USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 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 NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ 163:sc= 0.29 (180deg=0) USER MOD Set 1.2: A 5 GLN : amide:sc= 0.282 K(o=0.57,f=-3) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -29:sc=0.000684 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0052 X(o=-0.0052,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 134:sc= 0.0136 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.386 K(o=0.39,f=-0.16) USER MOD Single : B 4 GLN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.769 X(o=-0.77,f=-0.34) 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 180:sc= 0.00238 USER MOD Single : B 29 LYS NZ :NH3+ 160:sc= 0.864 (180deg=0.666) USER MOD Single : B 30 THR OG1 : rot 38:sc= 0.0543 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.885 -2.792 -0.177 1.00 0.00 N ATOM 2 CA GLY A 1 -1.010 -3.087 -1.619 1.00 0.00 C ATOM 3 C GLY A 1 -1.418 -1.848 -2.396 1.00 0.00 C ATOM 4 O GLY A 1 -2.584 -1.471 -2.330 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.892 -3.682 0.361 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.008 -2.289 -0.002 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.683 -2.198 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.061 -3.463 -2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.748 -3.874 -1.770 1.00 0.00 H new ATOM 10 N ILE A 2 -0.469 -1.262 -3.147 1.00 0.00 N ATOM 11 CA ILE A 2 -0.446 -0.100 -4.059 1.00 0.00 C ATOM 12 C ILE A 2 -1.127 1.187 -3.576 1.00 0.00 C ATOM 13 O ILE A 2 -0.503 2.246 -3.453 1.00 0.00 O ATOM 14 CB ILE A 2 -0.851 -0.561 -5.474 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.780 0.607 -6.468 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.200 -1.303 -5.548 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.942 0.117 -7.903 1.00 0.00 C ATOM 0 H ILE A 2 0.466 -1.668 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 2 0.585 0.252 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.115 -1.312 -5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.560 1.332 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.175 1.122 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.402 -1.589 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.158 -2.197 -4.926 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.995 -0.649 -5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.888 0.965 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.146 -0.590 -8.138 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.908 -0.375 -8.012 1.00 0.00 H new ATOM 29 N VAL A 3 -2.401 1.066 -3.257 1.00 0.00 N ATOM 30 CA VAL A 3 -3.210 2.075 -2.563 1.00 0.00 C ATOM 31 C VAL A 3 -2.749 2.188 -1.111 1.00 0.00 C ATOM 32 O VAL A 3 -2.394 1.202 -0.464 1.00 0.00 O ATOM 33 CB VAL A 3 -4.714 1.771 -2.709 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.614 2.549 -1.740 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.139 2.159 -4.129 1.00 0.00 C ATOM 0 H VAL A 3 -2.934 0.226 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.062 3.051 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.838 0.711 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.655 2.275 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.339 2.307 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.488 3.619 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.201 1.954 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.953 3.221 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.566 1.578 -4.852 1.00 0.00 H new ATOM 45 N GLU A 4 -2.685 3.430 -0.633 1.00 0.00 N ATOM 46 CA GLU A 4 -2.003 3.823 0.615 1.00 0.00 C ATOM 47 C GLU A 4 -0.517 3.394 0.703 1.00 0.00 C ATOM 48 O GLU A 4 0.063 3.355 1.790 1.00 0.00 O ATOM 49 CB GLU A 4 -2.838 3.456 1.860 1.00 0.00 C ATOM 50 CG GLU A 4 -4.219 4.128 1.873 1.00 0.00 C ATOM 51 CD GLU A 4 -4.980 3.798 3.171 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.697 2.767 3.219 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.878 4.571 4.155 1.00 0.00 O1- ATOM 0 H GLU A 4 -3.117 4.220 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.942 4.911 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.966 2.374 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.290 3.745 2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.103 5.208 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.798 3.794 1.012 1.00 0.00 H new ATOM 60 N GLN A 5 0.123 3.141 -0.447 1.00 0.00 N ATOM 61 CA GLN A 5 1.583 3.178 -0.616 1.00 0.00 C ATOM 62 C GLN A 5 1.955 4.384 -1.489 1.00 0.00 C ATOM 63 O GLN A 5 2.517 5.361 -0.997 1.00 0.00 O ATOM 64 CB GLN A 5 2.120 1.849 -1.185 1.00 0.00 C ATOM 65 CG GLN A 5 1.931 0.679 -0.209 1.00 0.00 C ATOM 66 CD GLN A 5 2.441 -0.647 -0.765 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.674 -1.556 -1.056 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.734 -0.828 -0.921 1.00 0.00 N ATOM 0 H GLN A 5 -0.371 2.899 -1.306 1.00 0.00 H new ATOM 0 HA GLN A 5 2.059 3.298 0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.609 1.624 -2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.179 1.958 -1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.453 0.901 0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.873 0.582 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.386 -0.080 -0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.085 -1.716 -1.280 1.00 0.00 H new ATOM 77 N CYS A 6 1.523 4.387 -2.754 1.00 0.00 N ATOM 78 CA CYS A 6 1.840 5.456 -3.716 1.00 0.00 C ATOM 79 C CYS A 6 1.136 6.796 -3.391 1.00 0.00 C ATOM 80 O CYS A 6 1.548 7.860 -3.854 1.00 0.00 O ATOM 81 CB CYS A 6 1.498 4.951 -5.128 1.00 0.00 C ATOM 82 SG CYS A 6 2.827 5.082 -6.352 1.00 0.00 S ATOM 0 H CYS A 6 0.941 3.646 -3.145 1.00 0.00 H new ATOM 0 HA CYS A 6 2.904 5.681 -3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.196 3.906 -5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.636 5.508 -5.494 1.00 0.00 H new ATOM 87 N CYS A 7 0.084 6.752 -2.565 1.00 0.00 N ATOM 88 CA CYS A 7 -0.689 7.917 -2.120 1.00 0.00 C ATOM 89 C CYS A 7 -0.147 8.552 -0.815 1.00 0.00 C ATOM 90 O CYS A 7 -0.613 9.617 -0.406 1.00 0.00 O ATOM 91 CB CYS A 7 -2.157 7.467 -2.023 1.00 0.00 C ATOM 92 SG CYS A 7 -3.409 8.758 -1.766 1.00 0.00 S ATOM 0 H CYS A 7 -0.264 5.876 -2.175 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.596 8.728 -2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.407 6.932 -2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.237 6.752 -1.204 1.00 0.00 H new ATOM 97 N THR A 8 0.840 7.919 -0.156 1.00 0.00 N ATOM 98 CA THR A 8 1.455 8.402 1.104 1.00 0.00 C ATOM 99 C THR A 8 2.983 8.575 1.033 1.00 0.00 C ATOM 100 O THR A 8 3.545 9.414 1.743 1.00 0.00 O ATOM 101 CB THR A 8 1.014 7.527 2.289 1.00 0.00 C ATOM 102 OG1 THR A 8 1.271 8.179 3.515 1.00 0.00 O ATOM 103 CG2 THR A 8 1.703 6.167 2.326 1.00 0.00 C ATOM 0 H THR A 8 1.243 7.042 -0.486 1.00 0.00 H new ATOM 0 HA THR A 8 1.079 9.412 1.266 1.00 0.00 H new ATOM 0 HB THR A 8 -0.055 7.366 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.982 7.607 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.346 5.601 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.475 5.619 1.412 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.781 6.307 2.406 1.00 0.00 H new ATOM 111 N SER A 9 3.662 7.851 0.134 1.00 0.00 N ATOM 112 CA SER A 9 5.053 8.095 -0.275 1.00 0.00 C ATOM 113 C SER A 9 5.169 8.211 -1.803 1.00 0.00 C ATOM 114 O SER A 9 4.322 7.716 -2.550 1.00 0.00 O ATOM 115 CB SER A 9 6.000 7.033 0.300 1.00 0.00 C ATOM 116 OG SER A 9 5.706 5.732 -0.185 1.00 0.00 O ATOM 0 H SER A 9 3.245 7.053 -0.345 1.00 0.00 H new ATOM 0 HA SER A 9 5.363 9.053 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.028 7.290 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.930 7.038 1.388 1.00 0.00 H new ATOM 0 HG SER A 9 4.751 5.669 -0.394 1.00 0.00 H new ATOM 122 N ILE A 10 6.206 8.907 -2.277 1.00 0.00 N ATOM 123 CA ILE A 10 6.361 9.289 -3.691 1.00 0.00 C ATOM 124 C ILE A 10 6.465 8.069 -4.620 1.00 0.00 C ATOM 125 O ILE A 10 7.202 7.115 -4.353 1.00 0.00 O ATOM 126 CB ILE A 10 7.545 10.278 -3.839 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.058 11.657 -3.342 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.110 10.364 -5.265 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.037 12.825 -3.489 1.00 0.00 C ATOM 0 H ILE A 10 6.973 9.227 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 10 5.457 9.805 -4.015 1.00 0.00 H new ATOM 0 HB ILE A 10 8.379 9.914 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.144 11.909 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.793 11.565 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.935 11.076 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.470 9.382 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.327 10.695 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.577 13.736 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.945 12.611 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.286 12.961 -4.541 1.00 0.00 H new ATOM 141 N CYS A 11 5.751 8.138 -5.746 1.00 0.00 N ATOM 142 CA CYS A 11 5.802 7.161 -6.826 1.00 0.00 C ATOM 143 C CYS A 11 7.019 7.386 -7.737 1.00 0.00 C ATOM 144 O CYS A 11 7.398 8.525 -8.027 1.00 0.00 O ATOM 145 CB CYS A 11 4.510 7.253 -7.648 1.00 0.00 C ATOM 146 SG CYS A 11 2.978 7.074 -6.703 1.00 0.00 S ATOM 0 H CYS A 11 5.102 8.902 -5.933 1.00 0.00 H new ATOM 0 HA CYS A 11 5.899 6.168 -6.387 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.492 8.216 -8.159 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.534 6.483 -8.419 1.00 0.00 H new ATOM 151 N SER A 12 7.560 6.286 -8.259 1.00 0.00 N ATOM 152 CA SER A 12 8.610 6.259 -9.287 1.00 0.00 C ATOM 153 C SER A 12 8.209 5.305 -10.410 1.00 0.00 C ATOM 154 O SER A 12 7.426 4.377 -10.186 1.00 0.00 O ATOM 155 CB SER A 12 9.960 5.838 -8.687 1.00 0.00 C ATOM 156 OG SER A 12 10.372 6.743 -7.676 1.00 0.00 O ATOM 0 H SER A 12 7.271 5.352 -7.969 1.00 0.00 H new ATOM 0 HA SER A 12 8.722 7.265 -9.692 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.879 4.834 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.714 5.797 -9.473 1.00 0.00 H new ATOM 0 HG SER A 12 11.233 6.453 -7.308 1.00 0.00 H new ATOM 162 N LEU A 13 8.782 5.487 -11.604 1.00 0.00 N ATOM 163 CA LEU A 13 8.519 4.657 -12.788 1.00 0.00 C ATOM 164 C LEU A 13 8.676 3.165 -12.467 1.00 0.00 C ATOM 165 O LEU A 13 7.810 2.352 -12.773 1.00 0.00 O ATOM 166 CB LEU A 13 9.497 5.019 -13.925 1.00 0.00 C ATOM 167 CG LEU A 13 9.457 6.483 -14.385 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.506 7.335 -13.664 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.753 6.586 -15.883 1.00 0.00 C ATOM 0 H LEU A 13 9.457 6.231 -11.780 1.00 0.00 H new ATOM 0 HA LEU A 13 7.493 4.851 -13.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.510 4.786 -13.598 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.284 4.380 -14.782 1.00 0.00 H new ATOM 0 HG LEU A 13 8.456 6.848 -14.154 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.445 8.364 -14.018 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.320 7.309 -12.590 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.500 6.939 -13.870 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.720 7.632 -16.189 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.743 6.179 -16.087 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.007 6.021 -16.441 1.00 0.00 H new ATOM 181 N TYR A 14 9.758 2.844 -11.761 1.00 0.00 N ATOM 182 CA TYR A 14 10.126 1.488 -11.341 1.00 0.00 C ATOM 183 C TYR A 14 9.086 0.847 -10.404 1.00 0.00 C ATOM 184 O TYR A 14 8.792 -0.343 -10.523 1.00 0.00 O ATOM 185 CB TYR A 14 11.501 1.548 -10.654 1.00 0.00 C ATOM 186 CG TYR A 14 12.537 2.379 -11.394 1.00 0.00 C ATOM 187 CD1 TYR A 14 13.049 1.935 -12.629 