USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 ASN : amide:sc= 0.894 X(o=1.7,f=1.2) USER MOD Set 1.2: A 57 THR OG1 : rot -14:sc= 0.771 USER MOD Set 2.1: A 4 THR OG1 : rot 100:sc= 0.909 USER MOD Set 2.2: A 14 LYS NZ :NH3+ 180:sc= 0.976 (180deg=0) USER MOD Set 3.1: A 10 GLN : amide:sc= 0.271 X(o=0.53,f=0.073) USER MOD Set 3.2: B 289 TYR OH : rot 130:sc= 0.255 USER MOD Single : A 1 MET CE :methyl -177:sc= -0.355 (180deg=-0.379) USER MOD Single : A 1 MET N :NH3+ -164:sc= 2.16 (180deg=1.8) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.84 (180deg=1.29) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.16) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -111:sc= 0.496 (180deg=0.0112) USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.15) USER MOD Single : A 44 GLN : amide:sc= 0.757 K(o=0.76,f=-0.93) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 1.26 (180deg=0.798) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.15) USER MOD Single : A 62 TYR OH : rot 150:sc= 0.571 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 73 MET CE :methyl 177:sc= -0.664 (180deg=-0.67) USER MOD Single : B 286 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : B 291 MET CE :methyl 166:sc= 0 (180deg=-0.211) USER MOD Single : B 292 GLN : amide:sc= 0.624 K(o=0.62,f=-3.7e-05) USER MOD Single : B 293 MET CE :methyl 179:sc= -0.619 (180deg=-0.638) USER MOD Single : B 294 SER OG : rot -42:sc= 1.55 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.675 -1.702 -0.868 1.00 0.00 N ATOM 2 CA MET A 1 -3.697 -1.677 -1.981 1.00 0.00 C ATOM 3 C MET A 1 -2.552 -0.747 -1.626 1.00 0.00 C ATOM 4 O MET A 1 -2.743 0.447 -1.410 1.00 0.00 O ATOM 5 CB MET A 1 -4.325 -1.246 -3.317 1.00 0.00 C ATOM 6 CG MET A 1 -3.365 -1.411 -4.505 1.00 0.00 C ATOM 7 SD MET A 1 -3.974 -0.775 -6.094 1.00 0.00 S ATOM 8 CE MET A 1 -3.334 0.927 -6.051 1.00 0.00 C ATOM 0 H1 MET A 1 -5.306 -2.521 -0.978 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.169 -1.774 0.038 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.238 -0.828 -0.881 1.00 0.00 H new ATOM 0 HA MET A 1 -3.333 -2.695 -2.116 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.224 -1.835 -3.498 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.635 -0.203 -3.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.429 -0.907 -4.266 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.136 -2.470 -4.621 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.671 1.465 -6.937 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.702 1.432 -5.158 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.244 0.906 -6.032 1.00 0.00 H new ATOM 20 N GLN A 2 -1.347 -1.292 -1.561 1.00 0.00 N ATOM 21 CA GLN A 2 -0.139 -0.562 -1.175 1.00 0.00 C ATOM 22 C GLN A 2 0.443 0.229 -2.356 1.00 0.00 C ATOM 23 O GLN A 2 1.362 -0.223 -3.039 1.00 0.00 O ATOM 24 CB GLN A 2 0.884 -1.480 -0.494 1.00 0.00 C ATOM 25 CG GLN A 2 0.292 -2.377 0.603 1.00 0.00 C ATOM 26 CD GLN A 2 1.385 -3.130 1.358 1.00 0.00 C ATOM 27 OE1 GLN A 2 1.854 -4.185 0.949 1.00 0.00 O ATOM 28 NE2 GLN A 2 1.842 -2.625 2.486 1.00 0.00 N ATOM 0 H GLN A 2 -1.173 -2.273 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.419 0.179 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.350 -2.111 -1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.673 -0.867 -0.060 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.282 -1.769 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.401 -3.090 