USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 363 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 29 SER OG : rot 20:sc= -1.67! USER MOD Set 1.2: A 33 ASN : amide:sc= -2.06! C(o=-3.7!,f=-10!) USER MOD Set 2.1: A 11 THR OG1 : rot 71:sc= 0.306 USER MOD Set 2.2: A 16 TYR OH : rot 180:sc= 1.13 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 81:sc= -0.186 USER MOD Single : A 6 ASN : amide:sc= 0.966 K(o=0.97,f=-7.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -119:sc= 1.29 USER MOD Single : A 22 THR OG1 : rot 129:sc= 0.834 USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= 2.36 (180deg=0.26) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0898 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -10.380 -3.561 9.815 1.00 0.00 N ATOM 2 CA ASP A 1 -9.649 -4.632 10.480 1.00 0.00 C ATOM 3 C ASP A 1 -8.160 -4.388 10.403 1.00 0.00 C ATOM 4 O ASP A 1 -7.593 -4.354 9.313 1.00 0.00 O ATOM 5 CB ASP A 1 -9.989 -5.989 9.870 1.00 0.00 C ATOM 6 CG ASP A 1 -9.295 -7.115 10.587 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.520 -7.283 11.796 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.518 -7.861 9.957 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.401 -3.746 9.878 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.163 -2.654 10.276 1.00 0.00 H new ATOM 0 H3 ASP A 1 -10.098 -3.517 8.815 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.951 -4.640 11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -11.067 -6.144 9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.702 -5.997 8.818 1.00 0.00 H new ATOM 15 N ARG A 2 -7.554 -4.180 11.566 1.00 0.00 N ATOM 16 CA ARG A 2 -6.109 -3.990 11.740 1.00 0.00 C ATOM 17 C ARG A 2 -5.521 -2.860 10.888 1.00 0.00 C ATOM 18 O ARG A 2 -5.880 -1.689 11.058 1.00 0.00 O ATOM 19 CB ARG A 2 -5.322 -5.302 11.548 1.00 0.00 C ATOM 20 CG ARG A 2 -5.265 -6.176 12.784 1.00 0.00 C ATOM 21 CD ARG A 2 -6.611 -6.769 13.115 1.00 0.00 C ATOM 22 NE ARG A 2 -6.634 -7.394 14.432 1.00 0.00 N ATOM 23 CZ ARG A 2 -7.725 -7.914 14.994 1.00 0.00 C ATOM 24 NH1 ARG A 2 -8.871 -7.958 14.321 1.00 0.00 N ATOM 25 NH2 ARG A 2 -7.671 -8.414 16.225 1.00 0.00 N ATOM 0 H ARG A 2 -8.067 -4.137 12.446 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.992 -3.675 12.777 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.776 -5.870 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.305 -5.061 11.239 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.543 -6.978 12.629 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.910 -5.587 13.629 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.370 -5.987 13.073 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.875 -7.509 12.360 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.760 -7.436 14.956 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.918 -7.593 13.370 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.703 -8.357 14.756 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.792 -8.400 16.743 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.508 -8.811 16.651 1.00 0.00 H new ATOM 39 N ILE A 3 -4.640 -3.209 9.985 1.00 0.00 N ATOM 40 CA ILE A 3 -3.953 -2.245 9.172 1.00 0.00 C ATOM 41 C ILE A 3 -4.822 -1.842 7.978 1.00 0.00 C ATOM 42 O ILE A 3 -5.287 -2.684 7.205 1.00 0.00 O ATOM 43 CB ILE A 3 -2.554 -2.791 8.730 1.00 0.00 C ATOM 44 CG1 ILE A 3 -1.761 -1.757 7.930 1.00 0.00 C ATOM 45 CG2 ILE A 3 -2.666 -4.102 7.968 1.00 0.00 C ATOM 46 CD1 ILE A 3 -1.278 -0.577 8.750 1.00 0.00 C ATOM 0 H ILE A 3 -4.380 -4.177 9.794 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.772 -1.346 9.761 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.000 -2.992 9.647 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.900 -2.247 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.384 -1.389 7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.671 -4.443 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.138 -4.852 8.602 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.270 -3.952 7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.725 0.109 8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.134 -0.059 9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.627 -0.931 9.549 1.00 0.00 H new ATOM 58 N CYS A 4 -5.067 -0.574 7.853 1.00 0.00 N ATOM 59 CA CYS A 4 -5.901 -0.074 6.816 1.00 0.00 C ATOM 60 C CYS A 4 -5.092 0.465 5.656 1.00 0.00 C ATOM 61 O CYS A 4 -5.173 1.634 5.297 1.00 0.00 O ATOM 62 CB CYS A 4 -6.879 0.947 7.370 1.00 0.00 C ATOM 63 SG CYS A 4 -8.202 0.213 8.417 1.00 0.00 S ATOM 0 H CYS A 4 -4.690 0.143 8.473 1.00 0.00 H new ATOM 0 HA CYS A 4 -6.485 -0.902 6.415 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -6.329 1.682 7.958 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -7.340 1.483 6.540 1.00 0.00 H new ATOM 68 N THR A 5 -4.263 -0.381 5.127 1.00 0.00 N ATOM 69 CA THR A 5 -3.507 -0.094 3.951 1.00 0.00 C ATOM 70 C THR A 5 -4.301 -0.546 2.740 1.00 0.00 C ATOM 71 O THR A 5 -5.034 -1.512 2.826 1.00 0.00 O ATOM 72 CB THR A 5 -2.208 -0.888 4.007 1.00 0.00 C ATOM 73 OG1 THR A 5 -2.394 -2.009 4.903 1.00 0.00 O ATOM 74 CG2 THR A 5 -1.068 -0.016 4.512 1.00 0.00 C ATOM 0 H THR A 5 -4.091 -1.310 5.511 1.00 0.00 H new ATOM 0 HA THR A 5 -3.297 0.974 3.886 1.00 0.00 H new ATOM 0 HB THR A 5 -1.954 -1.238 3.006 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.851 -2.735 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.149 -0.601 4.545 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.934 0.832 3.841 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.303 0.347 5.513 1.00 0.00 H new ATOM 82 N ASN A 6 -4.179 0.134 1.640 1.00 0.00 N ATOM 83 CA ASN