USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 44 SER OG : rot -37:sc= 1.48! USER MOD Set 1.2: A 47 THR OG1 : rot 18:sc= 0.906! USER MOD Set 2.1: A 33 ASN : amide:sc= -0.608 K(o=-0.51,f=-6.3!) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.0932 X(o=-0.51,f=-0.7) USER MOD Set 3.1: A 11 TYR OH : rot 165:sc= -2.17 USER MOD Set 3.2: A 17 THR OG1 : rot 150:sc= 0.0498 USER MOD Set 3.3: A 34 LYS NZ :NH3+ -168:sc= 0.163 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 163:sc= -6.38! (180deg=-7.13!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= -1.3 (180deg=-1.3) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -65:sc= 1.16 USER MOD Single : A 28 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 170:sc= -2.23! USER MOD Single : A 31 TYR OH : rot 30:sc= -0.656 USER MOD Single : A 39 ASN :FLIP amide:sc= -2.89 F(o=-6.6!,f=-2.9) USER MOD Single : A 45 ASN : amide:sc= -12.8! C(o=-13!,f=-21!) USER MOD Single : A 49 THR OG1 : rot -86:sc= -4.81! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -11.2! C(o=-11!,f=-21!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.838 8.405 -3.103 1.00 0.00 N ATOM 2 CA LEU A 1 13.086 7.873 -1.732 1.00 0.00 C ATOM 3 C LEU A 1 12.773 8.953 -0.692 1.00 0.00 C ATOM 4 O LEU A 1 13.293 8.940 0.406 1.00 0.00 O ATOM 5 CB LEU A 1 14.548 7.403 -1.583 1.00 0.00 C ATOM 6 CG LEU A 1 15.547 8.432 -2.147 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.484 8.448 -3.677 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.241 9.830 -1.600 1.00 0.00 C ATOM 0 H1 LEU A 1 13.311 7.797 -3.802 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.815 8.417 -3.291 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.214 9.372 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 1 12.433 7.016 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 1 14.766 7.226 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.677 6.452 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 1 16.551 8.144 -1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.194 9.179 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 1 15.735 7.460 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 1 14.477 8.717 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.956 10.545 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 1 14.231 10.121 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.318 9.820 -0.513 1.00 0.00 H new ATOM 22 N ALA A 2 11.923 9.883 -1.029 1.00 0.00 N ATOM 23 CA ALA A 2 11.573 10.959 -0.060 1.00 0.00 C ATOM 24 C ALA A 2 10.057 10.993 0.142 1.00 0.00 C ATOM 25 O ALA A 2 9.332 10.177 -0.391 1.00 0.00 O ATOM 26 CB ALA A 2 12.043 12.307 -0.608 1.00 0.00 C ATOM 0 H ALA A 2 11.456 9.944 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 2 12.061 10.761 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.788 13.096 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.123 12.284 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.553 12.503 -1.562 1.00 0.00 H new ATOM 32 N ALA A 3 9.571 11.932 0.908 1.00 0.00 N ATOM 33 CA ALA A 3 8.102 12.016 1.142 1.00 0.00 C ATOM 34 C ALA A 3 7.586 10.660 1.627 1.00 0.00 C ATOM 35 O ALA A 3 8.328 9.702 1.726 1.00 0.00 O ATOM 36 CB ALA A 3 7.396 12.392 -0.164 1.00 0.00 C ATOM 0 H ALA A 3 10.128 12.644 1.381 1.00 0.00 H new ATOM 0 HA ALA A 3 7.898 12.776 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.321 12.453 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.764 13.358 -0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.600 11.633 -0.919 1.00 0.00 H new ATOM 42 N VAL A 4 6.321 10.570 1.934 1.00 0.00 N ATOM 43 CA VAL A 4 5.761 9.274 2.412 1.00 0.00 C ATOM 44 C VAL A 4 4.778 8.727 1.374 1.00 0.00 C ATOM 45 O VAL A 4 3.582 8.923 1.474 1.00 0.00 O ATOM 46 CB VAL A 4 5.034 9.496 3.739 1.00 0.00 C ATOM 47 CG1 VAL A 4 6.059 9.738 4.849 1.00 0.00 C ATOM 48 CG2 VAL A 4 4.119 10.717 3.620 1.00 0.00 C ATOM 0 H VAL A 4 5.651 11.337 1.875 1.00 0.00 H new ATOM 0 HA VAL A 4 6.570 8.557 2.555 1.00 0.00 H new ATOM 0 HB VAL A 4 4.439 8.615 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.541 9.896 5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.714 8.871 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.654 10.620 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.600 10.876 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.716 11.597 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.388 10.548 2.829 1.00 0.00 H new ATOM 58 N SER A 5 5.271 8.043 0.377 1.00 0.00 N ATOM 59 CA SER A 5 4.366 7.484 -0.668 1.00 0.00 C ATOM 60 C SER A 5 4.921 6.145 -1.160 1.00 0.00 C ATOM 61 O SER A 5 6.110 5.901 -1.118 1.00 0.00 O ATOM 62 CB SER A 5 4.280 8.463 -1.841 1.00 0.00 C ATOM 63 OG SER A 5 3.062 9.192 -1.758 1.00 0.00 O ATOM 0 H SER A 5 6.263 7.847 0.241 1.00 0.00 H new ATOM 0 HA SER A 5 3.372 7.332 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.128 9.147 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.329 7.921 -2.786 1.00 0.00 H new ATOM 0 HG SER A 5 3.005 9.821 -2.507 1.00 0.00 H new ATOM 69 N VAL A 6 4.067 5.272 -1.625 1.00 0.00 N ATOM 70 CA VAL A 6 4.547 3.948 -2.115 1.00 0.00 C ATOM 71 C VAL A 6 4.308 3.846 -3.624 1.00 0.00 C ATOM 72 O VAL A 6 3.387 4.434 -4.157 1.00 0.00 O ATOM 73 CB VAL A 6 3.783 2.831 -1.399 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.639 1.564 -1.359 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.465 3.272 0.031 1.00 0.00 C ATOM 0 H VAL A 6 3.059 5.419 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 6 5.613 3.848 -1.909 1.00 0.00 H new ATOM 0 HB VAL A 6 2.857 2.625 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.092 0.771 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.870 1.249 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.566 1.768 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.921 2.479 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.394 3.478 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.854 4.174 0.006 1.00 0.00 H new ATOM 85 N ASP A 7 5.130 3.104 -4.317 1.00 0.00 N ATOM 86 CA ASP A 7 4.950 2.965 -5.790 1.00 0.00 C ATOM 87 C ASP A 7 4.192 1.672 -6.092 1.00 0.00 C ATOM 88 O ASP A 7 4.569 0.604 -5.654 1.00 0.00 