0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.464 -1.747 2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.574 -3.112 3.003 1.00 0.00 H new ATOM 37 N VAL A 3 -0.101 1.425 -2.595 1.00 0.00 N ATOM 38 CA VAL A 3 0.445 2.417 -3.533 1.00 0.00 C ATOM 39 C VAL A 3 1.856 2.798 -3.085 1.00 0.00 C ATOM 40 O VAL A 3 2.048 3.371 -2.010 1.00 0.00 O ATOM 41 CB VAL A 3 -0.452 3.670 -3.631 1.00 0.00 C ATOM 42 CG1 VAL A 3 0.151 4.739 -4.553 1.00 0.00 C ATOM 43 CG2 VAL A 3 -1.817 3.322 -4.230 1.00 0.00 C ATOM 0 H VAL A 3 -0.953 1.741 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 3 0.479 1.974 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.542 4.046 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.513 5.602 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.123 5.046 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.272 4.329 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.429 4.222 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.681 2.911 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.314 2.585 -3.599 1.00 0.00 H new ATOM 53 N THR A 4 2.855 2.479 -3.906 1.00 0.00 N ATOM 54 CA THR A 4 4.231 2.930 -3.678 1.00 0.00 C ATOM 55 C THR A 4 4.386 4.370 -4.134 1.00 0.00 C ATOM 56 O THR A 4 3.899 4.754 -5.200 1.00 0.00 O ATOM 57 CB THR A 4 5.231 2.113 -4.487 1.00 0.00 C ATOM 58 OG1 THR A 4 5.160 0.749 -4.140 1.00 0.00 O ATOM 59 CG2 THR A 4 6.670 2.574 -4.261 1.00 0.00 C ATOM 0 H THR A 4 2.738 1.906 -4.742 1.00 0.00 H new ATOM 0 HA THR A 4 4.426 2.817 -2.612 1.00 0.00 H new ATOM 0 HB THR A 4 4.965 2.260 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.634 0.267 -4.812 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.346 1.962 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.768 3.618 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.924 2.471 -3.206 1.00 0.00 H new ATOM 67 N LEU A 5 5.135 5.142 -3.356 1.00 0.00 N ATOM 68 CA LEU A 5 5.424 6.546 -3.580 1.00 0.00 C ATOM 69 C LEU A 5 6.915 6.797 -3.775 1.00 0.00 C ATOM 70 O LEU A 5 7.758 6.094 -3.212 1.00 0.00 O ATOM 71 CB LEU A 5 4.942 7.344 -2.357 1.00 0.00 C ATOM 72 CG LEU A 5 3.489 7.081 -1.933 1.00 0.00 C ATOM 73 CD1 LEU A 5 3.132 8.062 -0.825 1.00 0.00 C ATOM 74 CD2 LEU A 5 2.529 7.260 -3.097 1.00 0.00 C ATOM 0 H LEU A 5 5.578 4.784 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 5 4.910 6.860 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.596 7.117 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.054 8.407 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 5 3.401 6.051 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.103 7.894 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.802 7.914 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.235 9.082 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.510 7.066 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.599 8.281 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.788 6.562 -3.893 1.00 0.00 H new ATOM 86 N LYS A 6 7.211 7.867 -4.509 1.00 0.00 N ATOM 87 CA LYS A 6 8.536 8.469 -4.666 1.00 0.00 C ATOM 88 C LYS A 6 8.434 9.986 -4.491 1.00 0.00 C ATOM 89 O LYS A 6 7.552 10.621 -5.071 1.00 0.00 O ATOM 90 CB LYS A 6 9.196 8.043 -5.990 1.00 0.00 C ATOM 91 CG LYS A 6 10.607 8.650 -6.093 1.00 0.00 C ATOM 92 CD LYS A 6 11.509 8.006 -7.151 1.00 0.00 C ATOM 93 CE LYS A 6 12.081 6.664 -6.692 1.00 0.00 C ATOM 94 NZ LYS A 6 12.950 6.053 -7.733 1.00 0.00 N ATOM 0 H LYS A 6 6.496 8.365 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 