A 6 -4.823 -0.311 0.424 1.00 0.00 C ATOM 84 C ASN A 6 -3.822 -0.208 -0.698 1.00 0.00 C ATOM 85 O ASN A 6 -2.944 0.664 -0.670 1.00 0.00 O ATOM 86 CB ASN A 6 -6.123 0.484 0.094 1.00 0.00 C ATOM 87 CG ASN A 6 -5.902 1.905 -0.432 1.00 0.00 C ATOM 88 OD1 ASN A 6 -5.641 2.116 -1.623 1.00 0.00 O ATOM 89 ND2 ASN A 6 -6.067 2.881 0.424 1.00 0.00 N ATOM 0 H ASN A 6 -3.643 0.997 1.551 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.144 -1.344 0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -6.694 -0.076 -0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.735 0.538 0.994 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.981 3.850 0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.281 2.673 1.399 1.00 0.00 H new ATOM 96 N CYS A 7 -3.906 -1.100 -1.635 1.00 0.00 N ATOM 97 CA CYS A 7 -2.990 -1.113 -2.750 1.00 0.00 C ATOM 98 C CYS A 7 -3.657 -0.511 -3.982 1.00 0.00 C ATOM 99 O CYS A 7 -3.037 -0.370 -5.032 1.00 0.00 O ATOM 100 CB CYS A 7 -2.518 -2.542 -3.025 1.00 0.00 C ATOM 101 SG CYS A 7 -1.006 -2.669 -4.029 1.00 0.00 S ATOM 0 H CYS A 7 -4.607 -1.841 -1.656 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.118 -0.507 -2.504 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.347 -3.042 -2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.318 -3.083 -3.530 1.00 0.00 H new ATOM 106 N CYS A 8 -4.938 -0.176 -3.847 1.00 0.00 N ATOM 107 CA CYS A 8 -5.701 0.469 -4.911 1.00 0.00 C ATOM 108 C CYS A 8 -5.052 1.791 -5.253 1.00 0.00 C ATOM 109 O CYS A 8 -4.746 2.081 -6.420 1.00 0.00 O ATOM 110 CB CYS A 8 -7.138 0.714 -4.442 1.00 0.00 C ATOM 111 SG CYS A 8 -8.207 1.562 -5.658 1.00 0.00 S ATOM 0 H CYS A 8 -5.476 -0.344 -2.997 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.716 -0.175 -5.790 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.591 -0.244 -4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.111 1.307 -3.528 1.00 0.00 H new ATOM 116 N ALA A 9 -4.884 2.591 -4.239 1.00 0.00 N ATOM 117 CA ALA A 9 -4.198 3.835 -4.353 1.00 0.00 C ATOM 118 C ALA A 9 -2.728 3.603 -4.047 1.00 0.00 C ATOM 119 O ALA A 9 -1.915 3.360 -4.948 1.00 0.00 O ATOM 120 CB ALA A 9 -4.808 4.871 -3.413 1.00 0.00 C ATOM 0 H ALA A 9 -5.226 2.390 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.296 4.226 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.271 5.814 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.857 5.021 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.732 4.518 -2.384 1.00 0.00 H new ATOM 126 N GLY A 10 -2.408 3.599 -2.764 1.00 0.00 N ATOM 127 CA GLY A 10 -1.065 3.409 -2.322 1.00 0.00 C ATOM 128 C GLY A 10 -0.150 4.564 -2.690 1.00 0.00 C ATOM 129 O GLY A 10 -0.543 5.493 -3.378 1.00 0.00 O ATOM 0 H GLY A 10 -3.083 3.729 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.060 3.279 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.672 2.489 -2.756 1.00 0.00 H new ATOM 133 N THR A 11 1.046 4.528 -2.208 1.00 0.00 N ATOM 134 CA THR A 11 1.999 5.544 -2.536 1.00 0.00 C ATOM 135 C THR A 11 3.023 4.996 -3.523 1.00 0.00 C ATOM 136 O THR A 11 3.782 4.065 -3.190 1.00 0.00 O ATOM 137 CB THR A 11 2.701 6.041 -1.270 1.00 0.00 C ATOM 138 OG1 THR A 11 1.783 5.932 -0.165 1.00 0.00 O ATOM 139 CG2 THR A 11 3.118 7.496 -1.430 1.00 0.00 C ATOM 0 H THR A 11 1.393 3.802 -1.581 1.00 0.00 H new ATOM 0 HA THR A 11 1.476 6.382 -2.996 1.00 0.00 H new ATOM 0 HB THR A 11 3.592 5.439 -1.091 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.654 4.987 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.616 7.834 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.802 7.588 -2.274 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.235 8.110 -1.610 1.00 0.00 H new ATOM 147 N LYS A 12 2.978 5.511 -4.757 1.00 0.00 N ATOM 148 CA LYS A 12 3.939 5.163 -5.812 1.00 0.00 C ATOM 149 C LYS A 12 5.372 5.233 -5.272 1.00 0.00 C ATOM 150 O LYS A 12 5.778 6.241 -4.676 1.00 0.00 O ATOM 151 CB LYS A 12 3.760 6.115 -7.019 1.00 0.00 C ATOM 152 CG LYS A 12 4.525 5.736 -8.303 1.00 0.00 C ATOM 153 CD LYS A 12 5.970 6.250 -8.308 1.00 0.00 C ATOM 154 CE LYS A 12 6.038 7.770 -8.200 1.00 0.00 C ATOM 155 NZ LYS A 12 7.426 8.246 -8.044 1.00 0.00 N ATOM 0 H LYS A 12 2.271 6.184 -5.054 1.00 0.00 H new ATOM 0 HA LYS A 12 3.751 4.141 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.698 6.171 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.072 7.115 -6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.530 4.651 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.998 6.140 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.516 5.803 -7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.465 5.929 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.598 8.218 -9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.442 8.101 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.431 9.284 -7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.838 7.839 -7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.989 7.952 -8.868 1.00 0.00 H new ATOM 169 N GLY A 13 6.104 4.165 -5.459 1.00 0.00 N ATOM 170 CA GLY A 13 7.453 4.079 -4.973 1.00 0.00 C ATOM 171 C GLY A 13 7.569 3.030 -3.898 1.00 0.00 C ATOM 172 O GLY A 13 8.599 2.363 -3.766 1.00 0.00 O ATOM 0 H GLY A 13 5.780 3.333 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.126 3.839 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.764 5.046 -4.579 1.00 0.00 H new ATOM 176 N CYS A 14 6.511 2.866 -3.139 1.00 0.00 N ATOM 177 CA CYS A 14 6.494 1.896 -2.076 1.00 0.00 C ATOM 178 C CYS A 14 5.893 0.606 -2.577 1.00 0.00 C ATOM 179 O CYS A 14 4.815 0.608 -3.197 1.00 0.00 O ATOM 180 CB CYS A 14 5.699 2.407 -0.857 1.00 0.00 C ATOM 181 SG CYS A 14 6.610 3.515 