USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 1 GLY N :NH3+ 148:sc= 1.47 (180deg=0.164) USER MOD Set 1.2: A 5 GLN : amide:sc= 0.688 K(o=1.7,f=-3.9) USER MOD Set 1.3: A 19 TYR OH : rot 165:sc= -0.472 USER MOD Single : A 8 THR OG1 : rot -76:sc= 1.03 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -100:sc= 0.0261 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.667 K(o=0.67,f=-5.3!) USER MOD Single : A 18 ASN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 21 ASN : amide:sc= 1.61 K(o=1.6,f=-5.3!) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.0981 (180deg=0.00139) USER MOD Single : B 3 ASN : amide:sc= 0.695 K(o=0.7,f=0) USER MOD Single : B 4 GLN : amide:sc= 0.452 X(o=0.45,f=-0.04) USER MOD Single : B 5 HIS : no HE2:sc= 0.628 K(o=0.63,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 97:sc= 1.23 USER MOD Single : B 29 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1.1) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.788 8.181 -0.416 1.00 0.00 N ATOM 2 CA GLY A 1 -1.632 7.306 -1.598 1.00 0.00 C ATOM 3 C GLY A 1 -2.690 7.596 -2.653 1.00 0.00 C ATOM 4 O GLY A 1 -3.706 8.218 -2.365 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.483 7.670 0.437 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.205 9.034 -0.536 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.786 8.455 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.640 7.447 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.700 6.262 -1.291 1.00 0.00 H new ATOM 10 N ILE A 2 -2.539 7.172 -3.906 1.00 0.00 N ATOM 11 CA ILE A 2 -1.456 6.346 -4.475 1.00 0.00 C ATOM 12 C ILE A 2 -1.305 6.501 -5.999 1.00 0.00 C ATOM 13 O ILE A 2 -0.174 6.666 -6.442 1.00 0.00 O ATOM 14 CB ILE A 2 -1.616 4.863 -4.028 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.353 4.004 -4.257 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.823 4.147 -4.662 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.862 4.448 -3.432 1.00 0.00 C ATOM 0 H ILE A 2 -3.228 7.415 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.515 6.718 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.789 4.950 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.583 2.966 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.092 4.035 -5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.867 3.119 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.740 4.667 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.717 4.147 -5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.707 3.795 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.121 5.475 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.622 4.390 -2.370 1.00 0.00 H new ATOM 29 N VAL A 3 -2.382 6.522 -6.799 1.00 0.00 N ATOM 30 CA VAL A 3 -2.275 6.448 -8.280 1.00 0.00 C ATOM 31 C VAL A 3 -1.534 7.650 -8.886 1.00 0.00 C ATOM 32 O VAL A 3 -0.600 7.468 -9.662 1.00 0.00 O ATOM 33 CB VAL A 3 -3.648 6.302 -8.980 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.495 6.131 -10.504 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.450 5.108 -8.449 1.00 0.00 C ATOM 0 H VAL A 3 -3.340 6.589 -6.454 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.692 5.545 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.185 7.224 -8.759 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.480 6.032 -10.960 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.989 7.003 -10.919 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.907 5.237 -10.713 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.405 5.049 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.888 4.189 -8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.629 5.236 -7.381 1.00 0.00 H new ATOM 45 N GLU A 4 -1.942 8.874 -8.535 1.00 0.00 N ATOM 46 CA GLU A 4 -1.296 10.108 -9.005 1.00 0.00 C ATOM 47 C GLU A 4 -0.082 10.470 -8.141 1.00 0.00 C ATOM 48 O GLU A 4 0.898 11.010 -8.653 1.00 0.00 O ATOM 49 CB GLU A 4 -2.302 11.272 -9.010 1.00 0.00 C ATOM 50 CG GLU A 4 -3.384 11.122 -10.087 1.00 0.00 C ATOM 51 CD GLU A 4 -4.319 12.343 -10.124 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.829 13.487 -10.289 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.552 12.171 -9.987 1.00 0.00 O ATOM 0 H GLU A 4 -2.734 9.039 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.947 9.931 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.777 11.339 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.766 12.208 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.913 10.994 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.968 10.222 -9.894 1.00 0.00 H new ATOM 60 N GLN A 5 -0.105 10.150 -6.844 1.00 0.00 N ATOM 61 CA GLN A 5 1.001 10.441 -5.928 1.00 0.00 C ATOM 62 C GLN A 5 2.267 9.644 -6.279 1.00 0.00 C ATOM 63 O GLN A 5 3.363 10.196 -6.257 1.00 0.00 O ATOM 64 CB GLN A 5 0.525 10.173 -4.496 1.00 0.00 C ATOM 65 CG GLN A 5 1.533 10.645 -3.431 1.00 0.00 C ATOM 66 CD GLN A 5 0.983 10.539 -2.007 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.094 10.012 -1.749 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.695 11.041 -1.021 1.00 0.00 N ATOM 0 H GLN A 5 -0.893 9.681 -6.399 1.00 0.00 H new ATOM 0 HA GLN A 5 1.285 11.489 -6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.428 10.677 -4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.346 9.105 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.443 10.050 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.810 11.680 -3.633 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.593 11.483 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.349 10.988 -0.063 1.00 0.00 H new ATOM 77 N CYS A 6 2.136 8.369 -6.659 1.00 0.00 N ATOM 78 CA CYS A 6 3.255 7.537 -7.123 1.00 0.00 C ATOM 79 C CYS A 6 3.687 7.844 -8.568 1.00 0.00 C ATOM 80 O CYS A 6 4.779 7.467 -8.997 1.00 0.00 O ATOM 81 CB CYS A 6 2.822 6.082 -6.982 1.00 0.00 C ATOM 82 SG CYS A 6 4.156 4.877 -7.113 1.00 0.00 S ATOM 0 H CYS A 6 1.241 7.879 -6.654 1.00 0.00 H new ATOM 0 HA CYS A 6 4.133 7.754 -6.514 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.332 5.956 -6.017 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.078 