6 9.200 8.098 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.254 6.956 -6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.587 8.372 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.514 9.713 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.094 8.567 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.940 7.860 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.328 8.685 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.655 6.807 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.264 5.983 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.320 5.145 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.396 5.894 -8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.743 6.693 -7.942 1.00 0.00 H new ATOM 108 N THR A 7 9.295 10.553 -3.651 1.00 0.00 N ATOM 109 CA THR A 7 9.363 11.991 -3.353 1.00 0.00 C ATOM 110 C THR A 7 10.156 12.756 -4.422 1.00 0.00 C ATOM 111 O THR A 7 10.867 12.163 -5.238 1.00 0.00 O ATOM 112 CB THR A 7 9.985 12.244 -1.965 1.00 0.00 C ATOM 113 OG1 THR A 7 11.389 12.076 -1.996 1.00 0.00 O ATOM 114 CG2 THR A 7 9.431 11.326 -0.868 1.00 0.00 C ATOM 0 H THR A 7 9.991 10.011 -3.139 1.00 0.00 H new ATOM 0 HA THR A 7 8.338 12.361 -3.354 1.00 0.00 H new ATOM 0 HB THR A 7 9.719 13.273 -1.723 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.758 12.244 -1.104 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.914 11.560 0.081 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.356 11.478 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.629 10.286 -1.129 1.00 0.00 H new ATOM 122 N LEU A 8 10.109 14.093 -4.389 1.00 0.00 N ATOM 123 CA LEU A 8 10.933 14.954 -5.252 1.00 0.00 C ATOM 124 C LEU A 8 12.448 14.846 -4.994 1.00 0.00 C ATOM 125 O LEU A 8 13.241 15.177 -5.876 1.00 0.00 O ATOM 126 CB LEU A 8 10.481 16.413 -5.107 1.00 0.00 C ATOM 127 CG LEU A 8 9.078 16.712 -5.654 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.776 18.202 -5.526 1.00 0.00 C ATOM 129 CD2 LEU A 8 8.938 16.393 -7.136 1.00 0.00 C ATOM 0 H LEU A 8 9.496 14.612 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 8 10.778 14.599 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.509 16.684 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.199 17.053 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 8 8.398 16.089 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.779 18.406 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.822 18.494 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.511 18.772 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.925 16.625 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.650 16.990 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.139 15.334 -7.301 1.00 0.00 H new ATOM 141 N GLN A 9 12.857 14.341 -3.826 1.00 0.00 N ATOM 142 CA GLN A 9 14.253 14.042 -3.479 1.00 0.00 C ATOM 143 C GLN A 9 14.600 12.551 -3.716 1.00 0.00 C ATOM 144 O GLN A 9 15.617 12.050 -3.233 1.00 0.00 O ATOM 145 CB GLN A 9 14.524 14.555 -2.050 1.00 0.00 C ATOM 146 CG GLN A 9 16.007 14.893 -1.808 1.00 0.00 C ATOM 147 CD GLN A 9 16.221 15.601 -0.470 1.00 0.00 C ATOM 148 OE1 GLN A 9 16.006 15.044 0.600 1.00 0.00 O ATOM 149 NE2 GLN A 9 16.662 16.843 -0.455 1.00 0.00 N ATOM 0 H GLN A 9 12.207 14.122 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 9 14.935 14.570 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 9 13.919 15.443 -1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.206 13.799 