0.294 1.00 0.00 S ATOM 0 H CYS A 14 5.646 3.397 -3.241 1.00 0.00 H new ATOM 0 HA CYS A 14 7.522 1.725 -1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.818 2.937 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.343 1.545 -0.294 1.00 0.00 H new ATOM 186 N LYS A 15 6.592 -0.477 -2.365 1.00 0.00 N ATOM 187 CA LYS A 15 6.092 -1.773 -2.729 1.00 0.00 C ATOM 188 C LYS A 15 5.299 -2.334 -1.573 1.00 0.00 C ATOM 189 O LYS A 15 5.861 -2.623 -0.519 1.00 0.00 O ATOM 190 CB LYS A 15 7.236 -2.716 -3.087 1.00 0.00 C ATOM 191 CG LYS A 15 8.045 -2.282 -4.296 1.00 0.00 C ATOM 192 CD LYS A 15 8.797 -3.454 -4.900 1.00 0.00 C ATOM 193 CE LYS A 15 9.910 -3.951 -3.994 1.00 0.00 C ATOM 194 NZ LYS A 15 10.475 -5.233 -4.474 1.00 0.00 N ATOM 0 H LYS A 15 7.518 -0.485 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 15 5.452 -1.675 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.903 -2.802 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.828 -3.709 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.382 -1.847 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.751 -1.504 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.100 -4.268 -5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.218 -3.157 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.700 -3.202 -3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.526 -4.079 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.232 -5.541 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.726 -5.955 -4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.864 -5.105 -5.430 1.00 0.00 H new ATOM 208 N TYR A 16 4.013 -2.457 -1.753 1.00 0.00 N ATOM 209 CA TYR A 16 3.147 -2.964 -0.721 1.00 0.00 C ATOM 210 C TYR A 16 3.335 -4.442 -0.601 1.00 0.00 C ATOM 211 O TYR A 16 3.051 -5.224 -1.528 1.00 0.00 O ATOM 212 CB TYR A 16 1.701 -2.547 -0.958 1.00 0.00 C ATOM 213 CG TYR A 16 1.527 -1.075 -0.695 1.00 0.00 C ATOM 214 CD1 TYR A 16 1.712 -0.141 -1.699 1.00 0.00 C ATOM 215 CD2 TYR A 16 1.230 -0.617 0.576 1.00 0.00 C ATOM 216 CE1 TYR A 16 1.612 1.204 -1.440 1.00 0.00 C ATOM 217 CE2 TYR A 16 1.115 0.722 0.842 1.00 0.00 C ATOM 218 CZ TYR A 16 1.310 1.629 -0.168 1.00 0.00 C ATOM 219 OH TYR A 16 1.227 2.973 0.099 1.00 0.00 O ATOM 0 H TYR A 16 3.534 -2.209 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 16 3.416 -2.524 0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.414 -2.775 -1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.040 -3.119 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.938 -0.475 -2.701 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.086 -1.329 1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.770 1.923 -2.230 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.873 1.060 1.839 1.00 0.00 H new ATOM 0 HH TYR A 16 1.004 3.106 1.044 1.00 0.00 H new ATOM 229 N PHE A 17 3.842 -4.808 0.521 1.00 0.00 N ATOM 230 CA PHE A 17 4.337 -6.104 0.757 1.00 0.00 C ATOM 231 C PHE A 17 3.994 -6.583 2.157 1.00 0.00 C ATOM 232 O PHE A 17 3.839 -5.779 3.102 1.00 0.00 O ATOM 233 CB PHE A 17 5.841 -6.021 0.426 1.00 0.00 C ATOM 234 CG PHE A 17 6.825 -6.856 1.167 1.00 0.00 C ATOM 235 CD1 PHE A 17 7.120 -8.153 0.802 1.00 0.00 C ATOM 236 CD2 PHE A 17 7.521 -6.282 2.198 1.00 0.00 C ATOM 237 CE1 PHE A 17 8.094 -8.861 1.484 1.00 0.00 C ATOM 238 CE2 PHE A 17 8.488 -6.958 2.868 1.00 0.00 C ATOM 239 CZ PHE A 17 8.782 -8.253 2.522 1.00 0.00 C ATOM 0 H PHE A 17 3.924 -4.186 1.325 1.00 0.00 H new ATOM 0 HA PHE A 17 3.876 -6.869 0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.951 -6.257 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.141 -4.981 0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.590 -8.617 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.294 -5.266 2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.317 -9.881 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.025 -6.478 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.547 -8.796 3.057 1.00 0.00 H new ATOM 249 N SER A 18 3.796 -7.870 2.243 1.00 0.00 N ATOM 250 CA SER A 18 3.432 -8.571 3.443 1.00 0.00 C ATOM 251 C SER A 18 4.693 -8.983 4.176 1.00 0.00 C ATOM 252 O SER A 18 5.665 -9.428 3.550 1.00 0.00 O ATOM 253 CB SER A 18 2.610 -9.814 3.065 1.00 0.00 C ATOM 254 OG SER A 18 2.193 -10.548 4.204 1.00 0.00 O ATOM 0 H SER A 18 3.889 -8.489 1.437 1.00 0.00 H new ATOM 0 HA SER A 18 2.835 -7.929 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.735 -9.508 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.205 -10.458 2.418 1.00 0.00 H new ATOM 0 HG SER A 18 2.575 -11.450 4.170 1.00 0.00 H new ATOM 260 N ASP A 19 4.652 -8.904 5.494 1.00 0.00 N ATOM 261 CA ASP A 19 5.820 -9.151 6.353 1.00 0.00 C ATOM 262 C ASP A 19 6.183 -10.621 6.423 1.00 0.00 C ATOM 263 O ASP A 19 7.224 -10.989 6.970 1.00 0.00 O ATOM 264 CB ASP A 19 5.600 -8.588 7.764 1.00 0.00 C ATOM 265 CG ASP A 19 4.816 -9.500 8.695 1.00 0.00 C ATOM 266 OD1 ASP A 19 3.839 -10.125 8.272 1.00 0.00 O ATOM 267 OD2 ASP A 19 5.150 -9.556 9.903 1.00 0.00 O ATOM 0 H ASP A 19 3.806 -8.666 6.012 1.00 0.00 H new ATOM 0 HA ASP A 19 6.659 -8.628 5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.571 -8.380 8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.076 -7.636 7.683 1.00 0.00 H new ATOM 272 N ASP A 20 5.334 -11.454 5.869 1.00 0.00 N ATOM 273 CA ASP A 20 5.603 -12.879 5.794 1.00 0.00 C ATOM 274 C ASP A 20 6.485 -13.173 4.574 1.00 0.00 C ATOM 275 O ASP A 20 6.900 -14.310 4.348 1.00 0.00 O ATOM 276 CB ASP A 20 4.294 -13.696 5.745 1.00 0.00 C ATOM 277 CG ASP A 20 3.762 -13.918 4.347 1.00 0.00 C ATOM 278 OD1 ASP A 20 3.297 -12.945 3.706 1.00 0.00 O ATOM 279 OD2 ASP A 20 3.803 -15.077 3.850 1.00 