5.864 -7.748 1.00 0.00 H new ATOM 87 N CYS A 7 2.833 8.548 -9.321 1.00 0.00 N ATOM 88 CA CYS A 7 3.121 9.040 -10.675 1.00 0.00 C ATOM 89 C CYS A 7 3.922 10.355 -10.656 1.00 0.00 C ATOM 90 O CYS A 7 4.847 10.526 -11.457 1.00 0.00 O ATOM 91 CB CYS A 7 1.786 9.202 -11.407 1.00 0.00 C ATOM 92 SG CYS A 7 1.909 9.545 -13.182 1.00 0.00 S ATOM 0 H CYS A 7 1.898 8.798 -8.998 1.00 0.00 H new ATOM 0 HA CYS A 7 3.751 8.321 -11.199 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.203 8.291 -11.270 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.228 10.011 -10.936 1.00 0.00 H new ATOM 97 N THR A 8 3.587 11.268 -9.731 1.00 0.00 N ATOM 98 CA THR A 8 4.227 12.585 -9.540 1.00 0.00 C ATOM 99 C THR A 8 5.458 12.499 -8.641 1.00 0.00 C ATOM 100 O THR A 8 6.525 12.975 -9.022 1.00 0.00 O ATOM 101 CB THR A 8 3.227 13.620 -8.998 1.00 0.00 C ATOM 102 OG1 THR A 8 2.541 13.123 -7.868 1.00 0.00 O ATOM 103 CG2 THR A 8 2.192 14.006 -10.059 1.00 0.00 C ATOM 0 H THR A 8 2.831 11.105 -9.066 1.00 0.00 H new ATOM 0 HA THR A 8 4.563 12.918 -10.522 1.00 0.00 H new ATOM 0 HB THR A 8 3.808 14.499 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.858 12.482 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.501 14.739 -9.643 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.699 14.435 -10.923 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.638 13.119 -10.367 1.00 0.00 H new ATOM 111 N SER A 9 5.334 11.855 -7.486 1.00 0.00 N ATOM 112 CA SER A 9 6.446 11.419 -6.624 1.00 0.00 C ATOM 113 C SER A 9 6.757 9.930 -6.890 1.00 0.00 C ATOM 114 O SER A 9 6.771 9.509 -8.048 1.00 0.00 O ATOM 115 CB SER A 9 6.132 11.738 -5.145 1.00 0.00 C ATOM 116 OG SER A 9 5.964 13.136 -4.933 1.00 0.00 O ATOM 0 H SER A 9 4.422 11.608 -7.102 1.00 0.00 H new ATOM 0 HA SER A 9 7.354 11.973 -6.863 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.226 11.213 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.940 11.368 -4.513 1.00 0.00 H new ATOM 0 HG SER A 9 5.765 13.302 -3.988 1.00 0.00 H new ATOM 122 N ILE A 10 7.033 9.120 -5.861 1.00 0.00 N ATOM 123 CA ILE A 10 7.394 7.694 -5.965 1.00 0.00 C ATOM 124 C ILE A 10 6.656 6.845 -4.919 1.00 0.00 C ATOM 125 O ILE A 10 6.206 7.357 -3.891 1.00 0.00 O ATOM 126 CB ILE A 10 8.928 7.494 -5.833 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.503 8.042 -4.505 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.652 8.076 -7.057 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.008 7.810 -4.330 1.00 0.00 C ATOM 0 H ILE A 10 7.011 9.448 -4.896 1.00 0.00 H new ATOM 0 HA ILE A 10 7.083 7.357 -6.954 1.00 0.00 H new ATOM 0 HB ILE A 10 9.109 6.420 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.303 9.112 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.975 7.575 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.726 7.928 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.305 7.572 -7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.439 9.142 -7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.331 8.223 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.216 6.740 -4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.548 8.301 -5.139 1.00 0.00 H new ATOM 141 N CYS A 11 6.590 5.531 -5.148 1.00 0.00 N ATOM 142 CA CYS A 11 6.106 4.534 -4.180 1.00 0.00 C ATOM 143 C CYS A 11 6.696 3.144 -4.441 1.00 0.00 C ATOM 144 O CYS A 11 7.169 2.841 -5.536 1.00 0.00 O ATOM 145 CB CYS A 11 4.573 4.455 -4.155 1.00 0.00 C ATOM 146 SG CYS A 11 3.793 3.622 -5.564 1.00 0.00 S ATOM 0 H CYS A 11 6.879 5.117 -6.034 1.00 0.00 H new ATOM 0 HA CYS A 11 6.449 4.872 -3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.271 3.941 -3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.178 5.469 -4.095 1.00 0.00 H new ATOM 151 N SER A 12 6.683 2.290 -3.425 1.00 0.00 N ATOM 152 CA SER A 12 7.150 0.903 -3.511 1.00 0.00 C ATOM 153 C SER A 12 5.983 -0.096 -3.520 1.00 0.00 C ATOM 154 O SER A 12 4.856 0.229 -3.140 1.00 0.00 O ATOM 155 CB SER A 12 8.104 0.603 -2.352 1.00 0.00 C ATOM 156 OG SER A 12 8.968 -0.457 -2.713 1.00 0.00 O ATOM 0 H SER A 12 6.342 2.543 -2.498 1.00 0.00 H new ATOM 0 HA SER A 12 7.681 0.787 -4.456 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.685 1.492 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.537 0.336 -1.460 1.00 0.00 H new ATOM 0 HG SER A 12 8.641 -1.293 -2.321 1.00 0.00 H new ATOM 162 N LEU A 13 6.257 -1.350 -3.889 1.00 0.00 N ATOM 163 CA LEU A 13 5.289 -2.443 -3.922 1.00 0.00 C ATOM 164 C LEU A 13 4.686 -2.702 -2.530 1.00 0.00 C ATOM 165 O LEU A 13 3.503 -3.010 -2.404 1.00 0.00 O ATOM 166 CB LEU A 13 6.018 -3.682 -4.458 1.00 0.00 C ATOM 167 CG LEU A 13 6.647 -3.603 -5.873 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.628 -3.206 -6.948 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.908 -2.732 -6.007 1.00 0.00 C ATOM 0 H LEU A 13 7.190 -1.639 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 13 4.451 -2.188 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.811 -3.933 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.312 -4.513 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 13 6.979 -4.628 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.121 -3.166 -7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.826 -3.943 -6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.212 -2.227 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.257 -2.753 -7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.673 -1.706 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.689 -3.119 -5.352 1.00 0.00 H new ATOM 181 N TYR A 14 5.471 -2.482 -1.472 1.00 0.00 N ATOM 182 CA TYR A 14 5.021 -2.531 -0.079 1.00 0.00 C ATOM 183 C TYR A 14 3.971 -1.453 0.265 1.00 0.00 C ATOM 184 O TYR A 14 3.138 -1.651 1.150 1.00 0.00 O ATOM 185 CB TYR A 14 6.264 -2.393 0.815 1.00 0.00 C ATOM 186 CG TYR A 14 5.989 -2.515 2.302 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.714 -3.777 2.863 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.996 -1.372 3.122 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.444 -3.895 4.243 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.735 -1.482 4.501 1.00 0.00 C ATOM 191 CZ TYR A 14 5.456 -2.747 5.069 1.00 0.00 C ATOM 192 OH TYR A 14 5.195 -2.854 6.401 1.00 0.00 O ATOM 0 H TYR A 14 6.462 -2.259 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 14 4.517 -3.482 0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.988 -3.156 0.529 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.728 -1.426 0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.710 -4.656 2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.203 -0.404 2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.228 -4.864 4.669 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.748 -0.601 5.125 1.00 0.00 H new ATOM 0 HH TYR A 14 5.246 -1.968 6.817 1.00 0.00 H new ATOM 202 N GLN A 15 3.975 -0.325 -0.451 1.00 0.00 N ATOM 203 CA GLN A 15 2.988 0.751 -0.312 1.00 0.00 C ATOM 204 C GLN A 15 1.769 0.504 -1.210 1.00 0.00 C ATOM 205 O GLN A 15 0.659 0.837 -0.805 1.00 0.00 O ATOM 206 CB GLN A 15 3.633 2.106 -0.625 1.00 0.00 C ATOM 207 CG GLN A 15 4.746 2.473 0.374 1.00 0.00 C ATOM 208 CD GLN A 15 5.485 3.732 -0.064 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.270 3.712 -1.002 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.247 4.870 0.551 1.00 0.00 N ATOM 0 H GLN A 15 4.681 -0.129 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 15 2.639 0.764 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.047 2.084 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.867 2.881 -0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.315 2.627 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.450 1.645 0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.594 4.900 1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.715 5.723 0.244 1.00 0.00 H new ATOM 219 N LEU A 16 1.932 -0.138 -2.378 1.00 0.00 N ATOM 220 CA LEU A 16 0.799 -0.677 -3.148 1.00 0.00 C ATOM 221 C LEU A 16 0.012 -1.713 -2.327 1.00 0.00 C ATOM 222 O LEU A 16 -1.217 -1.717 -2.361 1.00 0.00 O ATOM 223 CB LEU A 16 1.277 -1.293 -4.479 1.00 0.00 C ATOM 224 CG LEU A 16 1.994 -0.341 -5.460 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.308 -1.099 -6.757 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.160 0.904 -5.795 1.00 0.00 C ATOM 0 H LEU A 16 2.842 -0.297 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 16 0.131 0.154 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.951 -2.118 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.412 -1.719 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 16 2.908 0.000 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.815 -0.432 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.953 -1.949 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.380 -1.455 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.714 1.537 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.219 0.599 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.954 1.461 -4.881 1.00 0.00 H new ATOM 238 N GLU A 17 0.701 -2.549 -1.541 1.00 0.00 N ATOM 239 CA GLU A 17 0.087 -3.580 -0.692 1.00 0.00 C ATOM 240 C GLU A 17 -0.927 -3.022 0.336 1.00 0.00 C ATOM 241 O GLU A 17 -1.874 -3.715 0.711 1.00 0.00 O ATOM 242 CB GLU A 17 1.200 -4.389 0.004 1.00 0.00 C ATOM 243 CG GLU A 17 0.710 -5.732 0.548 1.00 0.00 C ATOM 244 CD GLU A 17 1.860 -6.505 1.215 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.576 -7.263 0.520 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.046 -6.366 2.446 1.00 0.00 O ATOM 0 H GLU A 17 1.719 -2.529 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.499 -4.230 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.011 -4.563 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.612 -3.800 0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.090 -5.567 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.289 -6.326 -0.263 1.00 0.00 H new ATOM 253 N ASN A 18 -0.794 -1.754 0.747 1.00 0.00 N ATOM 254 CA ASN A 18 -1.757 -1.070 1.618 1.00 0.00 C ATOM 255 C ASN A 18 -3.173 -0.971 1.002 1.00 0.00 C ATOM 256 O ASN A 18 -4.165 -0.888 1.728 1.00 0.00 O ATOM 257 CB ASN A 18 -1.201 0.327 1.937 1.00 0.00 C ATOM 258 CG ASN A 18 -2.093 1.111 2.895 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.168 0.820 4.082 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.797 2.122 2.407 1.00 0.00 N ATOM 0 H ASN A 18 -0.004 -1.167 0.480 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.876 -1.658 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.207 0.227 2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.088 0.889 1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.406 2.663 3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.730 2.359 1.417 1.00 0.00 H new ATOM 267 N TYR A 19 -3.273 -0.982 -0.333 1.00 0.00 N ATOM 268 CA TYR A 19 -4.509 -0.802 -1.101 1.00 0.00 C ATOM 269 C TYR A 19 -5.134 -2.117 -1.616 1.00 0.00 C ATOM 270 O TYR A 19 -6.142 -2.093 -2.326 1.00 0.00 O ATOM 271 CB TYR A 19 -4.209 0.199 -2.223 1.00 0.00 C ATOM 272 CG TYR A 19 -3.919 1.585 -1.675 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.987 2.418 -1.295 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.595 1.996 -1.439 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.739 3.655 -0.675 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.335 3.229 -0.814 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.411 4.060 -0.423 1.00 0.00 C ATOM 278 OH TYR A 19 -3.171 5.237 0.217 1.00 0.00 O ATOM 0 H TYR A 19 -2.459 -1.123 -0.932 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.282 -0.410 -0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.354 -0.149 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.058 0.247 -2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.004 2.105 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.774 1.362 -1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.563 4.294 -0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.317 3.540 -0.633 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.241 5.258 0.525 1.00 0.00 H new ATOM 288 N CYS A 20 -4.576 -3.273 -1.240 1.00 0.00 N ATOM 289 CA CYS A 20 -5.213 -4.586 -1.440 1.00 0.00 C ATOM 290 C CYS