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.947 3.621 -10.870 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.968 2.730 -13.341 1.00 0.00 C ATOM 190 CE2 TYR A 14 13.861 4.421 -11.581 1.00 0.00 C ATOM 191 CZ TYR A 14 14.376 3.979 -12.819 1.00 0.00 C ATOM 192 OH TYR A 14 15.261 4.757 -13.501 1.00 0.00 O ATOM 0 H TYR A 14 10.430 3.546 -11.452 1.00 0.00 H new ATOM 0 HA TYR A 14 10.164 0.856 -12.228 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.375 1.956 -9.651 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.881 0.533 -10.540 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.736 0.983 -13.031 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.559 3.960 -9.921 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.361 2.385 -14.286 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.169 5.375 -11.179 1.00 0.00 H new ATOM 0 HH TYR A 14 15.429 5.581 -12.997 1.00 0.00 H new ATOM 202 N GLN A 15 8.486 1.630 -9.499 1.00 0.00 N ATOM 203 CA GLN A 15 7.428 1.162 -8.594 1.00 0.00 C ATOM 204 C GLN A 15 6.116 0.938 -9.361 1.00 0.00 C ATOM 205 O GLN A 15 5.459 -0.087 -9.187 1.00 0.00 O ATOM 206 CB GLN A 15 7.211 2.168 -7.446 1.00 0.00 C ATOM 207 CG GLN A 15 8.445 2.483 -6.585 1.00 0.00 C ATOM 208 CD GLN A 15 8.688 1.385 -5.556 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.320 1.485 -4.393 1.00 0.00 O ATOM 210 NE2 GLN A 15 9.271 0.272 -5.944 1.00 0.00 N ATOM 0 H GLN A 15 8.723 2.614 -9.373 1.00 0.00 H new ATOM 0 HA GLN A 15 7.744 0.211 -8.166 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.842 3.101 -7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.427 1.782 -6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.322 2.588 -7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.305 3.437 -6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.584 0.170 -6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.410 -0.489 -5.280 1.00 0.00 H new ATOM 219 N LEU A 16 5.770 1.857 -10.266 1.00 0.00 N ATOM 220 CA LEU A 16 4.583 1.760 -11.119 1.00 0.00 C ATOM 221 C LEU A 16 4.675 0.579 -12.110 1.00 0.00 C ATOM 222 O LEU A 16 3.693 -0.131 -12.327 1.00 0.00 O ATOM 223 CB LEU A 16 4.376 3.113 -11.813 1.00 0.00 C ATOM 224 CG LEU A 16 4.018 4.291 -10.882 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.187 5.604 -11.644 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.577 4.233 -10.375 1.00 0.00 C ATOM 0 H LEU A 16 6.316 2.703 -10.429 1.00 0.00 H new ATOM 0 HA LEU A 16 3.707 1.542 -10.509 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.287 3.366 -12.356 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.583 3.004 -12.553 1.00 0.00 H new ATOM 0 HG LEU A 16 4.687 4.226 -10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.935 6.439 -10.990 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.221 5.702 -11.976 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.526 5.609 -12.511 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.385 5.087 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.892 4.260 -11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.425 3.310 -9.815 1.00 0.00 H new ATOM 238 N GLU A 17 5.866 0.292 -12.638 1.00 0.00 N ATOM 239 CA GLU A 17 6.144 -0.915 -13.430 1.00 0.00 C ATOM 240 C GLU A 17 6.050 -2.201 -12.585 1.00 0.00 C ATOM 241 O GLU A 17 5.501 -3.197 -13.056 1.00 0.00 O ATOM 242 CB GLU A 17 7.525 -0.822 -14.099 1.00 0.00 C ATOM 243 CG GLU A 17 7.531 0.116 -15.313 1.00 0.00 C ATOM 244 CD GLU A 17 8.910 0.104 -16.002 1.00 0.00 C ATOM 245 OE1 GLU A 17 9.127 -0.732 -16.913 1.00 0.00 O ATOM 246 OE2 GLU A 17 9.789 0.922 -15.637 1.00 0.00 O1- ATOM 0 H GLU A 17 6.679 0.898 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 17 5.376 -0.971 -14.202 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.255 -0.471 -13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.841 -1.817 -14.412 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.762 -0.192 -16.021 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.285 1.130 -14.997 1.00 0.00 H new ATOM 253 N ASN A 18 6.503 -2.186 -11.323 1.00 0.00 N ATOM 254 CA ASN A 18 6.347 -3.321 -10.402 1.00 0.00 C ATOM 255 C ASN A 18 4.869 -3.621 -10.085 1.00 0.00 C ATOM 256 O ASN A 18 4.505 -4.789 -9.934 1.00 0.00 O ATOM 257 CB ASN A 18 7.143 -3.076 -9.104 1.00 0.00 C ATOM 258 CG ASN A 18 8.651 -3.231 -9.248 1.00 0.00 C ATOM 259 OD1 ASN A 18 9.190 -3.651 -10.264 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.388 -2.941 -8.199 1.00 0.00 N ATOM 0 H ASN A 18 6.987 -1.388 -10.913 1.00 0.00 H new ATOM 0 HA ASN A 18 6.749 -4.201 -10.905 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.927 -2.070 -8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.791 -3.770 -8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.400 -3.066 -8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.948 -2.590 -7.348 1.00 0.00 H new ATOM 267 N TYR A 19 4.005 -2.600 -10.033 1.00 0.00 N ATOM 268 CA TYR A 19 2.554 -2.787 -9.905 1.00 0.00 C ATOM 269 C TYR A 19 1.906 -3.347 -11.185 1.00 0.00 C ATOM 270 O TYR A 19 0.946 -4.115 -11.101 1.00 0.00 O ATOM 271 CB TYR A 19 1.885 -1.463 -9.525 1.00 0.00 C ATOM 272 CG TYR A 19 2.324 -0.824 -8.215 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.439 -1.578 -7.028 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.580 0.560 -8.182 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.834 -0.952 -5.828 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.006 1.183 -6.996 1.00 0.00 C ATOM 277 CZ TYR A 19 3.128 0.428 -5.809 1.00 0.00 C ATOM 278 OH TYR A 19 3.506 1.025 -4.646 1.00 0.00 O ATOM 0 H TYR A 19 4.291 -1.622 -10.078 1.00 0.00 H new ATOM 0 HA TYR A 19 2.401 -3.525 -9.118 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.065 -0.749 -10.328 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.808 -1.627 -9.479 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.224 -2.636 -7.039 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.448 