O ATOM 89 CB ASP A 7 6.321 2.922 -6.469 1.00 0.00 C ATOM 90 CG ASP A 7 6.152 3.127 -7.976 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.802 2.171 -8.649 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.378 4.235 -8.432 1.00 0.00 O ATOM 0 H ASP A 7 5.918 2.588 -3.926 1.00 0.00 H new ATOM 0 HA ASP A 7 4.383 3.815 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.967 3.697 -6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.805 1.965 -6.274 1.00 0.00 H new ATOM 97 N CYS A 8 3.125 1.759 -6.840 1.00 0.00 N ATOM 98 CA CYS A 8 2.347 0.533 -7.168 1.00 0.00 C ATOM 99 C CYS A 8 1.853 0.615 -8.616 1.00 0.00 C ATOM 100 O CYS A 8 0.680 0.461 -8.891 1.00 0.00 O ATOM 101 CB CYS A 8 1.145 0.416 -6.226 1.00 0.00 C ATOM 102 SG CYS A 8 1.618 0.954 -4.562 1.00 0.00 S ATOM 0 H CYS A 8 2.760 2.625 -7.237 1.00 0.00 H new ATOM 0 HA CYS A 8 2.986 -0.342 -7.048 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.321 1.026 -6.595 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.791 -0.615 -6.199 1.00 0.00 H new ATOM 107 N SER A 9 2.740 0.861 -9.543 1.00 0.00 N ATOM 108 CA SER A 9 2.320 0.956 -10.971 1.00 0.00 C ATOM 109 C SER A 9 2.398 -0.425 -11.627 1.00 0.00 C ATOM 110 O SER A 9 2.423 -0.548 -12.834 1.00 0.00 O ATOM 111 CB SER A 9 3.246 1.924 -11.711 1.00 0.00 C ATOM 112 OG SER A 9 2.467 2.806 -12.512 1.00 0.00 O ATOM 0 H SER A 9 3.736 1.000 -9.373 1.00 0.00 H new ATOM 0 HA SER A 9 1.294 1.321 -11.021 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.840 2.494 -10.997 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.945 1.369 -12.337 1.00 0.00 H new ATOM 0 HG SER A 9 3.059 3.427 -12.985 1.00 0.00 H new ATOM 118 N GLU A 10 2.440 -1.465 -10.840 1.00 0.00 N ATOM 119 CA GLU A 10 2.520 -2.837 -11.421 1.00 0.00 C ATOM 120 C GLU A 10 1.582 -3.781 -10.664 1.00 0.00 C ATOM 121 O GLU A 10 1.569 -4.975 -10.885 1.00 0.00 O ATOM 122 CB GLU A 10 3.957 -3.341 -11.311 1.00 0.00 C ATOM 123 CG GLU A 10 4.315 -3.583 -9.840 1.00 0.00 C ATOM 124 CD GLU A 10 4.738 -2.264 -9.191 1.00 0.00 C ATOM 125 OE1 GLU A 10 4.725 -1.257 -9.879 1.00 0.00 O ATOM 126 OE2 GLU A 10 5.071 -2.284 -8.018 1.00 0.00 O ATOM 0 H GLU A 10 2.422 -1.425 -9.821 1.00 0.00 H new ATOM 0 HA GLU A 10 2.219 -2.807 -12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.072 -4.264 -11.879 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.641 -2.612 -11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.459 -4.002 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.123 -4.311 -9.767 1.00 0.00 H new ATOM 133 N TYR A 11 0.805 -3.248 -9.766 1.00 0.00 N ATOM 134 CA TYR A 11 -0.130 -4.077 -8.977 1.00 0.00 C ATOM 135 C TYR A 11 -1.426 -4.286 -9.774 1.00 0.00 C ATOM 136 O TYR A 11 -1.665 -3.603 -10.750 1.00 0.00 O ATOM 137 CB TYR A 11 -0.380 -3.341 -7.661 1.00 0.00 C ATOM 138 CG TYR A 11 0.843 -3.522 -6.795 1.00 0.00 C ATOM 139 CD1 TYR A 11 0.960 -4.646 -5.967 1.00 0.00 C ATOM 140 CD2 TYR A 11 1.873 -2.575 -6.837 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.105 -4.818 -5.176 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.016 -2.746 -6.047 1.00 0.00 C ATOM 143 CZ TYR A 11 3.131 -3.867 -5.215 1.00 0.00 C ATOM 144 OH TYR A 11 4.258 -4.037 -4.438 1.00 0.00 O ATOM 0 H TYR A 11 0.782 -2.252 -9.545 1.00 0.00 H new ATOM 0 HA TYR A 11 0.279 -5.066 -8.768 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.566 -2.283 -7.844 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.264 -3.738 -7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.168 -5.380 -5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.786 -1.711 -7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.195 -5.684 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.809 -2.014 -6.079 1.00 0.00 H new ATOM 0 HH TYR A 11 4.965 -3.435 -4.751 1.00 0.00 H new ATOM 154 N PRO A 12 -2.194 -5.262 -9.363 1.00 0.00 N ATOM 155 CA PRO A 12 -1.885 -6.080 -8.177 1.00 0.00 C ATOM 156 C PRO A 12 -0.773 -7.094 -8.466 1.00 0.00 C ATOM 157 O PRO A 12 -0.189 -7.110 -9.532 1.00 0.00 O ATOM 158 CB PRO A 12 -3.203 -6.798 -7.882 1.00 0.00 C ATOM 159 CG PRO A 12 -3.994 -6.815 -9.213 1.00 0.00 C ATOM 160 CD PRO A 12 -3.425 -5.669 -10.071 1.00 0.00 C ATOM 0 HA PRO A 12 -1.524 -5.479 -7.342 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.022 -7.811 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.763 -6.280 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.881 -7.773 -9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.060 -6.674 -9.033 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.209 -6.001 -11.086 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.131 -4.842 -10.150 1.00 0.00 H new ATOM 168 N LYS A 13 -0.480 -7.937 -7.511 1.00 0.00 N ATOM 169 CA LYS A 13 0.591 -8.956 -7.699 1.00 0.00 C ATOM 170 C LYS A 13 0.111 -10.304 -7.147 1.00 0.00 C ATOM 171 O LYS A 13 -0.561 -10.348 -6.136 1.00 0.00 O ATOM 172 CB LYS A 13 1.841 -8.518 -6.934 1.00 0.00 C ATOM 173 CG LYS A 13 3.007 -8.351 -7.908 1.00 0.00 C ATOM 174 CD LYS A 13 4.246 -7.878 -7.146 1.00 0.00 C ATOM 175 CE LYS A 13 5.422 -7.745 -8.114 1.00 0.00 C ATOM 176 NZ LYS A 13 5.349 -6.428 -8.806 1.00 0.00 N ATOM 0 H LYS A 13 -0.942 -7.962 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 13 0.822 -9.054 -8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.651 -7.579 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.092 -9.258 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.214 -9.297 -8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.747 -7.630 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.047 -6.920 -6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.491 -8.586 -6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.364 -7.832 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.399 -8.554 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.149 -6.337 -9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.456 -6.363 -9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.391 -5.663 -8.102 1.00 0.00 H new ATOM 190 N PRO A 14 0.476 -11.365 -7.825 1.00 0.00 N ATOM 191 CA PRO A 14 0.097 -12.736 -7.423 1.00 0.00 C ATOM 192 C PRO A 14 0.997 -13.240 -6.291 1.00 0.00 C ATOM 193 O PRO A 14 1.037 -14.416 -5.990 1.00 0.00 O ATOM 194 CB PRO A 14 0.320 -13.554 -8.695 1.00 0.00 C ATOM 195 CG PRO A 14 1.328 -12.757 -9.555 1.00 0.00 C ATOM 196 CD PRO A 14 1.277 -11.300 -9.067 1.00 0.00 C ATOM 0 HA PRO A 14 -0.924 -12.801 -7.047 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.710 -14.544 -8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.617 -13.701 -9.232 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.333 -13.165 -9.449 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.068 -12.820 -10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.276 -10.908 -8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.814 -10.647 -9.807 1.00 0.00 H new ATOM 204 N ALA A 15 1.717 -12.355 -5.667 1.00 0.00 N ATOM 205 CA ALA A 15 2.620 -12.766 -4.553 1.00 0.00 C ATOM 206 C ALA A 15 2.919 -11.548 -3.671 1.00 0.00 C ATOM 207 O ALA A 15 3.732 -10.712 -4.010 1.00 0.00 O ATOM 208 CB ALA A 15 3.927 -13.309 -5.135 1.00 0.00 C ATOM 0 H ALA A 15 1.721 -11.357 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 15 2.139 -13.540 -3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.589 -13.610 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.713 -14.170 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.411 -12.534 -5.729 1.00 0.00 H new ATOM 214 N CYS A 16 2.264 -11.439 -2.546 1.00 0.00 N ATOM 215 CA CYS A 16 2.509 -10.271 -1.652 1.00 0.00 C ATOM 216 C CYS A 16 3.622 -10.602 -0.657 1.00 0.00 C ATOM 217 O CYS A 16 3.622 -11.647 -0.036 1.00 0.00 O ATOM 218 CB CYS A 16 1.227 -9.937 -0.884 1.00 0.00 C ATOM 219 SG CYS A 16 -0.050 -9.402 -2.048 1.00 0.00 S ATOM 0 H CYS A 16 1.571 -12.107 -2.208 1.00 0.00 H new ATOM 0 HA CYS A 16 2.809 -9.415 -2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.885 -10.810 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.422 -9.151 -0.154 1.00 0.00 H new ATOM 224 N THR A 17 4.567 -9.716 -0.492 1.00 0.00 N ATOM 225 CA THR A 17 5.669 -9.982 0.472 1.00 0.00 C ATOM 226 C THR A 17 5.064 -10.447 1.794 1.00 0.00 C ATOM 227 O THR A 17 3.868 -10.370 1.997 1.00 0.00 O ATOM 228 CB THR A 17 6.476 -8.702 0.700 1.00 0.00 C ATOM 229 OG1 THR A 17 5.666 -7.573 0.400 1.00 0.00 O ATOM 230 CG2 THR A 17 7.707 -8.706 -0.206 1.00 0.00 C ATOM 0 H THR A 17 4.622 -8.823 -0.982 1.00 0.00 H new ATOM 0 HA THR A 17 6.330 -10.752 0.074 1.00 0.00 H new ATOM 0 HB THR A 17 6.795 -8.653 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.942 -6.815 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.281 -7.794 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.327 -9.572 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.392 -8.755 -1.248 1.00 0.00 H new ATOM 238 N LEU A 18 5.868 -10.933 2.697 1.00 0.00 N ATOM 239 CA LEU A 18 5.313 -11.400 3.995 1.00 0.00 C ATOM 240 C LEU A 18 5.597 -10.364 5.084 1.00 0.00 C ATOM 241 O LEU A 18 4.829 -10.211 6.014 1.00 0.00 O ATOM 242 CB LEU A 18 5.954 -12.735 4.382 1.00 0.00 C ATOM 243 CG LEU A 18 5.965 -13.669 3.171 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.407 -13.903 2.719 1.00 0.00 C ATOM 245 CD2 LEU A 18 5.330 -15.007 3.556 1.00 0.00 C ATOM 0 H LEU A 18 6.878 -11.026 2.593 1.00 0.00 H new ATOM 0 HA LEU A 18 4.236 -11.531 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.971 -12.572 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.400 -13.192 5.202 1.00 0.00 H new ATOM 0 HG LEU A 18 5.398 -13.216 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.414 -14.569 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.862 -12.951 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.974 -14.357 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.337 -15.674 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.898 -15.459 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.302 -14.842 3.879 1.00 0.00 H new ATOM 257 N GLU A 19 6.686 -9.648 4.981 1.00 0.00 N ATOM 258 CA GLU A 19 6.999 -8.624 6.018 1.00 0.00 C ATOM 259 C GLU A 19 5.723 -7.842 6.341 1.00 0.00 C ATOM 260 O GLU A 19 5.059 -7.334 5.459 1.00 0.00 O ATOM 261 CB GLU A 19 8.070 -7.668 5.488 1.00 0.00 C ATOM 262 CG GLU A 19 9.402 -8.411 5.370 1.00 0.00 C ATOM 263 CD GLU A 19 9.962 -8.237 3.957 1.00 0.00 C ATOM 264 OE1 GLU A 19 9.171 -8.158 3.033 1.00 0.00 O ATOM 265 OE2 GLU A 19 11.174 -8.186 3.825 1.00 0.00 O ATOM 0 H GLU A 19 7.368 -9.728 4.227 1.00 0.00 H new ATOM 0 HA GLU A 19 7.372 -9.110 6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.773 -7.275 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.175 -6.815 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.111 -8.026 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.260 -9.469 5.588 1.00 0.00 H new ATOM 272 N TYR A 20 5.359 -7.757 7.593 1.00 0.00 N ATOM 273 CA TYR A 20 4.111 -7.025 7.945 1.00 0.00 C ATOM 274 C TYR A 20 4.363 -5.519 7.969 1.00 0.00 C ATOM 275 O TYR A 20 4.597 -4.929 9.005 1.00 0.00 O ATOM 276 CB TYR A 20 3.608 -7.474 9.319 1.00 0.00 C ATOM 277 CG TYR A 20 2.220 -6.918 9.544 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.269 -6.968 8.515 1.00 0.00 C ATOM 279 CD2 TYR A 20 1.884 -6.350 10.778 1.00 0.00 C ATOM 280 CE1 TYR A 20 -0.015 -6.451 8.720 1.00 0.00 C ATOM 281 CE2 TYR A 20 0.600 -5.832 10.984 1.00 0.00 C ATOM 282 CZ TYR A 20 -0.350 -5.882 9.955 1.00 0.00 C ATOM 283 OH TYR A 20 -1.614 -5.373 10.161 1.00 0.00 O ATOM 0 H TYR A 20 5.868 -8.160 8.380 1.00 0.00 H new ATOM 0 HA TYR A 20 3.358 -7.250 7.189 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.591 -8.562 9.376 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.284 -7.125 10.099 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.528 -7.406 7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.616 -6.311 11.572 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.747 -6.491 7.927 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.341 -5.394 11.937 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.679 -5.017 11.072 1.00 0.00 H new ATOM 293 N ARG A 21 4.288 -4.888 6.832 1.00 0.00 N ATOM 294 CA ARG A 21 4.490 -3.416 6.774 1.00 0.00 C ATOM 295 C ARG A 21 3.150 -2.783 6.398 1.00 0.00 C ATOM 296 O ARG A 21 2.924 -2.458 5.252 1.00 0.00 O ATOM 297 CB ARG A 21 5.538 -3.073 5.710 1.00 0.00 C ATOM 298 CG ARG A 21 6.666 -4.110 