USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 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 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 117 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-1.7) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 29:sc= 0.00125 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0337 X(o=-0.034,f=-0.3) USER MOD Single : A 62 THR OG1 : rot 140:sc= 0.0199 USER MOD Single : A 63 THR OG1 : rot 147:sc= 1.42 USER MOD Single : A 66 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 68:sc= -2.58! USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 160:sc= -0.922 (180deg=-1.3) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.41) USER MOD Single : A 95 THR OG1 : rot 56:sc= 0.431 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 98 ASN : amide:sc= -0.326 K(o=-0.33,f=-1.9!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.896 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : B 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 232 HIS : no HD1:sc= -0.0541 K(o=-0.054,f=-0.59) USER MOD Single : B 233 LYS NZ :NH3+ -157:sc= -12.3! (180deg=-14.2!) USER MOD Single : B 234 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.3) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -10.827 7.755 -4.370 1.00 0.00 N ATOM 2 CA TYR A 44 -9.368 8.057 -4.462 1.00 0.00 C ATOM 3 C TYR A 44 -8.565 7.279 -3.409 1.00 0.00 C ATOM 4 O TYR A 44 -9.059 7.013 -2.315 1.00 0.00 O ATOM 5 CB TYR A 44 -9.176 9.569 -4.290 1.00 0.00 C ATOM 6 CG TYR A 44 -8.967 10.301 -5.598 1.00 0.00 C ATOM 7 CD1 TYR A 44 -10.049 10.733 -6.360 1.00 0.00 C ATOM 8 CD2 TYR A 44 -7.688 10.558 -6.073 1.00 0.00 C ATOM 9 CE1 TYR A 44 -9.857 11.399 -7.556 1.00 0.00 C ATOM 10 CE2 TYR A 44 -7.491 11.224 -7.268 1.00 0.00 C ATOM 11 CZ TYR A 44 -8.576 11.641 -8.004 1.00 0.00 C ATOM 12 OH TYR A 44 -8.380 12.304 -9.193 1.00 0.00 O ATOM 0 HA TYR A 44 -8.994 7.743 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.049 9.984 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.318 9.747 -3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.054 10.545 -6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.833 10.232 -5.499 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.706 11.728 -8.136 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.489 11.416 -7.623 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.419 12.394 -9.363 1.00 0.00 H new ATOM 22 N CYS A 45 -7.324 6.912 -3.756 1.00 0.00 N ATOM 23 CA CYS A 45 -6.450 6.148 -2.848 1.00 0.00 C ATOM 24 C CYS A 45 -5.968 6.970 -1.644 1.00 0.00 C ATOM 25 O CYS A 45 -5.479 6.404 -0.667 1.00 0.00 O ATOM 26 CB CYS A 45 -5.239 5.601 -3.613 1.00 0.00 C ATOM 27 SG CYS A 45 -4.531 4.082 -2.897 1.00 0.00 S ATOM 0 H CYS A 45 -6.901 7.130 -4.658 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.052 5.327 -2.458 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.534 5.401 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.466 6.369 -3.646 1.00 0.00 H new ATOM 32 N HIS A 46 -6.102 8.296 -1.713 1.00 0.00 N ATOM 33 CA HIS A 46 -5.666 9.168 -0.616 1.00 0.00 C ATOM 34 C HIS A 46 -6.553 9.026 0.635 1.00 0.00 C ATOM 35 O HIS A 46 -6.195 9.528 1.698 1.00 0.00 O ATOM 36 CB HIS A 46 -5.640 10.628 -1.082 1.00 0.00 C ATOM 37 CG HIS A 46 -4.524 10.930 -2.035 1.00 0.00 C ATOM 38 ND1 HIS A 46 -3.399 11.638 -1.675 1.00 0.00 N ATOM 39 CD2 HIS A 46 -4.360 10.607 -3.339 1.00 0.00 C ATOM 40 CE1 HIS A 46 -2.589 11.738 -2.716 1.00 0.00 C ATOM 41 NE2 HIS A 46 -3.149 11.119 -3.739 1.00 0.00 N ATOM 0 H HIS A 46 -6.506 8.788 -2.510 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.660 8.855 -0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.590 10.866 -1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.550 11.278 -0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.053 10.050 -3.952 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.633 12.240 -2.727 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.748 11.035 -4.673 1.00 0.00 H new ATOM 50 N ARG A 47 -7.707 8.354 0.499 1.00 0.00 N ATOM 51 CA ARG A 47 -8.664 8.139 1.605 1.00 0.00 C ATOM 52 C ARG A 47 -9.264 9.438 2.146 1.00 0.00 C ATOM 53 O ARG A 47 -10.484 9.563 2.252 1.00 0.00 O ATOM 54 CB ARG A 47 -8.048 7.292 2.738 1.00 0.00 C ATOM 55 CG ARG A 47 -7.173 8.043 3.730 1.00 0.00 C ATOM 56 CD ARG A 47 -7.130 7.333 5.073 1.00 0.00 C ATOM 57 NE ARG A 47 -8.013 7.986 6.043 1.00 0.00 N ATOM 58 CZ ARG A 47 -9.104 7.440 6.577 1.00 0.00 C ATOM 59 NH1 ARG A 47 -9.478 6.213 6.268 1.00 0.00 N ATOM 60 NH2 ARG A 47 -9.827 8.140 7.426 1.00 0.00 N ATOM 0 H ARG A 47 -8.007 7.941 -0.384 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.492 7.575 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.858 6.813 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.453 6.497 2.288 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.163 8.134 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.556 9.055 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.429 6.292 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.108 7.328 5.453 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.773 8.934 6.332 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.928 5.663 5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.317 5.814 6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.550 9.091 7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.664 7.731 7.841 1.00 0.00 H new ATOM 74 N THR A 48 -8.406 10.386 2.481 1.00 0.00 N ATOM 75 CA THR A 48 -8.829 11.692 3.016 1.00 0.00 C ATOM 76 C THR A 48 -10.077 12.220 2.295 1.00 0.00 C ATOM 77 O THR A 48 -10.998 12.733 2.930 1.00 0.00 O ATOM 78 CB THR A 48 -7.684 12.715 2.912 1.00 0.00 C ATOM 79 OG1 THR A 48 -8.065 13.954 3.481 1.00 0.00 O ATOM 80 CG2 THR A 48 -7.233 12.989 1.493 1.00 0.00 C ATOM 0 H THR A 48 -7.395 10.284 2.394 1.00 0.00 H new ATOM 0 HA THR A 48 -9.083 11.549 4.066 1.00 0.00 H new ATOM 0 HB THR A 48 -6.855 12.261 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.323 14.590 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.424 13.720 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.880 12.063 1.038 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.069 13.382 0.915 1.00 0.00 H new ATOM 88 N THR A 49 -10.108 12.071 0.970 1.00 0.00 N ATOM 89 CA THR A 49 -11.251 12.517 0.172 1.00 0.00 C ATOM 90 C THR A 49 -11.882 11.346 -0.589 1.00 0.00 C ATOM 91 O THR A 49 -11.736 11.219 -1.806 1.00 0.00 O ATOM 92 CB THR A 49 -10.831 13.638 -0.794 1.00 0.00 C ATOM 93 OG1 THR A 49 -11.924 14.060 -1.593 1.00 0.00 O ATOM 94 CG2 THR A 49 -9.712 13.244 -1.737 1.00 0.00 C ATOM 0 H THR A 49 -9.356 11.646 0.427 1.00 0.00 H new ATOM 0 HA THR A 49 -12.004 12.916 0.851 1.00 0.00 H new ATOM 0 HB THR A 49 -10.477 14.440 -0.147 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.631 14.774 -2.197 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.471 14.085 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.830 12.967 -1.159 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.029 12.396 -2.344 1.00 0.00 H new ATOM 102 N ILE A 50 -12.591 10.492 0.147 1.00 0.00 N ATOM 103 CA ILE A 50 -13.259 9.331 -0.446 1.00 0.00 C ATOM 104 C ILE A 50 -14.777 9.530 -0.489 1.00 0.00 C ATOM 105 O ILE A 50 -15.429 9.167 -1.469 1.00 0.00 O ATOM 106 CB ILE A 50 -12.931 8.025 0.315 1.00 0.00 C ATOM 107 CG1 ILE A 50 -13.504 6.815 -0.429 1.00 0.00 C ATOM 108 CG2 ILE A 50 -13.464 8.068 1.742 1.00 0.00 C ATOM 109 CD1 ILE A 50 -12.478 5.743 -0.723 1.00 0.00 C ATOM 0 H ILE A 50 -12.719 10.581 1.155 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.880 9.239 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.846 7.929 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.309 6.382 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.945 7.151 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.218 7.136 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.010 8.903 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.546 8.195 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.955 4.918 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.684 6.160 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.054 5.378 0.213 1.00 0.00 H new ATOM 121 N GLY A 51 -15.326 10.111 0.579 1.00 0.00 N ATOM 122 CA GLY A 51 -16.760 10.350 0.648 1.00 0.00 C ATOM 123 C GLY A 51 -17.427 9.633 1.812 1.00 0.00 C ATOM 124 O GLY A 51 -16.774 8.899 2.556 1.00 0.00 O ATOM 0 H GLY A 51 -14.802 10.420 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.940 11.421 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.222 10.025 -0.284 1.00 0.00 H new ATOM 128 N ASN A 52 -18.732 9.847 1.969 1.00 0.00 N ATOM 129 CA ASN A 52 -19.495 9.217 3.050 1.00 0.00 C ATOM 130 C ASN A 52 -20.158 7.917 2.581 1.00 0.00 C ATOM 131 O ASN A 52 -20.246 7.647 1.381 1.00 0.00 O ATOM 132 CB ASN A 52 -20.555 10.186 3.592 1.00 0.00 C ATOM 133 CG ASN A 52 -19.994 11.564 3.901 1.00 0.00 C ATOM 134 OD1 ASN A 52 -20.419 12.557 3.320 1.00 0.00 O ATOM 135 ND2 ASN A 52 -19.044 11.633 4.822 1.00 0.00 N ATOM 0 H ASN A 52 -19.285 10.452 1.362 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.797 8.970 3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -21.359 10.282 2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.994 9.767 4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.639 12.536 5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -18.718 10.783 5.283 1.00 0.00 H new ATOM 142 N PHE A 53 -20.624 7.114 3.538 1.00 0.00 N ATOM 143 CA PHE A 53 -21.279 5.837 3.228 1.00 0.00 C ATOM 144 C PHE A 53 -22.753 5.838 3.650 1.00 0.00 C ATOM 145 O PHE A 53 -23.224 6.767 4.312 1.00 0.00 O ATOM 146 CB PHE A 53 -20.539 4.678 3.912 1.00 0.00 C ATOM 147 CG PHE A 53 -20.155 4.954 5.341 1.00 0.00 C ATOM 148 CD1 PHE A 53 -21.119 4.999 6.336 1.00 0.00 C ATOM 149 CD2 PHE A 53 -18.830 5.169 5.689 1.00 0.00 C ATOM 150 CE1 PHE A 53 -20.770 5.253 7.649 1.00 0.00 C ATOM 151 CE2 PHE A 53 -18.476 5.423 7.000 1.00 0.00 C ATOM 152 CZ PHE A 53 -19.447 5.465 7.981 1.00 0.00 C ATOM 0 H PHE A 53 -20.561 7.323 4.534 1.00 0.00 H new ATOM 0 HA PHE A 53 -21.240 5.703 2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -21.170 3.790 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -19.638 4.449 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.156 4.834 6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.066 5.138 4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.531 5.286 8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -17.440 5.589 7.258 1.00 0.00 H new ATOM 0 HZ PHE A 53 -19.172 5.663 9.006 1.00 0.00 H new ATOM 162 N SER A 54 -23.471 4.778 3.265 1.00 0.00 N ATOM 163 CA SER A 54 -24.889 4.633 3.598 1.00 0.00 C ATOM 164 C SER A 54 -25.433 3.273 3.146 1.00 0.00 C ATOM 165 O SER A 54 -26.071 3.166 2.096 1.00 0.00 O ATOM 166 CB SER A 54 -25.709 5.764 2.965 1.00 0.00 C ATOM 167 OG SER A 54 -27.034 5.781 3.474 1.00 0.00 O ATOM 0 H SER A 54 -23.090 4.005 2.720 1.00 0.00 H new ATOM 0 HA SER A 54 -24.981 4.692 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 54 -25.228 6.722 3.164 1.00 0.00 H new ATOM 0 HB3 SER A 54 -25.733 5.638 1.883 1.00 0.00 H new ATOM 0 HG SER A 54 -27.536 6.512 