1.149 -9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.912 -1.531 -4.920 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.240 2.237 -6.993 1.00 0.00 H new ATOM 0 HH TYR A 19 3.672 1.977 -4.806 1.00 0.00 H new ATOM 288 N CYS A 20 2.432 -3.001 -12.368 1.00 0.00 N ATOM 289 CA CYS A 20 1.978 -3.559 -13.647 1.00 0.00 C ATOM 290 C CYS A 20 2.384 -5.040 -13.824 1.00 0.00 C ATOM 291 O CYS A 20 1.613 -5.843 -14.356 1.00 0.00 O ATOM 292 CB CYS A 20 2.546 -2.708 -14.788 1.00 0.00 C ATOM 293 SG CYS A 20 1.869 -3.126 -16.418 1.00 0.00 S ATOM 0 H CYS A 20 3.188 -2.323 -12.464 1.00 0.00 H new ATOM 0 HA CYS A 20 0.888 -3.533 -13.662 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.345 -1.657 -14.580 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.629 -2.827 -14.813 1.00 0.00 H new ATOM 298 N ASN A 21 3.582 -5.414 -13.361 1.00 0.00 N ATOM 299 CA ASN A 21 4.138 -6.768 -13.465 1.00 0.00 C ATOM 300 C ASN A 21 3.297 -7.818 -12.706 1.00 0.00 C ATOM 301 O ASN A 21 3.034 -7.695 -11.502 1.00 0.00 O ATOM 302 CB ASN A 21 5.602 -6.727 -12.990 1.00 0.00 C ATOM 303 CG ASN A 21 6.300 -8.066 -13.175 1.00 0.00 C ATOM 304 OD1 ASN A 21 6.381 -8.885 -12.270 1.00 0.00 O ATOM 305 ND2 ASN A 21 6.795 -8.350 -14.359 1.00 0.00 N ATOM 0 H ASN A 21 4.210 -4.763 -12.889 1.00 0.00 H new ATOM 0 HA ASN A 21 4.105 -7.090 -14.506 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.141 -5.958 -13.543 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.634 -6.444 -11.938 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.245 -9.251 -14.521 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.729 -7.669 -15.116 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 8.253 11.677 -17.071 1.00 0.00 N ATOM 314 CA PHE B 1 7.840 11.506 -15.677 1.00 0.00 C ATOM 315 C PHE B 1 8.517 12.524 -14.743 1.00 0.00 C ATOM 316 O PHE B 1 9.677 12.895 -14.949 1.00 0.00 O ATOM 317 CB PHE B 1 8.173 10.074 -15.227 1.00 0.00 C ATOM 318 CG PHE B 1 7.561 9.646 -13.903 1.00 0.00 C ATOM 319 CD1 PHE B 1 6.267 9.095 -13.874 1.00 0.00 C ATOM 320 CD2 PHE B 1 8.295 9.755 -12.705 1.00 0.00 C ATOM 321 CE1 PHE B 1 5.708 8.662 -12.659 1.00 0.00 C ATOM 322 CE2 PHE B 1 7.738 9.315 -11.491 1.00 0.00 C ATOM 323 CZ PHE B 1 6.443 8.772 -11.466 1.00 0.00 C ATOM 0 H1 PHE B 1 8.483 10.749 -17.481 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.478 12.112 -17.612 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.091 12.291 -17.112 1.00 0.00 H new ATOM 0 HA PHE B 1 6.766 11.681 -15.617 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.842 9.382 -16.001 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.256 9.977 -15.155 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.701 9.004 -14.789 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.289 10.178 -12.719 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.712 8.244 -12.642 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.307 9.395 -10.576 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.013 8.440 -10.533 1.00 0.00 H new ATOM 333 N VAL B 2 7.814 12.920 -13.677 1.00 0.00 N ATOM 334 CA VAL B 2 8.368 13.647 -12.520 1.00 0.00 C ATOM 335 C VAL B 2 7.822 13.058 -11.218 1.00 0.00 C ATOM 336 O VAL B 2 6.645 12.695 -11.140 1.00 0.00 O ATOM 337 CB VAL B 2 8.116 15.173 -12.579 1.00 0.00 C ATOM 338 CG1 VAL B 2 8.877 15.827 -13.737 1.00 0.00 C ATOM 339 CG2 VAL B 2 6.636 15.561 -12.695 1.00 0.00 C ATOM 0 H VAL B 2 6.814 12.740 -13.589 1.00 0.00 H new ATOM 0 HA VAL B 2 9.450 13.517 -12.554 1.00 0.00 H new ATOM 0 HB VAL B 2 8.484 15.542 -11.622 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.675 16.898 -13.746 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.947 15.660 -13.610 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.551 15.388 -14.680 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.546 16.647 -12.731 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.218 15.132 -13.606 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.091 15.180 -11.831 1.00 0.00 H new ATOM 349 N ASN B 3 8.673 12.972 -10.191 1.00 0.00 N ATOM 350 CA ASN B 3 8.304 12.470 -8.861 1.00 0.00 C ATOM 351 C ASN B 3 7.061 13.160 -8.275 1.00 0.00 C ATOM 352 O ASN B 3 6.998 14.390 -8.190 1.00 0.00 O ATOM 353 CB ASN B 3 9.469 12.596 -7.860 1.00 0.00 C ATOM 354 CG ASN B 3 10.313 13.862 -7.981 1.00 0.00 C ATOM 355 OD1 ASN B 3 11.500 13.814 -8.272 1.00 0.00 O ATOM 356 ND2 ASN B 3 9.745 15.026 -7.773 1.00 0.00 N ATOM 0 H ASN B 3 9.651 13.253 -10.260 1.00 0.00 H new ATOM 0 HA ASN B 3 8.064 11.417 -9.012 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.062 12.548 -6.850 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.123 11.733 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.293 15.883 -7.854 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.756 15.074 -7.530 1.00 0.00 H new ATOM 363 N GLN B 4 6.106 12.353 -7.814 1.00 0.00 N ATOM 364 CA GLN B 4 4.870 12.785 -7.174 1.00 0.00 C ATOM 365 C GLN B 4 4.201 11.605 -6.459 1.00 0.00 C ATOM 366 O GLN B 4 4.356 10.446 -6.848 1.00 0.00 O ATOM 367 CB GLN B 4 3.925 13.402 -8.226 1.00 0.00 C ATOM 368 CG GLN B 4 3.480 12.427 -9.330 1.00 0.00 C ATOM 369 CD GLN B 4 2.993 13.168 -10.572 1.00 0.00 C ATOM 370 OE1 GLN B 4 1.838 13.557 -10.696 1.00 0.00 O ATOM 371 NE2 GLN B 4 3.859 13.409 -11.533 1.00 0.00 N ATOM 0 H GLN B 4 6.178 11.338 -7.881 1.00 0.00 H new ATOM 0 HA GLN B 4 5.099 13.545 -6.427 1.00 0.00 H new ATOM 0 HB2 GLN B 4 3.040 13.787 -7.720 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.423 14.254 -8.689 1.00 0.00 H new ATOM 0 HG2 GLN B 4 4.312 11.775 -9.597 1.00 0.00 H new ATOM 0 HG3 GLN B 4 2.683 11.787 -8.951 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.824 13.090 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN B 4 3.566 13.914 -12.369 1.00 0.00 H new ATOM 380 N HIS B 5 3.430 11.904 -5.424 1.00 0.00 N ATOM 381 CA HIS B 5 2.423 10.993 -4.858 1.00 0.00 C ATOM 382 C HIS B 5 1.240 10.832 -5.834 1.00 0.00 C ATOM 383 O HIS B 5 0.862 11.796 -6.506 1.00 0.00 O ATOM 384 CB HIS B 5 1.926 11.532 -3.507 1.00 0.00 C ATOM 385 CG HIS B 5 3.006 11.839 -2.493 1.00 0.00 C ATOM 386 ND1 HIS B 5 3.255 11.117 -1.323 1.00 0.00 N ATOM 387 CD2 HIS B 5 3.851 12.913 -2.533 1.00 0.00 C ATOM 388 CE1 HIS B 5 4.238 11.776 -0.684 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.608 12.861 -1.384 1.00 0.00 N ATOM 0 H HIS B 5 3.481 12.800 -4.939 1.00 0.00 H new ATOM 0 HA HIS B 5 2.881 10.016 -4.701 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.352 12.441 -3.687 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.242 10.803 -3.074 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.913 13.657 -3.313 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.669 11.475 0.259 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.327 13.532 -1.111 1.00 0.00 H new ATOM 397 N LEU B 6 0.634 9.642 -5.905 1.00 0.00 N ATOM 398 CA LEU B 6 -0.510 9.328 -6.775 1.00 0.00 C ATOM 399 C LEU B 6 -1.571 8.510 -6.035 1.00 0.00 C ATOM 400 O LEU B 6 -1.256 7.579 -5.296 1.00 0.00 O ATOM 401 CB LEU B 6 -0.057 8.558 -8.025 1.00 0.00 C ATOM 402 CG LEU B 6 0.870 9.340 -8.968 1.00 0.00 C ATOM 403 CD1 LEU B 6 1.483 8.373 -9.973 1.00 0.00 C ATOM 404 CD2 LEU B 6 0.108 10.414 -9.746 1.00 0.00 C ATOM 0 H LEU B 6 0.933 8.845 -5.343 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.949 10.279 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.455 7.649 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.941 8.248 -8.583 1.00 0.00 H new ATOM 0 HG LEU B 6 1.635 9.823 -8.361 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.143 8.919 -10.647 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.055 7.611 -9.443 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.690 7.896 -10.549 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.797 10.946 -10.402 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.673 9.945 -10.344 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.344 11.118 -9.047 1.00 0.00 H new ATOM 416 N CYS B 7 -2.839 8.839 -6.278 1.00 0.00 N ATOM 417 CA CYS B 7 -3.991 8.315 -5.545 1.00 0.00 C ATOM 418 C CYS B 7 -5.123 7.904 -6.503 1.00 0.00 C ATOM 419 O CYS B 7 -5.354 8.572 -7.513 1.00 0.00 O ATOM 420 CB CYS B 7 -4.466 9.412 -4.584 1.00 0.00 C ATOM 421 SG CYS B 7 -3.257 10.017 -3.366 1.00 0.00 S ATOM 0 H CYS B 7 -3.101 9.497 -7.012 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.705 7.420 -4.993 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.803 10.261 -5.178 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.334 9.037 -4.043 1.00 0.00 H new ATOM 426 N GLY B 8 -5.848 6.825 -6.184 1.00 0.00 N ATOM 427 CA GLY B 8 -7.026 6.375 -6.942 1.00 0.00 C ATOM 428 C GLY B 8 -6.766 6.212 -8.445 1.00 0.00 C ATOM 429 O GLY B 8 -5.778 5.598 -8.856 1.00 0.00 O ATOM 0 H GLY B 8 -5.632 6.232 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -7.367 5.423 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.835 7.091 -6.798 1.00 0.00 H new ATOM 433 N SER B 9 -7.633 6.798 -9.276 1.00 0.00 N ATOM 434 CA SER B 9 -7.539 6.745 -10.744 1.00 0.00 C ATOM 435 C SER B 9 -6.212 7.285 -11.296 1.00 0.00 C ATOM 436 O SER B 9 -5.691 6.729 -12.260 1.00 0.00 O ATOM 437 CB SER B 9 -8.691 7.537 -11.375 1.00 0.00 C ATOM 438 OG SER B 9 -9.944 7.068 -10.893 1.00 0.00 O ATOM 0 H SER B 9 -8.436 7.333 -8.945 1.00 0.00 H new ATOM 0 HA SER B 9 -7.597 5.689 -11.008 1.00 0.00 H new ATOM 0 HB2 SER B 9 -8.580 8.597 -11.144 1.00 0.00 H new ATOM 0 HB3 SER B 9 -8.654 7.441 -12.460 1.00 0.00 H new ATOM 0 HG SER B 9 -10.667 7.585 -11.305 1.00 0.00 H new ATOM 444 N HIS B 10 -5.612 8.305 -10.668 1.00 0.00 N ATOM 445 CA HIS B 10 -4.325 8.880 -11.101 1.00 0.00 C ATOM 446 C HIS B 10 -3.164 7.885 -10.968 1.00 0.00 C ATOM 447 O HIS B 10 -2.253 7.877 -11.795 1.00 0.00 O ATOM 448 CB HIS B 10 -4.032 10.152 -10.288 1.00 0.00 C ATOM 449 CG HIS B 10 -5.092 11.226 -10.396 1.00 0.00 C ATOM 450 ND1 HIS B 10 -5.624 11.947 -9.323 1.00 0.00 N ATOM 451 CD2 HIS B 10 -5.686 11.654 -11.550 1.00 0.00 C ATOM 452 CE1 HIS B 10 -6.529 12.789 -9.853 1.00 0.00 C ATOM 453 NE2 HIS B 10 -6.586 12.633 -11.187 1.00 0.00 N ATOM 0 H HIS B 10 -6.004 8.758 -9.843 1.00 0.00 H new ATOM 0 HA HIS B 10 -4.411 9.126 -12.159 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -3.916 9.879 -9.239 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -3.079 10.566 -10.617 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -5.489 11.296 -12.550 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -7.125 13.490 -9.288 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -7.192 13.151 -11.823 1.00 0.00 H new ATOM 461 N LEU B 11 -3.226 7.009 -9.962 1.00 0.00 N ATOM 462 CA LEU B 11 -2.274 5.917 -9.734 1.00 0.00 C ATOM 463 C LEU B 11 -2.387 4.862 -10.853 1.00 0.00 C ATOM 464 O LEU B 11 -1.391 4.479 -11.470 1.00 0.00 O ATOM 465 CB LEU B 11 -2.582 5.341 -8.333 1.00 0.00 C ATOM 466 CG LEU B 11 -1.399 4.745 -7.559 1.00 0.00 C ATOM 467 CD1 LEU B 11 -1.914 4.202 -6.223 1.00 0.00 C ATOM 468 CD2 LEU B 11 -0.688 3.628 -8.313 1.00 0.00 C ATOM 0 H LEU B 11 -3.965 7.041 -9.260 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.242 6.267 -9.762 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.020 6.134 -7.727 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.342 4.567 -8.442 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.669 5.541 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.084 3.774 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.362 5.013 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.663 3.432 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.138 3.251 -7.710 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.391 2.819 -8.513 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.302 4.014 -9.256 1.00 0.00 H new ATOM 480 N VAL B 12 -3.622 4.456 -11.165 1.00 0.00 N ATOM 481 CA VAL B 12 -3.943 3.476 -12.222 1.00 0.00 C ATOM 