0.00 O ATOM 0 H ASP A 20 4.444 -11.171 5.460 1.00 0.00 H new ATOM 0 HA ASP A 20 6.136 -13.182 6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.464 -14.664 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.535 -13.183 6.335 1.00 0.00 H new ATOM 284 N GLY A 21 6.767 -12.128 3.805 1.00 0.00 N ATOM 285 CA GLY A 21 7.612 -12.250 2.648 1.00 0.00 C ATOM 286 C GLY A 21 6.821 -12.414 1.375 1.00 0.00 C ATOM 287 O GLY A 21 7.157 -13.245 0.530 1.00 0.00 O ATOM 0 H GLY A 21 6.415 -11.186 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.245 -11.366 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.275 -13.106 2.774 1.00 0.00 H new ATOM 291 N THR A 22 5.772 -11.638 1.224 1.00 0.00 N ATOM 292 CA THR A 22 4.934 -11.739 0.050 1.00 0.00 C ATOM 293 C THR A 22 4.679 -10.362 -0.559 1.00 0.00 C ATOM 294 O THR A 22 4.204 -9.456 0.121 1.00 0.00 O ATOM 295 CB THR A 22 3.596 -12.387 0.423 1.00 0.00 C ATOM 296 OG1 THR A 22 3.852 -13.558 1.202 1.00 0.00 O ATOM 297 CG2 THR A 22 2.786 -12.759 -0.813 1.00 0.00 C ATOM 0 H THR A 22 5.479 -10.931 1.898 1.00 0.00 H new ATOM 0 HA THR A 22 5.450 -12.355 -0.686 1.00 0.00 H new ATOM 0 HB THR A 22 3.011 -11.667 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.313 -13.531 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.845 -13.216 -0.507 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.581 -11.862 -1.397 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.352 -13.466 -1.420 1.00 0.00 H new ATOM 305 N PHE A 23 5.018 -10.207 -1.810 1.00 0.00 N ATOM 306 CA PHE A 23 4.782 -8.972 -2.518 1.00 0.00 C ATOM 307 C PHE A 23 3.339 -8.947 -2.985 1.00 0.00 C ATOM 308 O PHE A 23 2.860 -9.914 -3.583 1.00 0.00 O ATOM 309 CB PHE A 23 5.732 -8.860 -3.718 1.00 0.00 C ATOM 310 CG PHE A 23 5.516 -7.638 -4.574 1.00 0.00 C ATOM 311 CD1 PHE A 23 5.678 -6.366 -4.050 1.00 0.00 C ATOM 312 CD2 PHE A 23 5.145 -7.766 -5.903 1.00 0.00 C ATOM 313 CE1 PHE A 23 5.476 -5.251 -4.834 1.00 0.00 C ATOM 314 CE2 PHE A 23 4.942 -6.650 -6.690 1.00 0.00 C ATOM 315 CZ PHE A 23 5.108 -5.392 -6.156 1.00 0.00 C ATOM 0 H PHE A 23 5.466 -10.932 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 23 4.968 -8.126 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.759 -8.856 -3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.618 -9.748 -4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.966 -6.247 -3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.013 -8.750 -6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.606 -4.265 -4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.653 -6.764 -7.724 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.951 -4.518 -6.770 1.00 0.00 H new ATOM 325 N VAL A 24 2.646 -7.876 -2.692 1.00 0.00 N ATOM 326 CA VAL A 24 1.269 -7.742 -3.094 1.00 0.00 C ATOM 327 C VAL A 24 1.221 -6.971 -4.406 1.00 0.00 C ATOM 328 O VAL A 24 0.910 -7.533 -5.455 1.00 0.00 O ATOM 329 CB VAL A 24 0.417 -7.012 -2.007 1.00 0.00 C ATOM 330 CG1 VAL A 24 -1.066 -7.077 -2.336 1.00 0.00 C ATOM 331 CG2 VAL A 24 0.681 -7.598 -0.624 1.00 0.00 C ATOM 0 H VAL A 24 3.016 -7.079 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 24 0.841 -8.736 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 24 0.718 -5.964 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.633 -6.561 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.246 -6.598 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.383 -8.119 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.076 -7.073 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.420 -8.656 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.736 -7.484 -0.376 1.00 0.00 H new ATOM 341 N CYS A 25 1.581 -5.708 -4.346 1.00 0.00 N ATOM 342 CA CYS A 25 1.616 -4.828 -5.504 1.00 0.00 C ATOM 343 C CYS A 25 2.284 -3.530 -5.102 1.00 0.00 C ATOM 344 O CYS A 25 2.619 -3.348 -3.940 1.00 0.00 O ATOM 345 CB CYS A 25 0.200 -4.572 -6.071 1.00 0.00 C ATOM 346 SG CYS A 25 -1.132 -4.525 -4.823 1.00 0.00 S ATOM 0 H CYS A 25 1.863 -5.251 -3.479 1.00 0.00 H new ATOM 0 HA CYS A 25 2.187 -5.307 -6.300 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.206 -3.625 -6.610 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.031 -5.351 -6.798 1.00 0.00 H new ATOM 351 N GLU A 26 2.506 -2.658 -6.034 1.00 0.00 N ATOM 352 CA GLU A 26 3.162 -1.411 -5.765 1.00 0.00 C ATOM 353 C GLU A 26 2.144 -0.298 -5.702 1.00 0.00 C ATOM 354 O GLU A 26 1.044 -0.441 -6.236 1.00 0.00 O ATOM 355 CB GLU A 26 4.157 -1.136 -6.868 1.00 0.00 C ATOM 356 CG GLU A 26 5.384 -2.000 -6.815 1.00 0.00 C ATOM 357 CD GLU A 26 6.166 -1.931 -8.081 1.00 0.00 C ATOM 358 OE1 GLU A 26 5.791 -2.590 -9.058 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.162 -1.212 -8.138 1.00 0.00 O ATOM 0 H GLU A 26 2.237 -2.789 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 26 3.679 -1.466 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.666 -1.280 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.460 -0.090 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.013 -1.687 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.093 -3.033 -6.624 1.00 0.00 H new ATOM 366 N GLY A 27 2.500 0.791 -5.033 1.00 0.00 N ATOM 367 CA GLY A 27 1.627 1.943 -4.972 1.00 0.00 C ATOM 368 C GLY A 27 1.394 2.513 -6.352 1.00 0.00 C ATOM 369 O GLY A 27 2.353 2.711 -7.116 1.00 0.00 O ATOM 0 H GLY A 27 3.381 0.895 -4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.674 1.660 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.067 2.705 -4.328 1.00 0.00 H new ATOM 373 N GLU A 28 0.160 2.770 -6.669 1.00 0.00 N ATOM 374 CA GLU A 28 -0.217 3.226 -7.982 1.00 0.00 C ATOM 375 C GLU A 28 -0.435 4.739 -7.983 1.00 0.00 C ATOM 376 O