 0 HA2 GLY A 28 97.797 25.007 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 28 96.765 26.342 6.473 1.00 0.00 H new ATOM 10 N PRO A 29 97.434 25.259 3.409 1.00 0.00 N ATOM 11 CA PRO A 29 96.890 25.202 2.013 1.00 0.00 C ATOM 12 C PRO A 29 95.413 24.780 2.005 1.00 0.00 C ATOM 13 O PRO A 29 95.060 23.735 2.524 1.00 0.00 O ATOM 14 CB PRO A 29 97.758 24.130 1.346 1.00 0.00 C ATOM 15 CG PRO A 29 99.025 24.164 2.127 1.00 0.00 C ATOM 16 CD PRO A 29 98.598 24.355 3.550 1.00 0.00 C ATOM 0 HA PRO A 29 96.923 26.167 1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 29 97.286 23.148 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 29 97.931 24.353 0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 29 99.589 23.239 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 29 99.671 24.977 1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 29 98.326 23.412 4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 29 99.388 24.800 4.156 1.00 0.00 H new ATOM 24 N GLU A 30 94.560 25.593 1.419 1.00 0.00 N ATOM 25 CA GLU A 30 93.097 25.259 1.343 1.00 0.00 C ATOM 26 C GLU A 30 92.784 24.469 0.063 1.00 0.00 C ATOM 27 O GLU A 30 91.836 24.768 -0.647 1.00 0.00 O ATOM 28 CB GLU A 30 92.379 26.617 1.335 1.00 0.00 C ATOM 29 CG GLU A 30 92.587 27.321 2.677 1.00 0.00 C ATOM 30 CD GLU A 30 91.779 28.621 2.707 1.00 0.00 C ATOM 31 OE1 GLU A 30 91.804 29.336 1.717 1.00 0.00 O ATOM 32 OE2 GLU A 30 91.150 28.881 3.718 1.00 0.00 O ATOM 0 H GLU A 30 94.817 26.480 0.987 1.00 0.00 H new ATOM 0 HA GLU A 30 92.777 24.633 2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 30 92.763 27.237 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 30 91.314 26.475 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 30 92.276 26.669 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 30 93.645 27.535 2.826 1.00 0.00 H new ATOM 39 N ASP A 31 93.574 23.461 -0.228 1.00 0.00 N ATOM 40 CA ASP A 31 93.383 22.677 -1.493 1.00 0.00 C ATOM 41 C ASP A 31 92.202 21.711 -1.335 1.00 0.00 C ATOM 42 O ASP A 31 92.378 20.542 -1.030 1.00 0.00 O ATOM 43 CB ASP A 31 94.698 21.916 -1.717 1.00 0.00 C ATOM 44 CG ASP A 31 95.827 22.909 -1.999 1.00 0.00 C ATOM 45 OD1 ASP A 31 95.607 23.822 -2.777 1.00 0.00 O ATOM 46 OD2 ASP A 31 96.895 22.739 -1.432 1.00 0.00 O ATOM 0 H ASP A 31 94.347 23.146 0.359 1.00 0.00 H new ATOM 0 HA ASP A 31 93.156 23.318 -2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 31 94.938 21.318 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 31 94.591 21.225 -2.553 1.00 0.00 H new ATOM 51 N THR A 32 91.000 22.204 -1.540 1.00 0.00 N ATOM 52 CA THR A 32 89.785 21.338 -1.441 1.00 0.00 C ATOM 53 C THR A 32 88.972 21.416 -2.736 1.00 0.00 C ATOM 54 O THR A 32 88.348 22.423 -3.022 1.00 0.00 O ATOM 55 CB THR A 32 88.984 21.916 -0.272 1.00 0.00 C ATOM 56 OG1 THR A 32 89.838 22.074 0.853 1.00 0.00 O ATOM 57 CG2 THR A 32 87.839 20.967 0.084 1.00 0.00 C ATOM 0 H THR A 32 90.811 23.179 -1.774 1.00 0.00 H new ATOM 0 HA THR A 32 90.037 20.289 -1.287 1.00 0.00 H new ATOM 0 HB THR A 32 88.574 22.885 -0.557 1.00 0.00 H new ATOM 0 HG1 THR A 32 89.327 22.446 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 32 87.270 21.380 0.917 1.00 0.00 H new ATOM 0 HG22 THR A 32 87.184 20.847 -0.779 1.00 0.00 H new ATOM 0 HG23 THR A 32 88.246 19.997 0.369 1.00 0.00 H new ATOM 65 N LEU A 33 88.983 20.357 -3.515 1.00 0.00 N ATOM 66 CA LEU A 33 88.202 20.324 -4.791 1.00 0.00 C ATOM 67 C LEU A 33 87.614 18.913 -4.993 1.00 0.00 C ATOM 68 O LEU A 33 88.376 17.970 -5.095 1.00 0.00 O ATOM 69 CB LEU A 33 89.211 20.637 -5.903 1.00 0.00 C ATOM 70 CG LEU A 33 89.594 22.120 -5.873 1.00 0.00 C ATOM 71 CD1 LEU A 33 90.756 22.361 -6.837 1.00 0.00 C ATOM 72 CD2 LEU A 33 88.397 22.974 -6.303 1.00 0.00 C ATOM 0 H LEU A 33 89.507 19.505 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 33 87.377 21.036 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 33 90.102 20.022 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 33 88.783 20.385 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 33 89.889 22.395 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 33 91.031 23.415 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 33 91.611 21.757 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 33 90.455 22.082 -7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 33 88.675 24.028 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.099 22.699 -7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 33 87.564 22.803 -5.621 1.00 0.00 H new ATOM 84 N PRO A 34 86.290 18.784 -5.046 1.00 0.00 N ATOM 85 CA PRO A 34 85.653 17.430 -5.176 1.00 0.00 C ATOM 86 C PRO A 34 86.114 16.717 -6.459 1.00 0.00 C ATOM 87 O PRO A 34 86.304 17.347 -7.485 1.00 0.00 O ATOM 88 CB PRO A 34 84.157 17.757 -5.246 1.00 0.00 C ATOM 89 CG PRO A 34 84.047 19.067 -4.551 1.00 0.00 C ATOM 90 CD PRO A 34 85.254 19.838 -4.987 1.00 0.00 C ATOM 0 HA PRO A 34 85.913 16.758 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 34 83.809 17.821 -6.277 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.557 16.992 -4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.128 19.584 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 34 84.030 18.940 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 34 85.104 20.317 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 34 85.513 20.625 -4.279 1.00 0.00 H new ATOM 98 N PHE A 35 86.290 15.412 -6.397 1.00 0.00 N ATOM 99 CA PHE A 35 86.763 14.644 -7.594 1.00 0.00 C ATOM 100 C PHE A 35 86.214 13.206 -7.568 1.00 0.00 C ATOM 101 O PHE A 35 86.941 12.249 -7.780 1.00 0.00 O ATOM 102 CB PHE A 35 88.297 14.667 -7.498 1.00 0.00 C ATOM 103 CG PHE A 35 88.861 13.982 -6.270 1.00 0.00 C ATOM 104 CD1 PHE A 35 88.931 14.682 -5.026 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.325 12.633 -6.355 1.00 0.00 C ATOM 106 CE1 PHE A 35 89.466 14.035 -3.869 1.00 0.00 C ATOM 107 CE2 PHE A 35 89.860 11.984 -5.199 1.00 0.00 C ATOM 108 CZ PHE A 35 89.929 12.685 -3.955 1.00 0.00 C ATOM 0 H PHE A 35 86.125 14.847 -5.564 1.00 0.00 H new ATOM 0 HA PHE A 35 86.415 15.078 -8.531 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.711 14.190 -8.387 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.633 15.704 -7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.579 15.701 -4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.271 12.103 -7.294 1.00 0.00 H new ATOM 0 HE1 PHE A 35 89.520 14.566 -2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.212 10.965 -5.265 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.331 12.195 -3.080 1.00 0.00 H new ATOM 118 N LEU A 36 84.933 13.060 -7.319 1.00 0.00 N ATOM 119 CA LEU A 36 84.326 11.702 -7.161 1.00 0.00 C ATOM 120 C LEU A 36 82.809 11.770 -7.357 1.00 0.00 C ATOM 121 O LEU A 36 82.109 12.386 -6.574 1.00 0.00 O ATOM 122 CB LEU A 36 84.662 11.287 -5.729 1.00 0.00 C ATOM 123 CG LEU A 36 84.307 9.813 -5.524 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.316 8.933 -6.264 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.346 9.484 -4.031 1.00 0.00 C ATOM 0 H LEU A 36 84.276 13.834 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 36 84.707 10.992 -7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.722 11.447 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.110 11.906 -5.022 1.00 0.00 H new ATOM 0 HG LEU A 36 83.307 9.624 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.061 7.884 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.290 9.166 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.317 9.121 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.093 8.434 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.346 9.675 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.626 10.108 -3.502 1.00 0.00 H new ATOM 137 N LYS A 37 82.311 11.143 -8.399 1.00 0.00 N ATOM 138 CA LYS A 37 80.833 11.073 -8.620 1.00 0.00 C ATOM 139 C LYS A 37 80.296 9.717 -8.154 1.00 0.00 C ATOM 140 O LYS A 37 80.822 8.681 -8.518 1.00 0.00 O ATOM 141 CB LYS A 37 80.654 11.225 -10.131 1.00 0.00 C ATOM 142 CG LYS A 37 79.171 11.418 -10.453 1.00 0.00 C ATOM 143 CD LYS A 37 79.007 11.721 -11.945 1.00 0.00 C ATOM 144 CE LYS A 37 79.204 10.435 -12.753 1.00 0.00 C ATOM 145 NZ LYS A 37 79.467 10.895 -14.146 1.00 0.00 N ATOM 0 H LYS A 37 82.872 10.674 -9.110 1.00 0.00 H new ATOM 0 HA LYS A 37 80.294 11.840 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.229 12.078 -10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.036 10.342 -10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.611 10.521 -10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 37 78.762 12.235 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 37 78.017 12.135 -12.136 1.00 0.00 H new ATOM 0 HD3 LYS A 37 79.732 12.473 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 37 80.038 9.849 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 37 78.319 9.800 -12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 79.613 10.070 -14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 78.654 11.444 -14.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 80.318 11.492 -14.160 1.00 0.00 H new ATOM 159 N CYS A 38 79.253 9.726 -7.352 1.00 0.00 N ATOM 160 CA CYS A 38 78.663 8.445 -6.841 1.00 0.00 C ATOM 161 C CYS A 38 77.269 8.241 -7.442 1.00 0.00 C ATOM 162 O CYS A 38 76.509 9.185 -7.575 1.00 0.00 O ATOM 163 CB CYS A 38 78.546 8.606 -5.318 1.00 0.00 C ATOM 164 SG CYS A 38 80.175 8.860 -4.560 1.00 0.00 S ATOM 0 H CYS A 38 78.783 10.572 -7.028 1.00 0.00 H new ATOM 0 HA CYS A 38 79.279 7.587 -7.110 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.898 9.452 -5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.077 7.720 -4.891 1.00 0.00 H new ATOM 169 N TYR A 39 76.937 7.021 -7.801 1.00 0.00 N ATOM 170 CA TYR A 39 75.560 6.720 -8.313 1.00 0.00 C ATOM 171 C TYR A 39 74.598 6.519 -7.140 1.00 0.00 C ATOM 172 O TYR A 39 74.960 5.933 -6.134 1.00 0.00 O ATOM 173 CB TYR A 39 75.700 5.428 -9.125 1.00 0.00 C ATOM 174 CG TYR A 39 74.449 5.044 -9.879 1.00 0.00 C ATOM 175 CD1 TYR A 39 74.240 5.524 -11.208 1.00 0.00 C ATOM 176 CD2 TYR A 39 73.472 4.205 -9.259 1.00 0.00 C ATOM 177 CE1 TYR A 39 73.053 5.164 -11.920 1.00 0.00 C ATOM 178 CE2 TYR A 39 72.287 3.844 -9.970 1.00 0.00 C ATOM 179 CZ TYR A 39 72.076 4.324 -11.301 1.00 0.00 C ATOM 180 OH TYR A 39 70.930 3.977 -11.986 1.00 0.00 O ATOM 0 H TYR A 39 77.564 6.218 -7.761 1.00 0.00 H new ATOM 0 HA TYR A 39 75.160 7.532 -8.920 1.00 0.00 H new ATOM 0 HB2 TYR A 39 76.520 5.543 -9.834 1.00 0.00 H new ATOM 0 HB3 TYR A 39 75.972 4.615 -8.452 1.00 0.00 H new ATOM 0 HD1 TYR A 39 74.978 6.159 -11.675 1.00 0.00 H new ATOM 0 HD2 TYR A 39 73.630 3.844 -8.253 1.00 0.00 H new ATOM 0 HE1 TYR A 39 72.895 5.527 -12.925 1.00 0.00 H new ATOM 0 HE2 TYR A 39 71.550 3.208 -9.502 1.00 0.00 H new ATOM 0 HH TYR A 39 70.373 3.401 -11.421 1.00 0.00 H new ATOM 190 N CYS A 40 73.380 7.000 -7.267 1.00 0.00 N ATOM 191 CA CYS A 40 72.406 6.943 -6.125 1.00 0.00 C ATOM 192 C CYS A 40 71.215 6.040 -6.474 1.00 0.00 C ATOM 193 O CYS A 40 70.692 6.096 -7.573 1.00 0.00 O ATOM 194 CB CYS A 40 71.962 8.399 -5.871 1.00 0.00 C ATOM 195 SG CYS A 40 71.154 9.129 -7.330 1.00 0.00 S ATOM 0 H CYS A 40 73.017 7.432 -8.117 1.00 0.00 H new ATOM 