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 9 16.596 13.976 -1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 9 16.371 15.527 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 9 16.849 17.329 -1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 9 16.817 17.319 0.434 1.00 0.00 H new ATOM 158 N GLN A 10 13.761 11.838 -4.483 1.00 0.00 N ATOM 159 CA GLN A 10 13.900 10.435 -4.904 1.00 0.00 C ATOM 160 C GLN A 10 13.930 9.411 -3.749 1.00 0.00 C ATOM 161 O GLN A 10 14.460 8.307 -3.899 1.00 0.00 O ATOM 162 CB GLN A 10 15.056 10.276 -5.915 1.00 0.00 C ATOM 163 CG GLN A 10 14.803 11.042 -7.224 1.00 0.00 C ATOM 164 CD GLN A 10 15.902 10.806 -8.263 1.00 0.00 C ATOM 165 OE1 GLN A 10 16.379 9.698 -8.476 1.00 0.00 O ATOM 166 NE2 GLN A 10 16.346 11.824 -8.969 1.00 0.00 N ATOM 0 H GLN A 10 12.907 12.256 -4.852 1.00 0.00 H new ATOM 0 HA GLN A 10 12.977 10.178 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.982 10.632 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.196 9.218 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.843 10.737 -7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.733 12.108 -7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.966 12.758 -8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 10 17.070 11.679 -9.673 1.00 0.00 H new ATOM 175 N GLN A 11 13.301 9.734 -2.615 1.00 0.00 N ATOM 176 CA GLN A 11 13.087 8.798 -1.501 1.00 0.00 C ATOM 177 C GLN A 11 11.766 8.052 -1.708 1.00 0.00 C ATOM 178 O GLN A 11 10.886 8.564 -2.397 1.00 0.00 O ATOM 179 CB GLN A 11 13.079 9.554 -0.165 1.00 0.00 C ATOM 180 CG GLN A 11 14.361 10.378 0.018 1.00 0.00 C ATOM 181 CD GLN A 11 14.435 11.018 1.403 1.00 0.00 C ATOM 182 OE1 GLN A 11 13.638 11.873 1.771 1.00 0.00 O ATOM 183 NE2 GLN A 11 15.389 10.640 2.231 1.00 0.00 N ATOM 0 H GLN A 11 12.920 10.664 -2.440 1.00 0.00 H new ATOM 0 HA GLN A 11 13.902 8.074 -1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.212 10.213 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.980 8.844 0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 11 15.229 9.736 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.404 11.156 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 11 16.062 9.930 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.454 11.058 3.159 1.00 0.00 H new ATOM 192 N THR A 12 11.607 6.846 -1.159 1.00 0.00 N ATOM 193 CA THR A 12 10.450 5.984 -1.467 1.00 0.00 C ATOM 194 C THR A 12 9.825 5.326 -0.236 1.00 0.00 C ATOM 195 O THR A 12 10.511 4.978 0.730 1.00 0.00 O ATOM 196 CB THR A 12 10.802 4.917 -2.520 1.00 0.00 C ATOM 197 OG1 THR A 12 11.895 4.125 -2.097 1.00 0.00 O ATOM 198 CG2 THR A 12 11.178 5.527 -3.875 1.00 0.00 C ATOM 0 H THR A 12 12.265 6.437 -0.495 1.00 0.00 H new ATOM 0 HA THR A 12 9.697 6.656 -1.878 1.00 0.00 H new ATOM 0 HB THR A 12 9.902 4.312 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.097 3.454 -2.782 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.417 4.730 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.340 6.110 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.045 6.176 -3.754 1.00 0.00 H new ATOM 206 N PHE A 13 8.500 5.161 -0.283 1.00 0.00 N ATOM 207 CA PHE A 13 7.638 4.619 0.779 1.00 0.00 C ATOM 208 C PHE A 13 6.440 3.858 0.177 1.00 0.00 C ATOM 209 O PHE A 13 6.188 3.953 -1.025 1.00 0.00 O ATOM 210 CB PHE A 13 7.119 5.778 1.655 1.00 0.00 C ATOM 211 CG PHE A 13 8.181 6.667 2.281 1.00 0.00 C ATOM 212 CD1 PHE A 13 8.992 6.175 3.321 1.00 0.00 C ATOM 213 CD2 