3.056 1.00 0.00 H new ATOM 173 N GLY A 55 -25.171 2.234 3.943 1.00 0.00 N ATOM 174 CA GLY A 55 -25.638 0.892 3.608 1.00 0.00 C ATOM 175 C GLY A 55 -24.593 -0.186 3.862 1.00 0.00 C ATOM 176 O GLY A 55 -23.614 0.054 4.570 1.00 0.00 O ATOM 0 H GLY A 55 -24.644 2.297 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -26.531 0.668 4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -25.929 0.867 2.558 1.00 0.00 H new ATOM 180 N PRO A 56 -24.779 -1.395 3.292 1.00 0.00 N ATOM 181 CA PRO A 56 -23.838 -2.513 3.464 1.00 0.00 C ATOM 182 C PRO A 56 -22.528 -2.305 2.697 1.00 0.00 C ATOM 183 O PRO A 56 -22.392 -1.357 1.920 1.00 0.00 O ATOM 184 CB PRO A 56 -24.613 -3.710 2.907 1.00 0.00 C ATOM 185 CG PRO A 56 -25.536 -3.119 1.899 1.00 0.00 C ATOM 186 CD PRO A 56 -25.920 -1.767 2.434 1.00 0.00 C ATOM 0 HA PRO A 56 -23.530 -2.633 4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.943 -4.440 2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -25.162 -4.228 3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -25.049 -3.031 0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -26.415 -3.748 1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -26.069 -1.046 1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -26.850 -1.810 3.001 1.00 0.00 H new ATOM 194 N TYR A 57 -21.560 -3.188 2.927 1.00 0.00 N ATOM 195 CA TYR A 57 -20.260 -3.080 2.263 1.00 0.00 C ATOM 196 C TYR A 57 -19.681 -4.446 1.873 1.00 0.00 C ATOM 197 O TYR A 57 -19.255 -5.220 2.731 1.00 0.00 O ATOM 198 CB TYR A 57 -19.279 -2.333 3.172 1.00 0.00 C ATOM 199 CG TYR A 57 -18.824 -1.007 2.607 1.00 0.00 C ATOM 200 CD1 TYR A 57 -19.541 0.157 2.852 1.00 0.00 C ATOM 201 CD2 TYR A 57 -17.681 -0.922 1.825 1.00 0.00 C ATOM 202 CE1 TYR A 57 -19.128 1.371 2.333 1.00 0.00 C ATOM 203 CE2 TYR A 57 -17.263 0.287 1.303 1.00 0.00 C ATOM 204 CZ TYR A 57 -17.990 1.428 1.559 1.00 0.00 C ATOM 205 OH TYR A 57 -17.573 2.630 1.038 1.00 0.00 O ATOM 0 H TYR A 57 -21.648 -3.981 3.563 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.411 -2.524 1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.750 -2.164 4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -18.407 -2.963 3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.435 0.114 3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.109 -1.815 1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -19.694 2.269 2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.370 0.337 0.697 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.754 2.494 0.518 1.00 0.00 H new ATOM 215 N THR A 58 -19.650 -4.725 0.568 1.00 0.00 N ATOM 216 CA THR A 58 -19.103 -5.991 0.057 1.00 0.00 C ATOM 217 C THR A 58 -17.966 -5.742 -0.938 1.00 0.00 C ATOM 218 O THR A 58 -17.815 -6.468 -1.923 1.00 0.00 O ATOM 219 CB THR A 58 -20.202 -6.834 -0.597 1.00 0.00 C ATOM 220 OG1 THR A 58 -21.017 -6.038 -1.439 1.00 0.00 O ATOM 221 CG2 THR A 58 -21.106 -7.512 0.407 1.00 0.00 C ATOM 0 H THR A 58 -19.996 -4.095 -0.156 1.00 0.00 H new ATOM 0 HA THR A 58 -18.699 -6.542 0.906 1.00 0.00 H new ATOM 0 HB THR A 58 -19.677 -7.599 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.490 -5.293 -1.795 1.00 0.00 H new ATOM 0 HG21 THR A 58 -21.863 -8.093 -0.119 1.00 0.00 H new ATOM 0 HG22 THR A 58 -20.515 -8.174 1.040 1.00 0.00 H new ATOM 0 HG23 THR A 58 -21.593 -6.758 1.026 1.00 0.00 H new ATOM 229 N TYR A 59 -17.161 -4.716 -0.663 1.00 0.00 N ATOM 230 CA TYR A 59 -16.032 -4.371 -1.514 1.00 0.00 C ATOM 231 C TYR A 59 -15.035 -3.490 -0.762 1.00 0.00 C ATOM 232 O TYR A 59 -15.318 -2.332 -0.454 1.00 0.00 O ATOM 233 CB TYR A 59 -16.509 -3.666 -2.787 1.00 0.00 C ATOM 234 CG TYR A 59 -17.735 -2.800 -2.593 1.00 0.00 C ATOM 235 CD1 TYR A 59 -17.623 -1.508 -2.099 1.00 0.00 C ATOM 236 CD2 TYR A 59 -19.003 -3.279 -2.899 1.00 0.00 C ATOM 237 CE1 TYR A 59 -18.738 -0.717 -1.914 1.00 0.00 C ATOM 238 CE2 TYR A 59 -20.124 -2.493 -2.714 1.00 0.00 C ATOM 239 CZ TYR A 59 -19.985 -1.214 -2.222 1.00 0.00 C ATOM 240 OH TYR A 59 -21.096 -0.429 -2.034 1.00 0.00 O ATOM 0 H TYR A 59 -17.274 -4.108 0.148 1.00 0.00 H new ATOM 0 HA TYR A 59 -15.529 -5.296 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -15.698 -3.048 -3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.725 -4.418 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -16.647 -1.115 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -19.114 -4.281 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -18.634 0.287 -1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.104 -2.879 -2.954 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.897 -0.927 -2.300 1.00 0.00 H new ATOM 250 N CYS A 60 -13.866 -4.050 -0.468 1.00 0.00 N ATOM 251 CA CYS A 60 -12.820 -3.321 0.248 1.00 0.00 C ATOM 252 C CYS A 60 -12.498 -2.001 -0.445 1.00 0.00 C ATOM 253 O CYS A 60 -12.418 -1.932 -1.673 1.00 0.00 O ATOM 254 CB CYS A 60 -11.550 -4.161 0.355 1.00 0.00 C ATOM 255 SG CYS A 60 -11.759 -5.735 1.241 1.00 0.00 S ATOM 0 H CYS A 60 -13.617 -5.008 -0.714 1.00 0.00 H new ATOM 0 HA CYS A 60 -13.196 -3.111 1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.182 -4.370 -0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.783 -3.574 0.859 1.00 0.00 H new ATOM 260 N ASN A 61 -12.314 -0.953 0.344 1.00 0.00 N ATOM 261 CA ASN A 61 -11.999 0.361 -0.202 1.00 0.00 C ATOM 262 C ASN A 61 -10.491 0.627 -0.176 1.00 0.00 C ATOM 263 O ASN A 61 -9.706 -0.204 0.296 1.00 0.00 O ATOM 264 CB ASN A 61 -12.749 1.452 0.570 1.00 0.00 C ATOM 265 CG ASN A 61 -12.550 1.349 2.069 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.317 0.689 2.762 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.511 1.995 2.574 1.00 0.00 N ATOM 0 H ASN A 61 -12.377 -0.985 1.362 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.323 0.380 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.411 2.431 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.813 1.386 0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.323 1.955 3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.898 2.533 1.961 1.00 0.00 H new ATOM 274 N THR A 62 -10.095 1.790 -0.690 1.00 0.00 N ATOM 275 CA THR A 62 -8.685 2.182 -0.732 1.00 0.00 C ATOM 276 C THR A 62 -8.050 2.101 0.651 1.00 0.00 C ATOM 277 O THR A 62 -8.693 2.401 1.660 1.00 0.00 O ATOM 278 CB THR A 62 -8.543 3.591 -1.308 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.568 4.443 -0.824 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.611 3.618 -2.819 1.00 0.00 C ATOM 0 H THR A 62 -10.733 2.481 -1.085 1.00 0.00 H new ATOM 0 HA THR A 62 -8.158 1.484 -1.382 1.00 0.00 H new ATOM 0 HB THR A 62 -7.560 3.937 -0.987 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.194 5.328 -0.630 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.504 4.645 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.806 3.009 -3.230 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.571 3.220 -3.147 1.00 0.00 H new ATOM 288 N THR A 63 -6.793 1.667 0.697 1.00 0.00 N ATOM 289 CA THR A 63 -6.087 1.518 1.964 1.00 0.00 C ATOM 290 C THR A 63 -4.615 1.922 1.842 1.00 0.00 C ATOM 291 O THR A 63 -3.919 1.501 0.914 1.00 0.00 O ATOM 292 CB THR A 63 -6.230 0.065 2.443 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.323 -0.055 3.336 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.009 -0.492 3.142 1.00 0.00 C ATOM 0 H THR A 63 -6.245 1.414 -0.125 1.00 0.00 H new ATOM 0 HA THR A 63 -6.531 2.188 2.700 1.00 0.00 H new ATOM 0 HB THR A 63 -6.380 -0.511 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.736 -0.937 3.230 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.201 -1.521 3.445 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.157 -0.467 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.788 0.110 4.023 1.00 0.00 H new ATOM 302 N LEU A 64 -4.152 2.740 2.791 1.00 0.00 N ATOM 303 CA LEU A 64 -2.761 3.207 2.810 1.00 0.00 C ATOM 304 C LEU A 64 -1.871 2.245 3.602 1.00 0.00 C ATOM 305 O LEU A 64 -2.368 1.352 4.285 1.00 0.00 O ATOM 306 CB LEU A 64 -2.683 4.610 3.430 1.00 0.00 C ATOM 307 CG LEU A 64 -1.896 5.647 2.625 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.793 6.813 2.242 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.700 6.143 3.423 1.00 0.00 C ATOM 0 H LEU A 64 -4.722 3.094 3.559 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.403 3.244 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.698 4.981 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.232 4.526 4.419 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.533 5.173 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.218 7.542 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.623 6.450 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.181 7.285 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.151 6.880 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.046 6.602 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.045 5.304 3.656 1.00 0.00 H new ATOM 321 N ASP A 65 -0.555 2.453 3.512 1.00 0.00 N ATOM 322 CA ASP A 65 0.420 1.616 4.226 1.00 0.00 C ATOM 323 C ASP A 65 1.677 2.416 4.613 1.00 0.00 C ATOM 324 O ASP A 65 2.042 3.388 3.945 1.00 0.00 O ATOM 325 CB ASP A 65 0.815 0.406 3.367 1.00 0.00 C ATOM 326 CG ASP A 65 -0.009 -0.839 3.639 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.756 -0.876 4.635 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.109 -1.797 2.849 1.00 0.00 O ATOM 0 H ASP A 65 -0.137 3.195 2.951 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.055 1.268 5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.716 0.672 2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.867 0.178 3.540 1.00 0.00 H new ATOM 333 N GLN A 66 2.328 1.992 5.702 1.00 0.00 N ATOM 334 CA GLN A 66 3.545 2.649 6.215 1.00 0.00 C ATOM 335 C GLN A 66 4.627 2.824 5.141 1.00 0.00 C ATOM 336 O GLN A 66 5.208 3.900 5.003 1.00 0.00 O ATOM 337 CB GLN A 66 4.120 1.839 7.381 1.00 0.00 C ATOM 338 CG GLN A 66 4.760 2.699 8.461 1.00 0.00 C ATOM 339 CD GLN A 66 3.739 3.365 9.366 1.00 0.00 C ATOM 340 OE1 GLN A 66 2.661 3.756 8.925 1.00 0.00 O ATOM 341 NE2 GLN A 66 4.078 3.504 10.638 1.00 0.00 N ATOM 0 H GLN A 66 2.031 1.187 6.254 1.00 0.00 H new ATOM 0 HA GLN A 66 3.249 3.644 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.323 1.243 7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.863 1.141 6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.425 2.081 9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.376 3.465 7.991 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.983 3.166 10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.434 3.950 11.292 1.00 0.00 H new ATOM 350 N ILE A 67 4.905 1.755 4.401 1.00 0.00 N ATOM 351 CA ILE A 67 5.931 1.772 3.350 1.00 0.00 C ATOM 352 C ILE A 67 5.464 2.498 2.072 1.00 0.00 C ATOM 353 O ILE A 67 6.208 2.580 1.092 1.00 0.00 O ATOM 354 CB ILE A 67 6.359 0.326 2.988 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.838 -0.425 4.230 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.458 0.322 1.937 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.711 -1.925 4.106 1.00 0.00 C ATOM 0 H ILE A 67 4.433 0.857 4.507 1.00 0.00 H new ATOM 0 HA ILE A 67 6.779 2.325 3.755 1.00 0.00 H new ATOM 0 HB ILE A 67 5.484 -0.179 2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.880 -0.170 4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.264 -0.089 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.736 -0.706 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.099 0.814 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.328 0.856 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.068 -2.397 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.666 -2.190 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.307 -2.272 3.262 1.00 0.00 H new ATOM 369 N GLY A 68 4.237 3.027 2.078 1.00 0.00 N ATOM 370 CA GLY A 68 3.724 3.724 0.905 1.00 0.00 C ATOM 371 C GLY A 68 2.977 2.801 -0.048 1.00 0.00 C ATOM 372 O GLY A 68 2.862 3.094 -1.239 1.00 0.00 O ATOM 0 H GLY A 68 3.594 2.986 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.057 4.524 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.553 4.193 0.375 1.00 0.00 H new ATOM 376 N THR A 69 2.459 1.687 0.479 1.00 0.00 N ATOM 377 CA THR A 69 1.711 0.722 -0.330 1.00 0.00 C ATOM 378 C THR A 69 0.231 1.096 -0.373 1.00 0.00 C ATOM 379 O THR A 69 -0.557 0.650 0.458 1.00 0.00 O ATOM 380 CB THR A 69 1.882 -0.701 0.225 1.00 0.00 C ATOM 381 OG1 THR A 69 3.254 -1.056 0.276 1.00 0.00 O ATOM 382 CG2 THR A 69 1.170 -1.769 -0.586 1.00 0.00 C ATOM 0 H THR A 69 2.545 1.432 1.463 1.00 0.00 H new ATOM 0 HA THR A 69 2.109 0.747 -1.344 1.00 0.00 H new ATOM 0 HB THR A 69 1.434 -0.669 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.344 -1.964 0.633 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.339 -2.745 -0.130 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.101 -1.558 -0.606 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.559 -1.772 -1.604 1.00 0.00 H new ATOM 390 N CYS A 70 -0.137 1.925 -1.342 1.00 0.00 N ATOM 391 CA CYS A 70 -1.527 2.360 -1.487 1.00 0.00 C ATOM 392 C CYS A 70 -2.361 1.300 -2.202 1.00 0.00 C ATOM 393 O CYS A 70 -2.187 1.062 -3.400 1.00 0.00 O ATOM 394 CB CYS A 70 -1.593 3.686 -2.252 1.00 0.00 C ATOM 395 SG CYS A 70 -2.986 4.757 -1.768 1.00 0.00 S ATOM 0 H CYS A 70 0.502 2.310 -2.038 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.941 2.505 -0.489 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.661 4.229 -2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.665 3.474 -3.319 1.00 0.00 H new ATOM 400 N TRP A 71 -3.272 0.674 -1.459 1.00 0.00 N ATOM 401 CA TRP A 71 -4.146 -0.352 -2.019 1.00 0.00 C ATOM 402 C TRP A 71 -5.404 0.307 -2.598 1.00 0.00 C ATOM 403 O TRP A 71 -6.218 0.875 -1.861 1.00 0.00 O ATOM 404 CB TRP A 71 -4.496 -1.397 -0.947 1.00 0.00 C ATOM 405 CG TRP A 71 -3.278 -1.993 -0.285 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.537 -1.431 0.719 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.649 -3.257 -0.576 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.503 -2.256 1.061 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.546 -3.376 0.290 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.903 -4.301 -1.477 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.703 -4.482 0.286 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -2.057 -5.402 -1.478 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.973 -5.480 -0.601 1.00 0.00 C ATOM 0 H TRP A 71 -3.423 0.860 -0.468 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.630 -0.872 -2.826 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.125 -0.933 -0.187 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.082 -2.195 -1.403 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.740 -0.473 1.175 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.808 -2.062 1.782 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.740 -4.250 -2.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.136 -4.547 0.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.240 -6.212 -2.169 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.335 -6.351 -0.627 1.00 0.00 H new ATOM 424 N PRO A 72 -5.551 0.282 -3.940 1.00 0.00 N ATOM 425 CA PRO A 72 -6.677 0.913 -4.632 1.00 0.00 C ATOM 426 C PRO A 72 -7.942 0.050 -4.692 1.00 0.00 C ATOM 427 O PRO A 72 -8.306 -0.467 -5.749 1.00 0.00 O ATOM 428 CB PRO A 72 -6.104 1.152 -6.028 1.00 0.00 C ATOM 429 CG PRO A 72 -5.174 0.010 -6.244 1.00 0.00 C ATOM 430 CD PRO A 72 -4.602 -0.332 -4.892 1.00 0.00 C ATOM 0 HA PRO A 72 -7.018 1.811 -4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.890 1.173 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.582 2.107 -6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.700 -0.844 -6.671 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.383 0.280 -6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.533 -1.410 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.597 0.071 -4.770 1.00 0.00 H new ATOM 438 N GLN A 73 -8.620 -0.064 -3.550 1.00 0.00 N ATOM 439 CA GLN A 73 -9.874 -0.818 -3.446 1.00 0.00 C ATOM 440 C GLN A 73 -9.677 -2.332 -3.570 1.00 0.00 C ATOM 441 O GLN A 73 -8.575 -2.822 -3.830 1.00 0.00 O ATOM 442 CB GLN A 73 -10.860 -0.340 -4.517 1.00 0.00 C ATOM 443 CG GLN A 73 -12.134 0.269 -3.951 1.00 0.00 C ATOM 444 CD GLN A 73 -13.333 0.039 -4.845 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.386 0.534 -5.966 1.00 0.00 O ATOM 446 NE2 GLN A 73 -14.304 -0.718 -4.358 1.00 0.00 N ATOM 0 H GLN A 73 -8.319 0.361 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.272 -0.628 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.366 0.398 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.124 -1.182 -5.156 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.331 -0.158 -2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.990 1.340 -3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.222 -1.112 -3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.134 -0.908 -4.920 1.00 0.00 H new ATOM 455 N SER A 74 -10.778 -3.064 -3.374 1.00 0.00 N ATOM 456 CA SER A 74 -10.783 -4.527 -3.453 1.00 0.00 C ATOM 457 C SER A 74 -12.159 -5.080 -3.077 1.00 0.00 C ATOM 458 O SER A 74 -13.125 -4.328 -2.962 1.00 0.00 O ATOM 459 CB SER A 74 -9.704 -5.111 -2.535 1.00 0.00 C ATOM 460 OG SER A 74 -8.513 -5.337 -3.254 1.00 0.00 O ATOM 0 H SER A 74 -11.689 -2.660 -3.157 1.00 0.00 H new ATOM 0 HA SER A 74 -10.564 -4.819 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.512 -4.427 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.056 -6.046 -2.100 1.00 0.00 H new ATOM 0 HG SER A 74 -8.125 -4.478 -3.523 1.00 0.00 H new ATOM 466 N ALA A 75 -12.245 -6.392 -2.880 1.00 0.00 N ATOM 467 CA ALA A 75 -13.506 -7.023 -2.508 1.00 0.00 C ATOM 468 C ALA A 75 -13.267 -8.220 -1.590 1.00 0.00 C ATOM 469 O ALA A 75 -12.149 -8.736 -1.507 1.00 0.00 O ATOM 470 CB ALA A 75 -14.282 -7.432 -3.747 1.00 0.00 C ATOM 0 H ALA A 75 -11.460 -7.036 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.103 -6.296 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.220 -7.901 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.493 -6.550 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -13.691 -8.139 -4.330 1.00 0.00 H new ATOM 476 N PRO A 76 -14.309 -8.672 -0.871 1.00 0.00 N ATOM 477 CA PRO A 76 -14.192 -9.805 0.047 1.00 0.00 C ATOM 478 C PRO A 76 -13.717 -11.075 -0.654 1.00 0.00 C ATOM 479 O PRO A 76 -14.169 -11.403 -1.750 1.00 0.00 O ATOM 480 CB PRO A 76 -15.607 -9.993 0.601 1.00 0.00 C ATOM 481 CG PRO A 76 -16.502 -9.207 -0.296 1.00 0.00 C ATOM 482 CD PRO A 76 -15.666 -8.107 -0.881 1.00 0.00 C ATOM 0 HA PRO A 76 -13.451 -9.612 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.887 -11.046 0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.675 -9.638 1.629 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.915 -9.839 -1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.346 -8.798 0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.988 -7.851 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.727 -7.196 -0.286 1.00 0.00 H new ATOM 490 N GLY A 77 -12.796 -11.779 -0.005 1.00 0.00 N ATOM 491 CA GLY A 77 -12.255 -13.010 -0.565 1.00 0.00 C ATOM 492 C GLY A 77 -11.455 -12.788 -1.839 1.00 0.00 C ATOM 493 O GLY A 77 -11.533 -13.588 -2.770 1.00 0.00 O ATOM 0 H GLY A 77 -12.411 -11.520 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.618 -13.490 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.075 -13.698 -0.774 1.00 0.00 H new ATOM 497 N ALA A 78 -10.681 -11.700 -1.879 1.00 0.00 N ATOM 498 CA ALA A 78 -9.861 -11.380 -3.046 1.00 0.00 C ATOM 499 C ALA A 78 -8.378 -11.357 -2.685 1.00 0.00 C ATOM 500 O ALA A 78 -7.949 -10.595 -1.812 1.00 0.00 O ATOM 501 CB ALA A 78 -10.282 -10.048 -3.654 1.00 0.00 C ATOM 0 H ALA A 78 -10.606 -11.027 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.018 -12.163 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.658 -9.830 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.326 -10.103 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.164 -9.257 -2.914 1.00 0.00 H new ATOM 507 N LEU A 79 -7.605 -12.199 -3.366 1.00 0.00 N ATOM 508 CA LEU A 79 -6.166 -12.298 -3.137 1.00 0.00 C ATOM 509 C LEU A 79 -5.413 -11.216 -3.907 1.00 0.00 C ATOM 510 O LEU A 79 -4.853 -11.465 -4.972 1.00 0.00 O ATOM 511 CB LEU A 79 -5.673 -13.692 -3.547 1.00 0.00 C ATOM 512 CG LEU A 79 -4.294 -14.085 -3.019 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.428 -14.890 -1.739 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.536 -14.880 -4.069 1.00 0.00 C ATOM 0 H LEU A 79 -7.956 -12.828 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.971 -12.147 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.398 -14.430 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.655 -13.746 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.733 -13.177 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.437 -15.163 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.940 -14.292 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.003 -15.794 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.555 -15.154 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.094 -15.783 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.414 -14.274 -4.967 1.00 0.00 H new ATOM 526 N VAL A 80 -5.410 -10.009 -3.356 1.00 0.00 N ATOM 527 CA VAL A 80 -4.730 -8.883 -3.983 1.00 0.00 C ATOM 528 C VAL A 80 -3.208 -9.053 -3.902 1.00 0.00 C ATOM 529 O VAL A 80 -2.579 -8.723 -2.890 1.00 0.00 O ATOM 530 CB VAL A 80 -5.170 -7.554 -3.334 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.372 -6.387 -3.881 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.654 -7.331 -3.561 1.00 0.00 C ATOM 0 H VAL A 80 -5.872 -9.784 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.010 -8.857 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.979 -7.618 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.704 -5.464 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.313 -6.541 -3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.524 -6.315 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.955 -6.391 -3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.856 -7.291 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.217 -8.151 -3.116 1.00 0.00 H new ATOM 542 N GLU A 81 -2.634 -9.601 -4.976 1.00 0.00 N ATOM 543 CA GLU A 81 -1.194 -9.862 -5.053 1.00 0.00 C ATOM 544 C GLU A 81 -0.443 -8.772 -5.820 1.00 