482 C VAL B 12 -3.581 4.004 -13.617 1.00 0.00 C ATOM 483 O VAL B 12 -3.015 3.270 -14.425 1.00 0.00 O ATOM 484 CB VAL B 12 -5.430 3.067 -12.157 1.00 0.00 C ATOM 485 CG1 VAL B 12 -5.792 2.023 -13.221 1.00 0.00 C ATOM 486 CG2 VAL B 12 -5.777 2.458 -10.789 1.00 0.00 C ATOM 0 H VAL B 12 -4.450 4.805 -10.681 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.334 2.590 -12.042 1.00 0.00 H new ATOM 0 HB VAL B 12 -5.996 3.982 -12.331 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.848 1.767 -13.135 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.597 2.431 -14.213 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.189 1.128 -13.072 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.831 2.179 -10.772 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.164 1.573 -10.619 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.582 3.190 -10.005 1.00 0.00 H new ATOM 496 N GLU B 13 -3.835 5.284 -13.901 1.00 0.00 N ATOM 497 CA GLU B 13 -3.442 5.919 -15.166 1.00 0.00 C ATOM 498 C GLU B 13 -1.916 5.994 -15.321 1.00 0.00 C ATOM 499 O GLU B 13 -1.395 5.682 -16.392 1.00 0.00 O ATOM 500 CB GLU B 13 -4.055 7.325 -15.276 1.00 0.00 C ATOM 501 CG GLU B 13 -5.553 7.285 -15.603 1.00 0.00 C ATOM 502 CD GLU B 13 -6.133 8.710 -15.698 1.00 0.00 C ATOM 503 OE1 GLU B 13 -6.492 9.302 -14.650 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 -6.240 9.249 -16.827 1.00 0.00 O ATOM 0 H GLU B 13 -4.320 5.912 -13.260 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.826 5.296 -15.974 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.905 7.858 -14.337 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.532 7.887 -16.049 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.710 6.761 -16.546 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.082 6.723 -14.834 1.00 0.00 H new ATOM 511 N ALA B 14 -1.176 6.341 -14.264 1.00 0.00 N ATOM 512 CA ALA B 14 0.280 6.468 -14.335 1.00 0.00 C ATOM 513 C ALA B 14 0.988 5.125 -14.590 1.00 0.00 C ATOM 514 O ALA B 14 1.945 5.076 -15.368 1.00 0.00 O ATOM 515 CB ALA B 14 0.771 7.110 -13.042 1.00 0.00 C ATOM 0 H ALA B 14 -1.566 6.540 -13.343 1.00 0.00 H new ATOM 0 HA ALA B 14 0.529 7.097 -15.189 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.856 7.213 -13.076 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.316 8.094 -12.929 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.493 6.482 -12.196 1.00 0.00 H new ATOM 521 N LEU B 15 0.504 4.025 -13.993 1.00 0.00 N ATOM 522 CA LEU B 15 1.087 2.696 -14.214 1.00 0.00 C ATOM 523 C LEU B 15 0.716 2.140 -15.596 1.00 0.00 C ATOM 524 O LEU B 15 1.552 1.523 -16.252 1.00 0.00 O ATOM 525 CB LEU B 15 0.798 1.747 -13.034 1.00 0.00 C ATOM 526 CG LEU B 15 -0.649 1.253 -12.851 1.00 0.00 C ATOM 527 CD1 LEU B 15 -0.973 0.012 -13.691 1.00 0.00 C ATOM 528 CD2 LEU B 15 -0.892 0.875 -11.392 1.00 0.00 C ATOM 0 H LEU B 15 -0.290 4.032 -13.353 1.00 0.00 H new ATOM 0 HA LEU B 15 2.173 2.791 -14.235 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.440 0.873 -13.142 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.099 2.252 -12.116 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.286 2.077 -13.174 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.007 -0.285 -13.517 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.834 0.241 -14.748 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.308 -0.804 -13.407 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.918 0.527 -11.272 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.203 0.081 -11.102 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.728 1.747 -10.758 1.00 0.00 H new ATOM 540 N TYR B 16 -0.489 2.440 -16.088 1.00 0.00 N ATOM 541 CA TYR B 16 -0.905 2.138 -17.459 1.00 0.00 C ATOM 542 C TYR B 16 -0.028 2.874 -18.490 1.00 0.00 C ATOM 543 O TYR B 16 0.402 2.270 -19.475 1.00 0.00 O ATOM 544 CB TYR B 16 -2.397 2.487 -17.600 1.00 0.00 C ATOM 545 CG TYR B 16 -2.843 2.882 -18.992 1.00 0.00 C ATOM 546 CD1 TYR B 16 -3.106 1.903 -19.967 1.00 0.00 C ATOM 547 CD2 TYR B 16 -2.962 4.249 -19.308 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.491 2.293 -21.265 1.00 0.00 C ATOM 549 CE2 TYR B 16 -3.344 4.644 -20.604 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.611 3.663 -21.589 1.00 0.00 C ATOM 551 OH TYR B 16 -3.980 4.030 -22.847 1.00 0.00 O ATOM 0 H TYR B 16 -1.211 2.905 -15.538 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.769 1.076 -17.664 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.986 1.628 -17.278 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.627 3.305 -16.917 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.013 0.855 -19.721 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.760 4.996 -18.555 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.695 1.543 -22.014 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.433 5.693 -20.846 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.017 5.008 -22.905 1.00 0.00 H new ATOM 561 N LEU B 17 0.308 4.145 -18.241 1.00 0.00 N ATOM 562 CA LEU B 17 1.114 4.965 -19.150 1.00 0.00 C ATOM 563 C LEU B 17 2.575 4.499 -19.218 1.00 0.00 C ATOM 564 O LEU B 17 3.124 4.350 -20.311 1.00 0.00 O ATOM 565 CB LEU B 17 1.045 6.439 -18.711 1.00 0.00 C ATOM 566 CG LEU B 17 -0.254 7.169 -19.102 1.00 0.00 C ATOM 567 CD1 LEU B 17 -0.320 8.522 -18.392 1.00 0.00 C ATOM 568 CD2 LEU B 17 -0.350 7.419 -20.609 1.00 0.00 C ATOM 0 H LEU B 17 0.025 4.637 -17.394 1.00 0.00 H new ATOM 0 HA LEU B 17 0.699 4.855 -20.152 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.160 6.487 -17.628 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.890 6.973 -19.145 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.081 6.525 -18.803 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.240 9.035 -18.671 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.304 8.368 -17.313 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.537 9.129 -18.685 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.283 