GLU A 28 -0.233 5.413 -9.002 1.00 0.00 O ATOM 377 CB GLU A 28 -1.502 2.501 -8.410 1.00 0.00 C ATOM 378 CG GLU A 28 -1.660 2.328 -9.909 1.00 0.00 C ATOM 379 CD GLU A 28 -3.036 1.854 -10.282 1.00 0.00 C ATOM 380 OE1 GLU A 28 -3.303 0.630 -10.260 1.00 0.00 O ATOM 381 OE2 GLU A 28 -3.901 2.698 -10.582 1.00 0.00 O ATOM 0 H GLU A 28 -0.622 2.670 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 28 0.583 3.002 -8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.523 1.518 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.360 3.055 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.457 3.276 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.921 1.614 -10.271 1.00 0.00 H new ATOM 388 N SER A 29 -0.807 5.277 -6.837 1.00 0.00 N ATOM 389 CA SER A 29 -1.111 6.662 -6.743 1.00 0.00 C ATOM 390 C SER A 29 0.117 7.525 -6.617 1.00 0.00 C ATOM 391 O SER A 29 1.007 7.298 -5.778 1.00 0.00 O ATOM 392 CB SER A 29 -2.130 6.929 -5.661 1.00 0.00 C ATOM 393 OG SER A 29 -3.388 6.432 -6.071 1.00 0.00 O ATOM 0 H SER A 29 -0.901 4.759 -5.963 1.00 0.00 H new ATOM 0 HA SER A 29 -1.568 6.952 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.823 6.451 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.196 7.999 -5.463 1.00 0.00 H new ATOM 0 HG SER A 29 -3.262 5.769 -6.782 1.00 0.00 H new ATOM 399 N ASP A 30 0.150 8.487 -7.480 1.00 0.00 N ATOM 400 CA ASP A 30 1.211 9.430 -7.629 1.00 0.00 C ATOM 401 C ASP A 30 0.554 10.716 -8.081 1.00 0.00 C ATOM 402 O ASP A 30 -0.350 10.639 -8.884 1.00 0.00 O ATOM 403 CB ASP A 30 2.193 8.899 -8.692 1.00 0.00 C ATOM 404 CG ASP A 30 3.024 9.962 -9.358 1.00 0.00 C ATOM 405 OD1 ASP A 30 4.006 10.440 -8.757 1.00 0.00 O ATOM 406 OD2 ASP A 30 2.723 10.309 -10.518 1.00 0.00 O ATOM 0 H ASP A 30 -0.610 8.646 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 30 1.773 9.592 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.859 8.175 -8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.628 8.365 -9.456 1.00 0.00 H new ATOM 411 N PRO A 31 0.991 11.886 -7.539 1.00 0.00 N ATOM 412 CA PRO A 31 0.445 13.243 -7.755 1.00 0.00 C ATOM 413 C PRO A 31 -0.553 13.483 -8.915 1.00 0.00 C ATOM 414 O PRO A 31 -1.608 14.084 -8.691 1.00 0.00 O ATOM 415 CB PRO A 31 1.717 14.041 -7.937 1.00 0.00 C ATOM 416 CG PRO A 31 2.689 13.395 -6.988 1.00 0.00 C ATOM 417 CD PRO A 31 2.135 12.015 -6.641 1.00 0.00 C ATOM 0 HA PRO A 31 -0.206 13.514 -6.923 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.073 13.995 -8.966 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.566 15.094 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.674 13.310 -7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.807 13.999 -6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.872 11.230 -6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.836 11.951 -5.595 1.00 0.00 H new ATOM 425 N ARG A 32 -0.217 13.078 -10.134 1.00 0.00 N ATOM 426 CA ARG A 32 -1.113 13.276 -11.271 1.00 0.00 C ATOM 427 C ARG A 32 -2.416 12.501 -11.091 1.00 0.00 C ATOM 428 O ARG A 32 -3.497 13.023 -11.371 1.00 0.00 O ATOM 429 CB ARG A 32 -0.422 12.892 -12.588 1.00 0.00 C ATOM 430 CG ARG A 32 -1.167 13.297 -13.869 1.00 0.00 C ATOM 431 CD ARG A 32 -1.628 14.760 -13.850 1.00 0.00 C ATOM 432 NE ARG A 32 -0.623 15.669 -13.271 1.00 0.00 N ATOM 433 CZ ARG A 32 -0.917 16.797 -12.599 1.00 0.00 C ATOM 434 NH1 ARG A 32 -2.175 17.236 -12.537 1.00 0.00 N ATOM 435 NH2 ARG A 32 0.050 17.491 -12.010 1.00 0.00 N ATOM 0 H ARG A 32 0.662 12.614 -10.362 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.362 14.336 -11.317 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.568 13.348 -12.605 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.276 11.812 -12.600 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.516 13.137 -14.729 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.034 12.649 -14.000 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.855 15.078 -14.868 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.553 14.837 -13.278 1.00 0.00 H new ATOM 0 HE ARG A 32 0.361 15.427 -13.387 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.920 16.716 -13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.392 18.092 -12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.016 17.169 -12.067 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.173 18.346 -11.501 1.00 0.00 H new ATOM 449 N ASN A 33 -2.304 11.264 -10.670 1.00 0.00 N ATOM 450 CA ASN A 33 -3.461 10.444 -10.388 1.00 0.00 C ATOM 451 C ASN A 33 -3.862 10.537 -8.903 1.00 0.00 C ATOM 452 O ASN A 33 -3.151 10.063 -8.009 1.00 0.00 O ATOM 453 CB ASN A 33 -3.315 8.968 -10.892 1.00 0.00 C ATOM 454 CG ASN A 33 -2.502 8.017 -10.008 1.00 0.00 C ATOM 455 OD1 ASN A 33 -3.034 7.403 -9.078 1.00 0.00 O ATOM 456 ND2 ASN A 33 -1.231 7.870 -10.294 1.00 0.00 N ATOM 0 H ASN A 33 -1.411 10.797 -10.513 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.286 10.854 -10.970 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.314 8.549 -11.013 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.856 8.990 -11.881 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.654 7.235 -9.742 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.819 8.391 -11.068 1.00 0.00 H new ATOM 463 N PRO A 34 -4.962 11.217 -8.611 1.00 0.00 N ATOM 464 CA PRO A 34 -5.498 11.313 -7.275 1.00 0.00 C ATOM 465 C PRO A 34 -6.565 10.235 -7.052 1.00 0.00 C ATOM 466 O PRO A 34 -7.766 10.527 -6.936 1.00 0.00 O ATOM 467 CB PRO A 34 -6.113 12.713 -7.259 1.00 0.00 C ATOM 468 CG PRO A 34 -6.486 12.995 -8.685 1.00 0.00 C ATOM 469 CD PRO A 34 -5.762 11.985 -9.555 1.00 0.00 C ATOM 0 HA PRO A 34 -4.757 11.164 -6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.987 12.752 -6.608 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.403 13.451 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.564 12.915 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.204 14.011 -8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.463 11.348 -10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.137 12.476 -10.301 1.00 0.00 H new ATOM 477 N LYS A 35 -6.130 8.992 -7.033 1.00 0.00 N ATOM 478 CA LYS A 35 -7.030 7.875 -6.856 1.00 0.00 C ATOM 479 C LYS A 35 -7.480 7.770 -5.423 1.00 0.00 C ATOM 480 O LYS A 35 -6.821 7.136 -4.591 1.00 0.00 O ATOM 481 CB LYS A 35 -6.376 6.568 -7.270 1.00 0.00 C ATOM 482 CG LYS A 35 -6.180 6.398 -8.758 1.00 0.00 C ATOM 483 CD LYS A 35 -5.588 5.037 -9.066 1.00 0.00 C ATOM 484 CE LYS A 35 -6.521 3.917 -8.633 1.00 0.00 C ATOM 485 NZ LYS A 35 -5.959 2.592 -8.913 1.00 0.00 N ATOM 0 H LYS A 35 -5.150 8.730 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.895 8.055 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.405 6.493 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.984 5.742 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.135 6.510 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.522 7.181 -9.135 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.392 4.957 -10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.630 4.932 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.723 4.006 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.476 4.022 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.729 1.927 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.316 2.653 -9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.433 2.255 -8.081 1.00 0.00 H new ATOM 499 N ALA A 36 -8.583 8.385 -5.126 1.00 0.00 N ATOM 500 CA ALA A 36 -9.136 8.334 -3.812 1.00 0.00 C ATOM 501 C ALA A 36 -9.926 7.052 -3.670 1.00 0.00 C ATOM 502 O ALA A 36 -11.139 7.019 -3.897 1.00 0.00 O ATOM 503 CB ALA A 36 -10.000 9.556 -3.544 1.00 0.00 C ATOM 0 H ALA A 36 -9.125 8.937 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.336 8.343 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.412 9.497 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.394 10.457 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.815 9.591 -4.267 1.00 0.00 H new ATOM 509 N CYS A 37 -9.225 5.994 -3.375 1.00 0.00 N ATOM 510 CA CYS A 37 -9.836 4.703 -3.185 1.00 0.00 C ATOM 511 C CYS A 37 -10.446 4.619 -1.792 1.00 0.00 C ATOM 512 O CYS A 37 -10.076 5.401 -0.891 1.00 0.00 O ATOM 513 CB CYS A 37 -8.812 3.581 -3.416 1.00 0.00 C ATOM 514 SG CYS A 37 -8.128 3.529 -5.123 1.00 0.00 S ATOM 0 H CYS A 37 -8.212 5.999 -3.259 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.634 4.575 -3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.990 3.703 -2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.283 2.623 -3.195 1.00 0.00 H new ATOM 519 N THR A 38 -11.375 3.704 -1.624 1.00 0.00 N ATOM 520 CA THR A 38 -12.115 3.548 -0.396 1.00 0.00 C ATOM 521 C THR A 38 -11.207 3.109 0.780 1.00 0.00 C ATOM 522 O THR A 38 -10.038 2.770 0.592 1.00 0.00 O ATOM 523 CB THR A 38 -13.259 2.546 -0.641 1.00 0.00 C ATOM 524 OG1 THR A 38 -13.681 2.703 -2.004 1.00 0.00 O ATOM 525 CG2 THR A 38 -14.454 2.838 0.259 1.00 0.00 C ATOM 0 H THR A 38 -11.640 3.038 -2.350 1.00 0.00 H new ATOM 0 HA THR A 38 -12.531 4.512 -0.103 1.00 0.00 H new ATOM 0 HB THR A 38 -12.904 1.538 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 38 -14.410 2.076 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.244 2.113 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 38 -14.149 2.767 1.303 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.825 3.843 0.057 1.00 0.00 H new ATOM 533 N LEU A 39 -11.789 3.035 1.964 1.00 0.00 N ATOM 534 CA LEU A 39 -11.082 2.819 3.213 1.00 0.00 C ATOM 535 C LEU A 39 -10.904 1.337 3.463 1.00 0.00 C ATOM 536 O LEU A 39 -11.049 0.846 4.595 1.00 0.00 O ATOM 537 CB LEU A 39 -11.848 3.478 4.385 1.00 0.00 C ATOM 538 CG LEU A 39 -11.800 5.019 4.501 1.00 0.00 C ATOM 539 CD1 LEU A 39 -10.376 5.536 4.405 1.00 0.00 C ATOM 540 CD2 LEU A 39 -12.701 5.696 3.473 1.00 0.00 C ATOM 0 H LEU A 39 -12.798 3.126 2.086 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.097 3.280 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.894 3.180 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.462 3.060 5.315 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.184 5.277 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.377 6.623 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.779 5.109 5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.948 5.248 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.637 6.778 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.379 5.420 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.731 5.375 3.625 1.00 0.00 H new ATOM 552 N ASN A 40 -10.653 0.646 2.392 1.00 0.00 N ATOM 553 CA ASN A 40 -10.369 -0.779 2.394 1.00 0.00 C ATOM 554 C ASN A 40 -9.112 -1.046 3.192 1.00 0.00 C ATOM 555 O ASN A 40 -8.044 -0.512 2.889 1.00 0.00 O ATOM 556 CB ASN A 40 -10.187 -1.304 0.955 1.00 0.00 C ATOM 557 CG ASN A 40 -11.481 -1.774 0.313 1.00 0.00 C ATOM 558 OD1 ASN A 40 -12.246 -0.975 -0.245 1.00 0.00 O ATOM 559 ND2 ASN A 40 -11.746 -3.060 0.376 1.00 0.00 N ATOM 0 H ASN A 40 -10.637 1.059 1.460 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.212 -1.298 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.752 -0.515 0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.475 -2.129 0.965 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.602 -3.425 -0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.096 -3.692 0.843 1.00 0.00 H new ATOM 566 N CYS A 41 -9.246 -1.810 4.231 1.00 0.00 N ATOM 567 CA CYS A 41 -8.122 -2.161 5.055 1.00 0.00 C ATOM 568 C CYS A 41 -7.607 -3.515 4.624 1.00 0.00 C ATOM 569 O CYS A 41 -8.252 -4.543 4.881 1.00 0.00 O ATOM 570 CB CYS A 41 -8.526 -2.189 6.533 1.00 0.00 C ATOM 571 SG CYS A 41 -9.452 -0.708 7.096 1.00 0.00 S ATOM 0 H CYS A 41 -10.134 -2.209 4.535 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.337 -1.415 4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.136 -3.074 6.713 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.627 -2.293 7.141 1.00 0.00 H new ATOM 576 N ASP A 42 -6.503 -3.514 3.914 1.00 0.00 N ATOM 577 CA ASP A 42 -5.900 -4.738 3.425 1.00 0.00 C ATOM 578 C ASP A 42 -4.795 -5.203 4.363 1.00 0.00 C ATOM 579 O ASP A 42 -3.677 -4.649 4.347 1.00 0.00 O ATOM 580 CB ASP A 42 -5.322 -4.548 2.018 1.00 0.00 C ATOM 581 CG ASP A 42 -5.268 -5.844 1.245 1.00 0.00 C ATOM 582 OD1 ASP A 42 -4.971 -6.902 1.842 1.00 0.00 O ATOM 583 OD2 ASP A 42 -5.555 -5.828 0.025 1.00 0.00 O ATOM 0 H ASP A 42 -5.996 -2.667 3.658 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.684 -5.494 3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.929 -3.826 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.318 -4.129 2.093 1.00 0.00 H new ATOM 588 N PRO A 43 -5.067 -6.248 5.169 1.00 0.00 N ATOM 589 CA PRO A 43 -4.115 -6.788 6.139 1.00 0.00 C ATOM 590 C PRO A 43 -3.040 -7.644 5.470 1.00 0.00 C ATOM 591 O PRO A 43 -2.090 -8.121 6.123 1.00 0.00 O ATOM 592 CB PRO A 43 -4.989 -7.653 7.064 1.00 0.00 C ATOM 593 CG PRO A 43 -6.398 -7.389 6.647 1.00 0.00 C ATOM 594 CD PRO A 43 -6.328 -6.984 5.215 1.00 0.00 C ATOM 0 HA PRO A 43 -3.575 -5.999 6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.741 -8.710 6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.834 -7.389 8.110 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.016 -8.278 6.772 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.845 -6.602 7.255 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.322 -7.845 4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.175 -6.362 4.925 1.00 0.00 H new ATOM 602 N ARG A 44 -3.172 -7.826 4.158 1.00 0.00 N ATOM 603 CA ARG A 44 -2.202 -8.575 3.390 1.00 0.00 C ATOM 604 C ARG A 44 -0.991 -7.696 3.146 1.00 0.00 C ATOM 605 O ARG A 44 0.057 -8.150 2.711 1.00 0.00 O ATOM 606 CB ARG A 44 -2.828 -9.070 2.072 1.00 0.00 C ATOM 607 CG ARG A 44 -2.028 -10.125 1.292 1.00 0.00 C ATOM 608 CD ARG A 44 -1.460 -11.235 2.185 1.00 0.00 C ATOM 609 NE ARG A 44 -2.372 -11.656 3.278 1.00 0.00 N ATOM 610 CZ ARG A 44 -1.948 -12.180 4.447 1.00 0.00 C ATOM 611 NH1 ARG A 44 -0.694 -12.603 4.553 1.00 0.00 N ATOM 612 NH2 ARG A 44 -2.794 -12.346 5.465 1.00 0.00 N ATOM 0 H ARG A 44 -3.949 -7.459 3.609 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.885 -9.459 3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.812 -9.482 2.294 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.983 -8.209 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.671 -10.571 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.208 -9.635 0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.227 -12.101 1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.521 -10.892 2.620 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.376 -11.543 3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.062 -12.530 3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.363 -13.001 5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.772 -12.076 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.462 -12.743 6.344 1.00 0.00 H new ATOM 626 N ILE A 45 -1.145 -6.442 3.454 1.00 0.00 N ATOM 627 CA ILE A 45 -0.081 -5.512 3.371 1.00 0.00 C ATOM 628 C ILE A 45 0.436 -5.259 4.758 1.00 0.00 C ATOM 629 O ILE A 45 -0.333 -5.041 5.696 1.00 0.00 O ATOM 630 CB ILE A 45 -0.539 -4.196 2.713 1.00 0.00 C ATOM 631 CG1 ILE A 45 -0.837 -4.466 1.258 1.00 0.00 C ATOM 632 CG2 ILE A 45 0.531 -3.115 2.842 1.00 0.00 C ATOM 633 CD1 ILE A 45 -1.624 -3.369 0.568 1.00 0.00 C ATOM 0 H ILE A 45 -2.027 -6.041 3.773 1.00 0.00 H new ATOM 0 HA ILE A 45 0.712 -5.923 2.746 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.434 -3.833 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.104 -4.611 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.394 -5.400 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.180 -2.198 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.732 -2.926 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.446 -3.449 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.794 -3.643 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.582 -3.238 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.062 -2.436 0.610 1.00 0.00 H new ATOM 645 N ALA A 46 1.713 -5.351 4.902 1.00 0.00 N ATOM 646 CA ALA A 46 2.333 -5.079 6.169 1.00 0.00 C ATOM 647 C ALA A 46 2.775 -3.649 6.188 1.00 0.00 C ATOM 648 O ALA A 46 2.649 -2.953 7.204 1.00 0.00 O ATOM 649 CB ALA A 46 3.495 -6.004 6.424 1.00 0.00 C ATOM 0 H ALA A 46 2.359 -5.614 4.157 1.00 0.00 H new ATOM 0 HA ALA A 46 1.610 -5.252 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.941 -5.770 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.145 -7.036 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.241 -5.875 5.640 1.00 0.00 H new ATOM 655 N TYR A 47 3.308 -3.219 5.052 1.00 0.00 N ATOM 656 CA TYR A 47 3.735 -1.856 4.827 1.00 0.00 C ATOM 657 C TYR A 47 4.209 -1.727 3.410 1.00 0.00 C ATOM 658 O TYR A 47 4.263 -2.726 2.668 1.00 0.00 O ATOM 659 CB TYR A 47 4.847 -1.390 5.815 1.00 0.00 C ATOM 660 CG TYR A 47 6.135 -2.213 5.834 1.00 0.00 C ATOM 661 CD1 TYR A 47 6.147 -3.529 