0.00 C ATOM 545 O GLU A 81 -0.959 -8.202 -6.784 1.00 0.00 O ATOM 546 CB GLU A 81 -0.949 -11.228 -5.707 1.00 0.00 C ATOM 547 CG GLU A 81 -1.176 -11.248 -7.217 1.00 0.00 C ATOM 548 CD GLU A 81 -2.608 -11.575 -7.592 1.00 0.00 C ATOM 549 OE1 GLU A 81 -2.970 -12.770 -7.562 1.00 0.00 O ATOM 550 OE2 GLU A 81 -3.365 -10.636 -7.914 1.00 0.00 O ATOM 0 H GLU A 81 -3.150 -9.875 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.807 -9.862 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.075 -11.539 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.605 -11.964 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.909 -10.276 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.510 -11.982 -7.670 1.00 0.00 H new ATOM 557 N ARG A 82 0.786 -8.492 -5.387 1.00 0.00 N ATOM 558 CA ARG A 82 1.616 -7.476 -6.035 1.00 0.00 C ATOM 559 C ARG A 82 3.040 -7.469 -5.473 1.00 0.00 C ATOM 560 O ARG A 82 3.287 -7.956 -4.365 1.00 0.00 O ATOM 561 CB ARG A 82 0.982 -6.087 -5.869 1.00 0.00 C ATOM 562 CG ARG A 82 0.781 -5.663 -4.419 1.00 0.00 C ATOM 563 CD ARG A 82 -0.201 -4.508 -4.312 1.00 0.00 C ATOM 564 NE ARG A 82 0.381 -3.245 -4.787 1.00 0.00 N ATOM 565 CZ ARG A 82 -0.331 -2.203 -5.197 1.00 0.00 C ATOM 566 NH1 ARG A 82 -1.647 -2.235 -5.136 1.00 0.00 N ATOM 567 NH2 ARG A 82 0.276 -1.128 -5.664 1.00 0.00 N ATOM 0 H ARG A 82 1.228 -8.953 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 82 1.674 -7.724 -7.095 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.612 -5.350 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.017 -6.077 -6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.415 -6.509 -3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.738 -5.370 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -1.094 -4.737 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.516 -4.395 -3.275 1.00 0.00 H new ATOM 0 HE ARG A 82 1.398 -3.164 -4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.121 -3.062 -4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.192 -1.433 -5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.294 -1.097 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.273 -0.328 -5.979 1.00 0.00 H new ATOM 581 N PRO A 83 4.003 -6.900 -6.227 1.00 0.00 N ATOM 582 CA PRO A 83 5.397 -6.814 -5.780 1.00 0.00 C ATOM 583 C PRO A 83 5.499 -6.054 -4.456 1.00 0.00 C ATOM 584 O PRO A 83 4.974 -4.944 -4.330 1.00 0.00 O ATOM 585 CB PRO A 83 6.100 -6.048 -6.912 1.00 0.00 C ATOM 586 CG PRO A 83 5.003 -5.382 -7.673 1.00 0.00 C ATOM 587 CD PRO A 83 3.811 -6.285 -7.551 1.00 0.00 C ATOM 0 HA PRO A 83 5.842 -7.792 -5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.804 -5.317 -6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.669 -6.724 -7.551 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.788 -4.394 -7.265 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.281 -5.242 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.875 -5.729 -7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.786 -7.032 -8.344 1.00 0.00 H new ATOM 595 N CYS A 84 6.151 -6.657 -3.466 1.00 0.00 N ATOM 596 CA CYS A 84 6.286 -6.020 -2.155 1.00 0.00 C ATOM 597 C CYS A 84 7.398 -4.978 -2.153 1.00 0.00 C ATOM 598 O CYS A 84 8.436 -5.162 -2.792 1.00 0.00 O ATOM 599 CB CYS A 84 6.551 -7.062 -1.068 1.00 0.00 C ATOM 600 SG CYS A 84 8.172 -7.878 -1.193 1.00 0.00 S ATOM 0 H CYS A 84 6.590 -7.575 -3.542 1.00 0.00 H new ATOM 0 HA CYS A 84 5.343 -5.517 -1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 84 6.474 -6.581 -0.093 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.771 -7.822 -1.111 1.00 0.00 H new ATOM 605 N PRO A 85 7.200 -3.863 -1.423 1.00 0.00 N ATOM 606 CA PRO A 85 8.201 -2.786 -1.335 1.00 0.00 C ATOM 607 C PRO A 85 9.481 -3.226 -0.610 1.00 0.00 C ATOM 608 O PRO A 85 9.857 -2.665 0.422 1.00 0.00 O ATOM 609 CB PRO A 85 7.473 -1.693 -0.547 1.00 0.00 C ATOM 610 CG PRO A 85 6.432 -2.414 0.237 1.00 0.00 C ATOM 611 CD PRO A 85 5.993 -3.561 -0.628 1.00 0.00 C ATOM 0 HA PRO A 85 8.542 -2.463 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.159 -1.155 0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.025 -0.956 -1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.833 -2.770 1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.594 -1.758 0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.678 -4.418 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.150 -3.287 -1.263 1.00 0.00 H new ATOM 619 N GLU A 86 10.152 -4.235 -1.165 1.00 0.00 N ATOM 620 CA GLU A 86 11.386 -4.751 -0.577 1.00 0.00 C ATOM 621 C GLU A 86 12.558 -3.777 -0.755 1.00 0.00 C ATOM 622 O GLU A 86 13.587 -3.912 -0.084 1.00 0.00 O ATOM 623 CB GLU A 86 11.732 -6.124 -1.172 1.00 0.00 C ATOM 624 CG GLU A 86 12.029 -7.162 -0.101 1.00 0.00 C ATOM 625 CD GLU A 86 12.756 -8.379 -0.613 1.00 0.00 C ATOM 626 OE1 GLU A 86 12.086 -9.327 -1.063 1.00 0.00 O ATOM 627 OE2 GLU A 86 13.997 -8.392 -0.537 1.00 0.00 O ATOM 0 H GLU A 86 9.862 -4.710 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 86 11.215 -4.862 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.902 -6.469 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.597 -6.025 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.626 -6.698 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.091 -7.477 0.356 1.00 0.00 H new ATOM 634 N TYR A 87 12.413 -2.798 -1.654 1.00 0.00 N ATOM 635 CA TYR A 87 13.479 -1.830 -1.888 1.00 0.00 C ATOM 636 C TYR A 87 12.942 -0.425 -2.176 1.00 0.00 C ATOM 637 O TYR A 87 12.256 -0.194 -3.173 1.00 0.00 O ATOM 638 CB TYR A 87 14.376 -2.309 -3.032 1.00 0.00 C ATOM 639 CG TYR A 87 13.638 -2.583 -4.324 1.00 0.00 C ATOM 640 CD1 TYR A 87 12.900 -3.748 -4.488 1.00 0.00 C ATOM 641 CD2 TYR A 87 13.675 -1.678 -5.374 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.221 -4.003 -5.663 1.00 0.00 C ATOM 643 CE2 TYR A 87 12.996 -1.923 -6.553 1.00 0.00 C ATOM 644 CZ TYR A 87 12.271 -3.088 -6.691 1.00 0.00 C ATOM 645 OH TYR A 87 11.587 -3.332 -7.861 1.00 0.00 O ATOM 0 H TYR A 87 11.578 -2.659 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 87 14.065 -1.760 -0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.143 -1.557 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.890 -3.218 -2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.856 -4.467 -3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.244 -0.766 -5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.654 -4.915 -5.775 1.00 0.00 H new ATOM 0 HE2 TYR A 87 13.033 -1.207 -7.361 1.00 0.00 H new ATOM 0 HH TYR A 87 11.726 -2.587 -8.483 1.00 0.00 H new ATOM 655 N PHE A 88 13.284 0.515 -1.294 1.00 0.00 N ATOM 656 CA PHE A 88 12.877 1.912 -1.431 1.00 0.00 C ATOM 657 C PHE A 88 14.104 2.833 -1.307 1.00 0.00 C ATOM 658 O PHE A 88 13.990 4.010 -0.962 1.00 0.00 O ATOM 659 CB PHE A 88 11.817 2.263 -0.377 1.00 0.00 C ATOM 660 CG PHE A 88 12.194 1.892 1.034 1.00 0.00 C ATOM 661 CD1 PHE A 88 13.132 2.639 1.728 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.609 0.800 1.668 1.00 0.00 C ATOM 663 CE1 PHE A 88 13.482 2.310 3.022 1.00 0.00 C ATOM 664 CE2 PHE A 88 11.957 0.470 2.962 1.00 0.00 C ATOM 665 CZ PHE A 88 12.895 1.226 3.640 1.00 0.00 C ATOM 0 H PHE A 88 13.850 0.329 -0.466 1.00 0.00 H new ATOM 0 HA PHE A 88 12.436 2.060 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.623 3.335 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.885 1.760 -0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.595 3.490 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.876 0.206 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.215 2.901 3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.496 -0.379 3.445 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.168 0.968 4.653 1.00 0.00 H new ATOM 675 N ASN A 89 15.280 2.266 -1.600 1.00 0.00 N ATOM 676 CA ASN A 89 16.549 2.992 -1.539 1.00 0.00 C ATOM 677 C ASN A 89 17.365 2.748 -2.810 1.00 0.00 C ATOM 678 O ASN A 89 17.730 3.686 -3.516 1.00 0.00 O ATOM 679 CB ASN A 89 17.355 2.544 -0.312 1.00 0.00 C ATOM 680 CG ASN A 89 17.832 3.709 0.528 1.00 0.00 C ATOM 681 OD1 ASN A 89 17.434 3.861 1.677 1.00 0.00 O ATOM 682 ND2 ASN A 89 18.699 4.534 -0.039 1.00 0.00 N ATOM 0 H ASN A 89 15.376 1.292 -1.886 1.00 0.00 H new ATOM 0 HA ASN A 89 16.334 4.057 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.740 1.886 0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.216 1.961 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.061 5.332 0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.005 4.372 -0.998 1.00 0.00 H new ATOM 689 N GLY A 90 17.643 1.472 -3.090 1.00 0.00 N ATOM 690 CA GLY A 90 18.414 1.109 -4.275 1.00 0.00 C ATOM 691 C GLY A 90 19.029 -0.276 -4.173 1.00 0.00 C ATOM 692 O GLY A 90 20.219 -0.452 -4.427 1.00 0.00 O ATOM 0 H GLY A 90 17.348 0.682 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.767 1.151 -5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.205 1.843 -4.427 1.00 0.00 H new ATOM 696 N ILE A 91 18.213 -1.258 -3.796 1.00 0.00 N ATOM 697 CA ILE A 91 18.677 -2.640 -3.654 1.00 0.00 C ATOM 698 C ILE A 91 17.596 -3.614 -4.126 1.00 0.00 C ATOM 699 O ILE A 91 16.493 -3.194 -4.454 1.00 0.00 O ATOM 700 CB ILE A 91 19.069 -2.958 -2.190 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.569 -1.698 -1.480 1.00 0.00 C ATOM 702 CG2 ILE A 91 20.144 -4.032 -2.139 1.00 0.00 C ATOM 703 CD1 ILE A 91 19.782 -1.877 0.003 1.00 0.00 C ATOM 0 H ILE A 91 17.225 -1.124 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 91 19.564 -2.757 -4.276 1.00 0.00 H new ATOM 0 HB ILE A 91 18.179 -3.326 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.507 -1.383 -1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 91 18.851 -0.893 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.403 -4.238 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.771 -4.943 -2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 91 21.030 -3.686 -2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.136 -0.941 0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 91 18.841 -2.161 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.523 -2.658 0.172 1.00 0.00 H new ATOM 715 N LYS A 92 17.920 -4.908 -4.170 1.00 0.00 N ATOM 716 CA LYS A 92 16.973 -5.935 -4.618 1.00 0.00 C ATOM 717 C LYS A 92 16.792 -5.872 -6.134 1.00 0.00 C ATOM 718 O LYS A 92 16.370 -4.858 -6.688 1.00 0.00 O ATOM 719 CB LYS A 92 15.624 -5.801 -3.903 1.00 0.00 C ATOM 720 CG LYS A 92 15.467 -6.747 -2.722 1.00 0.00 C ATOM 721 CD LYS A 92 16.017 -6.138 -1.440 1.00 0.00 C ATOM 722 CE LYS A 92 16.554 -7.204 -0.496 1.00 0.00 C ATOM 723 NZ LYS A 92 18.002 -7.486 -0.729 1.00 0.00 N ATOM 0 H LYS A 92 18.834 -5.272 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 92 17.388 -6.909 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.507 -4.775 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.823 -5.989 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.413 -6.990 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.985 -7.682 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.812 -5.434 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.231 -5.571 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.410 -6.880 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.981 -8.123 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.407 -7.940 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.105 -8.120 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.503 -6.594 -0.917 1.00 0.00 H new ATOM 737 N TYR A 93 17.157 -6.959 -6.792 1.00 0.00 N ATOM 738 CA TYR A 93 17.091 -7.052 -8.245 1.00 0.00 C ATOM 739 C TYR A 93 16.732 -8.476 -8.694 1.00 0.00 C ATOM 740 O TYR A 93 17.406 -9.060 -9.544 1.00 0.00 O ATOM 741 CB TYR A 93 18.445 -6.616 -8.838 1.00 0.00 C ATOM 742 CG TYR A 93 19.641 -6.918 -7.942 1.00 0.00 C ATOM 743 CD1 TYR A 93 19.813 -6.265 -6.720 1.00 0.00 C ATOM 744 CD2 TYR A 93 20.588 -7.862 -8.315 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.892 -6.548 -5.906 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.670 -8.147 -7.503 1.00 0.00 C ATOM 747 CZ TYR A 93 21.816 -7.487 -6.303 1.00 0.00 C ATOM 748 OH TYR A 93 22.893 -7.763 -5.497 1.00 0.00 O ATOM 0 H TYR A 93 17.507 -7.802 -6.337 1.00 0.00 H new ATOM 0 HA TYR A 93 16.305 -6.391 -8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 93 18.587 -7.115 -9.797 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.415 -5.545 -9.037 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.090 -5.526 -6.406 1.00 0.00 H new ATOM 0 HD2 TYR A 93 20.478 -8.382 -9.255 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.010 -6.035 -4.963 1.00 0.00 H new ATOM 0 HE2 TYR A 93 22.398 -8.884 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 93 23.451 -8.449 -5.920 1.00 0.00 H new ATOM 758 N ASN A 94 15.665 -9.030 -8.115 1.00 0.00 N ATOM 759 CA ASN A 94 15.221 -10.385 -8.458 1.00 0.00 C ATOM 760 C ASN A 94 13.766 -10.629 -8.037 1.00 0.00 C ATOM 761 O ASN A 94 12.931 -10.970 -8.871 1.00 0.00 O ATOM 762 CB ASN A 94 16.147 -11.421 -7.809 1.00 0.00 C ATOM 763 CG ASN A 94 16.049 -12.783 -8.466 1.00 0.00 C ATOM 764 OD1 ASN A 94 16.316 -12.931 -9.653 1.00 0.00 O ATOM 765 ND2 ASN A 94 15.667 -13.790 -7.694 1.00 0.00 N ATOM 0 H ASN A 94 15.094 -8.565 -7.409 1.00 0.00 H new ATOM 0 HA ASN A 94 15.270 -10.489 -9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.177 -11.068 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.899 -11.513 -6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.586 -14.729 -8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.454 -13.626 -6.710 1.00 0.00 H new ATOM 772 N THR A 95 13.482 -10.442 -6.739 1.00 0.00 N ATOM 773 CA THR A 95 12.139 -10.624 -6.169 1.00 0.00 C ATOM 774 C THR A 95 11.352 -11.759 -6.842 1.00 0.00 C ATOM 775 O THR A 95 10.483 -11.516 -7.682 1.00 0.00 O ATOM 776 CB THR A 95 11.349 -9.313 -6.233 1.00 0.00 C ATOM 777 OG1 THR A 95 11.216 -8.851 -7.564 1.00 0.00 O ATOM 778 CG2 THR A 95 11.979 -8.194 -5.431 1.00 0.00 C ATOM 0 H THR A 95 14.181 -10.159 -6.052 1.00 0.00 H new ATOM 0 HA THR A 95 12.276 -10.913 -5.127 1.00 0.00 H new ATOM 0 HB THR A 95 10.377 -9.556 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.807 -9.551 -8.114 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.369 -7.295 -5.520 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.042 -8.488 -4.383 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.980 -7.992 -5.812 1.00 0.00 H new ATOM 786 N THR A 96 11.650 -13.000 -6.449 1.00 0.00 N ATOM 787 CA THR A 96 10.961 -14.176 -7.001 1.00 0.00 C ATOM 788 C THR A 96 9.521 -14.277 -6.501 1.00 0.00 C ATOM 789 O THR A 96 8.646 -14.762 -7.218 1.00 0.00 O ATOM 790 CB THR A 96 11.700 -15.472 -6.636 1.00 0.00 C ATOM 791 OG1 THR A 96 12.138 -15.438 -5.290 1.00 0.00 O ATOM 792 CG2 THR A 96 12.908 -15.754 -7.502 1.00 0.00 C ATOM 0 H THR A 96 12.362 -13.219 -5.752 1.00 0.00 H new ATOM 0 HA THR A 96 10.953 -14.049 -8.084 1.00 0.00 H new ATOM 0 HB THR A 96 10.971 -16.265 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.605 -16.273 -5.077 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.375 -16.685 -7.182 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.597 -15.843 -8.543 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.623 -14.937 -7.406 1.00 0.00 H new ATOM 800 N ARG A 97 9.278 -13.844 -5.263 1.00 0.00 N ATOM 801 CA ARG A 97 7.941 -13.917 -4.675 1.00 0.00 C ATOM 802 C ARG A 97 7.181 -12.594 -4.785 1.00 0.00 C ATOM 803 O ARG A 97 7.732 -11.566 -5.192 1.00 0.00 O ATOM 804 CB ARG A 97 8.024 -14.338 -3.203 1.00 0.00 C ATOM 805 CG ARG A 97 9.073 -15.401 -2.922 1.00 0.00 C ATOM 806 CD ARG A 97 8.462 -16.604 -2.229 1.00 0.00 C ATOM 807 NE ARG A 97 9.242 -17.820 -2.457 1.00 0.00 N ATOM 808 CZ ARG A 97 9.064 -18.648 -3.479 1.00 0.00 C ATOM 809 NH1 ARG A 97 8.201 -18.362 -4.435 1.00 0.00 N ATOM 810 NH2 ARG A 97 9.776 -19.753 -3.556 1.00 0.00 N ATOM 0 H ARG A 97 9.987 -13.441 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 97 7.389 -14.666 -5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.241 -13.459 -2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.050 -14.711 -2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.537 -15.714 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.863 -14.981 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.395 -16.411 -1.158 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.444 -16.753 -2.590 1.00 0.00 H new ATOM 0 HE ARG A 97 9.974 -18.048 -1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.662 -17.497 -4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.073 -19.006 -5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 97 10.461 -19.970 -2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.642 -20.392 -4.340 1.00 0.00 H new ATOM 824 N ASN A 98 5.907 -12.641 -4.400 1.00 0.00 N ATOM 825 CA ASN A 98 5.036 -11.470 -4.426 1.00 0.00 C ATOM 826 C ASN A 98 4.234 -11.357 -3.123 1.00 0.00 C ATOM 827 O ASN A 98 4.097 -12.332 -2.379 1.00 0.00 O ATOM 828 CB ASN A 98 4.089 -11.537 -5.634 1.00 0.00 C ATOM 829 CG ASN A 98 3.255 -12.808 -5.675 1.00 0.00 C ATOM 830 OD1 ASN A 98 3.111 -13.513 -4.677 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.699 -13.109 -6.838 1.00 0.00 N ATOM 0 H ASN A 98 5.452 -13.489 -4.063 1.00 0.00 H new ATOM 0 HA ASN A 98 5.660 -10.581 -4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.423 -10.674 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.675 -11.465 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.129 -13.950 -6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.841 -12.500 -7.644 1.00 0.00 H new ATOM 838 N ALA A 99 3.705 -10.162 -2.860 1.00 0.00 N ATOM 839 CA ALA A 99 2.912 -9.912 -1.655 1.00 0.00 C ATOM 840 C ALA A 99 1.419 -9.939 -1.971 1.00 0.00 C ATOM 841 O ALA A 99 0.924 -9.094 -2.718 1.00 0.00 O ATOM 842 CB ALA A 99 3.289 -8.566 -1.044 1.00 0.00 C ATOM 0 H ALA A 99 3.811 -9.349 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 99 3.128 -10.703 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.692 -8.393 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.346 -8.570 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.098 -7.772 -1.766 1.00 0.00 H new ATOM 848 N TYR A 100 0.704 -10.904 -1.401 1.00 0.00 N ATOM 849 CA TYR A 100 -0.733 -11.014 -1.633 1.00 0.00 C ATOM 850 C TYR A 100 -1.530 -10.751 -0.357 1.00 0.00 C ATOM 851 O TYR A 100 -1.466 -11.517 0.605 1.00 0.00 O ATOM 852 CB TYR A 100 -1.099 -12.383 -2.225 1.00 0.00 C ATOM 853 CG TYR A 100 -0.288 -13.536 -1.680 1.00 0.00 C ATOM 854 CD1 TYR A 100 -0.691 -14.214 -0.537 1.00 0.00 C ATOM 855 CD2 TYR A 100 0.879 -13.948 -2.310 1.00 0.00 C ATOM 856 CE1 TYR A 100 0.046 -15.271 -0.038 1.00 0.00 C ATOM 857 CE2 TYR A 100 1.620 -15.003 -1.817 1.00 0.00 C ATOM 858 CZ TYR A 100 1.200 -15.660 -0.683 1.00 0.00 C ATOM 859 OH TYR A 100 1.935 -16.711 -0.191 1.00 0.00 O ATOM 0 H TYR A 100 1.091 -11.615 -0.781 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.000 -10.246 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -2.155 -12.576 -2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.971 -12.344 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.595 -13.910 -0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.212 -13.435 -3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -0.280 -15.789 0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.525 -15.311 -2.319 1.00 0.00 H new ATOM 0 HH TYR A 100 2.718 -16.858 -0.762 1.00 0.00 H new ATOM 869 N ARG A 101 -2.291 -9.662 -0.376 1.00 0.00 N ATOM 870 CA ARG A 101 -3.129 -9.278 0.755 1.00 0.00 C ATOM 871 C ARG A 101 -4.588 -9.640 0.458 1.00 0.00 C ATOM 872 O ARG A 101 -5.258 -8.955 -0.313 1.00 0.00 O ATOM 873 CB ARG A 101 -2.979 -7.772 1.031 1.00 0.00 C ATOM 874 CG ARG A 101 -2.149 -7.455 2.264 1.00 0.00 C ATOM 875 CD ARG A 101 -2.972 -6.741 3.323 1.00 0.00 C ATOM 876 NE ARG A 101 -2.703 -5.299 3.359 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.256 -4.463 4.229 1.00 0.00 C ATOM 878 NH1 ARG A 101 -4.106 -4.907 5.138 1.00 0.00 N ATOM 879 NH2 ARG A 101 -2.942 -3.184 4.201 1.00 0.00 N ATOM 0 H ARG A 101 -2.345 -9.024 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.812 -9.819 1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.521 -7.297 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.970 -7.333 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.744 -8.378 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.300 -6.833 1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.032 -6.906 3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.756 -7.173 4.300 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.052 -4.916 2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -4.341 -5.899 5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.527 -4.258 5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.275 -2.838 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.366 -2.540 4.869 1.00 0.00 H new ATOM 893 N GLU A 102 -5.058 -10.739 1.048 1.00 0.00 N ATOM 894 CA GLU A 102 -6.427 -11.215 0.822 1.00 0.00 C ATOM 895 C GLU A 102 -7.449 -10.489 1.701 1.00 0.00 C ATOM 896 O GLU A 102 -7.259 -10.347 2.910 1.00 0.00 O ATOM 897 CB GLU A 102 -6.505 -12.724 1.061 1.00 0.00 C ATOM 898 CG GLU A 102 -7.701 -13.381 0.385 1.00 0.00 C ATOM 899 CD GLU A 102 -7.719 -14.886 0.554 1.00 0.00 C ATOM 900 OE1 GLU A 102 -6.954 -15.573 -0.151 1.00 0.00 O ATOM 901 OE2 GLU A 102 -8.505 -15.376 1.390 1.00 0.00 O ATOM 0 H GLU A 102 -4.513 -11.318 1.686 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.679 -10.995 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.590 -13.190 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.554 -12.913 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.620 -12.963 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.689 -13.140 -0.678 1.00 0.00 H new ATOM 908 N CYS A 103 -8.538 -10.031 1.076 1.00 0.00 N ATOM 909 CA CYS A 103 -9.603 -9.315 1.789 1.00 0.00 C ATOM 910 C CYS A 103 -10.588 -10.275 2.458 1.00 0.00 C ATOM 911 O CYS A 103 -10.962 -11.300 1.883 1.00 0.00 O ATOM 912 CB CYS A 103 -10.359 -8.388 0.833 1.00 0.00 C ATOM 913 SG CYS A 103 -9.950 -6.630 1.041 1.00 0.00 S ATOM 0 H CYS A 103 -8.706 -10.143 0.076 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.125 -8.723 2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.141 -8.683 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.430 -8.522 0.982 1.00 0.00 H new ATOM 918 N LEU A 104 -11.011 -9.922 3.671 1.00 0.00 N ATOM 919 CA LEU A 104 -11.958 -10.734 4.437 1.00 0.00 C ATOM 920 C LEU A 104 -13.328 -10.806 3.749 1.00 0.00 C ATOM 921 O LEU A 104 -13.652 -9.978 2.896 1.00 0.00 O ATOM 922 CB LEU A 104 -12.108 -10.165 5.852 1.00 0.00 C ATOM 923 CG LEU A 104 -10.807 -10.017 6.645 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.994 -9.036 7.789 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.343 -11.363 7.176 1.00 0.00 C ATOM 0 H LEU A 104 -10.710 -9.072 4.148 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.562 -11.748 4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.584 -9.187 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.784 -10.809 6.414 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.040 -9.631 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.060 -8.941 8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.280 -8.062 7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.777 -9.399 8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.417 -11.234 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.108 -11.779 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.170 -12.043 6.342 1.00 0.00 H new ATOM 937 N GLU A 105 -14.122 -11.805 4.130 1.00 0.00 N ATOM 938 CA GLU A 105 -15.458 -12.013 3.554 1.00 0.00 C ATOM 939 C GLU A 105 -16.475 -10.973 4.041 1.00 0.00 C ATOM 940 O GLU A 105 -17.398 -10.618 3.309 1.00 0.00 O ATOM 941 CB GLU A 105 -15.962 -13.433 3.858 1.00 0.00 C ATOM 942 CG GLU A 105 -15.814 -13.855 5.315 1.00 0.00 C ATOM 943 CD GLU A 105 -16.924 -14.778 5.777 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.823 -15.997 5.528 1.00 0.00 O ATOM 945 OE2 GLU A 105 -17.889 -14.282 6.391 1.00 0.00 O ATOM 0 H GLU A 105 -13.864 -12.490 4.840 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.361 -11.889 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -17.013 -13.500 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.419 -14.140 3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.854 -14.354 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.801 -12.966 5.946 1.00 0.00 H new ATOM 952 N ASN A 106 -16.297 -10.473 5.267 1.00 0.00 N ATOM 953 CA ASN A 106 -17.203 -9.463 5.825 1.00 0.00 C ATOM 954 C ASN A 106 -17.160 -8.158 5.012 1.00 0.00 C ATOM 955 O ASN A 106 -18.049 -7.315 5.140 1.00 0.00 O ATOM 956 CB ASN A 106 -16.854 -9.176 7.290 1.00 0.00 C ATOM 957 CG ASN A 106 -17.044 -10.383 8.187 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.161 -10.714 8.571 1.00 0.00 O ATOM 959 ND2 ASN A 106 -15.950 -11.045 8.535 1.00 0.00 N ATOM 0 H ASN A 106 -15.538 -10.749 5.890 1.00 0.00 H new ATOM 0 HA ASN A 106 -18.215 -9.865 5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.818 -8.842 7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.476 -8.358 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.019 -11.861 9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.039 -10.738 8.195 1.00 0.00 H new ATOM 966 N GLY A 107 -16.123 -8.002 4.179 1.00 0.00 N ATOM 967 CA GLY A 107 -15.981 -6.805 3.360 1.00 0.00 C ATOM 968 C GLY A 107 -14.873 -5.886 3.846 1.00 0.00 C ATOM 969 O GLY A 107 -14.974 -4.667 3.704 1.00 0.00 O ATOM 0 H GLY A 107 -15.378 -8.688 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.778 -7.097 2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.924 -6.259 3.357 1.00 0.00 H new ATOM 973 N THR A 108 -13.814 -6.462 4.426 1.00 0.00 N ATOM 974 CA THR A 108 -12.697 -5.663 4.944 1.00 0.00 C ATOM 975 C THR A 108 -11.342 -6.314 4.664 1.00 0.00 C ATOM 976 O THR A 108 -11.259 -7.508 4.388 1.00 0.00 O ATOM 977 CB THR A 108 -12.847 -5.455 6.457 1.00 0.00 C ATOM 978 OG1 THR A 108 -14.204 -5.517 6.850 1.00 0.00 O ATOM 979 CG2 THR A 108 -12.299 -4.133 6.938 1.00 0.00 C ATOM 0 H THR A 108 -13.707 -7.469 4.548 1.00 0.00 H new ATOM 0 HA THR A 108 -12.728 -4.704 4.427 1.00 0.00 H new ATOM 0 HB THR A 108 -12.269 -6.262 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 108 -14.271 -5.383 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.438 -4.052 8.016 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.236 -4.073 6.703 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.827 -3.318 6.442 1.00 0.00 H new ATOM 987 N TRP A 109 -10.279 -5.516 4.753 1.00 0.00 N ATOM 988 CA TRP A 109 -8.918 -6.007 4.528 1.00 0.00 C ATOM 989 C TRP A 109 -8.506 -7.007 5.616 1.00 0.00 C ATOM 990 O TRP A 109 -9.067 -7.010 6.713 1.00 0.00 O ATOM 991 CB TRP A 109 -7.937 -4.832 4.506 1.00 0.00 C ATOM 992 CG TRP A 109 -7.873 -4.127 3.185 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.431 -2.920 2.872 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.209 -4.583 2.001 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.155 -2.599 1.564 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.404 -3.602 1.011 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.467 -5.723 1.681 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -6.883 -3.727 -0.273 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -5.952 -5.847 0.406 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.162 -4.854 -0.557 1.00 0.00 C ATOM 0 H TRP A 109 -10.333 -4.523 4.980 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.895 -6.519 3.566 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.223 -4.116 5.277 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.942 -5.196 4.763 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.005 -2.308 3.552 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.460 -1.752 1.084 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.299 -6.494 2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.042 -2.962 -1.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.378 -6.725 0.148 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.746 -4.980 -1.546 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.523 -7.856 5.306 1.00 0.00 N ATOM 1012 CA ALA A 110 -7.042 -8.861 6.260 1.00 0.00 C ATOM 1013 C ALA A 110 -6.202 -8.242 7.391 1.00 0.00 C ATOM 1014 O ALA A 110 -5.949 -7.036 7.408 1.00 0.00 O ATOM 1015 CB ALA A 110 -6.258 -9.944 5.531 1.00 0.00 C ATOM 0 H ALA A 110 -7.045 -7.869 4.405 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.917 -9.310 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.906 -10.684 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.902 -10.428 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.404 -9.496 5.024 1.00 0.00 H new ATOM 1021 N SER A 111 -5.796 -9.091 8.342 1.00 0.00 N ATOM 1022 CA SER A 111 -5.008 -8.665 9.510 1.00 0.00 C ATOM 1023 C SER A 111 -3.652 -8.048 9.138 1.00 0.00 C ATOM 1024 O SER A 111 -3.348 -6.931 9.554 1.00 0.00 O ATOM 1025 CB SER A 111 -4.794 -9.850 10.457 1.00 0.00 C ATOM 1026 OG SER A 111 -5.936 -10.064 11.272 1.00 0.00 O ATOM 0 H SER A 111 -6.002 -10.090 8.326 1.00 0.00 H new ATOM 0 HA SER A 111 -5.585 -7.883 10.004 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.583 -10.749 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.924 -9.664 11.086 1.00 0.00 H new ATOM 0 HG SER A 111 -5.775 -10.826 11.866 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.830 -8.781 8.383 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.505 -8.292 7.993 1.00 0.00 C ATOM 1034 C ARG A 112 -1.147 -8.707 6.564 1.00 0.00 C ATOM 1035 O ARG A 112 -1.871 -9.475 5.934 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.438 -8.813 8.961 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.620 -10.268 9.380 1.00 0.00 C ATOM 1038 CD ARG A 112 0.381 -10.664 10.458 1.00 0.00 C ATOM 1039 NE ARG A 112 0.555 -12.120 10.552 1.00 0.00 N ATOM 1040 CZ ARG A 112 -0.187 -12.924 11.307 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.201 -12.449 12.003 1.00 0.00 N ATOM 1042 NH2 ARG A 112 0.086 -14.214 11.353 1.00 0.00 N ATOM 0 H ARG A 112 -3.057 -9.711 8.031 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.535 -7.203 8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.542 -8.702 8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.440 -8.188 9.854 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.634 -10.418 9.750 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.498 -10.916 8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.343 -10.199 10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.046 -10.278 11.421 1.00 0.00 H new ATOM 0 HE ARG A 112 1.299 -12.544 9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.424 -11.454 11.966 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.763 -13.076 12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.864 -14.590 10.811 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.481 -14.835 11.931 1.00 0.00 H new ATOM 1056 N VAL A 113 -0.020 -8.197 6.063 1.00 0.00 N ATOM 1057 CA VAL A 113 0.438 -8.523 4.711 1.00 0.00 C ATOM 1058 C VAL A 113 1.433 -9.691 4.729 1.00 0.00 C ATOM 1059 O VAL A 113 2.059 -9.978 5.751 1.00 0.00 O ATOM 1060 CB VAL A 113 1.086 -7.302 4.017 1.00 0.00 C ATOM 1061 CG1 VAL A 113 1.140 -7.503 2.514 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.330 -6.024 4.346 1.00 0.00 C ATOM 0 H VAL A 113 0.591 -7.558 6.572 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.444 -8.816 4.142 1.00 0.00 H new ATOM 0 HB VAL A 113 2.105 -7.208 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.599 -6.632 2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.730 -8.391 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.129 -7.631 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.806 -5.181 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.701 -6.113 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.343 -5.861 5.424 1.00 0.00 H new ATOM 1072 N ASN A 114 1.558 -10.380 3.595 1.00 0.00 N ATOM 1073 CA ASN A 114 2.455 -11.532 3.489 1.00 0.00 C ATOM 1074 C ASN A 114 3.912 -11.115 3.240 1.00 0.00 C ATOM 1075 O ASN A 114 4.461 -11.336 2.160 1.00 0.00 O ATOM 1076 CB ASN A 114 1.953 -12.469 2.387 1.00 0.00 C ATOM 1077 CG ASN A 114 0.800 -13.330 2.864 1.00 0.00 C ATOM 1078 OD1 ASN A 114 -0.326 -12.862 2.988 1.00 0.00 O ATOM 1079 ND2 ASN A 114 1.079 -14.591 3.150 1.00 0.00 N ATOM 0 H ASN A 114 1.051 -10.161 2.738 1.00 0.00 H new ATOM 0 HA ASN A 114 2.445 -12.058 4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 114 1.636 -11.881 1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.770 -13.108 2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 114 0.344 -15.212 3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 114 2.029 -14.942 3.033 1.00 0.00 H new ATOM 1086 N TYR A 115 4.531 -10.525 4.265 1.00 0.00 N ATOM 1087 CA TYR A 115 5.932 -10.080 4.190 1.00 0.00 C ATOM 1088 C TYR A 115 6.876 -11.269 4.002 1.00 0.00 C ATOM 1089 O TYR A 115 7.809 -11.202 3.201 1.00 0.00 O ATOM 1090 CB TYR A 115 6.321 -9.288 5.453 1.00 0.00 C ATOM 1091 CG TYR A 115 5.192 -8.449 6.002 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.800 -7.285 5.359 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.502 -8.837 7.142 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.749 -6.530 5.835 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.454 -8.084 7.627 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.080 -6.936 6.970 1.00 0.00 C ATOM 1097 OH TYR A 115 2.023 -6.200 7.442 