7.936 -20.833 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.491 8.033 -20.930 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.327 6.466 -21.138 1.00 0.00 H new ATOM 580 N VAL B 18 3.204 4.241 -18.065 1.00 0.00 N ATOM 581 CA VAL B 18 4.623 3.842 -18.003 1.00 0.00 C ATOM 582 C VAL B 18 4.847 2.399 -18.474 1.00 0.00 C ATOM 583 O VAL B 18 5.885 2.092 -19.062 1.00 0.00 O ATOM 584 CB VAL B 18 5.178 4.101 -16.590 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.720 3.090 -15.544 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.701 4.099 -16.542 1.00 0.00 C ATOM 0 H VAL B 18 2.751 4.301 -17.153 1.00 0.00 H new ATOM 0 HA VAL B 18 5.184 4.460 -18.704 1.00 0.00 H new ATOM 0 HB VAL B 18 4.777 5.086 -16.353 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.155 3.344 -14.577 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.633 3.111 -15.469 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.044 2.091 -15.837 1.00 0.00 H new ATOM 0 HG21 VAL B 18 7.033 4.287 -15.521 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.074 3.130 -16.873 1.00 0.00 H new ATOM 0 HG23 VAL B 18 7.087 4.879 -17.198 1.00 0.00 H new ATOM 596 N CYS B 19 3.857 1.523 -18.276 1.00 0.00 N ATOM 597 CA CYS B 19 3.920 0.114 -18.674 1.00 0.00 C ATOM 598 C CYS B 19 3.505 -0.113 -20.143 1.00 0.00 C ATOM 599 O CYS B 19 4.038 -0.998 -20.815 1.00 0.00 O ATOM 600 CB CYS B 19 3.038 -0.681 -17.708 1.00 0.00 C ATOM 601 SG CYS B 19 3.286 -2.470 -17.722 1.00 0.00 S ATOM 0 H CYS B 19 2.977 1.777 -17.828 1.00 0.00 H new ATOM 0 HA CYS B 19 4.953 -0.229 -18.617 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.215 -0.315 -16.697 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.994 -0.475 -17.943 1.00 0.00 H new ATOM 606 N GLY B 20 2.582 0.708 -20.659 1.00 0.00 N ATOM 607 CA GLY B 20 2.070 0.655 -22.034 1.00 0.00 C ATOM 608 C GLY B 20 2.984 1.274 -23.106 1.00 0.00 C ATOM 609 O GLY B 20 2.632 1.254 -24.286 1.00 0.00 O ATOM 0 H GLY B 20 2.156 1.455 -20.110 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.887 -0.387 -22.295 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.107 1.165 -22.064 1.00 0.00 H new ATOM 613 N GLU B 21 4.144 1.825 -22.731 1.00 0.00 N ATOM 614 CA GLU B 21 5.116 2.406 -23.668 1.00 0.00 C ATOM 615 C GLU B 21 5.706 1.334 -24.610 1.00 0.00 C ATOM 616 O GLU B 21 6.296 0.347 -24.161 1.00 0.00 O ATOM 617 CB GLU B 21 6.214 3.144 -22.879 1.00 0.00 C ATOM 618 CG GLU B 21 7.203 3.876 -23.796 1.00 0.00 C ATOM 619 CD GLU B 21 8.229 4.683 -22.977 1.00 0.00 C ATOM 620 OE1 GLU B 21 9.280 4.117 -22.588 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 7.998 5.891 -22.729 1.00 0.00 O ATOM 0 H GLU B 21 4.439 1.881 -21.756 1.00 0.00 H new ATOM 0 HA GLU B 21 4.604 3.127 -24.305 1.00 0.00 H new ATOM 0 HB2 GLU B 21 5.751 3.862 -22.202 1.00 0.00 H new ATOM 0 HB3 GLU B 21 6.757 2.428 -22.261 1.00 0.00 H new ATOM 0 HG2 GLU B 21 7.723 3.153 -24.425 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.658 4.545 -24.462 1.00 0.00 H new ATOM 628 N ARG B 22 5.565 1.542 -25.928 1.00 0.00 N ATOM 629 CA ARG B 22 6.021 0.600 -26.975 1.00 0.00 C ATOM 630 C ARG B 22 7.531 0.661 -27.233 1.00 0.00 C ATOM 631 O ARG B 22 8.136 -0.336 -27.627 1.00 0.00 O ATOM 632 CB ARG B 22 5.255 0.875 -28.280 1.00 0.00 C ATOM 633 CG ARG B 22 3.745 0.675 -28.162 1.00 0.00 C ATOM 634 CD ARG B 22 3.103 1.011 -29.508 1.00 0.00 C ATOM 635 NE ARG B 22 1.647 0.849 -29.423 1.00 0.00 N ATOM 636 CZ ARG B 22 0.760 1.030 -30.385 1.00 0.00 C ATOM 637 NH1 ARG B 22 1.108 1.397 -31.587 1.00 0.00 N ATOM 638 NH2 ARG B 22 -0.508 0.846 -30.155 1.00 0.00 N1+ ATOM 0 H ARG B 22 5.125 2.380 -26.307 1.00 0.00 H new ATOM 0 HA ARG B 22 5.811 -0.406 -26.611 1.00 0.00 H new ATOM 0 HB2 ARG B 22 5.453 1.899 -28.598 1.00 0.00 H new ATOM 0 HB3 ARG B 22 5.639 0.219 -29.061 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.520 -0.354 -27.882 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.339 1.315 -27.379 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.347 2.035 -29.792 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.505 0.360 -30.285 1.00 0.00 H new ATOM 0 HE ARG B 22 1.277 0.564 -28.516 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.091 1.553 -31.808 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.397 1.528 -32.306 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.822 0.560 -29.227 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -1.188 0.988 -30.902 1.00 0.00 H new ATOM 652 N GLY B 23 8.127 1.832 -27.005 1.00 0.00 N ATOM 653 CA GLY B 23 9.568 2.093 -27.138 1.00 0.00 C ATOM 654 C GLY B 23 9.954 3.576 -27.080 1.00 0.00 C ATOM 655 O GLY B 23 11.086 3.911 -26.725 1.00 0.00 O ATOM 0 H GLY B 23 7.604 2.657 -26.712 1.00 0.00 H new ATOM 0 HA2 GLY B 23 10.095 1.562 -26.345 1.00 0.00 H new ATOM 0 HA3 GLY B 23 9.914 1.677 -28.084 1.00 0.00 H new HETATM 659 N DHI B 24 9.009 4.466 -27.398 1.00 0.00 N HETATM 660 CA DHI B 24 9.197 5.927 -27.423 1.00 0.00 C HETATM 661 C DHI B 24 9.925 6.387 -28.696 1.00 0.00 C HETATM 662 O DHI B 24 10.939 7.084 -28.622 1.00 0.00 O HETATM 663 CB DHI B 24 7.850 6.645 -27.244 1.00 0.00 C HETATM 664 CG DHI B 24 6.656 5.937 -27.836 1.00 0.00 C HETATM 665 ND1 DHI B 24 6.500 5.520 -29.162 1.00 0.00 N HETATM 666 CD2 DHI B 24 5.569 5.541 -27.120 1.00 0.00 C HETATM 667 CE1 DHI B 24 5.302 4.912 -29.217 1.00 0.00 C HETATM 668 NE2 DHI B 24 4.721 4.908 -28.003 1.00 0.00 N HETATM 0 HE2 DHI B 24 3.811 4.506 -27.776 1.00 0.00 H new HETATM 0 HE1 DHI B 24 4.863 4.483 -30.118 1.00 0.00 H new HETATM 0 HD2 DHI B 24 5.401 5.695 -26.054 1.00 0.00 H new HETATM 0 HD1 DHI B 24 7.159 5.650 -29.929 1.00 0.00 H new HETATM 0 HB3 DHI B 24 7.674 6.790 -26.178 1.00 0.00 H new HETATM 0 HB2 DHI B 24 7.923 7.636 -27.693 1.00 0.00 H new HETATM 0 HA DHI B 24 9.837 6.199 -26.584 1.00 0.00 H new ATOM 676 N PHE B 25 9.439 5.946 -29.858 1.00 0.00 N ATOM 677 CA PHE B 25 10.066 6.126 -31.171 1.00 0.00 