5.731 1.00 0.00 C ATOM 299 CD ARG A 21 7.348 -4.145 4.362 1.00 0.00 C ATOM 300 NE ARG A 21 8.292 -2.999 4.245 1.00 0.00 N ATOM 301 CZ ARG A 21 8.815 -2.703 3.087 1.00 0.00 C ATOM 302 NH1 ARG A 21 9.847 -3.368 2.647 1.00 0.00 N ATOM 303 NH2 ARG A 21 8.302 -1.745 2.364 1.00 0.00 N ATOM 0 H ARG A 21 4.094 -5.332 5.935 1.00 0.00 H new ATOM 0 HA ARG A 21 4.840 -3.040 7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.073 -3.049 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.944 -2.078 5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.391 -3.859 6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.266 -5.094 5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.884 -5.085 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.600 -4.096 3.570 1.00 0.00 H new ATOM 0 HE ARG A 21 8.529 -2.446 5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.246 -4.120 3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.255 -3.136 1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.492 -1.227 2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.711 -1.514 1.459 1.00 0.00 H new ATOM 317 N PRO A 22 2.294 -2.646 7.379 1.00 0.00 N ATOM 318 CA PRO A 22 0.941 -2.093 7.181 1.00 0.00 C ATOM 319 C PRO A 22 0.988 -0.635 6.754 1.00 0.00 C ATOM 320 O PRO A 22 1.621 0.186 7.380 1.00 0.00 O ATOM 321 CB PRO A 22 0.273 -2.259 8.552 1.00 0.00 C ATOM 322 CG PRO A 22 1.419 -2.416 9.572 1.00 0.00 C ATOM 323 CD PRO A 22 2.613 -2.980 8.783 1.00 0.00 C ATOM 0 HA PRO A 22 0.395 -2.600 6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.345 -1.394 8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.381 -3.131 8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.670 -1.458 10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.133 -3.089 10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.552 -2.526 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.715 -4.056 8.926 1.00 0.00 H new ATOM 331 N LEU A 23 0.319 -0.312 5.680 1.00 0.00 N ATOM 332 CA LEU A 23 0.320 1.092 5.202 1.00 0.00 C ATOM 333 C LEU A 23 -1.092 1.659 5.290 1.00 0.00 C ATOM 334 O LEU A 23 -2.032 1.115 4.744 1.00 0.00 O ATOM 335 CB LEU A 23 0.807 1.132 3.760 1.00 0.00 C ATOM 336 CG LEU A 23 2.037 0.240 3.630 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.876 -0.670 2.421 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.276 1.109 3.452 1.00 0.00 C ATOM 0 H LEU A 23 -0.227 -0.963 5.116 1.00 0.00 H new ATOM 0 HA LEU A 23 0.985 1.692 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.021 0.790 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.051 2.155 3.473 1.00 0.00 H new ATOM 0 HG LEU A 23 2.145 -0.367 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.754 -1.308 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.989 -1.290 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.769 -0.064 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.156 0.473 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.169 1.715 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.390 1.762 4.317 1.00 0.00 H new ATOM 350 N CYS A 24 -1.244 2.751 5.974 1.00 0.00 N ATOM 351 CA CYS A 24 -2.590 3.369 6.109 1.00 0.00 C ATOM 352 C CYS A 24 -2.903 4.162 4.843 1.00 0.00 C ATOM 353 O CYS A 24 -2.087 4.915 4.359 1.00 0.00 O ATOM 354 CB CYS A 24 -2.578 4.321 7.313 1.00 0.00 C ATOM 355 SG CYS A 24 -3.953 5.502 7.213 1.00 0.00 S ATOM 0 H CYS A 24 -0.491 3.248 6.450 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.345 2.596 6.254 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.652 3.747 8.237 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.631 4.860 7.347 1.00 0.00 H new ATOM 360 N GLY A 25 -4.087 4.031 4.320 1.00 0.00 N ATOM 361 CA GLY A 25 -4.446 4.816 3.110 1.00 0.00 C ATOM 362 C GLY A 25 -4.632 6.268 3.539 1.00 0.00 C ATOM 363 O GLY A 25 -4.456 6.598 4.695 1.00 0.00 O ATOM 0 H GLY A 25 -4.819 3.417 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.663 4.737 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.361 4.430 2.661 1.00 0.00 H new ATOM 367 N SER A 26 -5.006 7.145 2.649 1.00 0.00 N ATOM 368 CA SER A 26 -5.210 8.554 3.090 1.00 0.00 C ATOM 369 C SER A 26 -6.658 8.718 3.561 1.00 0.00 C ATOM 370 O SER A 26 -7.210 9.801 3.540 1.00 0.00 O ATOM 371 CB SER A 26 -4.930 9.507 1.934 1.00 0.00 C ATOM 372 OG SER A 26 -5.302 10.826 2.309 1.00 0.00 O ATOM 0 H SER A 26 -5.176 6.956 1.661 1.00 0.00 H new ATOM 0 HA SER A 26 -4.527 8.787 3.907 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.873 9.476 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.487 9.198 1.050 1.00 0.00 H new ATOM 0 HG SER A 26 -6.271 10.864 2.453 1.00 0.00 H new ATOM 378 N ASP A 27 -7.278 7.644 3.982 1.00 0.00 N ATOM 379 CA ASP A 27 -8.688 7.720 4.453 1.00 0.00 C ATOM 380 C ASP A 27 -8.875 6.768 5.640 1.00 0.00 C ATOM 381 O ASP A 27 -9.986 6.460 6.025 1.00 0.00 O ATOM 382 CB ASP A 27 -9.623 7.301 3.320 1.00 0.00 C ATOM 383 CG ASP A 27 -9.463 5.801 3.062 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.451 5.422 2.493 1.00 0.00 O ATOM 385 OD2 ASP A 27 -10.351 5.057 3.443 1.00 0.00 O ATOM 0 H ASP A 27 -6.862 6.713 4.018 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.918 8.741 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.656 7.529 3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.393 7.864 2.416 1.00 0.00 H new ATOM 390 N ASN A 28 -7.793 6.303 6.213 1.00 0.00 N ATOM 391 CA ASN A 28 -7.881 5.369 7.379 1.00 0.00 C ATOM 392 C ASN A 28 -8.063 3.925 6.893 1.00 0.00 C ATOM 393 O ASN A 28 -8.673 3.113 7.558 1.00 0.00 O ATOM 394 CB ASN A 28 -9.067 5.755 8.270 1.00 0.00 C ATOM 395 CG ASN A 28 -8.888 5.137 9.657 1.00 0.00 C ATOM 396 OD1 ASN A 28 -8.196 5.683 10.493 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.490 4.015 9.944 1.00 0.00 N ATOM 0 H ASN A 28 -6.843 6.532 5.920 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.956 5.441 7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.137 6.840 8.350 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.999 5.408 7.823 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.379 3.599 10.868 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.072 3.555 9.244 1.00 0.00 H new ATOM 404 N