1.00 0.00 O ATOM 0 H TYR A 115 4.084 -10.342 5.163 1.00 0.00 H new ATOM 0 HA TYR A 115 6.027 -9.425 3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.654 -9.985 6.222 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.167 -8.640 5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.326 -6.965 4.472 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.790 -9.742 7.657 1.00 0.00 H new ATOM 0 HE1 TYR A 115 3.452 -5.627 5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.930 -8.394 8.519 1.00 0.00 H new ATOM 0 HH TYR A 115 1.663 -6.625 8.248 1.00 0.00 H new ATOM 1107 N SER A 116 6.624 -12.356 4.741 1.00 0.00 N ATOM 1108 CA SER A 116 7.450 -13.570 4.652 1.00 0.00 C ATOM 1109 C SER A 116 7.707 -13.965 3.195 1.00 0.00 C ATOM 1110 O SER A 116 8.840 -14.273 2.817 1.00 0.00 O ATOM 1111 CB SER A 116 6.772 -14.736 5.385 1.00 0.00 C ATOM 1112 OG SER A 116 7.433 -15.040 6.604 1.00 0.00 O ATOM 0 H SER A 116 5.855 -12.421 5.408 1.00 0.00 H new ATOM 0 HA SER A 116 8.407 -13.350 5.126 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.731 -14.484 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.767 -15.617 4.743 1.00 0.00 H new ATOM 0 HG SER A 116 6.976 -15.785 7.047 1.00 0.00 H new ATOM 1118 N HIS A 117 6.650 -13.952 2.380 1.00 0.00 N ATOM 1119 CA HIS A 117 6.755 -14.311 0.961 1.00 0.00 C ATOM 1120 C HIS A 117 7.456 -13.216 0.142 1.00 0.00 C ATOM 1121 O HIS A 117 6.895 -12.686 -0.819 1.00 0.00 O ATOM 1122 CB HIS A 117 5.358 -14.583 0.394 1.00 0.00 C ATOM 1123 CG HIS A 117 5.292 -15.772 -0.512 1.00 0.00 C ATOM 1124 ND1 HIS A 117 5.498 -17.063 -0.080 1.00 0.00 N ATOM 1125 CD2 HIS A 117 5.014 -15.857 -1.831 1.00 0.00 C ATOM 1126 CE1 HIS A 117 5.346 -17.894 -1.096 1.00 0.00 C ATOM 1127 NE2 HIS A 117 5.049 -17.188 -2.173 1.00 0.00 N ATOM 0 H HIS A 117 5.709 -13.696 2.678 1.00 0.00 H new ATOM 0 HA HIS A 117 7.364 -15.212 0.887 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.663 -14.730 1.221 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.021 -13.703 -0.153 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.803 -15.031 -2.495 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.447 -18.968 -1.053 1.00 0.00 H new ATOM 0 HE2 HIS A 117 4.875 -17.568 -3.104 1.00 0.00 H new ATOM 1136 N CYS A 118 8.690 -12.892 0.525 1.00 0.00 N ATOM 1137 CA CYS A 118 9.480 -11.871 -0.169 1.00 0.00 C ATOM 1138 C CYS A 118 10.954 -11.982 0.213 1.00 0.00 C ATOM 1139 O CYS A 118 11.378 -11.448 1.242 1.00 0.00 O ATOM 1140 CB CYS A 118 8.958 -10.471 0.161 1.00 0.00 C ATOM 1141 SG CYS A 118 7.722 -9.846 -1.021 1.00 0.00 S ATOM 0 H CYS A 118 9.168 -13.323 1.316 1.00 0.00 H new ATOM 0 HA CYS A 118 9.383 -12.037 -1.242 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.518 -10.484 1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.799 -9.778 0.192 1.00 0.00 H new ATOM 1146 N GLU A 119 11.726 -12.691 -0.610 1.00 0.00 N ATOM 1147 CA GLU A 119 13.152 -12.885 -0.346 1.00 0.00 C ATOM 1148 C GLU A 119 14.036 -12.067 -1.300 1.00 0.00 C ATOM 1149 O GLU A 119 13.644 -11.761 -2.430 1.00 0.00 O ATOM 1150 CB GLU A 119 13.514 -14.374 -0.433 1.00 0.00 C ATOM 1151 CG GLU A 119 13.254 -15.000 -1.798 1.00 0.00 C ATOM 1152 CD GLU A 119 14.036 -16.281 -2.012 1.00 0.00 C ATOM 1153 OE1 GLU A 119 15.226 -16.195 -2.381 1.00 0.00 O ATOM 1154 OE2 GLU A 119 13.455 -17.367 -1.810 1.00 0.00 O ATOM 0 H GLU A 119 11.390 -13.139 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 119 13.345 -12.526 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.568 -14.495 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.944 -14.920 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.189 -15.208 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.516 -14.284 -2.577 1.00 0.00 H new ATOM 1161 N PRO A 120 15.251 -11.709 -0.836 1.00 0.00 N ATOM 1162 CA PRO A 120 16.219 -10.925 -1.625 1.00 0.00 C ATOM 1163 C PRO A 120 16.805 -11.706 -2.808 1.00 0.00 C ATOM 1164 O PRO A 120 16.299 -12.760 -3.193 1.00 0.00 O ATOM 1165 CB PRO A 120 17.319 -10.604 -0.606 1.00 0.00 C ATOM 1166 CG PRO A 120 17.228 -11.687 0.410 1.00 0.00 C ATOM 1167 CD PRO A 120 15.772 -12.047 0.502 1.00 0.00 C ATOM 0 HA PRO A 120 15.753 -10.049 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.301 -10.586 -1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.165 -9.624 -0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 120 17.825 -12.550 0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.608 -11.350 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 120 15.633 -13.103 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.267 -11.481 1.285 1.00 0.00 H new ATOM 1175 N ILE A 121 17.882 -11.173 -3.381 1.00 0.00 N ATOM 1176 CA ILE A 121 18.547 -11.810 -4.516 1.00 0.00 C ATOM 1177 C ILE A 121 19.350 -13.041 -4.082 1.00 0.00 C ATOM 1178 O ILE A 121 20.057 -13.014 -3.074 1.00 0.00 O ATOM 1179 CB ILE A 121 19.481 -10.829 -5.269 1.00 0.00 C ATOM 1180 CG1 ILE A 121 20.570 -10.265 -4.337 1.00 0.00 C ATOM 1181 CG2 ILE A 121 18.674 -9.706 -5.904 1.00 0.00 C ATOM 1182 CD1 ILE A 121 20.151 -9.036 -3.550 1.00 0.00 C ATOM 0 H ILE A 121 18.314 -10.300 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 121 17.753 -12.124 -5.194 1.00 0.00 H new ATOM 0 HB ILE A 121 19.983 -11.384 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.870 -11.044 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 121 21.448 -10.017 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 121 19.346 -9.027 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 121 17.959 -10.127 -6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 121 18.138 -9.159 -5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.978 -8.707 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 121 19.880 -8.237 -4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 121 19.293 -9.280 -2.923 1.00 0.00 H new ATOM 1194 N LEU A 122 19.220 -14.116 -4.856 1.00 0.00 N ATOM 1195 CA LEU A 122 19.910 -15.378 -4.593 1.00 0.00 C ATOM 1196 C LEU A 122 19.779 -16.289 -5.818 1.00 0.00 C ATOM 1197 O LEU A 122 20.105 -15.879 -6.930 1.00 0.00 O ATOM 1198 CB LEU A 122 19.289 -16.062 -3.370 1.00 0.00 C ATOM 1199 CG LEU A 122 20.220 -16.240 -2.168 1.00 0.00 C ATOM 1200 CD1 LEU A 122 19.411 -16.494 -0.908 1.00 0.00 C ATOM 1201 CD2 LEU A 122 21.200 -17.379 -2.407 1.00 0.00 C ATOM 0 H LEU A 122 18.630 -14.137 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 122 20.964 -15.183 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 122 18.422 -15.482 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 122 18.923 -17.043 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 122 20.791 -15.321 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 122 20.086 -16.619 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 122 18.750 -15.647 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 122 18.816 -17.398 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 122 21.851 -17.487 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 122 20.649 -18.306 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.803 -17.161 -3.289 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 23.331 -2.142 0.952 1.00 0.00 N ATOM 1215 CA LEU B 227 23.117 -3.339 0.185 1.00 0.00 C ATOM 1216 C LEU B 227 22.405 -4.443 0.977 1.00 0.00 C ATOM 1217 O LEU B 227 21.250 -4.765 0.687 1.00 0.00 O ATOM 1218 CB LEU B 227 24.466 -3.781 -0.375 1.00 0.00 C ATOM 1219 CG LEU B 227 24.765 -5.271 -0.347 1.00 0.00 C ATOM 1220 CD1 LEU B 227 24.341 -5.938 -1.645 1.00 0.00 C ATOM 1221 CD2 LEU B 227 26.241 -5.503 -0.080 1.00 0.00 C ATOM 0 HA LEU B 227 22.433 -3.126 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU B 227 24.533 -3.441 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU B 227 25.250 -3.267 0.181 1.00 0.00 H new ATOM 0 HG LEU B 227 24.189 -5.722 0.461 1.00 0.00 H new ATOM 0 HD11 LEU B 227 24.567 -7.003 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU B 227 23.270 -5.800 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU B 227 24.882 -5.490 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU B 227 26.444 -6.574 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU B 227 26.831 -5.035 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU B 227 26.510 -5.067 0.882 1.00 0.00 H new ATOM 1233 N ALA B 228 23.081 -5.023 1.964 1.00 0.00 N ATOM 1234 CA ALA B 228 22.483 -6.090 2.764 1.00 0.00 C ATOM 1235 C ALA B 228 21.795 -5.524 4.001 1.00 0.00 C ATOM 1236 O ALA B 228 20.577 -5.640 4.152 1.00 0.00 O ATOM 1237 CB ALA B 228 23.527 -7.132 3.141 1.00 0.00 C ATOM 0 H ALA B 228 24.035 -4.776 2.229 1.00 0.00 H new ATOM 0 HA ALA B 228 21.722 -6.583 2.159 1.00 0.00 H new ATOM 0 HB1 ALA B 228 23.060 -7.917 3.736 1.00 0.00 H new ATOM 0 HB2 ALA B 228 23.950 -7.567 2.236 1.00 0.00 H new ATOM 0 HB3 ALA B 228 24.319 -6.660 3.722 1.00 0.00 H new ATOM 1243 N GLN B 229 22.575 -4.900 4.883 1.00 0.00 N ATOM 1244 CA GLN B 229 22.023 -4.309 6.097 1.00 0.00 C ATOM 1245 C GLN B 229 20.935 -3.291 5.748 1.00 0.00 C ATOM 1246 O GLN B 229 19.849 -3.311 6.326 1.00 0.00 O ATOM 1247 CB GLN B 229 23.127 -3.653 6.930 1.00 0.00 C ATOM 1248 CG GLN B 229 23.112 -4.075 8.391 1.00 0.00 C ATOM 1249 CD GLN B 229 23.945 -3.166 9.268 1.00 0.00 C ATOM 1250 OE1 GLN B 229 25.134 -2.983 9.033 1.00 0.00 O ATOM 1251 NE2 GLN B 229 23.327 -2.584 10.285 1.00 0.00 N ATOM 0 H GLN B 229 23.584 -4.792 4.779 1.00 0.00 H new ATOM 0 HA GLN B 229 21.574 -5.104 6.693 1.00 0.00 H new ATOM 0 HB2 GLN B 229 24.096 -3.903 6.497 1.00 0.00 H new ATOM 0 HB3 GLN B 229 23.021 -2.570 6.871 1.00 0.00 H new ATOM 0 HG2 GLN B 229 22.084 -4.081 8.753 1.00 0.00 H new ATOM 0 HG3 GLN B 229 23.485 -5.096 8.474 1.00 0.00 H new ATOM 0 HE21 GLN B 229 22.336 -2.761 10.448 1.00 0.00 H new ATOM 0 HE22 GLN B 229 23.842 -1.959 10.905 1.00 0.00 H new ATOM 1260 N GLU B 230 21.226 -2.413 4.779 1.00 0.00 N ATOM 1261 CA GLU B 230 20.262 -1.405 4.339 1.00 0.00 C ATOM 1262 C GLU B 230 18.963 -2.061 3.877 1.00 0.00 C ATOM 1263 O GLU B 230 17.885 -1.745 4.380 1.00 0.00 O ATOM 1264 CB GLU B 230 20.850 -0.540 3.223 1.00 0.00 C ATOM 1265 CG GLU B 230 20.241 0.852 3.161 1.00 0.00 C ATOM 1266 CD GLU B 230 20.851 1.799 4.178 1.00 0.00 C ATOM 1267 OE1 GLU B 230 22.059 2.027 4.176 1.00 0.00 O ATOM 0 H GLU B 230 22.120 -2.383 4.288 1.00 0.00 H new ATOM 0 HA GLU B 230 20.038 -0.761 5.190 1.00 0.00 H new ATOM 0 HB2 GLU B 230 21.927 -0.452 3.369 1.00 0.00 H new ATOM 0 HB3 GLU B 230 20.697 -1.039 2.266 1.00 0.00 H new ATOM 0 HG2 GLU B 230 20.379 1.261 2.160 1.00 0.00 H new ATOM 0 HG3 GLU B 230 19.167 0.783 3.332 1.00 0.00 H new ATOM 1274 N ALA B 231 19.063 -2.999 2.935 1.00 0.00 N ATOM 1275 CA ALA B 231 17.874 -3.703 2.447 1.00 0.00 C ATOM 1276 C ALA B 231 17.198 -4.496 3.577 1.00 0.00 C ATOM 1277 O ALA B 231 16.003 -4.783 3.504 1.00 0.00 O ATOM 1278 CB ALA B 231 18.220 -4.608 1.270 1.00 0.00 C ATOM 0 H ALA B 231 19.939 -3.287 2.500 1.00 0.00 H new ATOM 0 HA ALA B 231 17.163 -2.956 2.095 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.320 -5.119 0.927 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.629 -4.008 0.457 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.959 -5.346 1.583 1.00 0.00 H new ATOM 1284 N HIS B 232 17.954 -4.831 