A 20 -6.514 -4.769 -0.635 1.00 0.00 C ATOM 291 O CYS A 20 -6.743 -4.081 0.367 1.00 0.00 O ATOM 292 CB CYS A 20 -4.218 -5.705 -1.093 1.00 0.00 C ATOM 293 SG CYS A 20 -2.671 -5.708 -2.033 1.00 0.00 S ATOM 0 H CYS A 20 -3.665 -3.328 -0.785 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.493 -4.639 -2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.976 -5.633 -0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.713 -6.664 -1.243 1.00 0.00 H new ATOM 298 N ASN A 21 -7.332 -5.739 -1.063 1.00 0.00 N ATOM 299 CA ASN A 21 -8.584 -6.207 -0.438 1.00 0.00 C ATOM 300 C ASN A 21 -9.704 -5.133 -0.498 1.00 0.00 C ATOM 301 O ASN A 21 -9.952 -4.605 -1.607 1.00 0.00 O ATOM 302 CB ASN A 21 -8.256 -6.758 0.976 1.00 0.00 C ATOM 303 CG ASN A 21 -9.264 -7.768 1.513 1.00 0.00 C ATOM 304 OD1 ASN A 21 -8.948 -8.928 1.750 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.492 -7.363 1.703 1.00 0.00 N ATOM 306 OXT ASN A 21 -10.358 -4.846 0.536 1.00 0.00 O ATOM 0 H ASN A 21 -7.125 -6.257 -1.917 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.012 -7.034 -1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.272 -7.225 0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.193 -5.922 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.196 -8.014 2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.747 -6.396 1.503 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.713 -3.829 -6.735 1.00 0.00 N ATOM 315 CA PHE B 1 12.096 -2.972 -5.583 1.00 0.00 C ATOM 316 C PHE B 1 13.274 -2.058 -5.953 1.00 0.00 C ATOM 317 O PHE B 1 14.090 -2.417 -6.799 1.00 0.00 O ATOM 318 CB PHE B 1 12.409 -3.821 -4.334 1.00 0.00 C ATOM 319 CG PHE B 1 11.194 -4.524 -3.749 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.305 -3.810 -2.920 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.937 -5.880 -4.038 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.171 -4.444 -2.385 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.797 -6.510 -3.509 1.00 0.00 C ATOM 324 CZ PHE B 1 8.915 -5.794 -2.684 1.00 0.00 C ATOM 0 H1 PHE B 1 11.388 -4.754 -6.387 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.947 -3.371 -7.269 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.536 -3.963 -7.357 1.00 0.00 H new ATOM 0 HA PHE B 1 11.246 -2.336 -5.337 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.160 -4.568 -4.593 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.848 -3.179 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.496 -2.771 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.617 -6.436 -4.667 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.497 -3.895 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.599 -7.547 -3.738 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.040 -6.280 -2.279 1.00 0.00 H new ATOM 336 N VAL B 2 13.420 -0.861 -5.380 1.00 0.00 N ATOM 337 CA VAL B 2 12.613 -0.231 -4.311 1.00 0.00 C ATOM 338 C VAL B 2 12.200 1.197 -4.716 1.00 0.00 C ATOM 339 O VAL B 2 12.934 1.853 -5.450 1.00 0.00 O ATOM 340 CB VAL B 2 13.388 -0.241 -2.965 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.580 0.732 -2.919 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.461 -0.010 -1.761 1.00 0.00 C ATOM 0 H VAL B 2 14.176 -0.243 -5.675 1.00 0.00 H new ATOM 0 HA VAL B 2 11.701 -0.812 -4.172 1.00 0.00 H new ATOM 0 HB VAL B 2 13.805 -1.246 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.068 0.664 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.293 0.471 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.225 1.750 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.047 -0.025 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.969 0.957 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.709 -0.798 -1.725 1.00 0.00 H new ATOM 352 N ASN B 3 11.026 1.650 -4.251 1.00 0.00 N ATOM 353 CA ASN B 3 10.409 2.975 -4.436 1.00 0.00 C ATOM 354 C ASN B 3 10.654 3.657 -5.795 1.00 0.00 C ATOM 355 O ASN B 3 11.670 4.307 -6.034 1.00 0.00 O ATOM 356 CB ASN B 3 10.630 3.893 -3.220 1.00 0.00 C ATOM 357 CG ASN B 3 12.069 4.027 -2.720 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.371 3.727 -1.572 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.999 4.493 -3.533 1.00 0.00 N ATOM 0 H ASN B 3 10.430 1.046 -3.685 1.00 0.00 H new ATOM 0 HA ASN B 3 9.340 2.768 -4.485 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.262 4.888 -3.472 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.016 3.525 -2.398 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.958 4.600 -3.203 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.758 4.746 -4.491 1.00 0.00 H new ATOM 366 N GLN B 4 9.689 3.484 -6.695 1.00 0.00 N ATOM 367 CA GLN B 4 9.789 3.820 -8.114 1.00 0.00 C ATOM 368 C GLN B 4 8.679 4.795 -8.539 1.00 0.00 C ATOM 369 O GLN B 4 7.715 5.014 -7.806 1.00 0.00 O ATOM 370 CB GLN B 4 9.714 2.511 -8.925 1.00 0.00 C ATOM 371 CG GLN B 4 10.923 1.576 -8.716 1.00 0.00 C ATOM 372 CD GLN B 4 12.241 2.180 -9.214 1.00 0.00 C ATOM 373 OE1 GLN B 4 12.491 2.276 -10.408 1.00 0.00 O ATOM 374 NE2 GLN B 4 13.119 2.630 -8.339 1.00 0.00 N ATOM 0 H GLN B 4 8.781 3.091 -6.447 1.00 0.00 H new ATOM 0 HA GLN B 4 10.737 4.323 -8.304 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.803 1.978 -8.652 1.00 0.00 H new ATOM 0 HB3 GLN B 4 9.635 2.755 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.015 1.342 -7.655 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.742 0.635 -9.236 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.926 2.558 -7.340 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.991 3.050 -8.661 1.00 0.00 H new ATOM 383 N HIS B 5 8.781 5.368 -9.740 1.00 0.00 N ATOM 384 CA HIS B 5 7.664 6.064 -10.380 1.00 0.00 C ATOM 385 C HIS B 5 6.772 5.025 -11.078 1.00 0.00 C ATOM 386 O HIS B 5 7.253 4.246 -11.909 1.00 0.00 O ATOM 387 CB HIS B 5 8.156 7.088 -11.415 1.00 0.00 C ATOM 388 CG HIS B 5 9.037 8.191 -10.893 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.648 9.264 -10.125 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.366 8.354 -11.170 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.723 10.047 -9.935 