C ATOM 678 C PHE B 25 10.013 7.581 -31.684 1.00 0.00 C ATOM 679 O PHE B 25 9.218 8.404 -31.217 1.00 0.00 O ATOM 680 CB PHE B 25 9.414 5.155 -32.167 1.00 0.00 C ATOM 681 CG PHE B 25 9.352 3.713 -31.687 1.00 0.00 C ATOM 682 CD1 PHE B 25 10.534 2.961 -31.548 1.00 0.00 C ATOM 683 CD2 PHE B 25 8.113 3.129 -31.355 1.00 0.00 C ATOM 684 CE1 PHE B 25 10.478 1.634 -31.082 1.00 0.00 C ATOM 685 CE2 PHE B 25 8.058 1.802 -30.894 1.00 0.00 C ATOM 686 CZ PHE B 25 9.240 1.053 -30.756 1.00 0.00 C ATOM 0 H PHE B 25 8.560 5.431 -29.913 1.00 0.00 H new ATOM 0 HA PHE B 25 11.128 5.901 -31.069 1.00 0.00 H new ATOM 0 HB2 PHE B 25 8.402 5.498 -32.381 1.00 0.00 H new ATOM 0 HB3 PHE B 25 9.967 5.190 -33.105 1.00 0.00 H new ATOM 0 HD1 PHE B 25 11.486 3.404 -31.800 1.00 0.00 H new ATOM 0 HD2 PHE B 25 7.203 3.702 -31.455 1.00 0.00 H new ATOM 0 HE1 PHE B 25 11.387 1.061 -30.975 1.00 0.00 H new ATOM 0 HE2 PHE B 25 7.106 1.357 -30.645 1.00 0.00 H new ATOM 0 HZ PHE B 25 9.197 0.034 -30.401 1.00 0.00 H new ATOM 696 N TYR B 26 10.860 7.895 -32.669 1.00 0.00 N ATOM 697 CA TYR B 26 10.984 9.232 -33.266 1.00 0.00 C ATOM 698 C TYR B 26 9.728 9.661 -34.053 1.00 0.00 C ATOM 699 O TYR B 26 8.978 8.830 -34.573 1.00 0.00 O ATOM 700 CB TYR B 26 12.238 9.288 -34.153 1.00 0.00 C ATOM 701 CG TYR B 26 13.519 8.847 -33.464 1.00 0.00 C ATOM 702 CD1 TYR B 26 14.116 9.677 -32.494 1.00 0.00 C ATOM 703 CD2 TYR B 26 14.104 7.604 -33.780 1.00 0.00 C ATOM 704 CE1 TYR B 26 15.295 9.269 -31.840 1.00 0.00 C ATOM 705 CE2 TYR B 26 15.282 7.192 -33.127 1.00 0.00 C ATOM 706 CZ TYR B 26 15.881 8.022 -32.155 1.00 0.00 C ATOM 707 OH TYR B 26 17.021 7.615 -31.529 1.00 0.00 O ATOM 0 H TYR B 26 11.494 7.212 -33.084 1.00 0.00 H new ATOM 0 HA TYR B 26 11.083 9.947 -32.449 1.00 0.00 H new ATOM 0 HB2 TYR B 26 12.076 8.659 -35.028 1.00 0.00 H new ATOM 0 HB3 TYR B 26 12.367 10.309 -34.513 1.00 0.00 H new ATOM 0 HD1 TYR B 26 13.668 10.629 -32.251 1.00 0.00 H new ATOM 0 HD2 TYR B 26 13.648 6.967 -34.524 1.00 0.00 H new ATOM 0 HE1 TYR B 26 15.751 9.908 -31.099 1.00 0.00 H new ATOM 0 HE2 TYR B 26 15.728 6.239 -33.371 1.00 0.00 H new ATOM 0 HH TYR B 26 17.283 6.733 -31.867 1.00 0.00 H new ATOM 717 N THR B 27 9.508 10.976 -34.159 1.00 0.00 N ATOM 718 CA THR B 27 8.318 11.587 -34.785 1.00 0.00 C ATOM 719 C THR B 27 8.250 11.616 -36.327 1.00 0.00 C ATOM 720 O THR B 27 7.119 11.658 -36.831 1.00 0.00 O ATOM 721 CB THR B 27 8.086 13.008 -34.241 1.00 0.00 C ATOM 722 OG1 THR B 27 9.254 13.790 -34.378 1.00 0.00 O ATOM 723 CG2 THR B 27 7.711 12.998 -32.757 1.00 0.00 C ATOM 0 H THR B 27 10.168 11.668 -33.804 1.00 0.00 H new ATOM 0 HA THR B 27 7.523 10.899 -34.497 1.00 0.00 H new ATOM 0 HB THR B 27 7.266 13.429 -34.822 1.00 0.00 H new ATOM 0 HG1 THR B 27 9.088 14.690 -34.029 1.00 0.00 H new ATOM 0 HG21 THR B 27 7.556 14.021 -32.414 1.00 0.00 H new ATOM 0 HG22 THR B 27 6.794 12.426 -32.617 1.00 0.00 H new ATOM 0 HG23 THR B 27 8.515 12.540 -32.182 1.00 0.00 H new ATOM 731 N PRO B 28 9.352 11.578 -37.116 1.00 0.00 N ATOM 732 CA PRO B 28 9.280 11.605 -38.583 1.00 0.00 C ATOM 733 C PRO B 28 8.490 10.434 -39.190 1.00 0.00 C ATOM 734 O PRO B 28 8.554 9.300 -38.706 1.00 0.00 O ATOM 735 CB PRO B 28 10.728 11.630 -39.084 1.00 0.00 C ATOM 736 CG PRO B 28 11.476 12.287 -37.928 1.00 0.00 C ATOM 737 CD PRO B 28 10.744 11.725 -36.713 1.00 0.00 C ATOM 0 HA PRO B 28 8.725 12.487 -38.903 1.00 0.00 H new ATOM 0 HB2 PRO B 28 11.102 10.627 -39.289 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.827 12.202 -40.007 1.00 0.00 H new ATOM 0 HG2 PRO B 28 12.534 12.023 -37.925 1.00 0.00 H new ATOM 0 HG3 PRO B 28 11.419 13.375 -37.971 1.00 0.00 H new ATOM 0 HD2 PRO B 28 11.166 10.766 -36.412 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.834 12.396 -35.858 1.00 0.00 H new ATOM 745 N LYS B 29 7.745 10.721 -40.265 1.00 0.00 N ATOM 746 CA LYS B 29 6.846 9.798 -40.975 1.00 0.00 C ATOM 747 C LYS B 29 6.643 10.251 -42.432 1.00 0.00 C ATOM 748 O LYS B 29 6.791 11.439 -42.731 1.00 0.00 O ATOM 749 CB LYS B 29 5.506 9.692 -40.213 1.00 0.00 C ATOM 750 CG LYS B 29 4.770 11.035 -40.031 1.00 0.00 C ATOM 751 CD LYS B 29 3.434 10.887 -39.283 1.00 0.00 C ATOM 752 CE LYS B 29 3.556 10.370 -37.839 1.00 0.00 C ATOM 753 NZ LYS B 29 4.272 11.322 -36.948 1.00 0.00 N1+ ATOM 0 H LYS B 29 7.752 11.650 -40.686 1.00 0.00 H new ATOM 0 HA LYS B 29 7.297 8.806 -41.009 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.852 9.002 -40.747 1.00 0.00 H new ATOM 0 HB3 LYS B 29 5.694 9.258 -39.231 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.413 11.725 -39.484 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.586 11.479 -41.010 1.00 0.00 H new ATOM 0 HD2 LYS B 29 2.934 11.855 -39.266 1.00 0.00 H new ATOM 0 HD3 LYS B 29 2.793 10.207 -39.844 1.00 0.00 H new ATOM 0 HE2 LYS B 29 2.560 10.183 -37.439 1.00 0.00 H new ATOM 0 HE3 LYS B 29 4.082 9.415 -37.842 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 4.042 11.109 -35.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 5.298 11.229 -37.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 3.978 12.294 -37.171 1.00 0.00 H new ATOM 767 N THR B 30 6.296 9.372 -43.371 1.00 0.00 N ATOM 768 CA THR B 30 6.131 7.903 -43.259 1.00 0.00 C ATOM 769 C THR B 30 7.438 7.140 -43.494 1.00 0.00 C ATOM 770 O THR B 30 8.074 7.334 -44.556 1.00 0.00 O ATOM 771 CB THR B 30 5.039 7.388 -44.205 1.00 0.00 C ATOM 772 OG1 THR B 30 5.228 7.894 -45.512 1.00 0.00 O ATOM 773 CG2 THR B 30 3.647 7.813 -43.728 1.00 0.00 C ATOM 774 OXT THR B 30 7.831 6.358 -42.602 1.00 0.00 O1- ATOM 0 H THR B 30 6.103 9.688 -44.321 1.00 0.00 H new ATOM 0 HA THR B 30 5.824 7.712 -42.231 1.00 0.00 H new ATOM 0 HB THR B 30 5.110 6.300 -44.209 1.00 0.00 H new ATOM 0 HG1 THR B 30 6.186 7.917 -45.719 1.00 0.00 H new ATOM 0 HG21 THR B 30 2.894 7.433 -44.419 1.00 0.00 H new ATOM 0 HG22 THR B 30 3.464 7.408 -42.733 1.00 0.00 H new ATOM 0 HG23 THR B 30 3.591 8.901 -43.693 1.00 0.00 H new TER 782 THR B 30