0 HA CYS A 40 72.858 6.515 -5.230 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.276 8.426 -5.025 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.829 9.000 -5.598 1.00 0.00 H new ATOM 200 N SER A 41 70.794 5.215 -5.541 1.00 0.00 N ATOM 201 CA SER A 41 69.607 4.333 -5.770 1.00 0.00 C ATOM 202 C SER A 41 68.548 4.589 -4.694 1.00 0.00 C ATOM 203 O SER A 41 68.874 4.777 -3.535 1.00 0.00 O ATOM 204 CB SER A 41 70.148 2.907 -5.661 1.00 0.00 C ATOM 205 OG SER A 41 71.181 2.723 -6.619 1.00 0.00 O ATOM 0 H SER A 41 71.228 5.116 -4.623 1.00 0.00 H new ATOM 0 HA SER A 41 69.133 4.516 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.531 2.727 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.347 2.188 -5.830 1.00 0.00 H new ATOM 0 HG SER A 41 71.531 1.810 -6.551 1.00 0.00 H new ATOM 211 N GLY A 42 67.290 4.594 -5.076 1.00 0.00 N ATOM 212 CA GLY A 42 66.188 4.820 -4.093 1.00 0.00 C ATOM 213 C GLY A 42 66.127 6.304 -3.721 1.00 0.00 C ATOM 214 O GLY A 42 65.173 6.988 -4.051 1.00 0.00 O ATOM 0 H GLY A 42 66.981 4.449 -6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.236 4.502 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.355 4.218 -3.200 1.00 0.00 H new ATOM 218 N HIS A 43 67.138 6.798 -3.040 1.00 0.00 N ATOM 219 CA HIS A 43 67.130 8.219 -2.571 1.00 0.00 C ATOM 220 C HIS A 43 68.255 9.014 -3.244 1.00 0.00 C ATOM 221 O HIS A 43 69.413 8.643 -3.167 1.00 0.00 O ATOM 222 CB HIS A 43 67.364 8.135 -1.061 1.00 0.00 C ATOM 223 CG HIS A 43 67.275 9.466 -0.365 1.00 0.00 C ATOM 224 ND1 HIS A 43 66.088 10.177 -0.281 1.00 0.00 N ATOM 225 CD2 HIS A 43 68.216 10.227 0.283 1.00 0.00 C ATOM 226 CE1 HIS A 43 66.343 11.311 0.397 1.00 0.00 C ATOM 227 NE2 HIS A 43 67.624 11.393 0.765 1.00 0.00 N ATOM 0 H HIS A 43 67.974 6.270 -2.789 1.00 0.00 H new ATOM 0 HA HIS A 43 66.197 8.727 -2.816 1.00 0.00 H new ATOM 0 HB2 HIS A 43 66.631 7.456 -0.625 1.00 0.00 H new ATOM 0 HB3 HIS A 43 68.348 7.703 -0.877 1.00 0.00 H new ATOM 0 HD2 HIS A 43 69.256 9.962 0.401 1.00 0.00 H new ATOM 0 HE1 HIS A 43 65.601 12.064 0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 43 68.072 12.146 1.286 1.00 0.00 H new ATOM 235 N CYS A 44 67.909 10.099 -3.898 1.00 0.00 N ATOM 236 CA CYS A 44 68.940 11.007 -4.493 1.00 0.00 C ATOM 237 C CYS A 44 68.534 12.472 -4.236 1.00 0.00 C ATOM 238 O CYS A 44 67.378 12.806 -4.416 1.00 0.00 O ATOM 239 CB CYS A 44 68.922 10.688 -5.995 1.00 0.00 C ATOM 240 SG CYS A 44 70.563 10.963 -6.713 1.00 0.00 S ATOM 0 H CYS A 44 66.945 10.396 -4.046 1.00 0.00 H new ATOM 0 HA CYS A 44 69.933 10.867 -4.066 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.618 9.653 -6.151 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.187 11.316 -6.499 1.00 0.00 H new ATOM 245 N PRO A 45 69.479 13.314 -3.828 1.00 0.00 N ATOM 246 CA PRO A 45 69.117 14.680 -3.336 1.00 0.00 C ATOM 247 C PRO A 45 68.410 15.496 -4.431 1.00 0.00 C ATOM 248 O PRO A 45 68.620 15.274 -5.611 1.00 0.00 O ATOM 249 CB PRO A 45 70.460 15.315 -2.956 1.00 0.00 C ATOM 250 CG PRO A 45 71.499 14.490 -3.641 1.00 0.00 C ATOM 251 CD PRO A 45 70.938 13.105 -3.783 1.00 0.00 C ATOM 0 HA PRO A 45 68.421 14.646 -2.498 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.508 16.355 -3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 45 70.605 15.310 -1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 45 71.742 14.909 -4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.422 14.474 -3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.300 12.619 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.225 12.470 -2.944 1.00 0.00 H new ATOM 259 N ASP A 46 67.582 16.441 -4.037 1.00 0.00 N ATOM 260 CA ASP A 46 66.727 17.188 -5.026 1.00 0.00 C ATOM 261 C ASP A 46 67.585 17.931 -6.061 1.00 0.00 C ATOM 262 O ASP A 46 67.155 18.145 -7.181 1.00 0.00 O ATOM 263 CB ASP A 46 65.913 18.192 -4.202 1.00 0.00 C ATOM 264 CG ASP A 46 64.805 18.791 -5.073 1.00 0.00 C ATOM 265 OD1 ASP A 46 63.765 18.164 -5.189 1.00 0.00 O ATOM 266 OD2 ASP A 46 65.017 19.866 -5.609 1.00 0.00 O ATOM 0 H ASP A 46 67.461 16.729 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 46 66.090 16.501 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 46 65.479 17.698 -3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 46 66.563 18.983 -3.828 1.00 0.00 H new ATOM 271 N ASP A 47 68.786 18.319 -5.691 1.00 0.00 N ATOM 272 CA ASP A 47 69.671 19.085 -6.629 1.00 0.00 C ATOM 273 C ASP A 47 70.596 18.149 -7.433 1.00 0.00 C ATOM 274 O ASP A 47 71.546 18.608 -8.044 1.00 0.00 O ATOM 275 CB ASP A 47 70.482 20.047 -5.743 1.00 0.00 C ATOM 276 CG ASP A 47 71.352 19.282 -4.735 1.00 0.00 C ATOM 277 OD1 ASP A 47 70.794 18.525 -3.956 1.00 0.00 O ATOM 278 OD2 ASP A 47 72.558 19.465 -4.761 1.00 0.00 O ATOM 0 H ASP A 47 69.192 18.136 -4.774 1.00 0.00 H new ATOM 0 HA ASP A 47 69.084 19.624 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 47 71.115 20.675 -6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 47 69.803 20.712 -5.209 1.00 0.00 H new ATOM 283 N ALA A 48 70.326 16.860 -7.439 1.00 0.00 N ATOM 284 CA ALA A 48 71.274 15.882 -8.069 1.00 0.00 C ATOM 285 C ALA A 48 71.144 15.926 -9.593 1.00 0.00 C ATOM 286 O ALA A 48 70.160 16.417 -10.121 1.00 0.00 O ATOM 287 CB ALA A 48 70.869 14.504 -7.535 1.00 0.00 C ATOM 0 H ALA A 48 69.488 16.444 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 48 72.312 16.113 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.524 13.743 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 48 70.956 14.495 -6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.838 14.293 -7.818 1.00 0.00 H new ATOM 293 N ILE A 49 72.132 15.415 -10.294 1.00 0.00 N ATOM 294 CA ILE A 49 72.129 15.478 -11.793 1.00 0.00 C ATOM 295 C ILE A 49 72.287 14.058 -12.351 1.00 0.00 C ATOM 296 O ILE A 49 73.083 13.290 -11.852 1.00 0.00 O ATOM 297 CB ILE A 49 73.326 16.370 -12.186 1.00 0.00 C ATOM 298 CG1 ILE A 49 73.194 17.761 -11.542 1.00 0.00 C ATOM 299 CG2 ILE A 49 73.374 16.545 -13.711 1.00 0.00 C ATOM 300 CD1 ILE A 49 74.527 18.507 -11.654 1.00 0.00 C ATOM 0 H ILE A 49 72.946 14.954 -9.888 1.00 0.00 H new ATOM 0 HA ILE A 49 71.202 15.888 -12.194 1.00 0.00 H new ATOM 0 HB ILE A 49 74.238 15.886 -11.835 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.405 18.328 -12.036 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.908 17.663 -10.495 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.222 17.176 -13.978 1.00 0.00 H new ATOM 0 HG22 ILE A 49 73.483 15.570 -14.186 1.00 0.00 H new ATOM 0 HG23 ILE A 49 72.451 17.014 -14.053 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.432 19.492 -11.197 1.00 0.00 H new ATOM 0 HD12 ILE A 49 75.304 17.942 -11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.794 18.618 -12.705 1.00 0.00 H new ATOM 312 N ASN A 50 71.520 13.720 -13.374 1.00 0.00 N ATOM 313 CA ASN A 50 71.497 12.328 -13.968 1.00 0.00 C ATOM 314 C ASN A 50 71.619 11.211 -12.909 1.00 0.00 C ATOM 315 O ASN A 50 72.333 10.241 -13.094 1.00 0.00 O ATOM 316 CB ASN A 50 72.645 12.283 -14.995 1.00 0.00 C ATOM 317 CG ASN A 50 74.013 12.432 -14.319 1.00 0.00 C ATOM 318 OD1 ASN A 50 74.463 11.536 -13.634 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.699 13.527 -14.495 1.00 0.00 N ATOM 0 H ASN A 50 70.888 14.373 -13.837 1.00 0.00 H new ATOM 0 HA ASN A 50 70.534 12.136 -14.441 1.00 0.00 H new ATOM 0 HB2 ASN A 50 72.609 11.340 -15.541 1.00 0.00 H new ATOM 0 HB3 ASN A 50 72.511 13.080 -15.726 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.614 13.631 -14.057 1.00 0.00 H new ATOM 0 HD22 ASN A 50 74.320 14.279 -15.071 1.00 0.00 H new ATOM 326 N ASN A 51 70.912 11.354 -11.802 1.00 0.00 N ATOM 327 CA ASN A 51 70.949 10.341 -10.685 1.00 0.00 C ATOM 328 C ASN A 51 72.386 10.109 -10.183 1.00 0.00 C ATOM 329 O ASN A 51 72.791 8.985 -9.932 1.00 0.00 O ATOM 330 CB ASN A 51 70.348 9.048 -11.264 1.00 0.00 C ATOM 331 CG ASN A 51 69.758 8.204 -10.132 1.00 0.00 C ATOM 332 OD1 ASN A 51 68.973 8.690 -9.342 1.00 0.00 O ATOM 333 ND2 ASN A 51 70.105 6.951 -10.021 1.00 0.00 N ATOM 0 H ASN A 51 70.298 12.148 -11.623 1.00 0.00 H new ATOM 0 HA ASN A 51 70.383 10.690 -9.821 1.00 0.00 H new ATOM 0 HB2 ASN A 51 69.574 9.289 -11.993 1.00 0.00 H new ATOM 0 HB3 ASN A 51 71.116 8.482 -11.791 1.00 0.00 H new ATOM 0 HD21 ASN A 51 69.717 6.379 -9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 51 70.764 6.544 -10.684 1.00 0.00 H new ATOM 340 N THR A 52 73.152 11.169 -10.038 1.00 0.00 N ATOM 341 CA THR A 52 74.502 11.061 -9.396 1.00 0.00 C ATOM 342 C THR A 52 74.760 12.271 -8.489 1.00 0.00 C ATOM 343 O THR A 52 74.074 13.275 -8.583 1.00 0.00 O ATOM 344 CB THR A 52 75.510 11.044 -10.548 1.00 0.00 C ATOM 345 OG1 THR A 52 75.335 12.207 -11.343 1.00 0.00 O ATOM 346 CG2 THR A 52 75.302 9.794 -11.409 1.00 0.00 C ATOM 0 H THR A 52 72.896 12.109 -10.340 1.00 0.00 H new ATOM 0 HA THR A 52 74.580 10.168 -8.776 1.00 0.00 H new ATOM 0 HB THR A 52 76.521 11.028 -10.141 1.00 0.00 H new ATOM 0 HG1 THR A 52 75.271 11.951 -12.287 1.00 0.00 H new ATOM 0 HG21 THR A 52 76.024 9.791 -12.226 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.443 8.903 -10.797 1.00 0.00 H new ATOM 0 HG23 THR A 52 74.291 9.798 -11.818 1.00 0.00 H new ATOM 354 N CYS A 53 75.746 12.172 -7.626 1.00 0.00 N ATOM 355 CA CYS A 53 76.098 13.313 -6.719 1.00 0.00 C ATOM 356 C CYS A 53 77.621 13.461 -6.602 1.00 0.00 C ATOM 357 O CYS A 53 78.364 12.557 -6.936 1.00 0.00 O ATOM 358 CB CYS A 53 75.455 12.998 -5.352 1.00 0.00 C ATOM 359 SG CYS A 53 76.044 11.413 -4.677 1.00 0.00 S ATOM 0 H CYS A 53 76.327 11.341 -7.511 1.00 0.00 H new ATOM 0 HA CYS A 53 75.726 14.261 -7.109 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.683 13.800 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.371 12.967 -5.459 1.00 0.00 H new ATOM 364 N ILE A 54 78.074 14.599 -6.127 1.00 0.00 N ATOM 365 CA ILE A 54 79.544 14.889 -6.071 1.00 0.00 C ATOM 366 C ILE A 54 80.001 14.895 -4.603 1.00 0.00 C ATOM 367 O ILE A 54 79.355 15.484 -3.754 1.00 0.00 O ATOM 368 CB ILE A 54 79.706 16.285 -6.714 1.00 0.00 C ATOM 369 CG1 ILE A 54 79.213 16.258 -8.168 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.180 16.711 -6.713 1.00 0.00 C ATOM 371 CD1 ILE A 54 79.037 17.692 -8.676 1.00 0.00 C ATOM 0 H ILE A 54 77.480 15.348 -5.772 1.00 0.00 H new ATOM 0 HA ILE A 54 80.146 14.146 -6.593 1.00 0.00 H new ATOM 0 HB ILE A 54 79.117 16.993 -6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.927 15.724 -8.795 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.267 15.720 -8.232 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.274 17.696 -7.170 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.547 16.750 -5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.768 15.990 -7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.687 17.672 -9.708 1.00 0.00 H new ATOM 0 HD12 ILE A 54 78.307 18.211 -8.055 1.00 0.00 H new ATOM 0 HD13 ILE A 54 79.992 18.215 -8.627 1.00 0.00 H new ATOM 383 N THR A 55 81.108 14.245 -4.311 1.00 0.00 N ATOM 384 CA THR A 55 81.633 14.218 -2.907 1.00 0.00 C ATOM 385 C THR A 55 83.167 14.250 -2.890 1.00 0.00 C ATOM 386 O THR A 55 83.811 13.834 -3.835 1.00 0.00 O ATOM 387 CB THR A 55 81.098 12.913 -2.288 1.00 0.00 C ATOM 388 OG1 THR A 55 81.566 12.806 -0.951 