6.278 1.00 0.00 C ATOM 662 CD2 TYR A 47 7.334 -1.659 5.428 1.00 0.00 C ATOM 663 CE1 TYR A 47 7.303 -4.264 6.311 1.00 0.00 C ATOM 664 CE2 TYR A 47 8.501 -2.390 5.464 1.00 0.00 C ATOM 665 CZ TYR A 47 8.477 -3.695 5.904 1.00 0.00 C ATOM 666 OH TYR A 47 9.638 -4.428 5.950 1.00 0.00 O ATOM 0 H TYR A 47 3.456 -3.827 4.247 1.00 0.00 H new ATOM 0 HA TYR A 47 2.879 -1.206 5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.105 -0.359 5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.429 -1.388 6.822 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.224 -3.984 6.605 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.357 -0.638 5.077 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.286 -5.287 6.657 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.431 -1.942 5.148 1.00 0.00 H new ATOM 0 HH TYR A 47 10.384 -3.881 5.626 1.00 0.00 H new ATOM 676 N GLY A 48 4.511 -0.532 3.024 1.00 0.00 N ATOM 677 CA GLY A 48 5.037 -0.296 1.727 1.00 0.00 C ATOM 678 C GLY A 48 6.523 -0.145 1.807 1.00 0.00 C ATOM 679 O GLY A 48 7.018 0.799 2.423 1.00 0.00 O ATOM 0 H GLY A 48 4.400 0.303 3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.781 -1.122 1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.592 0.604 1.302 1.00 0.00 H new ATOM 683 N VAL A 49 7.239 -1.071 1.223 1.00 0.00 N ATOM 684 CA VAL A 49 8.679 -1.038 1.246 1.00 0.00 C ATOM 685 C VAL A 49 9.193 -0.053 0.198 1.00 0.00 C ATOM 686 O VAL A 49 9.155 -0.320 -1.009 1.00 0.00 O ATOM 687 CB VAL A 49 9.323 -2.467 1.053 1.00 0.00 C ATOM 688 CG1 VAL A 49 10.829 -2.382 0.822 1.00 0.00 C ATOM 689 CG2 VAL A 49 9.064 -3.319 2.274 1.00 0.00 C ATOM 0 H VAL A 49 6.843 -1.865 0.720 1.00 0.00 H new ATOM 0 HA VAL A 49 8.985 -0.699 2.235 1.00 0.00 H new ATOM 0 HB VAL A 49 8.862 -2.915 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.235 -3.386 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.027 -1.793 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.303 -1.906 1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.511 -4.303 2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.504 -2.843 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.989 -3.427 2.421 1.00 0.00 H new ATOM 699 N CYS A 50 9.552 1.109 0.666 1.00 0.00 N ATOM 700 CA CYS A 50 10.193 2.118 -0.137 1.00 0.00 C ATOM 701 C CYS A 50 11.683 2.021 0.113 1.00 0.00 C ATOM 702 O CYS A 50 12.090 1.606 1.206 1.00 0.00 O ATOM 703 CB CYS A 50 9.687 3.529 0.236 1.00 0.00 C ATOM 704 SG CYS A 50 8.248 4.124 -0.731 1.00 0.00 S ATOM 0 H CYS A 50 9.405 1.389 1.636 1.00 0.00 H new ATOM 0 HA CYS A 50 9.962 1.956 -1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 50 9.421 3.534 1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.507 4.236 0.110 1.00 0.00 H new ATOM 709 N PRO A 51 12.525 2.370 -0.877 1.00 0.00 N ATOM 710 CA PRO A 51 13.984 2.313 -0.737 1.00 0.00 C ATOM 711 C PRO A 51 14.515 3.424 0.185 1.00 0.00 C ATOM 712 O PRO A 51 15.199 4.357 -0.256 1.00 0.00 O ATOM 713 CB PRO A 51 14.502 2.512 -2.179 1.00 0.00 C ATOM 714 CG PRO A 51 13.297 2.401 -3.058 1.00 0.00 C ATOM 715 CD PRO A 51 12.135 2.824 -2.221 1.00 0.00 C ATOM 0 HA PRO A 51 14.314 1.377 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 51 14.982 3.484 -2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 51 15.246 1.758 -2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.396 3.037 -3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.168 1.380 -3.416 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.982 3.903 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.206 2.359 -2.552 1.00 0.00 H new ATOM 723 N ARG A 52 14.184 3.319 1.448 1.00 0.00 N ATOM 724 CA ARG A 52 14.602 4.265 2.443 1.00 0.00 C ATOM 725 C ARG A 52 16.019 3.982 2.865 1.00 0.00 C ATOM 726 O ARG A 52 16.390 2.839 3.130 1.00 0.00 O ATOM 727 CB ARG A 52 13.670 4.238 3.653 1.00 0.00 C ATOM 728 CG ARG A 52 12.450 5.139 3.522 1.00 0.00 C ATOM 729 CD ARG A 52 12.856 6.595 3.318 1.00 0.00 C ATOM 730 NE ARG A 52 13.852 7.035 4.311 1.00 0.00 N ATOM 731 CZ ARG A 52 14.471 8.220 4.322 1.00 0.00 C ATOM 732 NH1 ARG A 52 14.090 9.191 3.513 1.00 0.00 N ATOM 733 NH2 ARG A 52 15.432 8.434 5.198 1.00 0.00 N ATOM 0 H ARG A 52 13.608 2.562 1.815 1.00 0.00 H new ATOM 0 HA ARG A 52 14.556 5.262 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.335 3.214 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.233 4.534 4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.840 4.808 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.834 5.053 4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.264 6.720 2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.973 7.230 3.384 1.00 0.00 H new ATOM 0 HE ARG A 52 14.090 6.378 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.314 9.042 2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.572 10.090 3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.695 7.700 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.913 9.333 5.218 1.00 0.00 H new ATOM 747 N SER A 53 16.803 4.992 2.891 1.00 0.00 N ATOM 748 CA SER A 53 18.172 4.871 3.246 1.00 0.00 C ATOM 749 C SER A 53 18.329 5.172 4.730 1.00 0.00 C ATOM 750 O SER A 53 17.805 6.196 5.184 1.00 0.00 O ATOM 751 CB SER A 53 18.960 5.845 2.400 1.00 0.00 C ATOM 752 OG SER A 53 18.424 5.889 1.071 1.00 0.00 O ATOM 753 OXT SER A 53 18.948 4.384 5.460 1.00 0.00 O ATOM 0 H SER A 53 16.511 5.943 2.663 1.00 0.00 H new ATOM 0 HA SER A 53 18.542 3.862 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 53 18.925 6.838 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 53 20.008 5.546 2.368 1.00 0.00 H new ATOM 0 HG SER A 53 18.940 6.524 0.531 1.00 0.00 H new TER 759 SER A 53