LYS A 29 -7.535 3.593 5.745 1.00 0.00 N ATOM 405 CA LYS A 29 -7.682 2.197 5.236 1.00 0.00 C ATOM 406 C LYS A 29 -6.350 1.450 5.379 1.00 0.00 C ATOM 407 O LYS A 29 -5.499 1.509 4.515 1.00 0.00 O ATOM 408 CB LYS A 29 -8.088 2.228 3.762 1.00 0.00 C ATOM 409 CG LYS A 29 -9.071 1.091 3.482 1.00 0.00 C ATOM 410 CD LYS A 29 -9.621 1.227 2.062 1.00 0.00 C ATOM 411 CE LYS A 29 -10.776 2.228 2.057 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.905 1.676 1.256 1.00 0.00 N ATOM 0 H LYS A 29 -7.010 4.224 5.140 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.450 1.685 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.546 3.187 3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.207 2.126 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.573 0.129 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.888 1.117 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.834 1.560 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.964 0.258 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.103 2.428 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.447 3.178 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.692 2.356 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.588 1.507 0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.224 0.780 1.677 1.00 0.00 H new ATOM 426 N THR A 30 -6.163 0.751 6.466 1.00 0.00 N ATOM 427 CA THR A 30 -4.883 0.008 6.668 1.00 0.00 C ATOM 428 C THR A 30 -4.799 -1.176 5.703 1.00 0.00 C ATOM 429 O THR A 30 -5.767 -1.866 5.456 1.00 0.00 O ATOM 430 CB THR A 30 -4.816 -0.518 8.110 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.509 0.556 8.987 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.732 -1.602 8.224 1.00 0.00 C ATOM 0 H THR A 30 -6.840 0.662 7.223 1.00 0.00 H new ATOM 0 HA THR A 30 -4.051 0.687 6.479 1.00 0.00 H new ATOM 0 HB THR A 30 -5.779 -0.950 8.381 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.623 0.263 9.915 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.691 -1.969 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.970 -2.427 7.552 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.765 -1.180 7.951 1.00 0.00 H new ATOM 440 N TYR A 31 -3.630 -1.430 5.189 1.00 0.00 N ATOM 441 CA TYR A 31 -3.444 -2.586 4.273 1.00 0.00 C ATOM 442 C TYR A 31 -2.368 -3.485 4.877 1.00 0.00 C ATOM 443 O TYR A 31 -1.388 -3.009 5.419 1.00 0.00 O ATOM 444 CB TYR A 31 -3.034 -2.089 2.886 1.00 0.00 C ATOM 445 CG TYR A 31 -4.284 -1.743 2.108 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.984 -0.564 2.395 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.748 -2.604 1.106 1.00 0.00 C ATOM 448 CE1 TYR A 31 -6.147 -0.248 1.680 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.908 -2.287 0.391 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.608 -1.108 0.677 1.00 0.00 C ATOM 451 OH TYR A 31 -7.754 -0.796 -0.028 1.00 0.00 O ATOM 0 H TYR A 31 -2.789 -0.881 5.366 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.371 -3.148 4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.389 -1.215 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.463 -2.856 2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.627 0.101 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.210 -3.514 0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.688 0.660 1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.264 -2.952 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.851 0.178 -0.080 1.00 0.00 H new ATOM 461 N GLY A 32 -2.563 -4.776 4.833 1.00 0.00 N ATOM 462 CA GLY A 32 -1.575 -5.701 5.455 1.00 0.00 C ATOM 463 C GLY A 32 -0.150 -5.222 5.185 1.00 0.00 C ATOM 464 O GLY A 32 0.623 -5.015 6.099 1.00 0.00 O ATOM 0 H GLY A 32 -3.364 -5.229 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.748 -5.758 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.709 -6.707 5.056 1.00 0.00 H new ATOM 468 N ASN A 33 0.211 -5.038 3.947 1.00 0.00 N ATOM 469 CA ASN A 33 1.593 -4.564 3.660 1.00 0.00 C ATOM 470 C ASN A 33 1.616 -3.758 2.364 1.00 0.00 C ATOM 471 O ASN A 33 0.632 -3.180 1.966 1.00 0.00 O ATOM 472 CB ASN A 33 2.556 -5.756 3.569 1.00 0.00 C ATOM 473 CG ASN A 33 2.101 -6.737 2.488 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.177 -6.466 1.747 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.724 -7.880 2.371 1.00 0.00 N ATOM 0 H ASN A 33 -0.381 -5.193 3.131 1.00 0.00 H new ATOM 0 HA ASN A 33 1.919 -3.918 4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.562 -5.401 3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.605 -6.265 4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.435 -8.548 1.656 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.499 -8.104 2.995 1.00 0.00 H new ATOM 482 N LYS A 34 2.747 -3.690 1.724 1.00 0.00 N ATOM 483 CA LYS A 34 2.863 -2.900 0.476 1.00 0.00 C ATOM 484 C LYS A 34 2.140 -3.589 -0.681 1.00 0.00 C ATOM 485 O LYS A 34 1.529 -2.939 -1.499 1.00 0.00 O ATOM 486 CB LYS A 34 4.341 -2.749 0.133 1.00 0.00 C ATOM 487 CG LYS A 34 5.086 -4.057 0.420 1.00 0.00 C ATOM 488 CD LYS A 34 6.096 -4.327 -0.697 1.00 0.00 C ATOM 489 CE LYS A 34 5.360 -4.462 -2.031 1.00 0.00 C ATOM 490 NZ LYS A 34 5.843 -5.679 -2.746 1.00 0.00 N ATOM 0 H LYS A 34 3.606 -4.155 2.019 1.00 0.00 H new ATOM 0 HA LYS A 34 2.402 -1.924 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.453 -2.481 -0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.777 -1.938 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.598 -3.993 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.378 -4.883 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.821 -3.515 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.654 -5.239 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.286 -4.530 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.530 -3.576 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.501 -5.664 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.883 -5.694 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.483 -6.529 -2.267 1.00 0.00 H new ATOM 504 N CYS A 35 2.211 -4.885 -0.778 1.00 0.00 N ATOM 505 CA CYS A 35 1.526 -5.567 -1.904 1.00 0.00 C ATOM 506 C CYS A 35 0.015 -5.359 -1.789 1.00 0.00 C ATOM 507 O CYS A 35 -0.674 -5.221 -2.778 1.00 0.00 O ATOM 508 CB CYS A 35 1.850 -7.061 -1.872 1.00 0.00 C ATOM 509 SG CYS A 35 0.838 -7.924 -3.099 1.00 0.00 S ATOM 0 H CYS A 35 2.710 -5.496 -0.131 1.00 0.00 H new ATOM 0 HA CYS A 35 1.873 -5.146 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.908 -7.219 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.658 -7.464 -0.878 1.00 0.00 H new ATOM 514 N ASN A 36 -0.510 -5.328 -0.595 1.00 0.00 N ATOM 515 CA ASN A 36 -1.977 -5.120 -0.441 1.00 0.00 C ATOM 516 C ASN A 36 -2.293 -3.629 -0.607 1.00 0.00 C ATOM 517 O ASN A 36 -3.119 -3.244 -1.410 1.00 0.00 O ATOM 518 CB ASN A 36 -2.420 -5.589 0.948 1.00 0.00 C ATOM 519 CG ASN A 36 -2.667 -7.097 0.926 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.765 -7.543 0.660 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.683 -7.905 1.203 1.00 0.00 N ATOM 0 H ASN A 36 0.010 -5.437 0.276 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.510 -5.694 -1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.655 -5.346 1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.328 -5.066 1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.834 -8.914 1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.762 -7.529 1.426 1.00 0.00 H new ATOM 528 N PHE A 37 -1.631 -2.790 0.142 1.00 0.00 N ATOM 529 CA PHE A 37 -1.874 -1.322 0.031 1.00 0.00 C ATOM 530 C PHE A 37 -1.733 -0.898 -1.397 1.00 0.00 C ATOM 531 O PHE A 37 -2.358 0.029 -1.872 1.00 0.00 O ATOM 532 CB PHE A 37 -0.831 -0.563 0.829 1.00 0.00 C ATOM 533 CG PHE A 37 -1.259 0.864 0.890 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.383 1.253 1.604 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.533 1.792 0.155 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.788 2.586 1.586 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.920 3.127 0.129 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.054 3.537 0.843 1.00 0.00 C ATOM 0 H PHE A 37 -0.928 -3.059 0.830 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.875 -1.110 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.740 -0.978 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.148 -0.649 0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.943 0.525 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.338 1.475 -0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.663 2.892 2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.349 3.846 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.364 4.571 0.825 1.00 0.00 H new ATOM 548 N CYS A 38 -0.888 -1.570 -2.062 1.00 0.00 N ATOM 549 CA CYS A 38 -0.634 -1.231 -3.479 1.00 0.00 C ATOM 550 C CYS A 38 -1.791 -1.753 -4.325 1.00 0.00 C ATOM 551 O CYS A 38 -2.231 -1.105 -5.245 1.00 0.00 O ATOM 552 CB CYS A 38 0.671 -1.867 -3.947 1.00 0.00 C ATOM 553 SG CYS A 38 2.056 -0.759 -3.579 1.00 0.00 S ATOM 0 H CYS A 38 -0.346 -2.353 -1.697 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.552 -0.149 -3.585 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.818 -2.826 -3.450 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.626 -2.066 -5.018 1.00 0.00 H new ATOM 558 N ASN A 39 -2.295 -2.917 -4.019 1.00 0.00 N ATOM 559 CA ASN A 39 -3.433 -3.449 -4.818 1.00 0.00 C ATOM 560 C ASN A 39 -4.555 -2.414 -4.806 1.00 0.00 C ATOM 561 O ASN A 39 -5.262 -2.241 -5.774 1.00 0.00 O ATOM 562 CB ASN A 39 -3.947 -4.756 -4.203 1.00 0.00 C ATOM 563 CG ASN A 39 -2.865 -5.834 -4.251 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.760 -5.614 -4.897 1.00 0.00 O flip ATOM 565 ND2 ASN A 39 -3.033 -6.898 -3.688 1.00 0.00 N flip ATOM 0 H ASN A 39 -1.972 -3.516 -3.259 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.103 -3.646 -5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.251 -4.584 -3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.831 -5.096 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.899 -7.075 -3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.308 -7.614 -3.724 1.00 0.00 H new ATOM 572 N ALA A 40 -4.716 -1.715 -3.717 1.00 0.00 N ATOM 573 CA ALA A 40 -5.783 -0.681 -3.652 1.00 0.00 C ATOM 574 C ALA A 40 -5.393 0.474 -4.569 1.00 0.00 C ATOM 575 O ALA A 40 -6.166 0.926 -5.389 1.00 0.00 O ATOM 576 CB ALA A 40 -5.912 -0.170 -2.217 1.00 0.00 C ATOM 0 H ALA A 40 -4.155 -1.816 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.736 -1.106 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.694 0.588 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.169 -0.999 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.965 0.266 -1.899 1.00 0.00 H new ATOM 582 N VAL A 41 -4.186 0.946 -4.436 1.00 0.00 N ATOM 583 CA VAL A 41 -3.719 2.064 -5.298 1.00 0.00 C ATOM 584 C VAL A 41 -4.035 1.747 -6.759 1.00 0.00 C ATOM 585 O VAL A 41 -4.698 2.498 -7.445 1.00 0.00 O ATOM 586 CB VAL A 41 -2.205 2.208 -5.150 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.709 3.319 -6.079 1.00 0.00 C ATOM 588 CG2 VAL A 41 -1.856 2.542 -3.693 1.00 0.00 C ATOM 0 H VAL A 41 -3.500 0.603 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.220 2.985 -5.000 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.720 1.270 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.629 3.424 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.952 3.066 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.192 4.259 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.775 2.644 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.337 3.478 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.208 1.742 -3.042 1.00 0.00 H new ATOM 598 N VAL A 42 -3.539 0.643 -7.238 1.00 0.00 N ATOM 599 CA VAL A 42 -3.762 0.253 -8.643 1.00 0.00 C ATOM 600 C VAL A 42 -5.242 -0.079 -8.886 1.00 0.00 C ATOM 601 O VAL A 42 -5.717 -0.018 -10.003 1.00 0.00 O ATOM 602 CB VAL A 42 -2.877 -0.959 -8.947 1.00 0.00 C ATOM 603 CG1 VAL A 42 -3.109 -2.067 -7.918 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.203 -1.477 -10.336 1.00 0.00 C ATOM 0 H VAL A 42 -2.977 -0.015 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.502 1.079 -9.305 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.831 -0.656 -8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.471 -2.920 -8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.868 -1.695 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.154 -2.377 -7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.576 -2.340 -10.559 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.252 -1.770 -10.378 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.015 -0.693 -11.070 1.00 0.00 H new ATOM 614 N GLU A 43 -5.988 -0.407 -7.860 1.00 0.00 N ATOM 615 CA GLU A 43 -7.436 -0.709 -8.071 1.00 0.00 C ATOM 616 C GLU A 43 -8.243 0.576 -7.879 1.00 0.00 C ATOM 617 O GLU A 43 -9.455 0.582 -7.976 1.00 0.00 O ATOM 618 CB GLU A 43 -7.916 -1.763 -7.065 1.00 0.00 C ATOM 619 CG GLU A 43 -8.949 -2.674 -7.729 1.00 0.00 C ATOM 620 CD GLU A 43 -10.017 -3.063 -6.705 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.257 -2.278 -5.804 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.574 -4.140 -6.839 1.00 0.00 O ATOM 0 H GLU A 43 -5.661 -0.478 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.577 -1.097 -9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.071 -2.353 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.353 -1.276 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.409 -2.164 -8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.463 -3.567 -8.121 1.00 0.00 H new ATOM 629 N SER A 44 -7.580 1.663 -7.593 1.00 0.00 N ATOM 630 CA SER A 44 -8.304 2.945 -7.378 1.00 0.00 C ATOM 631 C SER A 44 -7.759 4.013 -8.330 1.00 0.00 C ATOM 632 O SER A 44 -8.289 5.100 -8.418 1.00 0.00 O ATOM 633 CB SER A 44 -8.097 3.395 -5.932 1.00 0.00 C ATOM 634 OG SER A 44 -8.977 4.471 -5.642 1.00 0.00 O ATOM 0 H SER A 44 -6.566 1.717 -7.499 1.00 0.00 H new ATOM 0 HA SER A 44 -9.367 2.803 -7.573 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.283 2.565 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.063 3.705 -5.781 1.00 0.00 H new ATOM 0 HG SER A 44 -9.061 5.046 -6.431 1.00 0.00 H new ATOM 640 N ASN A 45 -6.703 3.708 -9.036 1.00 0.00 N ATOM 641 CA ASN A 45 -6.112 4.696 -9.985 1.00 0.00 C ATOM 642 C ASN A 45 -5.189 5.656 -9.222 1.00 0.00 C ATOM 643 O ASN A 45 -4.603 6.553 -9.793 1.00 0.00 O ATOM 644 CB ASN A 45 -7.238 5.457 -10.720 1.00 0.00 C ATOM 645 CG ASN A 45 -7.467 6.854 -10.120 1.00 0.00 C ATOM 646 OD1 ASN A 45 -7.242 7.077 -8.950 1.00 0.00 O ATOM 647 ND2 ASN A 45 -7.913 7.810 -10.888 1.00 0.00 N ATOM 0 H ASN A 45 -6.221 2.810 -8.996 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.515 4.176 -10.735 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.984 5.552 -11.776 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.162 4.882 -10.665 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.071 8.741 -10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.103 7.626 -11.873 1.00 0.00 H new ATOM 654 N GLY A 46 -5.055 5.468 -7.938 1.00 0.00 N ATOM 655 CA GLY A 46 -4.170 6.362 -7.140 1.00 0.00 C ATOM 656 C GLY A 46 -5.013 7.377 -6.365 1.00 0.00 C ATOM 657 O GLY A 46 -4.494 8.293 -5.759 1.00 0.00 O ATOM 0 H GLY A 46 -5.521 4.733 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.571 5.771 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.475 6.882 -7.799 1.00 0.00 H new ATOM 661 N THR A 47 -6.308 7.210 -6.357 1.00 0.00 N ATOM 662 CA THR A 47 -7.173 8.160 -5.591 1.00 0.00 C ATOM 663 C THR A 47 -7.135 7.780 -4.108 1.00 0.00 C ATOM 664 O THR A 47 -7.612 8.501 -3.254 1.00 0.00 O ATOM 665 CB THR A 47 -8.613 8.085 -6.098 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.058 6.739 -6.073 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.668 8.615 -7.524 1.00 0.00 C ATOM 0 H THR A 47 -6.804 6.463 -6.843 1.00 0.00 H new ATOM 0 HA THR A 47 -6.803 9.176 -5.727 1.00 0.00 H new ATOM 0 HB THR A 47 -9.258 8.687 -5.458 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.480 6.214 -5.481 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.693 8.564 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.327 9.650 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.023 8.011 -8.162 1.00 0.00 H new ATOM 675 N LEU A 48 -6.562 6.649 -3.806 1.00 0.00 N ATOM 676 CA LEU A 48 -6.468 6.192 -2.391 1.00 0.00 C ATOM 677 C LEU A 48 -5.334 6.956 -1.706 1.00 0.00 C ATOM 678 O LEU A 48 -5.555 7.863 -0.929 1.00 0.00 O ATOM 679 CB LEU A 48 -6.188 4.675 -2.402 1.00 0.00 C ATOM 680 CG LEU A 48 -5.409 4.225 -1.157 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.173 4.614 0.103 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.250 2.705 -1.193 1.00 0.00 C ATOM 0 H LEU A 48 -6.149 6.013 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.392 6.382 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.132 4.132 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.622 4.417 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.431 4.707 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.614 4.291 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.301 5.696 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.151 4.133 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.698 2.376 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.234 2.236 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.705 2.417 -2.092 1.00 0.00 H new ATOM 694 N THR A 49 -4.127 6.591 -1.995 1.00 0.00 N ATOM 695 CA THR A 49 -2.960 7.263 -1.388 1.00 0.00 C ATOM 696 C THR A 49 -2.888 6.848 0.070 1.00 0.00 C ATOM 697 O THR A 49 -3.743 6.148 0.553 1.00 0.00 O ATOM 698 CB THR A 49 -3.119 8.780 -1.501 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.781 9.273 -0.346 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.929 9.130 -2.755 1.00 0.00 C ATOM 0 H THR A 49 -3.895 5.837 -2.642 1.00 0.00 H new ATOM 0 HA THR A 49 -2.043 6.978 -1.904 1.00 0.00 H new ATOM 0 HB THR A 49 -2.134 9.240 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.751 9.215 -0.475 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.038 10.212 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.411 8.757 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.915 8.670 -2.691 1.00 0.00 H new ATOM 708 N LEU A 50 -1.869 7.223 0.775 1.00 0.00 N ATOM 709 CA LEU A 50 -1.781 6.801 2.175 1.00 0.00 C ATOM 710 C LEU A 50 -1.620 8.023 3.081 1.00 0.00 C ATOM 711 O LEU A 50 -1.462 9.136 2.619 1.00 0.00 O ATOM 712 CB LEU A 50 -0.631 5.788 2.256 