1.00 0.00 O ATOM 389 CG2 THR A 55 81.559 11.681 -3.083 1.00 0.00 C ATOM 0 H THR A 55 81.671 13.731 -4.989 1.00 0.00 H new ATOM 0 HA THR A 55 81.307 15.091 -2.342 1.00 0.00 H new ATOM 0 HB THR A 55 80.009 12.946 -2.313 1.00 0.00 H new ATOM 0 HG1 THR A 55 80.971 12.217 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.163 10.778 -2.618 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.193 11.751 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.648 11.638 -3.089 1.00 0.00 H new ATOM 397 N ASN A 56 83.741 14.747 -1.818 1.00 0.00 N ATOM 398 CA ASN A 56 85.211 14.581 -1.582 1.00 0.00 C ATOM 399 C ASN A 56 85.468 13.573 -0.450 1.00 0.00 C ATOM 400 O ASN A 56 86.458 13.673 0.255 1.00 0.00 O ATOM 401 CB ASN A 56 85.737 15.982 -1.215 1.00 0.00 C ATOM 402 CG ASN A 56 85.050 16.535 0.047 1.00 0.00 C ATOM 403 OD1 ASN A 56 84.018 16.049 0.468 1.00 0.00 O ATOM 404 ND2 ASN A 56 85.592 17.543 0.674 1.00 0.00 N ATOM 0 H ASN A 56 83.248 15.265 -1.091 1.00 0.00 H new ATOM 0 HA ASN A 56 85.720 14.188 -2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 56 86.814 15.935 -1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 56 85.570 16.664 -2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 56 85.150 17.919 1.513 1.00 0.00 H new ATOM 0 HD22 ASN A 56 86.458 17.955 0.325 1.00 0.00 H new ATOM 411 N GLY A 57 84.584 12.614 -0.279 1.00 0.00 N ATOM 412 CA GLY A 57 84.789 11.544 0.747 1.00 0.00 C ATOM 413 C GLY A 57 84.772 10.176 0.062 1.00 0.00 C ATOM 414 O GLY A 57 85.752 9.768 -0.536 1.00 0.00 O ATOM 0 H GLY A 57 83.720 12.529 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.738 11.694 1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.006 11.595 1.503 1.00 0.00 H new ATOM 418 N HIS A 58 83.664 9.474 0.148 1.00 0.00 N ATOM 419 CA HIS A 58 83.528 8.157 -0.551 1.00 0.00 C ATOM 420 C HIS A 58 82.114 8.023 -1.121 1.00 0.00 C ATOM 421 O HIS A 58 81.249 8.835 -0.845 1.00 0.00 O ATOM 422 CB HIS A 58 83.758 7.075 0.512 1.00 0.00 C ATOM 423 CG HIS A 58 85.065 7.184 1.253 1.00 0.00 C ATOM 424 ND1 HIS A 58 86.081 6.253 1.094 1.00 0.00 N ATOM 425 CD2 HIS A 58 85.532 8.095 2.168 1.00 0.00 C ATOM 426 CE1 HIS A 58 87.098 6.621 1.893 1.00 0.00 C ATOM 427 NE2 HIS A 58 86.817 7.737 2.571 1.00 0.00 N ATOM 0 H HIS A 58 82.842 9.762 0.678 1.00 0.00 H new ATOM 0 HA HIS A 58 84.240 8.067 -1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 58 82.943 7.116 1.234 1.00 0.00 H new ATOM 0 HB3 HIS A 58 83.709 6.098 0.032 1.00 0.00 H new ATOM 0 HD2 HIS A 58 84.987 8.958 2.521 1.00 0.00 H new ATOM 0 HE1 HIS A 58 88.029 6.080 1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 58 87.415 8.223 3.240 1.00 0.00 H new ATOM 435 N CYS A 59 81.884 7.004 -1.914 1.00 0.00 N ATOM 436 CA CYS A 59 80.483 6.595 -2.246 1.00 0.00 C ATOM 437 C CYS A 59 80.037 5.543 -1.230 1.00 0.00 C ATOM 438 O CYS A 59 80.816 4.673 -0.873 1.00 0.00 O ATOM 439 CB CYS A 59 80.525 5.974 -3.653 1.00 0.00 C ATOM 440 SG CYS A 59 81.171 7.142 -4.884 1.00 0.00 S ATOM 0 H CYS A 59 82.611 6.435 -2.348 1.00 0.00 H new ATOM 0 HA CYS A 59 79.792 7.437 -2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.148 5.080 -3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.522 5.659 -3.942 1.00 0.00 H new ATOM 445 N PHE A 60 78.809 5.613 -0.764 1.00 0.00 N ATOM 446 CA PHE A 60 78.324 4.618 0.245 1.00 0.00 C ATOM 447 C PHE A 60 76.988 4.007 -0.204 1.00 0.00 C ATOM 448 O PHE A 60 76.192 4.658 -0.857 1.00 0.00 O ATOM 449 CB PHE A 60 78.199 5.395 1.574 1.00 0.00 C ATOM 450 CG PHE A 60 76.967 6.272 1.717 1.00 0.00 C ATOM 451 CD1 PHE A 60 75.770 5.724 2.276 1.00 0.00 C ATOM 452 CD2 PHE A 60 76.997 7.637 1.294 1.00 0.00 C ATOM 453 CE1 PHE A 60 74.604 6.539 2.412 1.00 0.00 C ATOM 454 CE2 PHE A 60 75.828 8.452 1.428 1.00 0.00 C ATOM 455 CZ PHE A 60 74.634 7.903 1.988 1.00 0.00 C ATOM 0 H PHE A 60 78.124 6.316 -1.040 1.00 0.00 H new ATOM 0 HA PHE A 60 79.008 3.778 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.207 4.677 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.083 6.022 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.747 4.693 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.901 8.053 0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.701 6.124 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.849 9.483 1.106 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.753 8.520 2.091 1.00 0.00 H new ATOM 465 N ALA A 61 76.754 2.765 0.152 1.00 0.00 N ATOM 466 CA ALA A 61 75.456 2.100 -0.173 1.00 0.00 C ATOM 467 C ALA A 61 75.151 1.033 0.879 1.00 0.00 C ATOM 468 O ALA A 61 76.041 0.328 1.323 1.00 0.00 O ATOM 469 CB ALA A 61 75.665 1.461 -1.548 1.00 0.00 C ATOM 0 H ALA A 61 77.417 2.179 0.660 1.00 0.00 H new ATOM 0 HA ALA A 61 74.618 2.797 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 61 74.751 0.952 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 61 75.911 2.235 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.481 0.741 -1.494 1.00 0.00 H new ATOM 475 N ILE A 62 73.906 0.918 1.275 1.00 0.00 N ATOM 476 CA ILE A 62 73.553 0.063 2.449 1.00 0.00 C ATOM 477 C ILE A 62 72.201 -0.636 2.223 1.00 0.00 C ATOM 478 O ILE A 62 71.329 -0.113 1.550 1.00 0.00 O ATOM 479 CB ILE A 62 73.519 1.030 3.653 1.00 0.00 C ATOM 480 CG1 ILE A 62 73.249 0.246 4.943 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.431 2.100 3.473 1.00 0.00 C ATOM 482 CD1 ILE A 62 73.580 1.122 6.152 1.00 0.00 C ATOM 0 H ILE A 62 73.115 1.384 0.831 1.00 0.00 H new ATOM 0 HA ILE A 62 74.271 -0.740 2.614 1.00 0.00 H new ATOM 0 HB ILE A 62 74.488 1.526 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 62 72.205 -0.064 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.852 -0.662 4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.430 2.767 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.633 2.676 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.457 1.618 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 62 73.388 0.564 7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.631 1.410 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.958 2.017 6.134 1.00 0.00 H new ATOM 494 N ILE A 63 72.041 -1.813 2.785 1.00 0.00 N ATOM 495 CA ILE A 63 70.735 -2.542 2.719 1.00 0.00 C ATOM 496 C ILE A 63 70.396 -3.106 4.108 1.00 0.00 C ATOM 497 O ILE A 63 71.276 -3.517 4.841 1.00 0.00 O ATOM 498 CB ILE A 63 70.935 -3.658 1.667 1.00 0.00 C ATOM 499 CG1 ILE A 63 69.642 -4.467 1.512 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.071 -4.605 2.078 1.00 0.00 C ATOM 501 CD1 ILE A 63 69.685 -5.268 0.208 1.00 0.00 C ATOM 0 H ILE A 63 72.774 -2.306 3.295 1.00 0.00 H new ATOM 0 HA ILE A 63 69.902 -1.900 2.433 1.00 0.00 H new ATOM 0 HB ILE A 63 71.195 -3.185 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 63 69.520 -5.141 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 63 68.781 -3.798 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.190 -5.380 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 63 72.999 -4.041 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 63 71.831 -5.067 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 63 68.764 -5.841 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 63 69.786 -4.585 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 63 70.536 -5.949 0.227 1.00 0.00 H new ATOM 513 N GLU A 64 69.129 -3.135 4.455 1.00 0.00 N ATOM 514 CA GLU A 64 68.723 -3.436 5.865 1.00 0.00 C ATOM 515 C GLU A 64 67.375 -4.163 5.872 1.00 0.00 C ATOM 516 O GLU A 64 66.528 -3.908 5.034 1.00 0.00 O ATOM 517 CB GLU A 64 68.595 -2.075 6.556 1.00 0.00 C ATOM 518 CG GLU A 64 69.967 -1.406 6.653 1.00 0.00 C ATOM 519 CD GLU A 64 69.873 -0.183 7.567 1.00 0.00 C ATOM 520 OE1 GLU A 64 70.078 -0.340 8.760 1.00 0.00 O ATOM 521 OE2 GLU A 64 69.597 0.892 7.059 1.00 0.00 O ATOM 0 H GLU A 64 68.354 -2.961 3.815 1.00 0.00 H new ATOM 0 HA GLU A 64 69.445 -4.077 6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 64 67.909 -1.438 5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 64 68.172 -2.202 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.700 -2.111 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.309 -1.108 5.662 1.00 0.00 H new ATOM 528 N GLU A 65 67.181 -5.059 6.814 1.00 0.00 N ATOM 529 CA GLU A 65 65.933 -5.884 6.846 1.00 0.00 C ATOM 530 C GLU A 65 64.963 -5.336 7.899 1.00 0.00 C ATOM 531 O GLU A 65 65.270 -5.313 9.078 1.00 0.00 O ATOM 532 CB GLU A 65 66.421 -7.289 7.222 1.00 0.00 C ATOM 533 CG GLU A 65 65.261 -8.296 7.171 1.00 0.00 C ATOM 534 CD GLU A 65 64.557 -8.386 8.533 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.217 -8.211 9.546 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.366 -8.645 8.538 1.00 0.00 O ATOM 0 H GLU A 65 67.841 -5.254 7.567 1.00 0.00 H new ATOM 0 HA GLU A 65 65.393 -5.877 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.211 -7.601 6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.853 -7.274 8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.545 -7.995 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.638 -9.278 6.886 1.00 0.00 H new ATOM 543 N ASP A 66 63.798 -4.900 7.471 1.00 0.00 N ATOM 544 CA ASP A 66 62.813 -4.276 8.414 1.00 0.00 C ATOM 545 C ASP A 66 61.916 -5.352 9.043 1.00 0.00 C ATOM 546 O ASP A 66 61.996 -6.513 8.688 1.00 0.00 O ATOM 547 CB ASP A 66 61.996 -3.279 7.565 1.00 0.00 C ATOM 548 CG ASP A 66 61.196 -3.985 6.455 1.00 0.00 C ATOM 549 OD1 ASP A 66 61.613 -5.045 6.015 1.00 0.00 O ATOM 550 OD2 ASP A 66 60.175 -3.446 6.063 1.00 0.00 O ATOM 0 H ASP A 66 63.487 -4.951 6.501 1.00 0.00 H new ATOM 0 HA ASP A 66 63.305 -3.768 9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.312 -2.729 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.669 -2.548 7.117 1.00 0.00 H new ATOM 555 N ASP A 67 61.063 -4.964 9.964 1.00 0.00 N ATOM 556 CA ASP A 67 60.257 -5.967 10.749 1.00 0.00 C ATOM 557 C ASP A 67 59.356 -6.827 9.840 1.00 0.00 C ATOM 558 O ASP A 67 58.888 -7.872 10.259 1.00 0.00 O ATOM 559 CB ASP A 67 59.408 -5.155 11.747 1.00 0.00 C ATOM 560 CG ASP A 67 58.500 -4.159 11.012 1.00 0.00 C ATOM 561 OD1 ASP A 67 59.005 -3.140 10.572 1.00 0.00 O ATOM 562 OD2 ASP A 67 57.316 -4.436 10.906 1.00 0.00 O ATOM 0 H ASP A 67 60.887 -3.990 10.210 1.00 0.00 H new ATOM 0 HA ASP A 67 60.919 -6.667 11.259 1.00 0.00 H new ATOM 0 HB2 ASP A 67 58.801 -5.832 12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 67 60.062 -4.618 12.434 1.00 0.00 H new ATOM 567 N GLN A 68 59.113 -6.403 8.616 1.00 0.00 N ATOM 568 CA GLN A 68 58.272 -7.216 7.675 1.00 0.00 C ATOM 569 C GLN A 68 59.129 -8.157 6.808 1.00 0.00 C ATOM 570 O GLN A 68 58.595 -9.029 6.145 1.00 0.00 O ATOM 571 CB GLN A 68 57.551 -6.193 6.796 1.00 0.00 C ATOM 572 CG GLN A 68 56.490 -5.462 7.624 1.00 0.00 C ATOM 573 CD GLN A 68 55.315 -6.404 7.896 1.00 0.00 C ATOM 574 OE1 GLN A 68 55.383 -7.242 8.773 1.00 0.00 O ATOM 575 NE2 GLN A 68 54.232 -6.300 7.175 1.00 0.00 N ATOM 0 H GLN A 68 59.463 -5.526 8.229 1.00 0.00 H new ATOM 0 HA GLN A 68 57.581 -7.858 8.222 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.267 -5.478 6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 68 57.084 -6.693 5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 68 56.920 -5.119 8.565 1.00 0.00 H new ATOM 0 HG3 GLN A 68 56.144 -4.577 