PHE A 13 8.361 7.989 1.825 1.00 0.00 C ATOM 214 CE1 PHE A 13 9.987 6.991 3.891 1.00 0.00 C ATOM 215 CE2 PHE A 13 9.351 8.807 2.399 1.00 0.00 C ATOM 216 CZ PHE A 13 10.167 8.307 3.429 1.00 0.00 C ATOM 0 H PHE A 13 7.965 5.417 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 13 8.223 3.925 1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.464 6.402 1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.508 5.358 2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.850 5.167 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.737 8.375 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 13 10.612 6.607 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.484 9.820 2.048 1.00 0.00 H new ATOM 0 HZ PHE A 13 10.931 8.933 3.865 1.00 0.00 H new ATOM 226 N LYS A 14 5.653 3.157 1.002 1.00 0.00 N ATOM 227 CA LYS A 14 4.357 2.559 0.623 1.00 0.00 C ATOM 228 C LYS A 14 3.221 3.069 1.511 1.00 0.00 C ATOM 229 O LYS A 14 3.393 3.241 2.719 1.00 0.00 O ATOM 230 CB LYS A 14 4.437 1.025 0.676 1.00 0.00 C ATOM 231 CG LYS A 14 5.342 0.458 -0.426 1.00 0.00 C ATOM 232 CD LYS A 14 5.400 -1.073 -0.350 1.00 0.00 C ATOM 233 CE LYS A 14 6.419 -1.633 -1.348 1.00 0.00 C ATOM 234 NZ LYS A 14 5.924 -1.599 -2.749 1.00 0.00 N ATOM 0 H LYS A 14 5.901 2.983 1.976 1.00 0.00 H new ATOM 0 HA LYS A 14 4.138 2.864 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.815 0.715 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.436 0.606 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.968 0.764 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.346 0.870 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.668 -1.381 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.414 -1.489 -0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.343 -1.059 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.661 -2.661 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.650 -1.988 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.057 -2.168 -2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.718 -0.616 -3.021 1.00 0.00 H new ATOM 248 N ILE A 15 2.052 3.268 0.905 1.00 0.00 N ATOM 249 CA ILE A 15 0.795 3.691 1.532 1.00 0.00 C ATOM 250 C ILE A 15 -0.301 2.698 1.150 1.00 0.00 C ATOM 251 O ILE A 15 -0.730 2.631 -0.001 1.00 0.00 O ATOM 252 CB ILE A 15 0.470 5.155 1.148 1.00 0.00 C ATOM 253 CG1 ILE A 15 1.339 6.133 1.970 1.00 0.00 C ATOM 254 CG2 ILE A 15 -1.017 5.515 1.292 1.00 0.00 C ATOM 255 CD1 ILE A 15 0.958 6.313 3.447 1.00 0.00 C ATOM 0 H ILE A 15 1.948 3.130 -0.100 1.00 0.00 H new ATOM 0 HA ILE A 15 0.878 3.682 2.619 1.00 0.00 H new ATOM 0 HB ILE A 15 0.707 5.250 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.373 5.792 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.303 7.110 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.169 6.556 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.612 4.870 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.327 5.375 2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.641 7.022 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.062 6.691 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.025 5.353 3.959 1.00 0.00 H new ATOM 267 N ASP A 16 -0.728 1.885 2.116 1.00 0.00 N ATOM 268 CA ASP A 16 -1.885 0.998 1.957 1.00 0.00 C ATOM 269 C ASP A 16 -3.195 1.807 1.944 1.00 0.00 C ATOM 270 O ASP A 16 -3.671 2.251 2.992 1.00 0.00 O ATOM 271 CB ASP A 16 -1.924 -0.075 3.051 1.00 0.00 C ATOM 272 CG ASP A 16 -3.057 -1.090 2.796 1.00 0.00 C