1.00 0.00 C ATOM 713 CG LEU A 50 0.502 6.223 3.180 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.885 5.021 4.015 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.701 6.663 2.335 1.00 0.00 C ATOM 0 H LEU A 50 -1.099 7.801 0.438 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.689 6.313 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.024 4.832 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.230 5.625 1.255 1.00 0.00 H new ATOM 0 HG LEU A 50 0.194 7.054 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.696 5.291 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.023 4.691 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.213 4.213 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.514 6.975 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.034 5.831 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.410 7.497 1.697 1.00 0.00 H new ATOM 727 N SER A 51 -1.690 7.824 4.369 1.00 0.00 N ATOM 728 CA SER A 51 -1.578 8.958 5.309 1.00 0.00 C ATOM 729 C SER A 51 -0.336 8.760 6.174 1.00 0.00 C ATOM 730 O SER A 51 0.205 9.695 6.731 1.00 0.00 O ATOM 731 CB SER A 51 -2.827 8.990 6.196 1.00 0.00 C ATOM 732 OG SER A 51 -3.506 10.224 6.017 1.00 0.00 O ATOM 0 H SER A 51 -1.821 6.912 4.807 1.00 0.00 H new ATOM 0 HA SER A 51 -1.495 9.898 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.487 8.160 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.546 8.866 7.242 1.00 0.00 H new ATOM 0 HG SER A 51 -4.306 10.243 6.583 1.00 0.00 H new ATOM 738 N HIS A 52 0.121 7.544 6.286 1.00 0.00 N ATOM 739 CA HIS A 52 1.333 7.278 7.114 1.00 0.00 C ATOM 740 C HIS A 52 1.696 5.794 7.024 1.00 0.00 C ATOM 741 O HIS A 52 0.836 4.939 6.965 1.00 0.00 O ATOM 742 CB HIS A 52 1.050 7.656 8.572 1.00 0.00 C ATOM 743 CG HIS A 52 -0.019 6.757 9.133 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.198 5.948 10.239 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.319 6.528 8.753 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.943 5.277 10.481 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.899 5.595 9.606 1.00 0.00 N ATOM 0 H HIS A 52 -0.291 6.723 5.841 1.00 0.00 H new ATOM 0 HA HIS A 52 2.166 7.875 6.744 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.961 7.567 9.164 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.732 8.697 8.632 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.815 7.001 7.918 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.070 4.568 11.285 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.851 5.232 9.570 1.00 0.00 H new ATOM 755 N PHE A 53 2.964 5.479 7.003 1.00 0.00 N ATOM 756 CA PHE A 53 3.369 4.049 6.907 1.00 0.00 C ATOM 757 C PHE A 53 3.089 3.341 8.231 1.00 0.00 C ATOM 758 O PHE A 53 3.701 3.616 9.245 1.00 0.00 O ATOM 759 CB PHE A 53 4.857 3.953 6.581 1.00 0.00 C ATOM 760 CG PHE A 53 5.075 4.321 5.133 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.914 5.648 4.718 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.433 3.336 4.205 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.113 5.991 3.376 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.631 3.679 2.861 1.00 0.00 C ATOM 765 CZ PHE A 53 5.471 5.006 2.447 1.00 0.00 C ATOM 0 H PHE A 53 3.733 6.148 7.048 1.00 0.00 H new ATOM 0 HA PHE A 53 2.795 3.570 6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.427 4.621 7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.218 2.942 6.770 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.636 6.407 5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.557 2.312 4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.991 7.015 3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.907 2.919 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.624 5.271 1.411 1.00 0.00 H new ATOM 775 N GLY A 54 2.159 2.432 8.222 1.00 0.00 N ATOM 776 CA GLY A 54 1.806 1.691 9.449 1.00 0.00 C ATOM 777 C GLY A 54 0.330 1.318 9.372 1.00 0.00 C ATOM 778 O GLY A 54 -0.343 1.587 8.397 1.00 0.00 O ATOM 0 H GLY A 54 1.621 2.170 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.420 0.795 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.998 2.302 10.331 1.00 0.00 H new ATOM 782 N LYS A 55 -0.174 0.714 10.396 1.00 0.00 N ATOM 783 CA LYS A 55 -1.615 0.326 10.402 1.00 0.00 C ATOM 784 C LYS A 55 -2.441 1.484 10.963 1.00 0.00 C ATOM 785 O LYS A 55 -2.487 1.702 12.157 1.00 0.00 O ATOM 786 CB LYS A 55 -1.845 -0.932 11.261 1.00 0.00 C ATOM 787 CG LYS A 55 -0.608 -1.244 12.109 1.00 0.00 C ATOM 788 CD LYS A 55 -0.910 -2.410 13.051 1.00 0.00 C ATOM 789 CE LYS A 55 0.405 -2.992 13.571 1.00 0.00 C ATOM 790 NZ LYS A 55 0.887 -2.181 14.725 1.00 0.00 N ATOM 0 H LYS A 55 0.345 0.467 11.239 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.922 0.103 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.708 -0.782 11.910 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.074 -1.781 10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.234 -1.494 11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.318 -0.365 12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.525 -2.070 13.884 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.479 -3.178 12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.260 -4.028 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.152 -2.995 12.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.781 -2.577 15.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.040 -1.199 14.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.176 -2.200 15.484 1.00 0.00 H new ATOM 804 N CYS A 56 -3.087 2.230 10.104 1.00 0.00 N ATOM 805 CA CYS A 56 -3.909 3.381 10.574 1.00 0.00 C ATOM 806 C CYS A 56 -4.660 2.991 11.848 1.00 0.00 C ATOM 807 O CYS A 56 -4.582 3.734 12.812 1.00 0.00 O ATOM 808 CB CYS A 56 -4.918 3.763 9.490 1.00 0.00 C ATOM 809 SG CYS A 56 -4.729 5.515 9.078 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.299 1.951 11.839 1.00 0.00 O ATOM 0 H CYS A 56 -3.079 2.089 9.094 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.256 4.228 10.782 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.762 3.151 8.602 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.932 3.568 9.838 1.00 0.00 H new TER 815 CYS A 56