7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 68 54.175 -5.596 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 68 53.443 -6.922 7.348 1.00 0.00 H new ATOM 584 N GLY A 69 60.438 -7.992 6.804 1.00 0.00 N ATOM 585 CA GLY A 69 61.330 -8.918 6.037 1.00 0.00 C ATOM 586 C GLY A 69 61.572 -8.398 4.610 1.00 0.00 C ATOM 587 O GLY A 69 61.933 -9.163 3.733 1.00 0.00 O ATOM 0 H GLY A 69 60.925 -7.248 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.283 -9.023 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.880 -9.910 5.995 1.00 0.00 H new ATOM 591 N GLU A 70 61.381 -7.115 4.371 1.00 0.00 N ATOM 592 CA GLU A 70 61.800 -6.508 3.071 1.00 0.00 C ATOM 593 C GLU A 70 63.164 -5.829 3.229 1.00 0.00 C ATOM 594 O GLU A 70 63.459 -5.271 4.271 1.00 0.00 O ATOM 595 CB GLU A 70 60.722 -5.470 2.747 1.00 0.00 C ATOM 596 CG GLU A 70 59.401 -6.180 2.445 1.00 0.00 C ATOM 597 CD GLU A 70 58.340 -5.147 2.054 1.00 0.00 C ATOM 598 OE1 GLU A 70 58.657 -4.267 1.271 1.00 0.00 O ATOM 599 OE2 GLU A 70 57.228 -5.256 2.546 1.00 0.00 O ATOM 0 H GLU A 70 60.950 -6.465 5.028 1.00 0.00 H new ATOM 0 HA GLU A 70 61.898 -7.251 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.596 -4.787 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 70 61.027 -4.869 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.539 -6.898 1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 70 59.071 -6.743 3.318 1.00 0.00 H new ATOM 606 N THR A 71 63.986 -5.881 2.205 1.00 0.00 N ATOM 607 CA THR A 71 65.307 -5.178 2.248 1.00 0.00 C ATOM 608 C THR A 71 65.192 -3.794 1.602 1.00 0.00 C ATOM 609 O THR A 71 64.708 -3.663 0.492 1.00 0.00 O ATOM 610 CB THR A 71 66.267 -6.062 1.444 1.00 0.00 C ATOM 611 OG1 THR A 71 65.643 -6.469 0.233 1.00 0.00 O ATOM 612 CG2 THR A 71 66.639 -7.292 2.271 1.00 0.00 C ATOM 0 H THR A 71 63.796 -6.383 1.338 1.00 0.00 H new ATOM 0 HA THR A 71 65.654 -5.028 3.270 1.00 0.00 H new ATOM 0 HB THR A 71 67.169 -5.497 1.209 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.141 -5.717 -0.145 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.322 -7.921 1.700 1.00 0.00 H new ATOM 0 HG22 THR A 71 67.123 -6.976 3.195 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.738 -7.857 2.509 1.00 0.00 H new ATOM 620 N THR A 72 65.632 -2.770 2.298 1.00 0.00 N ATOM 621 CA THR A 72 65.588 -1.383 1.737 1.00 0.00 C ATOM 622 C THR A 72 66.948 -1.000 1.149 1.00 0.00 C ATOM 623 O THR A 72 67.933 -0.911 1.862 1.00 0.00 O ATOM 624 CB THR A 72 65.246 -0.482 2.927 1.00 0.00 C ATOM 625 OG1 THR A 72 66.088 -0.806 4.025 1.00 0.00 O ATOM 626 CG2 THR A 72 63.785 -0.694 3.323 1.00 0.00 C ATOM 0 H THR A 72 66.022 -2.838 3.238 1.00 0.00 H new ATOM 0 HA THR A 72 64.859 -1.291 0.932 1.00 0.00 H new ATOM 0 HB THR A 72 65.399 0.561 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 72 67.001 -0.959 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.541 -0.053 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 72 63.140 -0.444 2.481 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.631 -1.737 3.601 1.00 0.00 H new ATOM 634 N LEU A 73 67.000 -0.776 -0.146 1.00 0.00 N ATOM 635 CA LEU A 73 68.287 -0.407 -0.816 1.00 0.00 C ATOM 636 C LEU A 73 68.383 1.110 -0.991 1.00 0.00 C ATOM 637 O LEU A 73 67.489 1.730 -1.541 1.00 0.00 O ATOM 638 CB LEU A 73 68.234 -1.097 -2.180 1.00 0.00 C ATOM 639 CG LEU A 73 68.630 -2.566 -2.029 1.00 0.00 C ATOM 640 CD1 LEU A 73 68.067 -3.372 -3.201 1.00 0.00 C ATOM 641 CD2 LEU A 73 70.156 -2.682 -2.019 1.00 0.00 C ATOM 0 H LEU A 73 66.196 -0.834 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 73 69.155 -0.714 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.230 -1.022 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 73 68.907 -0.598 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 73 68.227 -2.956 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 73 68.350 -4.419 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 73 66.980 -3.289 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 73 68.469 -2.983 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 73 70.441 -3.729 -1.911 1.00 0.00 H new ATOM 0 HD22 LEU A 73 70.557 -2.291 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.559 -2.109 -1.184 1.00 0.00 H new ATOM 653 N ALA A 74 69.461 1.704 -0.525 1.00 0.00 N ATOM 654 CA ALA A 74 69.687 3.167 -0.748 1.00 0.00 C ATOM 655 C ALA A 74 71.186 3.475 -0.804 1.00 0.00 C ATOM 656 O ALA A 74 71.978 2.846 -0.125 1.00 0.00 O ATOM 657 CB ALA A 74 69.044 3.854 0.458 1.00 0.00 C ATOM 0 H ALA A 74 70.196 1.233 0.003 1.00 0.00 H new ATOM 0 HA ALA A 74 69.260 3.509 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.167 4.933 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 74 67.982 3.611 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.524 3.507 1.373 1.00 0.00 H new ATOM 663 N SER A 75 71.568 4.439 -1.612 1.00 0.00 N ATOM 664 CA SER A 75 72.997 4.879 -1.670 1.00 0.00 C ATOM 665 C SER A 75 73.061 6.394 -1.884 1.00 0.00 C ATOM 666 O SER A 75 72.066 7.015 -2.214 1.00 0.00 O ATOM 667 CB SER A 75 73.603 4.133 -2.860 1.00 0.00 C ATOM 668 OG SER A 75 72.995 4.591 -4.061 1.00 0.00 O ATOM 0 H SER A 75 70.942 4.943 -2.239 1.00 0.00 H new ATOM 0 HA SER A 75 73.539 4.662 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.680 4.299 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.450 3.060 -2.747 1.00 0.00 H new ATOM 0 HG SER A 75 73.383 4.116 -4.826 1.00 0.00 H new ATOM 674 N GLY A 76 74.222 6.984 -1.700 1.00 0.00 N ATOM 675 CA GLY A 76 74.359 8.466 -1.863 1.00 0.00 C ATOM 676 C GLY A 76 75.808 8.895 -1.613 1.00 0.00 C ATOM 677 O GLY A 76 76.705 8.071 -1.551 1.00 0.00 O ATOM 0 H GLY A 76 75.082 6.499 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.054 8.758 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.695 8.978 -1.167 1.00 0.00 H new ATOM 681 N CYS A 77 76.028 10.184 -1.466 1.00 0.00 N ATOM 682 CA CYS A 77 77.416 10.723 -1.311 1.00 0.00 C ATOM 683 C CYS A 77 77.742 10.922 0.172 1.00 0.00 C ATOM 684 O CYS A 77 76.953 11.484 0.911 1.00 0.00 O ATOM 685 CB CYS A 77 77.397 12.076 -2.035 1.00 0.00 C ATOM 686 SG CYS A 77 77.811 11.854 -3.785 1.00 0.00 S ATOM 0 H CYS A 77 75.293 10.891 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 77 78.169 10.048 -1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.412 12.533 -1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.109 12.757 -1.569 1.00 0.00 H new ATOM 691 N MET A 78 78.898 10.466 0.603 1.00 0.00 N ATOM 692 CA MET A 78 79.323 10.673 2.022 1.00 0.00 C ATOM 693 C MET A 78 80.253 11.885 2.118 1.00 0.00 C ATOM 694 O MET A 78 81.292 11.924 1.481 1.00 0.00 O ATOM 695 CB MET A 78 80.065 9.389 2.404 1.00 0.00 C ATOM 696 CG MET A 78 80.155 9.286 3.929 1.00 0.00 C ATOM 697 SD MET A 78 80.979 7.739 4.382 1.00 0.00 S ATOM 698 CE MET A 78 79.567 6.636 4.120 1.00 0.00 C ATOM 0 H MET A 78 79.567 9.956 0.026 1.00 0.00 H new ATOM 0 HA MET A 78 78.480 10.866 2.686 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.543 8.521 2.000 1.00 0.00 H new ATOM 0 HB3 MET A 78 81.065 9.391 1.969 1.00 0.00 H new ATOM 0 HG2 MET A 78 80.708 10.136 4.330 1.00 0.00 H new ATOM 0 HG3 MET A 78 79.157 9.320 4.366 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.134 6.364 5.083 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.816 7.144 3.515 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.900 5.735 3.604 1.00 0.00 H new ATOM 708 N LYS A 79 79.885 12.866 2.913 1.00 0.00 N ATOM 709 CA LYS A 79 80.702 14.122 3.015 1.00 0.00 C ATOM 710 C LYS A 79 82.057 13.833 3.676 1.00 0.00 C ATOM 711 O LYS A 79 82.252 12.782 4.263 1.00 0.00 O ATOM 712 CB LYS A 79 79.874 15.117 3.853 1.00 0.00 C ATOM 713 CG LYS A 79 79.587 14.560 5.258 1.00 0.00 C ATOM 714 CD LYS A 79 79.053 15.683 6.149 1.00 0.00 C ATOM 715 CE LYS A 79 79.301 15.338 7.620 1.00 0.00 C ATOM 716 NZ LYS A 79 79.222 16.640 8.338 1.00 0.00 N ATOM 0 H LYS A 79 79.050 12.850 3.498 1.00 0.00 H new ATOM 0 HA LYS A 79 80.918 14.535 2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 79 80.412 16.061 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 79 78.934 15.330 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 79 78.860 13.750 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 79 80.497 14.141 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 79 79.544 16.623 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 79 77.986 15.823 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 79 78.555 14.636 7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 79 80.276 14.870 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 79.382 16.486 9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 79.948 17.286 7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 78.281 17.059 8.195 1.00 0.00 H new ATOM 730 N TYR A 80 82.983 14.762 3.578 1.00 0.00 N ATOM 731 CA TYR A 80 84.312 14.599 4.260 1.00 0.00 C ATOM 732 C TYR A 80 84.134 14.623 5.783 1.00 0.00 C ATOM 733 O TYR A 80 83.252 15.289 6.295 1.00 0.00 O ATOM 734 CB TYR A 80 85.165 15.791 3.812 1.00 0.00 C ATOM 735 CG TYR A 80 86.595 15.723 4.293 1.00 0.00 C ATOM 736 CD1 TYR A 80 87.589 15.076 3.493 1.00 0.00 C ATOM 737 CD2 TYR A 80 86.955 16.305 5.548 1.00 0.00 C ATOM 738 CE1 TYR A 80 88.941 15.013 3.948 1.00 0.00 C ATOM 739 CE2 TYR A 80 88.310 16.241 6.002 1.00 0.00 C ATOM 740 CZ TYR A 80 89.302 15.594 5.203 1.00 0.00 C ATOM 741 OH TYR A 80 90.608 15.533 5.643 1.00 0.00 O ATOM 0 H TYR A 80 82.875 15.630 3.053 1.00 0.00 H new ATOM 0 HA TYR A 80 84.780 13.649 4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 80 85.158 15.844 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 80 84.710 16.711 4.178 1.00 0.00 H new ATOM 0 HD1 TYR A 80 87.317 14.635 2.545 1.00 0.00 H new ATOM 0 HD2 TYR A 80 86.205 16.793 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 80 89.692 14.526 3.343 1.00 0.00 H new ATOM 0 HE2 TYR A 80 88.583 16.682 6.949 1.00 0.00 H new ATOM 0 HH TYR A 80 90.681 15.977 6.514 1.00 0.00 H new ATOM 751 N GLU A 81 84.967 13.899 6.496 1.00 0.00 N ATOM 752 CA GLU A 81 84.847 13.833 7.987 1.00 0.00 C ATOM 753 C GLU A 81 86.233 13.857 8.638 1.00 0.00 C ATOM 754 O GLU A 81 86.468 14.607 9.570 1.00 0.00 O ATOM 755 CB GLU A 81 84.147 12.503 8.267 1.00 0.00 C ATOM 756 CG GLU A 81 82.703 12.569 7.766 1.00 0.00 C ATOM 757 CD GLU A 81 81.976 11.267 8.119 1.00 0.00 C ATOM 758 OE1 GLU A 81 82.125 10.812 9.241 1.00 0.00 O ATOM 759 OE2 GLU A 81 81.283 10.748 7.259 1.00 0.00 O ATOM 0 H GLU A 81 85.730 13.347 6.104 1.00 0.00 H new ATOM 0 HA GLU A 81 84.295 14.681 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 81 84.678 11.690 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 81 84.163 12.290 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.189 13.418 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 81 82.689 12.724 6.687 1.00 0.00 H new ATOM 766 N GLY A 82 87.143 13.043 8.151 1.00 0.00 N ATOM 767 CA GLY A 82 88.505 12.957 8.759 1.00 0.00 C ATOM 768 C GLY A 82 89.071 11.546 8.563 1.00 0.00 C ATOM 769 O GLY A 82 90.265 11.375 8.392 1.00 0.00 O ATOM 0 H GLY A 82 86.995 12.430 7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.166 13.691 8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 82 88.455 13.195 9.822 1.00 