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.803 9.537 -10.554 1.00 0.00 N ATOM 0 H HIS B 5 9.637 5.363 -10.294 1.00 0.00 H new ATOM 0 HA HIS B 5 7.106 6.602 -9.614 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.701 6.554 -12.193 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.285 7.541 -11.889 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.710 9.435 -9.764 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.975 7.687 -11.762 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.720 10.963 -9.362 1.00 0.00 H new ATOM 400 N LEU B 6 5.479 5.028 -10.762 1.00 0.00 N ATOM 401 CA LEU B 6 4.472 4.116 -11.311 1.00 0.00 C ATOM 402 C LEU B 6 3.170 4.903 -11.503 1.00 0.00 C ATOM 403 O LEU B 6 2.788 5.690 -10.642 1.00 0.00 O ATOM 404 CB LEU B 6 4.265 2.931 -10.343 1.00 0.00 C ATOM 405 CG LEU B 6 5.457 1.972 -10.136 1.00 0.00 C ATOM 406 CD1 LEU B 6 5.134 0.997 -8.994 1.00 0.00 C ATOM 407 CD2 LEU B 6 5.767 1.174 -11.411 1.00 0.00 C ATOM 0 H LEU B 6 5.087 5.689 -10.092 1.00 0.00 H new ATOM 0 HA LEU B 6 4.796 3.713 -12.271 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.983 3.335 -9.370 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.419 2.345 -10.702 1.00 0.00 H new ATOM 0 HG LEU B 6 6.333 2.571 -9.888 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.974 0.319 -8.846 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.954 1.558 -8.077 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.244 0.422 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU B 6 6.612 0.510 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.895 0.584 -11.692 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.015 1.862 -12.219 1.00 0.00 H new ATOM 419 N CYS B 7 2.487 4.706 -12.632 1.00 0.00 N ATOM 420 CA CYS B 7 1.327 5.514 -13.022 1.00 0.00 C ATOM 421 C CYS B 7 0.245 4.696 -13.734 1.00 0.00 C ATOM 422 O CYS B 7 0.536 3.695 -14.396 1.00 0.00 O ATOM 423 CB CYS B 7 1.810 6.645 -13.937 1.00 0.00 C ATOM 424 SG CYS B 7 0.731 8.098 -14.003 1.00 0.00 S ATOM 0 H CYS B 7 2.723 3.978 -13.306 1.00 0.00 H new ATOM 0 HA CYS B 7 0.871 5.910 -12.115 1.00 0.00 H new ATOM 0 HB2 CYS B 7 2.799 6.962 -13.606 1.00 0.00 H new ATOM 0 HB3 CYS B 7 1.923 6.250 -14.947 1.00 0.00 H new ATOM 429 N GLY B 8 -1.000 5.150 -13.600 1.00 0.00 N ATOM 430 CA GLY B 8 -2.177 4.671 -14.336 1.00 0.00 C ATOM 431 C GLY B 8 -2.301 3.149 -14.406 1.00 0.00 C ATOM 432 O GLY B 8 -2.214 2.446 -13.398 1.00 0.00 O ATOM 0 H GLY B 8 -1.230 5.897 -12.945 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.074 5.075 -13.866 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.142 5.068 -15.351 1.00 0.00 H new ATOM 436 N SER B 9 -2.482 2.635 -15.621 1.00 0.00 N ATOM 437 CA SER B 9 -2.654 1.203 -15.909 1.00 0.00 C ATOM 438 C SER B 9 -1.456 0.364 -15.453 1.00 0.00 C ATOM 439 O SER B 9 -1.632 -0.764 -15.001 1.00 0.00 O ATOM 440 CB SER B 9 -2.862 1.000 -17.417 1.00 0.00 C ATOM 441 OG SER B 9 -3.936 1.801 -17.896 1.00 0.00 O ATOM 0 H SER B 9 -2.515 3.215 -16.459 1.00 0.00 H new ATOM 0 HA SER B 9 -3.527 0.867 -15.350 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.947 1.255 -17.952 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.068 -0.051 -17.621 1.00 0.00 H new ATOM 0 HG SER B 9 -4.048 1.656 -18.859 1.00 0.00 H new ATOM 447 N HIS B 10 -0.235 0.904 -15.504 1.00 0.00 N ATOM 448 CA HIS B 10 0.978 0.208 -15.066 1.00 0.00 C ATOM 449 C HIS B 10 1.028 0.073 -13.532 1.00 0.00 C ATOM 450 O HIS B 10 1.369 -0.995 -13.019 1.00 0.00 O ATOM 451 CB HIS B 10 2.199 0.960 -15.616 1.00 0.00 C ATOM 452 CG HIS B 10 2.224 1.057 -17.123 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.504 0.035 -18.004 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.956 2.172 -17.875 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.411 0.524 -19.252 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.073 1.828 -19.229 1.00 0.00 N ATOM 0 H HIS B 10 -0.059 1.846 -15.854 1.00 0.00 H new ATOM 0 HA HIS B 10 0.978 -0.809 -15.459 1.00 0.00 H new ATOM 0 HB2 HIS B 10 2.215 1.966 -15.196 1.00 0.00 H new ATOM 0 HB3 HIS B 10 3.106 0.459 -15.278 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.699 3.148 -17.490 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.584 -0.050 -20.151 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.931 2.440 -20.033 1.00 0.00 H new ATOM 464 N LEU B 11 0.615 1.114 -12.793 1.00 0.00 N ATOM 465 CA LEU B 11 0.429 1.043 -11.341 1.00 0.00 C ATOM 466 C LEU B 11 -0.708 0.085 -10.980 1.00 0.00 C ATOM 467 O LEU B 11 -0.536 -0.723 -10.078 1.00 0.00 O ATOM 468 CB LEU B 11 0.206 2.455 -10.777 1.00 0.00 C ATOM 469 CG LEU B 11 0.019 2.484 -9.244 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.678 3.743 -8.671 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.461 2.474 -8.833 1.00 0.00 C ATOM 0 H LEU B 11 0.401 2.029 -13.189 1.00 0.00 H new ATOM 0 HA LEU B 11 1.331 0.639 -10.882 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.057 3.082 -11.043 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.673 2.892 -11.251 1.00 0.00 H new ATOM 0 HG LEU B 11 0.486 1.583 -8.847 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.546 3.763 -7.589 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.742 3.736 -8.906 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.216 4.627 -9.109 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.537 2.495 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.960 3.349 -9.249 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.938 1.570 -9.212 1.00 0.00 H new ATOM 483 N VAL B 12 -1.840 0.150 -11.683 1.00 0.00 N ATOM 484 CA VAL B 12 -2.993 -0.741 -11.434 1.00 0.00 C ATOM 485 C VAL B 12 -2.649 -2.216 -11.725 1.00 0.00 C ATOM 486 O VAL B 12 -3.103 -3.102 -11.001 1.00 0.00 O ATOM 487 CB VAL B 12 -4.249 -0.264 -12.208 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.407 -1.275 -12.176 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.763 1.055 -11.604 1.00 0.00 C ATOM 0 H VAL B 12 -1.991 0.817 -12.440 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.232 -0.684 -10.372 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.934 -0.141 -13.244 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.253 -0.877 -12.737 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.083 -2.214 -12.625 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.707 -1.452 -11.143 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.646 1.386 -12.151 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.023 0.899 -10.557 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.985 1.815 -11.676 1.00 0.00 H new ATOM 499 N GLU B 13 -1.801 -2.484 -12.724 1.00 0.00 N ATOM 500 CA GLU B 13 -1.255 -3.818 -13.000 1.00 0.00 C ATOM 501 C GLU B 13 -0.305 -4.281 -11.885 1.00 0.00 C ATOM 502 O GLU B 13 -0.450 -5.395 -11.378 1.00 0.00 O ATOM 503 CB GLU B 13 -0.538 -3.809 -14.360 1.00 0.00 C ATOM 504 CG GLU B 13 -0.063 -5.202 -14.787 1.00 0.00 C ATOM 505 CD GLU B 13 0.501 -5.175 -16.215 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.671 -4.764 -16.403 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.218 -5.561 -17.165 1.00 0.00 O ATOM 0 H GLU B 13 -1.470 -1.770 -13.373 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.081 -4.529 -13.034 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.212 -3.411 -15.119 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.319 -3.137 -14.310 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.702 -5.557 -14.096 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.893 -5.906 -14.733 1.00 0.00 H new ATOM 514 N ALA B 14 0.641 -3.433 -11.463 1.00 0.00 N ATOM 515 CA ALA B 14 1.552 -3.733 -10.349 1.00 0.00 C ATOM 516 C ALA B 14 0.784 -4.008 -9.040 1.00 0.00 C ATOM 517 O ALA B 14 1.051 -5.000 -8.358 1.00 0.00 O ATOM 518 CB ALA B 14 2.545 -2.572 -10.197 1.00 0.00 C ATOM 0 H ALA B 14 0.797 -2.517 -11.885 1.00 0.00 H new ATOM 0 HA ALA B 14 2.102 -4.647 -10.571 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.227 -2.782 -9.373 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.114 -2.457 -11.119 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.999 -1.651 -9.990 1.00 0.00 H new ATOM 524 N LEU B 15 -0.214 -3.181 -8.731 1.00 0.00 N ATOM 525 CA LEU B 15 -1.139 -3.344 -7.609 1.00 0.00 C ATOM 526 C LEU B 15 -1.847 -4.700 -7.682 1.00 0.00 C ATOM 527 O LEU B 15 -1.750 -5.489 -6.746 1.00 0.00 O ATOM 528 CB LEU B 15 -2.102 -2.143 -7.633 1.00 0.00 C ATOM 529 CG LEU B 15 -3.190 -2.123 -6.542 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.604 -2.101 -5.127 1.00 0.00 C ATOM 531 CD2 LEU B 15 -4.068 -0.877 -6.736 1.00 0.00 C ATOM 0 H LEU B 15 -0.409 -2.343 -9.279 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.615 -3.351 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.513 -1.230 -7.547 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.592 -2.116 -8.606 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.773 -3.038 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.414 -2.087 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.992 -2.990 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.988 -1.210 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.841 -0.854 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.451 0.018 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.535 -0.911 -7.720 1.00 0.00 H new ATOM 543 N TYR B 16 -2.464 -5.034 -8.817 1.00 0.00 N ATOM 544 CA TYR B 16 -3.076 -6.353 -9.035 1.00 0.00 C ATOM 545 C TYR B 16 -2.091 -7.524 -8.837 1.00 0.00 C ATOM 546 O TYR B 16 -2.452 -8.532 -8.232 1.00 0.00 O ATOM 547 CB TYR B 16 -3.705 -6.411 -10.435 1.00 0.00 C ATOM 548 CG TYR B 16 -4.296 -7.765 -10.788 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.341 -8.308 -10.013 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.758 -8.508 -11.859 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.852 -9.587 -10.305 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.267 -9.784 -12.159 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.319 -10.328 -11.386 1.00 0.00 C ATOM 554 OH TYR B 16 -5.809 -11.568 -11.683 1.00 0.00 O ATOM 0 H TYR B 16 -2.555 -4.401 -9.612 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.848 -6.473 -8.275 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.487 -5.655 -10.503 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.947 -6.152 -11.174 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.752 -7.740 -9.191 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.953 -8.096 -12.450 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.649 -10.001 -9.705 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.854 -10.350 -12.981 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.329 -11.933 -12.455 1.00 0.00 H new ATOM 564 N LEU B 17 -0.840 -7.385 -9.288 1.00 0.00 N ATOM 565 CA LEU B 17 0.204 -8.410 -9.138 1.00 0.00 C ATOM 566 C LEU B 17 0.725 -8.534 -7.694 1.00 0.00 C ATOM 567 O LEU B 17 1.039 -9.643 -7.257 1.00 0.00 O ATOM 568 CB LEU B 17 1.347 -8.128 -10.134 1.00 0.00 C ATOM 569 CG LEU B 17 0.984 -8.379 -11.614 1.00 0.00 C ATOM 570 CD1 LEU B 17 2.094 -7.823 -12.514 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.787 -9.872 -11.912 1.00 0.00 C ATOM 0 H LEU B 17 -0.518 -6.548 -9.774 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.243 -9.377 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.662 -7.091 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.202 -8.751 -9.872 1.00 0.00 H new ATOM 0 HG LEU B 17 0.041 -7.871 -11.815 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.838 -8.000 -13.559 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.199 -6.752 -12.343 1.00 0.00 H new ATOM 0 HD13 LEU B 17 3.035 -8.322 -12.281 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.533 -10.003 -12.964 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.708 -10.412 -11.691 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.020 -10.263 -11.293 1.00 0.00 H new ATOM 583 N VAL B 18 0.760 -7.436 -6.940 1.00 0.00 N ATOM 584 CA VAL B 18 1.065 -7.419 -5.493 1.00 0.00 C ATOM 585 C VAL B 18 -0.059 -8.102 -4.695 1.00 0.00 C ATOM 586 O VAL B 18 0.221 -8.903 -3.800 1.00 0.00 O ATOM 587 CB VAL B 18 1.303 -5.971 -4.992 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.270 -5.827 -3.460 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.675 -5.461 -5.470 1.00 0.00 C ATOM 0 H VAL B 18 0.574 -6.507 -7.318 1.00 0.00 H new ATOM 0 HA VAL B 18 1.985 -7.981 -5.333 1.00 0.00 H new ATOM 0 HB VAL B 18 0.482 -5.387 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.445 -4.786 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.296 -6.141 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.047 -6.452 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.830 -4.443 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.460 -6.107 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.707 -5.471 -6.559 1.00 0.00 H new ATOM 599 N CYS B 19 -1.319 -7.799 -5.017 1.00 0.00 N ATOM 600 CA CYS B 19 -2.481 -8.277 -4.253 1.00 0.00 C ATOM 601 C CYS B 19 -2.948 -9.692 -4.628 1.00 0.00 C ATOM 602 O CYS B 19 -3.502 -10.403 -3.789 1.00 0.00 O ATOM 603 CB CYS B 19 -3.637 -7.288 -4.439 1.00 0.00 C ATOM 604 SG CYS B 19 -3.262 -5.578 -3.968 1.00 0.00 S ATOM 0 H CYS B 19 -1.566 -7.215 -5.816 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.166 -8.335 -3.211 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.944 -7.302 -5.485 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.489 -7.633 -3.852 1.00 0.00 H new ATOM 609 N GLY B 20 -2.757 -10.100 -5.887 1.00 0.00 N ATOM 610 CA GLY B 20 -3.274 -11.357 -6.440 1.00 0.00 C ATOM 611 C GLY B 20 -4.806 -11.383 -6.496 1.00 0.00 C ATOM 612 O GLY B 20 -5.463 -10.342 -6.594 1.00 0.00 O ATOM 0 H GLY B 20 -2.227 -9.553 -6.565 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.874 -11.501 -7.444 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.921 -12.191 -5.833 1.00 0.00 H new ATOM 616 N GLU B 21 -5.375 -12.584 -6.401 1.00 0.00 N ATOM 617 CA GLU B 21 -6.819 -12.853 -6.466 1.00 0.00 C ATOM 618 C GLU B 21 -7.641 -12.177 -5.347 1.00 0.00 C ATOM 619 O GLU B 21 -8.869 -12.091 -5.454 1.00 0.00 O ATOM 620 CB GLU B 21 -7.086 -14.372 -6.432 1.00 0.00 C ATOM 621 CG GLU B 21 -6.377 -15.182 -7.532 1.00 0.00 C ATOM 622 CD GLU B 21 -5.051 -15.794 -7.047 1.00 0.00 C ATOM 623 OE1 GLU B 21 -4.090 -15.031 -6.786 1.00 0.00 O ATOM 624 OE2 GLU B 21 -4.962 -17.038 -6.922 1.00 0.00 O ATOM 0 H GLU B 21 -4.825 -13.433 -6.271 1.00 0.00 H new ATOM 0 HA GLU B 21 -7.149 -12.419 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -6.777 -14.758 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -8.160 -14.539 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -7.037 -15.978 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.184 -14.536 -8.388 1.00 0.00 H new ATOM 631 N ARG B 22 -6.988 -11.665 -4.292 1.00 0.00 N ATOM 632 CA ARG B 22 -7.615 -10.903 -3.198 1.00 0.00 C ATOM 633 C ARG B 22 -8.252 -9.581 -3.672 1.00 0.00 C ATOM 634 O ARG B 22 -9.181 -9.079 -3.034 1.00 0.00 O ATOM 635 CB ARG B 22 -6.545 -10.658 -2.122 1.00 0.00 C ATOM 636 CG ARG B 22 -7.094 -9.994 -0.848 1.00 0.00 C ATOM 637 CD ARG B 22 -6.052 -9.970 0.284 1.00 0.00 C ATOM 638 NE ARG B 22 -5.782 -11.315 0.832 1.00 0.00 N ATOM 639 CZ ARG B 22 -6.524 -11.975 1.715 1.00 0.00 C ATOM 640 NH1 ARG B 22 -7.638 -11.480 2.213 1.00 0.00 N ATOM 641 NH2 ARG B 22 -6.145 -13.168 2.120 1.00 0.00 N ATOM 0 H ARG B 22 -5.981 -11.772 -4.172 1.00 0.00 H new ATOM 0 HA ARG B 22 -8.441 -11.485 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -6.084 -11.609 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.759 -10.029 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.405 -8.975 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.981 -10.531 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.123 -9.540 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -6.404 -9.319 1.084 1.00 0.00 H new ATOM 0 HE ARG B 22 -4.940 -11.785 0.499 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.960 -10.557 1.923 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -8.178 -12.020 2.889 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -5.286 -13.581 1.756 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -6.710 -13.680 2.798 1.00 0.00 H new ATOM 655 N GLY B 23 -7.767 -9.011 -4.783 1.00 0.00 N ATOM 656 CA GLY B 23 -8.248 -7.741 -5.348 1.00 0.00 C ATOM 657 C GLY B 23 -7.708 -6.515 -4.610 1.00 0.00 C ATOM 658 O GLY B 23 -6.814 -6.620 -3.764 1.00 0.00 O ATOM 0 H GLY B 23 -7.012 -9.429 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.958 -7.684 -6.397 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.337 -7.726 -5.317 1.00 0.00 H new ATOM 662 N PHE B 24 -8.237 -5.340 -4.957 1.00 0.00 N ATOM 663 CA PHE B 24 -7.735 -4.030 -4.526 1.00 0.00 C ATOM 664 C PHE B 24 -8.765 -2.899 -4.703 1.00 0.00 C ATOM 665 O PHE B 24 -9.746 -3.037 -5.441 1.00 0.00 O ATOM 666 CB PHE B 24 -6.449 -3.714 -5.312 1.00 0.00 C ATOM 667 CG PHE B 24 -6.647 -3.637 -6.816 1.00 0.00 C ATOM 668 CD1 PHE B 24 -7.055 -2.430 -7.416 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.473 -4.783 -7.619 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.300 -2.371 -8.798 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.727 -4.723 -9.002 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.139 -3.517 -9.591 1.00 0.00 C ATOM 0 H PHE B 24 -9.053 -5.270 -5.565 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.530 -4.085 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -6.044 -2.765 -4.960 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.704 -4.479 -5.093 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.180 -1.545 -6.810 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.144 -5.709 -7.172 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.613 -1.442 -9.251 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.605 -5.606 -9.611 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.332 -3.472 -10.653 1.00 0.00 H new ATOM 682 N PHE B 25 -8.479 -1.750 -4.082 1.00 0.00 N ATOM 683 CA PHE B 25 -9.160 -0.467 -4.300 1.00 0.00 C ATOM 684 C PHE B 25 -8.206 0.692 -3.964 1.00 0.00 C ATOM 685 O PHE B 25 -7.780 0.852 -2.820 1.00 0.00 O ATOM 686 CB PHE B 25 -10.452 -0.405 -3.472 1.00 0.00 C ATOM 687 CG PHE B 25 -11.231 0.885 -3.671 1.00 0.00 C ATOM 688 CD1 PHE B 25 -12.083 1.030 -4.782 