4.632 1.00 0.00 N ATOM 1285 CA HIS B 232 17.396 -5.560 5.772 1.00 0.00 C ATOM 1286 C HIS B 232 16.369 -4.695 6.496 1.00 0.00 C ATOM 1287 O HIS B 232 15.227 -5.117 6.696 1.00 0.00 O ATOM 1288 CB HIS B 232 18.503 -5.997 6.744 1.00 0.00 C ATOM 1289 CG HIS B 232 18.081 -7.065 7.708 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.787 -7.537 7.803 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.801 -7.762 8.617 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.731 -8.481 8.726 1.00 0.00 C ATOM 1293 NE2 HIS B 232 17.940 -8.636 9.235 1.00 0.00 N ATOM 0 H HIS B 232 18.946 -4.609 4.717 1.00 0.00 H new ATOM 0 HA HIS B 232 16.904 -6.457 5.395 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.356 -6.357 6.169 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.842 -5.127 7.307 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.856 -7.652 8.819 1.00 0.00 H new ATOM 0 HE1 HIS B 232 15.848 -9.032 9.015 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.193 -9.298 9.969 1.00 0.00 H new ATOM 1302 N LYS B 233 16.772 -3.473 6.863 1.00 0.00 N ATOM 1303 CA LYS B 233 15.867 -2.541 7.541 1.00 0.00 C ATOM 1304 C LYS B 233 14.665 -2.233 6.645 1.00 0.00 C ATOM 1305 O LYS B 233 13.538 -2.106 7.122 1.00 0.00 O ATOM 1306 CB LYS B 233 16.596 -1.243 7.926 1.00 0.00 C ATOM 1307 CG LYS B 233 17.215 -0.503 6.746 1.00 0.00 C ATOM 1308 CD LYS B 233 17.623 0.919 7.111 1.00 0.00 C ATOM 1309 CE LYS B 233 18.199 1.661 5.910 1.00 0.00 C ATOM 1310 NZ LYS B 233 19.630 1.936 6.061 1.00 0.00 N ATOM 0 H LYS B 233 17.712 -3.109 6.703 1.00 0.00 H new ATOM 0 HA LYS B 233 15.515 -3.012 8.459 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.892 -0.579 8.429 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.381 -1.479 8.645 1.00 0.00 H new ATOM 0 HG2 LYS B 233 18.089 -1.051 6.393 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.502 -0.475 5.922 1.00 0.00 H new ATOM 0 HD2 LYS B 233 16.758 1.460 7.493 1.00 0.00 H new ATOM 0 HD3 LYS B 233 18.362 0.892 7.912 1.00 0.00 H new ATOM 0 HE2 LYS B 233 18.038 1.069 5.009 1.00 0.00 H new ATOM 0 HE3 LYS B 233 17.663 2.600 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 19.894 2.741 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 19.837 2.165 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 20.176 1.098 5.778 1.00 0.00 H new ATOM 1322 N ASN B 234 14.914 -2.145 5.336 1.00 0.00 N ATOM 1323 CA ASN B 234 13.854 -1.883 4.364 1.00 0.00 C ATOM 1324 C ASN B 234 12.731 -2.900 4.531 1.00 0.00 C ATOM 1325 O ASN B 234 11.567 -2.523 4.681 1.00 0.00 O ATOM 1326 CB ASN B 234 14.419 -1.925 2.938 1.00 0.00 C ATOM 1327 CG ASN B 234 15.295 -0.728 2.617 1.00 0.00 C ATOM 1328 OD1 ASN B 234 15.688 0.031 3.504 1.00 0.00 O ATOM 1329 ND2 ASN B 234 15.617 -0.553 1.347 1.00 0.00 N ATOM 0 H ASN B 234 15.842 -2.252 4.926 1.00 0.00 H new ATOM 0 HA ASN B 234 13.448 -0.887 4.541 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.999 -2.839 2.809 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.594 -1.967 2.226 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.210 0.231 1.075 1.00 0.00 H new ATOM 0 HD22 ASN B 234 15.273 -1.202 0.639 1.00 0.00 H new ATOM 1336 N ARG B 235 13.086 -4.190 4.538 1.00 0.00 N ATOM 1337 CA ARG B 235 12.093 -5.243 4.725 1.00 0.00 C ATOM 1338 C ARG B 235 11.495 -5.164 6.130 1.00 0.00 C ATOM 1339 O ARG B 235 10.288 -5.320 6.303 1.00 0.00 O ATOM 1340 CB ARG B 235 12.706 -6.622 4.479 1.00 0.00 C ATOM 1341 CG ARG B 235 12.142 -7.300 3.242 1.00 0.00 C ATOM 1342 CD ARG B 235 12.622 -8.735 3.110 1.00 0.00 C ATOM 1343 NE ARG B 235 13.986 -8.796 2.583 1.00 0.00 N ATOM 1344 CZ ARG B 235 14.970 -9.517 3.109 1.00 0.00 C ATOM 1345 NH1 ARG B 235 14.732 -10.403 4.059 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.193 -9.385 2.643 1.00 0.00 N ATOM 0 H ARG B 235 14.043 -4.523 4.418 1.00 0.00 H new ATOM 0 HA ARG B 235 11.295 -5.094 3.997 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.786 -6.522 4.373 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.528 -7.255 5.349 1.00 0.00 H new ATOM 0 HG2 ARG B 235 11.053 -7.285 3.285 1.00 0.00 H new ATOM 0 HG3 ARG B 235 12.434 -6.737 2.355 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.584 -9.224 4.084 1.00 0.00 H new ATOM 0 HD3 ARG B 235 11.951 -9.286 2.451 1.00 0.00 H new ATOM 0 HE ARG B 235 14.196 -8.245 1.751 1.00 0.00 H new ATOM 0 HH11 ARG B 235 13.781 -10.542 4.400 1.00 0.00 H new ATOM 0 HH12 ARG B 235 15.499 -10.948 4.452 1.00 0.00 H new ATOM 0 HH21 ARG B 235 16.381 -8.732 1.882 1.00 0.00 H new ATOM 0 HH22 ARG B 235 16.953 -9.936 3.042 1.00 0.00 H new ATOM 1360 N LYS B 236 12.338 -4.892 7.132 1.00 0.00 N ATOM 1361 CA LYS B 236 11.863 -4.764 8.514 1.00 0.00 C ATOM 1362 C LYS B 236 10.695 -3.775 8.591 1.00 0.00 C ATOM 1363 O LYS B 236 9.735 -3.991 9.329 1.00 0.00 O ATOM 1364 CB LYS B 236 12.999 -4.324 9.439 1.00 0.00 C ATOM 1365 CG LYS B 236 13.960 -5.451 9.777 1.00 0.00 C ATOM 1366 CD LYS B 236 14.811 -5.116 10.990 1.00 0.00 C ATOM 1367 CE LYS B 236 14.619 -6.130 12.105 1.00 0.00 C ATOM 1368 NZ LYS B 236 15.228 -5.659 13.384 1.00 0.00 N ATOM 0 H LYS B 236 13.342 -4.757 7.014 1.00 0.00 H new ATOM 0 HA LYS B 236 11.512 -5.741 8.846 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.552 -3.512 8.966 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.576 -3.926 10.361 1.00 0.00 H new ATOM 0 HG2 LYS B 236 13.397 -6.365 9.968 1.00 0.00 H new ATOM 0 HG3 LYS B 236 14.606 -5.648 8.922 1.00 0.00 H new ATOM 0 HD2 LYS B 236 15.862 -5.086 10.701 1.00 0.00 H new ATOM 0 HD3 LYS B 236 14.552 -4.121 11.353 1.00 0.00 H new ATOM 0 HE2 LYS B 236 13.555 -6.312 12.253 1.00 0.00 H new ATOM 0 HE3 LYS B 236 15.068 -7.080 11.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 15.079 -6.375 14.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 16.248 -5.509 13.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 14.782 -4.765 13.672 1.00 0.00 H new ATOM 1382 N LEU B 237 10.767 -2.704 7.796 1.00 0.00 N ATOM 1383 CA LEU B 237 9.697 -1.705 7.749 1.00 0.00 C ATOM 1384 C LEU B 237 8.349 -2.376 7.435 1.00 0.00 C ATOM 1385 O LEU B 237 7.296 -1.911 7.872 1.00 0.00 O ATOM 1386 CB LEU B 237 10.036 -0.632 6.702 1.00 0.00 C ATOM 1387 CG LEU B 237 9.765 0.816 7.125 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.283 1.041 7.372 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.570 1.173 8.365 1.00 0.00 C ATOM 0 H LEU B 237 11.554 -2.507 7.177 1.00 0.00 H new ATOM 0 HA LEU B 237 9.612 -1.225 8.724 1.00 0.00 H new ATOM 0 HB2 LEU B 237 11.091 -0.724 6.442 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.465 -0.840 5.797 1.00 0.00 H new ATOM 0 HG LEU B 237 10.078 1.469 6.310 1.00 0.00 H new ATOM 0 HD11 LEU B 237 8.117 2.076 7.671 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.726 0.833 6.458 1.00 0.00 H new ATOM 0 HD13 LEU B 237 7.941 0.375 8.164 1.00 0.00 H new ATOM 0 HD21 LEU B 237 10.363 2.205 8.648 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.291 0.509 9.183 1.00 0.00 H new ATOM 0 HD23 LEU B 237 11.633 1.061 8.153 1.00 0.00 H new HETATM 1401 N NLE B 238 8.399 -3.490 6.698 1.00 0.00 N HETATM 1402 CA NLE B 238 7.201 -4.253 6.342 1.00 0.00 C HETATM 1403 C NLE B 238 6.506 -4.804 7.593 1.00 0.00 C HETATM 1404 O NLE B 238 5.279 -4.882 7.650 1.00 0.00 O HETATM 1405 CB NLE B 238 7.569 -5.393 5.391 1.00 0.00 C HETATM 1406 CG NLE B 238 8.342 -4.942 4.161 1.00 0.00 C HETATM 1407 CD NLE B 238 8.131 -5.891 2.998 1.00 0.00 C HETATM 1408 CE NLE B 238 6.786 -5.725 2.338 1.00 0.00 C HETATM 0 HG3 NLE B 238 8.024 -3.939 3.877 1.00 0.00 H new HETATM 0 HG2 NLE B 238 9.404 -4.884 4.398 1.00 0.00 H new HETATM 0 HE3 NLE B 238 5.997 -5.914 3.066 1.00 0.00 H new HETATM 0 HE2 NLE B 238 6.691 -4.708 1.956 1.00 0.00 H new HETATM 0 HE1 NLE B 238 6.696 -6.432 1.513 1.00 0.00 H new HETATM 0 HD3 NLE B 238 8.915 -5.730 2.258 1.00 0.00 H new HETATM 0 HD2 NLE B 238 8.232 -6.917 3.351 1.00 0.00 H new HETATM 0 HB3 NLE B 238 8.164 -6.128 5.933 1.00 0.00 H new HETATM 0 HB2 NLE B 238 6.656 -5.895 5.071 1.00 0.00 H new HETATM 0 HA NLE B 238 6.505 -3.582 5.839 1.00 0.00 H new ATOM 1420 N GLU B 239 7.296 -5.156 8.608 1.00 0.00 N ATOM 1421 CA GLU B 239 6.742 -5.663 9.864 1.00 0.00 C ATOM 1422 C GLU B 239 5.846 -4.600 10.506 1.00 0.00 C ATOM 1423 O GLU B 239 4.896 -4.921 11.218 1.00 0.00 O ATOM 1424 CB GLU B 239 7.866 -6.068 10.829 1.00 0.00 C ATOM 1425 CG GLU B 239 9.038 -6.761 10.148 1.00 0.00 C ATOM 1426 CD GLU B 239 9.820 -7.666 11.081 1.00 0.00 C ATOM 1427 OE1 GLU B 239 9.416 -8.836 11.243 1.00 0.00 O ATOM 1428 OE2 GLU B 239 10.842 -7.206 11.640 1.00 0.00 O ATOM 0 H GLU B 239 8.314 -5.100 8.586 1.00 0.00 H new ATOM 0 HA GLU B 239 6.144 -6.548 9.648 1.00 0.00 H new ATOM 0 HB2 GLU B 239 8.230 -5.178 11.342 1.00 0.00 H new ATOM 0 HB3 GLU B 239 7.457 -6.731 11.591 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.666 -7.349 9.309 1.00 0.00 H new ATOM 0 HG3 GLU B 239 9.709 -6.007 9.737 1.00 0.00 H new ATOM 1435 N ILE B 240 6.152 -3.327 10.228 1.00 0.00 N ATOM 1436 CA ILE B 240 5.371 -2.203 10.756 1.00 0.00 C ATOM 1437 C ILE B 240 3.984 -2.111 10.100 1.00 0.00 C ATOM 1438 O ILE B 240 3.062 -1.517 10.665 1.00 0.00 O ATOM 1439 CB ILE B 240 6.092 -0.851 10.544 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.478 -0.850 11.181 1.00 0.00 C ATOM 1441 CG2 ILE B 240 5.258 0.289 11.113 1.00 0.00 C ATOM 1442 CD1 ILE B 240 8.325 0.324 10.739 1.00 0.00 C ATOM 0 H ILE B 240 6.937 -3.050 9.639 1.00 0.00 H new ATOM 0 HA ILE B 240 5.260 -2.397 11.823 1.00 0.00 H new ATOM 0 HB ILE B 240 6.214 -0.707 9.470 1.00 0.00 H new ATOM 0 HG12 ILE B 240 7.374 -0.830 12.266 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.990 -1.778 10.927 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.778 1.234 10.956 1.00 0.00 H new ATOM 0 HG22 ILE B 240 4.292 0.319 10.610 1.00 0.00 H new ATOM 0 HG23 ILE B 240 5.106 0.131 12.181 1.00 0.00 H new ATOM 0 HD11 ILE B 240 9.300 0.272 11.224 1.00 0.00 H new ATOM 0 HD12 ILE B 240 8.456 0.292 9.657 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.830 1.255 11.017 1.00 0.00 H new ATOM 1454 N ILE B 241 3.841 -2.681 8.901 1.00 0.00 N ATOM 1455 CA ILE B 241 2.568 -2.638 8.175 1.00 0.00 C ATOM 1456 C ILE B 241 1.497 -3.460 8.887 1.00 0.00 C ATOM 1457 O ILE B 241 0.302 -3.212 8.730 1.00 0.00 O ATOM 1458 CB ILE B 241 2.717 -3.144 6.717 1.00 0.00 C ATOM 1459 CG1 ILE B 241 4.025 -2.651 6.092 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.533 -2.696 5.872 1.00 0.00 C ATOM 1461 CD1 ILE B 241 4.251 -1.166 6.230 1.00 0.00 C ATOM 0 H ILE B 241 4.588 -3.176 8.413 1.00 0.00 H new ATOM 0 HA ILE B 241 2.261 -1.592 8.150 1.00 0.00 H new ATOM 0 HB ILE B 241 2.740 -4.233 6.744 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.858 -3.179 6.555 1.00 0.00 H new ATOM 0 HG13 ILE B 241 4.031 -2.912 5.034 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.655 -3.060 4.852 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.612 -3.099 6.293 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.483 -1.607 5.865 1.00 0.00 H new ATOM 0 HD11 ILE B 241 5.198 -0.897 5.762 1.00 0.00 H new ATOM 0 HD12 ILE B 241 3.439 -0.627 5.741 1.00 0.00 H new ATOM 0 HD13 ILE B 241 4.280 -0.899 7.286 1.00 0.00 H new TER 1473 ILE B 241