0.00 H new ATOM 773 N SER A 83 88.219 10.543 8.590 1.00 0.00 N ATOM 774 CA SER A 83 88.686 9.134 8.372 1.00 0.00 C ATOM 775 C SER A 83 89.061 8.931 6.901 1.00 0.00 C ATOM 776 O SER A 83 88.252 9.152 6.017 1.00 0.00 O ATOM 777 CB SER A 83 87.504 8.235 8.749 1.00 0.00 C ATOM 778 OG SER A 83 87.533 7.982 10.147 1.00 0.00 O ATOM 0 H SER A 83 87.217 10.642 8.754 1.00 0.00 H new ATOM 0 HA SER A 83 89.567 8.903 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 83 86.565 8.715 8.474 1.00 0.00 H new ATOM 0 HB3 SER A 83 87.556 7.297 8.197 1.00 0.00 H new ATOM 0 HG SER A 83 88.454 8.057 10.474 1.00 0.00 H new ATOM 784 N ASP A 84 90.280 8.510 6.644 1.00 0.00 N ATOM 785 CA ASP A 84 90.741 8.311 5.229 1.00 0.00 C ATOM 786 C ASP A 84 90.140 7.023 4.647 1.00 0.00 C ATOM 787 O ASP A 84 89.723 6.996 3.501 1.00 0.00 O ATOM 788 CB ASP A 84 92.280 8.241 5.277 1.00 0.00 C ATOM 789 CG ASP A 84 92.758 7.088 6.173 1.00 0.00 C ATOM 790 OD1 ASP A 84 92.421 7.094 7.345 1.00 0.00 O ATOM 791 OD2 ASP A 84 93.452 6.220 5.668 1.00 0.00 O ATOM 0 H ASP A 84 90.978 8.295 7.356 1.00 0.00 H new ATOM 0 HA ASP A 84 90.415 9.127 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 84 92.672 8.107 4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 84 92.678 9.184 5.651 1.00 0.00 H new ATOM 796 N PHE A 85 90.101 5.969 5.431 1.00 0.00 N ATOM 797 CA PHE A 85 89.526 4.674 4.946 1.00 0.00 C ATOM 798 C PHE A 85 89.041 3.822 6.125 1.00 0.00 C ATOM 799 O PHE A 85 89.073 2.605 6.065 1.00 0.00 O ATOM 800 CB PHE A 85 90.674 3.979 4.209 1.00 0.00 C ATOM 801 CG PHE A 85 90.248 2.733 3.468 1.00 0.00 C ATOM 802 CD1 PHE A 85 89.519 2.843 2.244 1.00 0.00 C ATOM 803 CD2 PHE A 85 90.577 1.445 3.991 1.00 0.00 C ATOM 804 CE1 PHE A 85 89.118 1.664 1.543 1.00 0.00 C ATOM 805 CE2 PHE A 85 90.176 0.265 3.289 1.00 0.00 C ATOM 806 CZ PHE A 85 89.445 0.375 2.065 1.00 0.00 C ATOM 0 H PHE A 85 90.445 5.952 6.391 1.00 0.00 H new ATOM 0 HA PHE A 85 88.662 4.827 4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 85 91.118 4.679 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 85 91.451 3.717 4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 85 89.271 3.817 1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 85 91.128 1.362 4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 85 88.567 1.748 0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 85 90.425 -0.709 3.683 1.00 0.00 H new ATOM 0 HZ PHE A 85 89.140 -0.516 1.536 1.00 0.00 H new ATOM 816 N GLN A 86 88.593 4.454 7.190 1.00 0.00 N ATOM 817 CA GLN A 86 88.076 3.689 8.373 1.00 0.00 C ATOM 818 C GLN A 86 86.662 3.167 8.080 1.00 0.00 C ATOM 819 O GLN A 86 85.673 3.769 8.465 1.00 0.00 O ATOM 820 CB GLN A 86 88.066 4.681 9.544 1.00 0.00 C ATOM 821 CG GLN A 86 89.504 5.075 9.891 1.00 0.00 C ATOM 822 CD GLN A 86 89.504 5.958 11.141 1.00 0.00 C ATOM 823 OE1 GLN A 86 89.762 7.143 11.063 1.00 0.00 O ATOM 824 NE2 GLN A 86 89.223 5.426 12.300 1.00 0.00 N ATOM 0 H GLN A 86 88.564 5.469 7.289 1.00 0.00 H new ATOM 0 HA GLN A 86 88.695 2.822 8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 86 87.489 5.567 9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 86 87.581 4.232 10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 86 90.105 4.182 10.063 1.00 0.00 H new ATOM 0 HG3 GLN A 86 89.958 5.609 9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 86 89.006 4.431 12.366 1.00 0.00 H new ATOM 0 HE22 GLN A 86 89.220 6.005 13.140 1.00 0.00 H new ATOM 833 N CYS A 87 86.572 2.048 7.395 1.00 0.00 N ATOM 834 CA CYS A 87 85.240 1.452 7.059 1.00 0.00 C ATOM 835 C CYS A 87 85.095 0.068 7.707 1.00 0.00 C ATOM 836 O CYS A 87 84.444 -0.808 7.165 1.00 0.00 O ATOM 837 CB CYS A 87 85.247 1.336 5.533 1.00 0.00 C ATOM 838 SG CYS A 87 83.569 1.000 4.937 1.00 0.00 S ATOM 0 H CYS A 87 87.374 1.519 7.052 1.00 0.00 H new ATOM 0 HA CYS A 87 84.408 2.055 7.424 1.00 0.00 H new ATOM 0 HB2 CYS A 87 85.622 2.259 5.090 1.00 0.00 H new ATOM 0 HB3 CYS A 87 85.920 0.537 5.223 1.00 0.00 H new ATOM 843 N LYS A 88 85.698 -0.124 8.862 1.00 0.00 N ATOM 844 CA LYS A 88 85.636 -1.456 9.551 1.00 0.00 C ATOM 845 C LYS A 88 84.344 -1.578 10.365 1.00 0.00 C ATOM 846 O LYS A 88 83.463 -0.741 10.263 1.00 0.00 O ATOM 847 CB LYS A 88 86.854 -1.496 10.481 1.00 0.00 C ATOM 848 CG LYS A 88 88.135 -1.527 9.644 1.00 0.00 C ATOM 849 CD LYS A 88 89.343 -1.688 10.569 1.00 0.00 C ATOM 850 CE LYS A 88 90.631 -1.607 9.745 1.00 0.00 C ATOM 851 NZ LYS A 88 91.731 -1.719 10.743 1.00 0.00 N ATOM 0 H LYS A 88 86.232 0.589 9.358 1.00 0.00 H new ATOM 0 HA LYS A 88 85.644 -2.279 8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 88 86.855 -0.623 11.134 1.00 0.00 H new ATOM 0 HB3 LYS A 88 86.805 -2.375 11.124 1.00 0.00 H new ATOM 0 HG2 LYS A 88 88.097 -2.351 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 88 88.226 -0.608 9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 88 89.337 -0.909 11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 88 89.291 -2.644 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 88 90.681 -2.410 9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 88 90.690 -0.668 9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 92.648 -1.672 10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 91.661 -0.938 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 91.653 -2.626 11.246 1.00 0.00 H new ATOM 865 N ASP A 89 84.235 -2.614 11.167 1.00 0.00 N ATOM 866 CA ASP A 89 83.022 -2.805 12.022 1.00 0.00 C ATOM 867 C ASP A 89 83.357 -2.515 13.488 1.00 0.00 C ATOM 868 O ASP A 89 84.225 -3.149 14.065 1.00 0.00 O ATOM 869 CB ASP A 89 82.636 -4.275 11.841 1.00 0.00 C ATOM 870 CG ASP A 89 82.148 -4.505 10.409 1.00 0.00 C ATOM 871 OD1 ASP A 89 81.370 -3.695 9.930 1.00 0.00 O ATOM 872 OD2 ASP A 89 82.558 -5.490 9.816 1.00 0.00 O ATOM 0 H ASP A 89 84.944 -3.341 11.265 1.00 0.00 H new ATOM 0 HA ASP A 89 82.210 -2.133 11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 89 83.493 -4.915 12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 89 81.854 -4.546 12.550 1.00 0.00 H new ATOM 877 N SER A 90 82.674 -1.564 14.085 1.00 0.00 N ATOM 878 CA SER A 90 82.975 -1.171 15.499 1.00 0.00 C ATOM 879 C SER A 90 82.292 -2.143 16.475 1.00 0.00 C ATOM 880 O SER A 90 81.516 -2.976 16.046 1.00 0.00 O ATOM 881 CB SER A 90 82.402 0.241 15.665 1.00 0.00 C ATOM 882 OG SER A 90 83.384 1.194 15.285 1.00 0.00 O ATOM 0 H SER A 90 81.915 -1.040 13.649 1.00 0.00 H new ATOM 0 HA SER A 90 84.044 -1.199 15.710 1.00 0.00 H new ATOM 0 HB2 SER A 90 81.509 0.358 15.051 1.00 0.00 H new ATOM 0 HB3 SER A 90 82.101 0.405 16.700 1.00 0.00 H new ATOM 0 HG SER A 90 83.020 2.098 15.388 1.00 0.00 H new ATOM 888 N PRO A 91 82.592 -2.019 17.759 1.00 0.00 N ATOM 889 CA PRO A 91 81.883 -2.826 18.797 1.00 0.00 C ATOM 890 C PRO A 91 80.574 -2.147 19.239 1.00 0.00 C ATOM 891 O PRO A 91 80.326 -1.961 20.420 1.00 0.00 O ATOM 892 CB PRO A 91 82.915 -2.839 19.921 1.00 0.00 C ATOM 893 CG PRO A 91 83.502 -1.471 19.848 1.00 0.00 C ATOM 894 CD PRO A 91 83.622 -1.154 18.382 1.00 0.00 C ATOM 0 HA PRO A 91 81.577 -3.817 18.462 1.00 0.00 H new ATOM 0 HB2 PRO A 91 82.455 -3.030 20.890 1.00 0.00 H new ATOM 0 HB3 PRO A 91 83.669 -3.611 19.769 1.00 0.00 H new ATOM 0 HG2 PRO A 91 82.866 -0.745 20.354 1.00 0.00 H new ATOM 0 HG3 PRO A 91 84.476 -1.437 20.336 1.00 0.00 H new ATOM 0 HD2 PRO A 91 83.435 -0.099 18.182 1.00 0.00 H new ATOM 0 HD3 PRO A 91 84.619 -1.379 18.002 1.00 0.00 H new ATOM 902 N LYS A 92 79.740 -1.779 18.292 1.00 0.00 N ATOM 903 CA LYS A 92 78.445 -1.103 18.610 1.00 0.00 C ATOM 904 C LYS A 92 77.461 -1.337 17.459 1.00 0.00 C ATOM 905 O LYS A 92 76.778 -0.431 17.012 1.00 0.00 O ATOM 906 CB LYS A 92 78.792 0.382 18.758 1.00 0.00 C ATOM 907 CG LYS A 92 77.615 1.117 19.400 1.00 0.00 C ATOM 908 CD LYS A 92 77.620 0.867 20.910 1.00 0.00 C ATOM 909 CE LYS A 92 76.483 1.658 21.562 1.00 0.00 C ATOM 910 NZ LYS A 92 76.688 1.486 23.027 1.00 0.00 N ATOM 0 H LYS A 92 79.908 -1.923 17.296 1.00 0.00 H new ATOM 0 HA LYS A 92 77.974 -1.484 19.516 1.00 0.00 H new ATOM 0 HB2 LYS A 92 79.686 0.499 19.371 1.00 0.00 H new ATOM 0 HB3 LYS A 92 79.016 0.813 17.782 1.00 0.00 H new ATOM 0 HG2 LYS A 92 77.685 2.186 19.197 1.00 0.00 H new ATOM 0 HG3 LYS A 92 76.676 0.772 18.966 1.00 0.00 H new ATOM 0 HD2 LYS A 92 77.500 -0.197 21.114 1.00 0.00 H new ATOM 0 HD3 LYS A 92 78.577 1.167 21.336 1.00 0.00 H new ATOM 0 HE2 LYS A 92 76.520 2.710 21.279 1.00 0.00 H new ATOM 0 HE3 LYS A 92 75.509 1.279 21.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 75.946 2.000 23.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 76.641 0.475 23.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 77.620 1.862 23.294 1.00 0.00 H new ATOM 924 N ALA A 93 77.389 -2.560 16.987 1.00 0.00 N ATOM 925 CA ALA A 93 76.769 -2.827 15.647 1.00 0.00 C ATOM 926 C ALA A 93 75.248 -2.670 15.711 1.00 0.00 C ATOM 927 O ALA A 93 74.701 -2.248 16.713 1.00 0.00 O ATOM 928 CB ALA A 93 77.151 -4.269 15.292 1.00 0.00 C ATOM 0 H ALA A 93 77.734 -3.388 17.473 1.00 0.00 H new ATOM 0 HA ALA A 93 77.123 -2.122 14.895 1.00 0.00 H new ATOM 0 HB1 ALA A 93 76.728 -4.529 14.321 1.00 0.00 H new ATOM 0 HB2 ALA A 93 78.237 -4.358 15.251 1.00 0.00 H new ATOM 0 HB3 ALA A 93 76.760 -4.946 16.051 1.00 0.00 H new ATOM 934 N GLN A 94 74.573 -3.013 14.638 1.00 0.00 N ATOM 935 CA GLN A 94 73.131 -2.648 14.478 1.00 0.00 C ATOM 936 C GLN A 94 72.338 -3.869 13.990 1.00 0.00 C ATOM 937 O GLN A 94 72.843 -4.976 13.981 1.00 0.00 O ATOM 938 CB GLN A 94 73.113 -1.520 13.429 1.00 0.00 C ATOM 939 CG GLN A 94 72.097 -0.445 13.828 1.00 0.00 C ATOM 940 CD GLN A 94 72.744 0.540 14.805 1.00 0.00 C ATOM 941 OE1 GLN A 94 73.660 1.254 14.449 1.00 0.00 O ATOM 942 NE2 GLN A 94 72.306 0.605 16.032 1.00 0.00 N ATOM 0 H GLN A 94 74.967 -3.537 13.857 1.00 0.00 H new ATOM 0 HA GLN A 94 72.674 -2.326 15.414 1.00 0.00 H new ATOM 0 HB2 GLN A 94 74.106 -1.078 13.342 1.00 0.00 H new ATOM 0 HB3 GLN A 94 72.858 -1.927 12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 94 71.746 0.084 12.942 1.00 0.00 H new ATOM 0 HG3 GLN A 94 71.225 -0.909 14.288 1.00 0.00 H new ATOM 0 HE21 GLN A 94 71.537 0.006 16.331 1.00 0.00 H new ATOM 0 HE22 GLN A 94 72.733 1.255 16.692 1.00 0.00 H new ATOM 951 N LEU A 95 71.103 -3.661 13.587 1.00 0.00 N ATOM 952 CA LEU A 95 70.234 -4.801 13.119 1.00 0.00 C ATOM 953 C LEU A 95 70.837 -5.416 11.846 1.00 0.00 C ATOM 954 O LEU A 95 71.715 -4.832 11.237 1.00 0.00 O ATOM 955 CB LEU A 95 68.862 -4.163 12.822 1.00 0.00 C ATOM 956 CG LEU A 95 67.722 -5.162 13.062 1.00 0.00 C ATOM 957 CD1 LEU A 95 67.643 -5.526 14.547 1.00 0.00 C ATOM 958 CD2 LEU A 95 66.399 -4.523 12.632 1.00 0.00 C ATOM 0 H LEU A 95 70.654 -2.745 13.561 1.00 0.00 H new ATOM 0 HA LEU A 95 70.152 -5.600 13.856 1.00 0.00 H new ATOM 0 HB2 LEU A 95 68.721 -3.287 13.455 1.00 0.00 H new ATOM 0 HB3 LEU A 95 68.835 -3.817 11.789 1.00 0.00 H new ATOM 0 HG LEU A 95 67.910 -6.066 12.482 1.00 0.00 H new ATOM 0 HD11 LEU A 95 66.831 -6.235 14.705 1.00 0.00 H new ATOM 0 HD12 LEU A 95 68.584 -5.976 14.862 1.00 0.00 H new ATOM 0 HD13 LEU A 95 67.458 -4.626 15.133 1.00 0.00 H new ATOM 0 HD21 LEU A 95 65.584 -5.227 12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 95 66.224 -3.620 13.216 1.00 0.00 H new ATOM 0 HD23 