1.00 0.00 C ATOM 689 CD2 PHE B 25 -11.084 1.954 -2.763 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.779 2.235 -4.986 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.780 3.157 -2.968 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.629 3.299 -4.078 1.00 0.00 C ATOM 0 H PHE B 25 -7.737 -1.685 -3.385 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.441 -0.375 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.087 -1.250 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -10.204 -0.513 -2.416 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -12.203 0.214 -5.479 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.434 1.847 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.430 2.344 -5.841 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.662 3.974 -2.271 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.166 4.223 -4.234 1.00 0.00 H new ATOM 702 N TYR B 26 -7.855 1.493 -4.973 1.00 0.00 N ATOM 703 CA TYR B 26 -6.884 2.587 -4.892 1.00 0.00 C ATOM 704 C TYR B 26 -7.510 3.978 -4.628 1.00 0.00 C ATOM 705 O TYR B 26 -8.728 4.158 -4.709 1.00 0.00 O ATOM 706 CB TYR B 26 -6.076 2.575 -6.202 1.00 0.00 C ATOM 707 CG TYR B 26 -6.892 2.661 -7.486 1.00 0.00 C ATOM 708 CD1 TYR B 26 -7.524 3.868 -7.853 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.018 1.534 -8.320 1.00 0.00 C ATOM 710 CE1 TYR B 26 -8.274 3.949 -9.041 1.00 0.00 C ATOM 711 CE2 TYR B 26 -7.770 1.606 -9.510 1.00 0.00 C ATOM 712 CZ TYR B 26 -8.401 2.818 -9.876 1.00 0.00 C ATOM 713 OH TYR B 26 -9.117 2.904 -11.030 1.00 0.00 O ATOM 0 H TYR B 26 -8.255 1.393 -5.906 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.245 2.417 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.376 3.410 -6.182 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.482 1.662 -6.232 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.431 4.736 -7.217 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.535 0.608 -8.046 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.753 4.878 -9.314 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.864 0.736 -10.142 1.00 0.00 H new ATOM 0 HH TYR B 26 -9.105 2.038 -11.488 1.00 0.00 H new ATOM 723 N THR B 27 -6.652 4.974 -4.374 1.00 0.00 N ATOM 724 CA THR B 27 -6.965 6.412 -4.244 1.00 0.00 C ATOM 725 C THR B 27 -5.981 7.250 -5.080 1.00 0.00 C ATOM 726 O THR B 27 -4.891 6.757 -5.391 1.00 0.00 O ATOM 727 CB THR B 27 -6.922 6.841 -2.766 1.00 0.00 C ATOM 728 OG1 THR B 27 -5.737 6.378 -2.161 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.100 6.270 -1.973 1.00 0.00 C ATOM 0 H THR B 27 -5.657 4.791 -4.245 1.00 0.00 H new ATOM 0 HA THR B 27 -7.973 6.584 -4.621 1.00 0.00 H new ATOM 0 HB THR B 27 -6.970 7.930 -2.752 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.065 7.092 -2.169 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.032 6.596 -0.935 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.036 6.625 -2.405 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.072 5.181 -2.014 1.00 0.00 H new ATOM 737 N PRO B 28 -6.310 8.496 -5.473 1.00 0.00 N ATOM 738 CA PRO B 28 -5.432 9.308 -6.312 1.00 0.00 C ATOM 739 C PRO B 28 -4.209 9.824 -5.537 1.00 0.00 C ATOM 740 O PRO B 28 -3.080 9.566 -5.945 1.00 0.00 O ATOM 741 CB PRO B 28 -6.315 10.442 -6.850 1.00 0.00 C ATOM 742 CG PRO B 28 -7.427 10.583 -5.806 1.00 0.00 C ATOM 743 CD PRO B 28 -7.596 9.159 -5.275 1.00 0.00 C ATOM 0 HA PRO B 28 -5.005 8.726 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.751 11.368 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.720 10.199 -7.832 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.148 11.277 -5.013 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.349 10.959 -6.249 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.872 9.167 -4.221 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.390 8.636 -5.808 1.00 0.00 H new ATOM 751 N LYS B 29 -4.430 10.521 -4.416 1.00 0.00 N ATOM 752 CA LYS B 29 -3.402 11.252 -3.645 1.00 0.00 C ATOM 753 C LYS B 29 -3.833 11.563 -2.186 1.00 0.00 C ATOM 754 O LYS B 29 -3.317 12.486 -1.552 1.00 0.00 O ATOM 755 CB LYS B 29 -2.977 12.507 -4.441 1.00 0.00 C ATOM 756 CG LYS B 29 -4.106 13.547 -4.597 1.00 0.00 C ATOM 757 CD LYS B 29 -3.767 14.658 -5.604 1.00 0.00 C ATOM 758 CE LYS B 29 -3.751 14.106 -7.034 1.00 0.00 C ATOM 759 NZ LYS B 29 -3.570 15.169 -8.054 1.00 0.00 N ATOM 0 H LYS B 29 -5.359 10.598 -4.002 1.00 0.00 H new ATOM 0 HA LYS B 29 -2.532 10.607 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -2.129 12.975 -3.941 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -2.635 12.202 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -5.017 13.041 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -4.315 13.996 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -4.500 15.461 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -2.795 15.089 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -2.947 13.376 -7.129 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -4.685 13.578 -7.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -3.617 14.750 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -4.322 15.880 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -2.644 15.623 -7.922 1.00 0.00 H new ATOM 773 N THR B 30 -4.815 10.810 -1.681 1.00 0.00 N ATOM 774 CA THR B 30 -5.480 10.948 -0.366 1.00 0.00 C ATOM 775 C THR B 30 -4.533 10.676 0.806 1.00 0.00 C ATOM 776 O THR B 30 -4.455 11.529 1.718 1.00 0.00 O ATOM 777 CB THR B 30 -6.682 9.997 -0.299 1.00 0.00 C ATOM 778 OG1 THR B 30 -7.499 10.191 -1.440 1.00 0.00 O ATOM 779 CG2 THR B 30 -7.556 10.209 0.936 1.00 0.00 C ATOM 780 OXT THR B 30 -3.859 9.619 0.809 1.00 0.00 O ATOM 0 H THR B 30 -5.199 10.029 -2.213 1.00 0.00 H new ATOM 0 HA THR B 30 -5.810 11.983 -0.274 1.00 0.00 H new ATOM 0 HB THR B 30 -6.271 8.989 -0.253 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.267 9.583 -1.400 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.387 9.504 0.919 1.00 0.00 H new ATOM 0 HG22 THR B 30 -6.961 10.048 1.835 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.945 11.227 0.936 1.00 0.00 H new TER 788 THR B 30