LEU A 95 66.446 -4.267 11.574 1.00 0.00 H new ATOM 970 N ARG A 96 70.371 -6.578 11.445 1.00 0.00 N ATOM 971 CA ARG A 96 71.118 -7.386 10.421 1.00 0.00 C ATOM 972 C ARG A 96 71.077 -6.683 9.063 1.00 0.00 C ATOM 973 O ARG A 96 70.016 -6.394 8.537 1.00 0.00 O ATOM 974 CB ARG A 96 70.393 -8.734 10.336 1.00 0.00 C ATOM 975 CG ARG A 96 71.240 -9.720 9.531 1.00 0.00 C ATOM 976 CD ARG A 96 70.480 -11.042 9.376 1.00 0.00 C ATOM 977 NE ARG A 96 70.385 -11.621 10.760 1.00 0.00 N ATOM 978 CZ ARG A 96 69.453 -12.499 11.097 1.00 0.00 C ATOM 979 NH1 ARG A 96 68.556 -12.944 10.244 1.00 0.00 N ATOM 980 NH2 ARG A 96 69.430 -12.947 12.322 1.00 0.00 N ATOM 0 H ARG A 96 69.507 -7.002 11.782 1.00 0.00 H new ATOM 0 HA ARG A 96 72.165 -7.510 10.696 1.00 0.00 H new ATOM 0 HB2 ARG A 96 70.213 -9.126 11.337 1.00 0.00 H new ATOM 0 HB3 ARG A 96 69.419 -8.606 9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 96 71.468 -9.303 8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 96 72.192 -9.893 10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 96 69.490 -10.877 8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 96 71.006 -11.720 8.703 1.00 0.00 H new ATOM 0 HE ARG A 96 71.062 -11.327 11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 96 68.561 -12.612 9.279 1.00 0.00 H new ATOM 0 HH12 ARG A 96 67.856 -13.621 10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 96 70.121 -12.620 12.998 1.00 0.00 H new ATOM 0 HH22 ARG A 96 68.721 -13.624 12.604 1.00 0.00 H new ATOM 994 N ARG A 97 72.234 -6.414 8.501 1.00 0.00 N ATOM 995 CA ARG A 97 72.317 -5.553 7.282 1.00 0.00 C ATOM 996 C ARG A 97 73.659 -5.762 6.570 1.00 0.00 C ATOM 997 O ARG A 97 74.582 -6.328 7.129 1.00 0.00 O ATOM 998 CB ARG A 97 72.162 -4.103 7.778 1.00 0.00 C ATOM 999 CG ARG A 97 73.280 -3.733 8.765 1.00 0.00 C ATOM 1000 CD ARG A 97 73.017 -2.339 9.339 1.00 0.00 C ATOM 1001 NE ARG A 97 74.279 -1.976 10.059 1.00 0.00 N ATOM 1002 CZ ARG A 97 75.360 -1.554 9.425 1.00 0.00 C ATOM 1003 NH1 ARG A 97 75.408 -1.424 8.117 1.00 0.00 N ATOM 1004 NH2 ARG A 97 76.421 -1.256 10.125 1.00 0.00 N ATOM 0 H ARG A 97 73.132 -6.759 8.841 1.00 0.00 H new ATOM 0 HA ARG A 97 71.542 -5.800 6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 97 72.182 -3.421 6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 97 71.192 -3.982 8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 97 73.326 -4.466 9.570 1.00 0.00 H new ATOM 0 HG3 ARG A 97 74.246 -3.753 8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 97 72.792 -1.622 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 97 72.163 -2.345 10.016 1.00 0.00 H new ATOM 0 HE ARG A 97 74.306 -2.057 11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 97 74.590 -1.652 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 97 76.263 -1.095 7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 97 76.405 -1.351 11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 97 77.266 -0.929 9.656 1.00 0.00 H new ATOM 1018 N THR A 98 73.758 -5.307 5.344 1.00 0.00 N ATOM 1019 CA THR A 98 75.068 -5.315 4.621 1.00 0.00 C ATOM 1020 C THR A 98 75.381 -3.906 4.114 1.00 0.00 C ATOM 1021 O THR A 98 74.482 -3.154 3.788 1.00 0.00 O ATOM 1022 CB THR A 98 74.873 -6.281 3.450 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.302 -7.491 3.925 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.226 -6.573 2.800 1.00 0.00 C ATOM 0 H THR A 98 72.978 -4.926 4.808 1.00 0.00 H new ATOM 0 HA THR A 98 75.897 -5.622 5.258 1.00 0.00 H new ATOM 0 HB THR A 98 74.207 -5.831 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 98 75.004 -8.167 4.024 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.088 -7.261 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 98 76.663 -5.643 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 98 76.893 -7.023 3.535 1.00 0.00 H new ATOM 1032 N ILE A 99 76.643 -3.552 4.049 1.00 0.00 N ATOM 1033 CA ILE A 99 77.031 -2.170 3.625 1.00 0.00 C ATOM 1034 C ILE A 99 78.313 -2.215 2.781 1.00 0.00 C ATOM 1035 O ILE A 99 79.097 -3.144 2.885 1.00 0.00 O ATOM 1036 CB ILE A 99 77.218 -1.375 4.936 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.544 0.088 4.611 1.00 0.00 C ATOM 1038 CG2 ILE A 99 78.346 -1.973 5.788 1.00 0.00 C ATOM 1039 CD1 ILE A 99 77.383 0.945 5.868 1.00 0.00 C ATOM 0 H ILE A 99 77.426 -4.166 4.273 1.00 0.00 H new ATOM 0 HA ILE A 99 76.278 -1.697 2.995 1.00 0.00 H new ATOM 0 HB ILE A 99 76.289 -1.431 5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.563 0.168 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.883 0.452 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 99 78.456 -1.394 6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 99 78.104 -3.006 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 99 79.280 -1.945 5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.616 1.984 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 99 76.356 0.875 6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 99 78.063 0.587 6.642 1.00 0.00 H new ATOM 1051 N GLU A 100 78.517 -1.216 1.953 1.00 0.00 N ATOM 1052 CA GLU A 100 79.749 -1.159 1.107 1.00 0.00 C ATOM 1053 C GLU A 100 80.257 0.283 0.999 1.00 0.00 C ATOM 1054 O GLU A 100 79.480 1.223 1.012 1.00 0.00 O ATOM 1055 CB GLU A 100 79.321 -1.684 -0.264 1.00 0.00 C ATOM 1056 CG GLU A 100 78.979 -3.171 -0.161 1.00 0.00 C ATOM 1057 CD GLU A 100 78.705 -3.730 -1.559 1.00 0.00 C ATOM 1058 OE1 GLU A 100 79.646 -4.186 -2.187 1.00 0.00 O ATOM 1059 OE2 GLU A 100 77.560 -3.689 -1.979 1.00 0.00 O ATOM 0 H GLU A 100 77.876 -0.432 1.828 1.00 0.00 H new ATOM 0 HA GLU A 100 80.563 -1.748 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.457 -1.126 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 100 80.122 -1.534 -0.988 1.00 0.00 H new ATOM 0 HG2 GLU A 100 79.802 -3.713 0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 100 78.105 -3.311 0.476 1.00 0.00 H new ATOM 1066 N CYS A 101 81.556 0.448 0.891 1.00 0.00 N ATOM 1067 CA CYS A 101 82.168 1.814 0.833 1.00 0.00 C ATOM 1068 C CYS A 101 83.359 1.814 -0.134 1.00 0.00 C ATOM 1069 O CYS A 101 84.167 0.900 -0.121 1.00 0.00 O ATOM 1070 CB CYS A 101 82.616 2.143 2.277 1.00 0.00 C ATOM 1071 SG CYS A 101 83.776 0.898 2.924 1.00 0.00 S ATOM 0 H CYS A 101 82.227 -0.319 0.840 1.00 0.00 H new ATOM 0 HA CYS A 101 81.465 2.562 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 101 83.089 3.125 2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 101 81.742 2.197 2.926 1.00 0.00 H new ATOM 1076 N CYS A 102 83.469 2.827 -0.966 1.00 0.00 N ATOM 1077 CA CYS A 102 84.499 2.811 -2.058 1.00 0.00 C ATOM 1078 C CYS A 102 84.830 4.235 -2.523 1.00 0.00 C ATOM 1079 O CYS A 102 83.946 5.012 -2.833 1.00 0.00 O ATOM 1080 CB CYS A 102 83.910 1.967 -3.208 1.00 0.00 C ATOM 1081 SG CYS A 102 82.297 2.604 -3.756 1.00 0.00 S ATOM 0 H CYS A 102 82.889 3.665 -0.935 1.00 0.00 H new ATOM 0 HA CYS A 102 85.436 2.380 -1.705 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.604 1.963 -4.049 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.800 0.933 -2.881 1.00 0.00 H new ATOM 1086 N ARG A 103 86.105 4.567 -2.565 1.00 0.00 N ATOM 1087 CA ARG A 103 86.534 5.942 -2.975 1.00 0.00 C ATOM 1088 C ARG A 103 87.080 5.929 -4.412 1.00 0.00 C ATOM 1089 O ARG A 103 88.144 6.457 -4.691 1.00 0.00 O ATOM 1090 CB ARG A 103 87.628 6.323 -1.972 1.00 0.00 C ATOM 1091 CG ARG A 103 87.907 7.824 -2.065 1.00 0.00 C ATOM 1092 CD ARG A 103 88.965 8.214 -1.027 1.00 0.00 C ATOM 1093 NE ARG A 103 89.091 9.709 -1.117 1.00 0.00 N ATOM 1094 CZ ARG A 103 89.557 10.440 -0.117 1.00 0.00 C ATOM 1095 NH1 ARG A 103 89.959 9.917 1.019 1.00 0.00 N ATOM 1096 NH2 ARG A 103 89.626 11.735 -0.268 1.00 0.00 N ATOM 0 H ARG A 103 86.870 3.935 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 103 85.710 6.656 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.315 6.063 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.538 5.760 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 103 88.254 8.079 -3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 103 86.989 8.386 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 103 88.663 7.906 -0.026 1.00 0.00 H new ATOM 0 HD3 ARG A 103 89.918 7.727 -1.237 1.00 0.00 H new ATOM 0 HE ARG A 103 88.808 10.176 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 103 89.919 8.907 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 103 90.311 10.521 1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 103 89.324 12.163 -1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 103 89.982 12.318 0.489 1.00 0.00 H new ATOM 1110 N THR A 104 86.347 5.325 -5.317 1.00 0.00 N ATOM 1111 CA THR A 104 86.734 5.343 -6.762 1.00 0.00 C ATOM 1112 C THR A 104 85.503 5.632 -7.623 1.00 0.00 C ATOM 1113 O THR A 104 84.392 5.292 -7.262 1.00 0.00 O ATOM 1114 CB THR A 104 87.296 3.948 -7.047 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.391 2.964 -6.571 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.644 3.786 -6.341 1.00 0.00 C ATOM 0 H THR A 104 85.488 4.815 -5.113 1.00 0.00 H new ATOM 0 HA THR A 104 87.467 6.116 -6.990 1.00 0.00 H new ATOM 0 HB THR A 104 87.432 3.825 -8.122 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.751 2.072 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 104 89.044 2.793 -6.544 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.340 4.540 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.509 3.910 -5.267 1.00 0.00 H new ATOM 1124 N ASN A 105 85.701 6.252 -8.760 1.00 0.00 N ATOM 1125 CA ASN A 105 84.558 6.912 -9.481 1.00 0.00 C ATOM 1126 C ASN A 105 83.495 5.892 -9.910 1.00 0.00 C ATOM 1127 O ASN A 105 83.801 4.857 -10.474 1.00 0.00 O ATOM 1128 CB ASN A 105 85.163 7.628 -10.704 1.00 0.00 C ATOM 1129 CG ASN A 105 85.904 6.634 -11.611 1.00 0.00 C ATOM 1130 OD1 ASN A 105 85.285 5.848 -12.301 1.00 0.00 O ATOM 1131 ND2 ASN A 105 87.208 6.640 -11.637 1.00 0.00 N ATOM 0 H ASN A 105 86.606 6.332 -9.224 1.00 0.00 H new ATOM 0 HA ASN A 105 84.050 7.618 -8.825 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.372 8.122 -11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.851 8.405 -10.372 1.00 0.00 H new ATOM 0 HD21 ASN A 105 87.709 5.985 -12.237 1.00 0.00 H new ATOM 0 HD22 ASN A 105 87.727 7.300 -11.058 1.00 0.00 H new ATOM 1138 N LEU A 106 82.241 6.194 -9.634 1.00 0.00 N ATOM 1139 CA LEU A 106 81.093 5.287 -9.996 1.00 0.00 C ATOM 1140 C LEU A 106 81.317 3.851 -9.498 1.00 0.00 C ATOM 1141 O LEU A 106 80.815 2.908 -10.086 1.00 0.00 O ATOM 1142 CB LEU A 106 80.994 5.315 -11.529 1.00 0.00 C ATOM 1143 CG LEU A 106 80.695 6.738 -12.018 1.00 0.00 C ATOM 1144 CD1 LEU A 106 80.815 6.789 -13.542 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.275 7.142 -11.609 1.00 0.00 C ATOM 0 H LEU A 106 81.959 7.053 -9.161 1.00 0.00 H new ATOM 0 HA LEU A 106 80.173 5.630 -9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 106 81.927 4.961 -11.967 1.00 0.00 H new ATOM 0 HB3 LEU A 106 80.209 4.636 -11.862 1.00 0.00 H new ATOM 0 HG LEU A 106 81.410 7.428 -11.569 1.00 0.00 H new ATOM 0 HD11 LEU A 106 80.603 7.800 -13.890 1.00 0.00 H new ATOM 0 HD12 LEU A 106 81.826 6.509 -13.837 1.00 0.00 H new ATOM 0 HD13 LEU A 106 80.102 6.095 -13.987 1.00 0.00 H new ATOM 0 HD21 LEU A 106 79.069 8.153 -11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 106 78.558 6.451 -12.053 1.00 0.00 H new ATOM 0 HD23 LEU A 106 79.186 7.109 -10.523 1.00 0.00 H new ATOM 1157 N CYS A 107 82.065 3.685 -8.426 1.00 0.00 N ATOM 1158 CA CYS A 107 82.217 2.321 -7.804 1.00 0.00 C ATOM 1159 C CYS A 107 80.871 1.779 -7.292 1.00 0.00 C ATOM 1160 O CYS A 107 80.704 0.579 -7.151 1.00 0.00 O ATOM 1161 CB CYS A 107 83.230 2.467 -6.650 1.00 0.00 C ATOM 1162 SG CYS A 107 82.683 3.684 -5.416 1.00 0.00 S ATOM 0 H CYS A 107 82.576 4.432 -7.956 1.00 0.00 H new ATOM 0 HA CYS A 107 82.570 1.603 -8.544 1.00 0.00 H new ATOM 0 HB2 CYS A 107 83.372 1.500 -6.168 1.00 0.00 H new ATOM 0 HB3 CYS A 107 84.197 2.768 -7.052 1.00 0.00 H new ATOM 1167 N ASN A 108 79.922 2.649 -7.017 1.00 0.00 N ATOM 1168 CA ASN A 108 78.565 2.187 -6.566 1.00 0.00 C ATOM 1169 C ASN A 108 77.734 1.675 -7.749 1.00 0.00 C ATOM 1170 O ASN A 108 76.894 0.807 -7.582 1.00 0.00 O ATOM 1171 CB ASN A 108 77.892 3.419 -5.945 1.00 0.00 C ATOM 1172 CG ASN A 108 78.271 3.530 -4.467 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.375 3.199 -4.081 1.00 0.00 O ATOM 1174 ND2 ASN A 108 77.397 3.992 -3.617 1.00 0.00 N ATOM 0 H ASN A 108 80.030 3.661 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 108 78.647 1.363 -5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.200 4.319 -6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 108 76.809 3.343 -6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 108 77.640 4.075 -2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 108 76.470 4.270 -3.939 1.00 0.00 H new ATOM 1181 N GLN A 109 77.965 2.195 -8.937 1.00 0.00 N ATOM 1182 CA GLN A 109 77.026 1.937 -10.086 1.00 0.00 C ATOM 1183 C GLN A 109 76.970 0.441 -10.421 1.00 0.00 C ATOM 1184 O GLN A 109 75.915 -0.095 -10.707 1.00 0.00 O ATOM 1185 CB GLN A 109 77.589 2.723 -11.276 1.00 0.00 C ATOM 1186 CG GLN A 109 76.561 2.748 -12.408 1.00 0.00 C ATOM 1187 CD GLN A 109 77.179 3.402 -13.645 1.00 0.00 C ATOM 1188 OE1 GLN A 109 78.197 2.959 -14.137 1.00 0.00 O ATOM 1189 NE2 GLN A 109 76.602 4.448 -14.172 1.00 0.00 N ATOM 0 H GLN A 109 78.764 2.788 -9.161 1.00 0.00 H new ATOM 0 HA GLN A 109 76.011 2.247 -9.839 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.833 3.740 -10.970 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.515 2.264 -11.622 1.00 0.00 H new ATOM 0 HG2 GLN A 109 76.238 1.734 -12.643 1.00 0.00 H new ATOM 0 HG3 GLN A 109 75.675 3.300 -12.096 1.00 0.00 H new ATOM 0 HE21 GLN A 109 75.747 4.821 -13.759 1.00 0.00 H new ATOM 0 HE22 GLN A 109 77.006 4.892 -14.996 1.00 0.00 H new ATOM 1198 N TYR A 110 78.104 -0.224 -10.384 1.00 0.00 N ATOM 1199 CA TYR A 110 78.143 -1.695 -10.662 1.00 0.00 C ATOM 1200 C TYR A 110 78.205 -2.516 -9.363 1.00 0.00 C ATOM 1201 O TYR A 110 78.536 -3.689 -9.397 1.00 0.00 O ATOM 1202 CB TYR A 110 79.421 -1.902 -11.478 1.00 0.00 C ATOM 1203 CG TYR A 110 79.393 -1.216 -12.824 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.462 -1.638 -13.822 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.299 -0.146 -13.099 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.436 -0.990 -15.095 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.273 0.502 -14.373 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.342 0.080 -15.371 1.00 0.00 C ATOM 1209 OH TYR A 110 79.316 0.706 -16.600 1.00 0.00 O ATOM 0 H TYR A 110 79.009 0.195 -10.171 1.00 0.00 H new ATOM 0 HA TYR A 110 77.247 -2.026 -11.187 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.272 -1.530 -10.907 1.00 0.00 H new ATOM 0 HB3 TYR A 110 79.579 -2.970 -11.626 1.00 0.00 H new ATOM 0 HD1 TYR A 110 77.778 -2.447 -13.614 1.00 0.00 H new ATOM 0 HD2 TYR A 110 81.003 0.173 -12.345 1.00 0.00 H new ATOM 0 HE1 TYR A 110 77.731 -1.309 -15.849 1.00 0.00 H new ATOM 0 HE2 TYR A 110 80.958 1.311 -14.581 1.00 0.00 H new ATOM 0 HH TYR A 110 79.995 1.412 -16.622 1.00 0.00 H new ATOM 1219 N LEU A 111 77.892 -1.920 -8.227 1.00 0.00 N ATOM 1220 CA LEU A 111 78.026 -2.635 -6.921 1.00 0.00 C ATOM 1221 C LEU A 111 76.651 -2.807 -6.267 1.00 0.00 C ATOM 1222 O LEU A 111 76.061 -1.848 -5.801 1.00 0.00 O ATOM 1223 CB LEU A 111 78.916 -1.730 -6.067 1.00 0.00 C ATOM 1224 CG LEU A 111 79.312 -2.458 -4.781 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.499 -3.382 -5.061 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.703 -1.433 -3.714 1.00 0.00 C ATOM 0 H LEU A 111 77.548 -0.962 -8.156 1.00 0.00 H new ATOM 0 HA LEU A 111 78.448 -3.633 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.808 -1.449 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.388 -0.808 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 111 78.469 -3.049 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.781 -3.900 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 111 80.220 -4.113 -5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.343 -2.792 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 111 79.985 -1.951 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.546 -0.841 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 111 78.857 -0.776 -3.513 1.00 0.00 H new ATOM 1238 N GLN A 112 76.148 -4.020 -6.235 1.00 0.00 N ATOM 1239 CA GLN A 112 74.872 -4.304 -5.506 1.00 0.00 C ATOM 1240 C GLN A 112 75.177 -4.882 -4.109 1.00 0.00 C ATOM 1241 O GLN A 112 75.818 -5.913 -4.025 1.00 0.00 O ATOM 1242 CB GLN A 112 74.156 -5.352 -6.363 1.00 0.00 C ATOM 1243 CG GLN A 112 72.692 -5.450 -5.933 1.00 0.00 C ATOM 1244 CD GLN A 112 71.866 -6.062 -7.065 1.00 0.00 C ATOM 1245 OE1 GLN A 112 72.254 -7.053 -7.651 1.00 0.00 O ATOM 1246 NE2 GLN A 112 70.734 -5.508 -7.403 1.00 0.00 N ATOM 0 H GLN A 112 76.571 -4.831 -6.687 1.00 0.00 H new ATOM 0 HA GLN A 112 74.271 -3.407 -5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 112 74.219 -5.080 -7.417 1.00 0.00 H new ATOM 0 HB3 GLN A 112 74.644 -6.321 -6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 112 72.606 -6.061 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.309 -4.461 -5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 112 70.407 -4.676 -6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 112 70.176 -5.907 -8.158 1.00 0.00 H new ATOM 1255 N PRO A 113 74.721 -4.219 -3.050 1.00 0.00 N ATOM 1256 CA PRO A 113 74.847 -4.809 -1.688 1.00 0.00 C ATOM 1257 C PRO A 113 73.841 -5.952 -1.510 1.00 0.00 C ATOM 1258 O PRO A 113 72.680 -5.818 -1.857 1.00 0.00 O ATOM 1259 CB PRO A 113 74.522 -3.645 -0.752 1.00 0.00 C ATOM 1260 CG PRO A 113 73.673 -2.723 -1.560 1.00 0.00 C ATOM 1261 CD PRO A 113 74.073 -2.892 -3.001 1.00 0.00 C ATOM 0 HA PRO A 113 75.832 -5.235 -1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 113 73.994 -3.990 0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 113 75.430 -3.148 -0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 113 72.617 -2.956 -1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 113 73.815 -1.691 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 113 73.207 -2.848 -3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.756 -2.104 -3.319 1.00 0.00 H new ATOM 1269 N THR A 114 74.285 -7.066 -0.972 1.00 0.00 N ATOM 1270 CA THR A 114 73.372 -8.230 -0.749 1.00 0.00 C ATOM 1271 C THR A 114 73.667 -8.882 0.604 1.00 0.00 C ATOM 1272 O THR A 114 74.792 -8.864 1.073 1.00 0.00 O ATOM 1273 CB THR A 114 73.675 -9.202 -1.892 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.072 -9.451 -1.941 1.00 0.00 O ATOM 1275 CG2 THR A 114 73.217 -8.593 -3.219 1.00 0.00 C ATOM 0 H THR A 114 75.249 -7.217 -0.676 1.00 0.00 H new ATOM 0 HA THR A 114 72.323 -7.934 -0.737 1.00 0.00 H new ATOM 0 HB THR A 114 73.144 -10.139 -1.723 1.00 0.00 H new ATOM 0 HG1 THR A 114 75.268 -10.075 -2.671 1.00 0.00 H new ATOM 0 HG21 THR A 114 73.434 -9.286 -4.032 1.00 0.00 H new ATOM 0 HG22 THR A 114 72.144 -8.402 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 114 73.746 -7.656 -3.391 1.00 0.00 H new ATOM 1283 N LEU A 115 72.660 -9.455 1.229 1.00 0.00 N ATOM 1284 CA LEU A 115 72.869 -10.160 2.538 1.00 0.00 C ATOM 1285 C LEU A 115 73.625 -11.482 2.309 1.00 0.00 C ATOM 1286 O LEU A 115 73.556 -12.026 1.222 1.00 0.00 O ATOM 1287 CB LEU A 115 71.467 -10.437 3.094 1.00 0.00 C ATOM 1288 CG LEU A 115 70.944 -9.188 3.808 1.00 0.00 C ATOM 1289 CD1 LEU A 115 69.424 -9.277 3.943 1.00 0.00 C ATOM 1290 CD2 LEU A 115 71.575 -9.095 5.198 1.00 0.00 C ATOM 0 H LEU A 115 71.699 -9.464 0.886 1.00 0.00 H new ATOM 0 HA LEU A 115 73.461 -9.561 3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 115 70.792 -10.716 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.499 -11.278 3.787 1.00 0.00 H new ATOM 0 HG LEU A 115 71.206 -8.302 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 115 69.051 -8.388 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 115 68.974 -9.344 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 115 69.161 -10.163 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.203 -8.206 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.313 -9.981 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 115 72.659 -9.032 5.102 1.00 0.00 H new ATOM 1302 N PRO A 116 74.325 -11.968 3.330 1.00 0.00 N ATOM 1303 CA PRO A 116 75.066 -13.258 3.196 1.00 0.00 C ATOM 1304 C PRO A 116 74.087 -14.427 2.948 1.00 0.00 C ATOM 1305 O PRO A 116 72.979 -14.388 3.450 1.00 0.00 O ATOM 1306 CB PRO A 116 75.791 -13.423 4.538 1.00 0.00 C ATOM 1307 CG PRO A 116 75.729 -12.085 5.199 1.00 0.00 C ATOM 1308 CD PRO A 116 74.505 -11.391 4.675 1.00 0.00 C ATOM 0 HA PRO A 116 75.756 -13.257 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 116 75.310 -14.185 5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 116 76.824 -13.738 4.389 1.00 0.00 H new ATOM 0 HG2 PRO A 116 75.677 -12.192 6.282 1.00 0.00 H new ATOM 0 HG3 PRO A 116 76.625 -11.505 4.979 1.00 0.00 H new ATOM 0 HD2 PRO A 116 73.638 -11.575 5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 116 74.645 -10.311 4.632 1.00 0.00 H new ATOM 1316 N PRO A 117 74.516 -15.429 2.190 1.00 0.00 N ATOM 1317 CA PRO A 117 73.612 -16.569 1.868 1.00 0.00 C ATOM 1318 C PRO A 117 73.333 -17.400 3.127 1.00 0.00 C ATOM 1319 O PRO A 117 74.240 -17.718 3.875 1.00 0.00 O ATOM 1320 CB PRO A 117 74.393 -17.385 0.836 1.00 0.00 C ATOM 1321 CG PRO A 117 75.824 -17.019 1.050 1.00 0.00 C ATOM 1322 CD PRO A 117 75.845 -15.608 1.570 1.00 0.00 C ATOM 0 HA PRO A 117 72.641 -16.247 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 117 74.235 -18.454 0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 117 74.073 -17.147 -0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 117 76.294 -17.699 1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 117 76.385 -17.095 0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 117 76.645 -15.463 2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 117 76.009 -14.890 0.766 1.00 0.00 H new ATOM 1330 N VAL A 118 72.084 -17.745 3.353 1.00 0.00 N ATOM 1331 CA VAL A 118 71.723 -18.590 4.542 1.00 0.00 C ATOM 1332 C VAL A 118 72.020 -20.061 4.221 1.00 0.00 C ATOM 1333 O VAL A 118 72.224 -20.416 3.072 1.00 0.00 O ATOM 1334 CB VAL A 118 70.214 -18.378 4.786 1.00 0.00 C ATOM 1335 CG1 VAL A 118 69.776 -19.128 6.050 1.00 0.00 C ATOM 1336 CG2 VAL A 118 69.902 -16.889 4.977 1.00 0.00 C ATOM 0 H VAL A 118 71.296 -17.477 2.763 1.00 0.00 H new ATOM 0 HA VAL A 118 72.296 -18.318 5.429 1.00 0.00 H new ATOM 0 HB VAL A 118 69.677 -18.757 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 118 68.710 -18.973 6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 118 69.973 -20.193 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 118 70.334 -18.752 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 118 68.833 -16.760 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 118 70.455 -16.509 5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 118 70.196 -16.338 4.083 1.00 0.00 H new ATOM 1346 N VAL A 119 72.041 -20.907 5.226 1.00 0.00 N ATOM 1347 CA VAL A 119 72.336 -22.362 5.000 1.00 0.00 C ATOM 1348 C VAL A 119 71.043 -23.126 4.688 1.00 0.00 C ATOM 1349 O VAL A 119 69.991 -22.812 5.215 1.00 0.00 O ATOM 1350 CB VAL A 119 72.996 -22.887 6.293 1.00 0.00 C ATOM 1351 CG1 VAL A 119 74.314 -22.148 6.534 1.00 0.00 C ATOM 1352 CG2 VAL A 119 72.079 -22.689 7.511 1.00 0.00 C ATOM 0 H VAL A 119 71.866 -20.652 6.198 1.00 0.00 H new ATOM 0 HA VAL A 119 73.001 -22.504 4.148 1.00 0.00 H new ATOM 0 HB VAL A 119 73.178 -23.954 6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 119 74.778 -22.520 7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 119 74.985 -22.316 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 119 74.119 -21.080 6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 119 72.574 -23.069 8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 119 71.867 -21.627 7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 119 71.145 -23.230 7.355 1.00 0.00 H new ATOM 1362 N ILE A 120 71.124 -24.121 3.832 1.00 0.00 N ATOM 1363 CA ILE A 120 69.912 -24.933 3.477 1.00 0.00 C ATOM 1364 C ILE A 120 69.792 -26.150 4.411 1.00 0.00 C ATOM 1365 O ILE A 120 69.649 -27.278 3.964 1.00 0.00 O ATOM 1366 CB ILE A 120 70.091 -25.363 2.002 1.00 0.00 C ATOM 1367 CG1 ILE A 120 71.374 -26.186 1.813 1.00 0.00 C ATOM 1368 CG2 ILE A 120 70.152 -24.122 1.106 1.00 0.00 C ATOM 1369 CD1 ILE A 120 71.289 -26.972 0.505 1.00 0.00 C ATOM 0 H ILE A 120 71.983 -24.407 3.362 1.00 0.00 H new ATOM 0 HA ILE A 120 68.993 -24.359 3.597 1.00 0.00 H new ATOM 0 HB ILE A 120 69.238 -25.983 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 120 72.242 -25.527 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 120 71.507 -26.869 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 120 70.278 -24.429 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 120 69.227 -23.555 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 120 70.995 -23.498 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 120 72.200 -27.556 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 120 70.430 -27.642 0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 120 71.177 -26.279 -0.329 1.00 0.00 H new ATOM 1381 N GLY A 121 69.845 -25.918 5.704 1.00 0.00 N ATOM 1382 CA GLY A 121 69.768 -27.038 6.693 1.00 0.00 C ATOM 1383 C GLY A 121 71.048 -27.887 6.609 1.00 0.00 C ATOM 1384 O GLY A 121 71.779 -27.776 5.643 1.00 0.00 O ATOM 0 H GLY A 121 69.939 -24.990 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 121 69.649 -26.640 7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 121 68.894 -27.657 6.490 1.00 0.00 H new ATOM 1388 N PRO A 122 71.294 -28.717 7.617 1.00 0.00 N ATOM 1389 CA PRO A 122 72.512 -29.597 7.618 1.00 0.00 C ATOM 1390 C PRO A 122 72.534 -30.521 6.392 1.00 0.00 C ATOM 1391 O PRO A 122 71.541 -31.147 6.066 1.00 0.00 O ATOM 1392 CB PRO A 122 72.349 -30.411 8.903 1.00 0.00 C ATOM 1393 CG PRO A 122 71.513 -29.539 9.774 1.00 0.00 C ATOM 1394 CD PRO A 122 70.505 -28.926 8.851 1.00 0.00 C ATOM 0 HA PRO A 122 73.443 -29.032 7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 122 71.863 -31.368 8.711 1.00 0.00 H new ATOM 0 HB3 PRO A 122 73.313 -30.629 9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 122 71.028 -30.116 10.562 1.00 0.00 H new ATOM 0 HG3 PRO A 122 72.116 -28.775 10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 122 69.654 -29.586 8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 122 70.110 -27.990 9.245 1.00 0.00 H new ATOM 1402 N PHE A 123 73.664 -30.603 5.722 1.00 0.00 N ATOM 1403 CA PHE A 123 73.776 -31.477 4.509 1.00 0.00 C ATOM 1404 C PHE A 123 74.090 -32.923 4.920 1.00 0.00 C ATOM 1405 O PHE A 123 74.906 -33.159 5.792 1.00 0.00 O ATOM 1406 CB PHE A 123 74.908 -30.881 3.652 1.00 0.00 C ATOM 1407 CG PHE A 123 76.292 -30.946 4.271 1.00 0.00 C ATOM 1408 CD1 PHE A 123 77.120 -32.086 4.036 1.00 0.00 C ATOM 1409 CD2 PHE A 123 76.770 -29.874 5.088 1.00 0.00 C ATOM 1410 CE1 PHE A 123 78.425 -32.155 4.616 1.00 0.00 C ATOM 1411 CE2 PHE A 123 78.074 -29.943 5.668 1.00 0.00 C ATOM 1412 CZ PHE A 123 78.902 -31.083 5.432 1.00 0.00 C ATOM 0 H PHE A 123 74.516 -30.099 5.966 1.00 0.00 H new ATOM 0 HA PHE A 123 72.842 -31.508 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 123 74.931 -31.403 2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 123 74.671 -29.838 3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 123 76.760 -32.897 3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 123 76.145 -29.012 5.267 1.00 0.00 H new ATOM 0 HE1 PHE A 123 79.050 -33.017 4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 123 78.434 -29.133 6.285 1.00 0.00 H new ATOM 0 HZ PHE A 123 79.888 -31.135 5.870 1.00 0.00 H new ATOM 1422 N PHE A 124 73.443 -33.879 4.289 1.00 0.00 N ATOM 1423 CA PHE A 124 73.711 -35.319 4.593 1.00 0.00 C ATOM 1424 C PHE A 124 73.329 -36.188 3.391 1.00 0.00 C ATOM 1425 O PHE A 124 72.437 -35.847 2.634 1.00 0.00 O ATOM 1426 CB PHE A 124 72.839 -35.650 5.805 1.00 0.00 C ATOM 1427 CG PHE A 124 73.446 -35.221 7.120 1.00 0.00 C ATOM 1428 CD1 PHE A 124 74.497 -35.991 7.706 1.00 0.00 C ATOM 1429 CD2 PHE A 124 72.970 -34.045 7.779 1.00 0.00 C ATOM 1430 CE1 PHE A 124 75.073 -35.586 8.950 1.00 0.00 C ATOM 1431 CE2 PHE A 124 73.545 -33.640 9.023 1.00 0.00 C ATOM 1432 CZ PHE A 124 74.596 -34.410 9.609 1.00 0.00 C ATOM 0 H PHE A 124 72.736 -33.718 3.572 1.00 0.00 H new ATOM 0 HA PHE A 124 74.765 -35.508 4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 124 71.869 -35.167 5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 124 72.659 -36.725 5.830 1.00 0.00 H new ATOM 0 HD1 PHE A 124 74.857 -36.880 7.209 1.00 0.00 H new ATOM 0 HD2 PHE A 124 72.176 -33.462 7.336 1.00 0.00 H new ATOM 0 HE1 PHE A 124 75.868 -36.168 9.392 1.00 0.00 H new ATOM 0 HE2 PHE A 124 73.185 -32.752 9.520 1.00 0.00 H new ATOM 0 HZ PHE A 124 75.030 -34.104 10.549 1.00 0.00 H new ATOM 1442 N ASP A 125 74.004 -37.305 3.219 1.00 0.00 N ATOM 1443 CA ASP A 125 73.696 -38.220 2.072 1.00 0.00 C ATOM 1444 C ASP A 125 72.483 -39.080 2.441 1.00 0.00 C ATOM 1445 O ASP A 125 72.196 -39.282 3.607 1.00 0.00 O ATOM 1446 CB ASP A 125 74.972 -39.034 1.837 1.00 0.00 C ATOM 1447 CG ASP A 125 76.084 -38.111 1.338 1.00 0.00 C ATOM 1448 OD1 ASP A 125 76.805 -37.581 2.166 1.00 0.00 O ATOM 1449 OD2 ASP A 125 76.195 -37.949 0.133 1.00 0.00 O ATOM 0 H ASP A 125 74.758 -37.622 3.828 1.00 0.00 H new ATOM 0 HA ASP A 125 73.430 -37.699 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 125 75.279 -39.523 2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 125 74.784 -39.821 1.107 1.00 0.00 H new ATOM 1454 N GLY A 126 71.776 -39.579 1.451 1.00 0.00 N ATOM 1455 CA GLY A 126 70.577 -40.432 1.713 1.00 0.00 C ATOM 1456 C GLY A 126 69.442 -40.096 0.742 1.00 0.00 C ATOM 1457 O GLY A 126 68.320 -39.860 1.157 1.00 0.00 O ATOM 0 H GLY A 126 71.984 -39.428 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 126 70.846 -41.484 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 126 70.239 -40.285 2.739 1.00 0.00 H new ATOM 1461 N SER A 127 69.733 -40.078 -0.540 1.00 0.00 N ATOM 1462 CA SER A 127 68.680 -39.766 -1.561 1.00 0.00 C ATOM 1463 C SER A 127 67.825 -41.007 -1.837 1.00 0.00 C ATOM 1464 O SER A 127 68.229 -42.119 -1.543 1.00 0.00 O ATOM 1465 CB SER A 127 69.436 -39.348 -2.825 1.00 0.00 C ATOM 1466 OG SER A 127 70.133 -40.469 -3.350 1.00 0.00 O ATOM 0 H SER A 127 70.659 -40.267 -0.924 1.00 0.00 H new ATOM 0 HA SER A 127 68.007 -38.980 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 127 68.739 -38.959 -3.567 1.00 0.00 H new ATOM 0 HB3 SER A 127 70.137 -38.545 -2.594 1.00 0.00 H new ATOM 0 HG SER A 127 70.616 -40.204 -4.160 1.00 0.00 H new ATOM 1472 N ILE A 128 66.651 -40.815 -2.398 1.00 0.00 N ATOM 1473 CA ILE A 128 65.747 -41.972 -2.705 1.00 0.00 C ATOM 1474 C ILE A 128 66.040 -42.489 -4.120 1.00 0.00 C ATOM 1475 O ILE A 128 66.228 -41.711 -5.040 1.00 0.00 O ATOM 1476 CB ILE A 128 64.306 -41.418 -2.604 1.00 0.00 C ATOM 1477 CG1 ILE A 128 64.043 -40.796 -1.211 1.00 0.00 C ATOM 1478 CG2 ILE A 128 63.285 -42.538 -2.864 1.00 0.00 C ATOM 1479 CD1 ILE A 128 64.251 -41.822 -0.084 1.00 0.00 C ATOM 0 H ILE A 128 66.279 -39.901 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 128 65.892 -42.806 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 128 64.195 -40.640 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 128 64.710 -39.948 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 128 63.024 -40.411 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 128 62.275 -42.134 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 128 63.440 -42.947 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 128 63.415 -43.328 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 128 64.057 -41.349 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 128 63.565 -42.658 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 128 65.278 -42.187 -0.109 1.00 0.00 H new ATOM 1491 N ARG A 129 66.078 -43.792 -4.287 1.00 0.00 N ATOM 1492 CA ARG A 129 66.355 -44.386 -5.635 1.00 0.00 C ATOM 1493 C ARG A 129 65.047 -44.589 -6.402 1.00 0.00 C ATOM 1494 O ARG A 129 64.224 -45.360 -5.936 1.00 0.00 O ATOM 1495 CB ARG A 129 67.027 -45.734 -5.355 1.00 0.00 C ATOM 1496 CG ARG A 129 67.576 -46.314 -6.660 1.00 0.00 C ATOM 1497 CD ARG A 129 68.184 -47.694 -6.392 1.00 0.00 C ATOM 1498 NE ARG A 129 68.796 -48.130 -7.692 1.00 0.00 N ATOM 1499 CZ ARG A 129 69.020 -49.403 -7.977 1.00 0.00 C ATOM 1500 NH1 ARG A 129 68.744 -50.378 -7.138 1.00 0.00 N ATOM 1501 NH2 ARG A 129 69.545 -49.702 -9.134 1.00 0.00 N ATOM 1502 OXT ARG A 129 64.889 -43.971 -7.441 1.00 0.00 O ATOM 0 H ARG A 129 65.928 -44.473 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 129 66.986 -43.739 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 129 67.834 -45.607 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 129 66.309 -46.424 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 129 66.778 -46.394 -7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 129 68.331 -45.647 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 129 68.935 -47.644 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 129 67.422 -48.400 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 129 69.048 -47.420 -8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 129 68.340 -50.167 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 129 68.933 -51.345 -7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 129 69.774 -48.961 -9.797 1.00 0.00 H new ATOM 0 HH22 ARG A 129 69.726 -50.676 -9.375 1.00 0.00 H new TER 1516 ARG A 129