ATOM 273 OD1 ASP A 16 -3.306 -1.442 1.616 1.00 0.00 O ATOM 274 OD2 ASP A 16 -3.698 -1.536 3.776 1.00 0.00 O ATOM 0 H ASP A 16 -0.283 1.821 3.032 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.782 0.491 0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.967 -0.596 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.067 0.398 4.023 1.00 0.00 H new ATOM 279 N ILE A 17 -3.771 2.014 0.763 1.00 0.00 N ATOM 280 CA ILE A 17 -5.016 2.756 0.516 1.00 0.00 C ATOM 281 C ILE A 17 -6.056 1.863 -0.181 1.00 0.00 C ATOM 282 O ILE A 17 -5.710 0.932 -0.910 1.00 0.00 O ATOM 283 CB ILE A 17 -4.700 4.061 -0.261 1.00 0.00 C ATOM 284 CG1 ILE A 17 -5.951 4.904 -0.593 1.00 0.00 C ATOM 285 CG2 ILE A 17 -3.908 3.800 -1.558 1.00 0.00 C ATOM 286 CD1 ILE A 17 -6.728 5.375 0.643 1.00 0.00 C ATOM 0 H ILE A 17 -3.364 1.651 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.467 3.050 1.464 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.081 4.637 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.647 5.775 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.616 4.316 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.714 4.747 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.961 3.317 -1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.488 3.152 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.592 5.960 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.064 4.509 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.080 5.991 1.267 1.00 0.00 H new ATOM 298 N ASP A 18 -7.348 2.115 0.040 1.00 0.00 N ATOM 299 CA ASP A 18 -8.424 1.400 -0.664 1.00 0.00 C ATOM 300 C ASP A 18 -8.500 1.842 -2.150 1.00 0.00 C ATOM 301 O ASP A 18 -8.723 3.027 -2.413 1.00 0.00 O ATOM 302 CB ASP A 18 -9.748 1.632 0.075 1.00 0.00 C ATOM 303 CG ASP A 18 -10.875 0.730 -0.459 1.00 0.00 C ATOM 304 OD1 ASP A 18 -11.124 0.729 -1.687 1.00 0.00 O ATOM 305 OD2 ASP A 18 -11.500 0.005 0.352 1.00 0.00 O ATOM 0 H ASP A 18 -7.680 2.813 0.705 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.214 0.330 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.607 1.443 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.041 2.677 -0.027 1.00 0.00 H new ATOM 310 N PRO A 19 -8.312 0.945 -3.141 1.00 0.00 N ATOM 311 CA PRO A 19 -8.243 1.321 -4.558 1.00 0.00 C ATOM 312 C PRO A 19 -9.594 1.735 -5.172 1.00 0.00 C ATOM 313 O PRO A 19 -9.619 2.298 -6.269 1.00 0.00 O ATOM 314 CB PRO A 19 -7.672 0.088 -5.263 1.00 0.00 C ATOM 315 CG PRO A 19 -8.191 -1.068 -4.411 1.00 0.00 C ATOM 316 CD PRO A 19 -8.136 -0.494 -2.995 1.00 0.00 C ATOM 0 HA PRO A 19 -7.625 2.211 -4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.018 0.016 -6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.583 0.109 -5.294 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.204 -1.355 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.568 -1.957 -4.512 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.919 -0.922 -2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.184 -0.725 -2.517 1.00 0.00 H new ATOM 324 N GLU A 20 -10.722 1.483 -4.501 1.00 0.00 N ATOM 325 CA GLU A 20 -12.036 1.977 -4.901 1.00 0.00 C ATOM 326 C GLU A 20 -12.344 3.373 -4.325 1.00 0.00 C ATOM 327 O GLU A 20 -13.271 4.041 -4.788 1.00 0.00 O ATOM 328 CB GLU A 20 -13.104 0.956 -4.496 1.00 0.00 C ATOM 329 CG GLU A 20 -12.851 -0.433 -5.105 1.00 0.00 C ATOM 330 CD GLU A 20 -14.148 -1.256 -5.181 1.00 0.00 C ATOM 331 OE1 GLU A 20 -14.853 -1.152 -6.216 1.00 0.00 O ATOM 332 OE2 GLU A 20 -14.466 -2.013 -4.231 1.00 0.00 O ATOM 0 H GLU A 20 -10.744 0.920 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.040 2.095 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.130 0.874 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.084 1.315 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.429 -0.323 -6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.114 -0.967 -4.505 1.00 0.00 H new ATOM 339 N GLU A 21 -11.562 3.839 -3.343 1.00 0.00 N ATOM 340 CA GLU A 21 -11.586 5.222 -2.855 1.00 0.00 C ATOM 341 C GLU A 21 -10.767 6.148 -3.781 1.00 0.00 C ATOM 342 O GLU A 21 -10.220 5.733 -4.812 1.00 0.00 O ATOM 343 CB GLU A 21 -11.100 5.299 -1.394 1.00 0.00 C ATOM 344 CG GLU A 21 -12.022 4.595 -0.388 1.00 0.00 C ATOM 345 CD GLU A 21 -13.435 5.215 -0.325 1.00 0.00 C ATOM 346 OE1 GLU A 21 -13.561 6.461 -0.247 1.00 0.00 O ATOM 347 OE2 GLU A 21 -14.436 4.458 -0.337 1.00 0.00 O ATOM 0 H GLU A 21 -10.883 3.254 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.618 5.573 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.106 4.857 -1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.003 6.347 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.105 3.542 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.569 4.637 0.602 1.00 0.00 H new ATOM 354 N THR A 22 -10.718 7.438 -3.447 1.00 0.00 N ATOM 355 CA THR A 22 -10.181 8.482 -4.326 1.00 0.00 C ATOM 356 C THR A 22 -8.714 8.841 -4.102 1.00 0.00 C ATOM 357 O THR A 22 -8.053 8.400 -3.160 1.00 0.00 O ATOM 358 CB THR A 22 -11.054 9.739 -4.281 1.00 0.00 C ATOM 359 OG1 THR A 22 -10.903 10.366 -3.025 1.00 0.00 O ATOM 360 CG2 THR A 22 -12.538 9.462 -4.511 1.00 0.00 C ATOM 0 H THR A 22 -11.052 7.793 -2.551 1.00 0.00 H new ATOM 0 HA THR A 22 -10.212 8.040 -5.322 1.00 0.00 H new ATOM 0 HB THR A 22 -10.716 10.380 -5.095 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.459 11.172 -2.993 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.094 10.398 -4.465 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.675 9.006 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.905 8.784 -3.741 1.00 0.00 H new ATOM 368 N VAL A 23 -8.194 9.697 -4.980 1.00 0.00 N ATOM 369 CA VAL A 23 -6.877 10.334 -4.837 1.00 0.00 C ATOM 370 C VAL A 23 -6.820 11.204 -3.572 1.00 0.00 C ATOM 371 O VAL A 23 -5.803 11.215 -2.878 1.00 0.00 O ATOM 372 CB VAL A 23 -6.592 11.175 -6.091 1.00 0.00 C ATOM 373 CG1 VAL A 23 -5.293 11.983 -6.006 1.00 0.00 C ATOM 374 CG2 VAL A 23 -6.531 10.290 -7.343 1.00 0.00 C ATOM 0 H VAL A 23 -8.683 9.976 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.114 9.563 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.421 11.880 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.157 12.552 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.346 12.668 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.451 11.304 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.328 10.909 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.737 9.552 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.485 9.779 -7.474 1.00 0.00 H new ATOM 384 N LYS A 24 -7.915 11.887 -3.206 1.00 0.00 N ATOM 385 CA LYS A 24 -8.032 12.572 -1.910 1.00 0.00 C ATOM 386 C LYS A 24 -7.925 11.598 -0.731 1.00 0.00 C ATOM 387 O LYS A 24 -7.290 11.932 0.265 1.00 0.00 O ATOM 388 CB LYS A 24 -9.331 13.389 -1.878 1.00 0.00 C ATOM 389 CG LYS A 24 -9.398 14.321 -0.658 1.00 0.00 C ATOM 390 CD LYS A 24 -10.575 15.302 -0.748 1.00 0.00 C ATOM 391 CE LYS A 24 -11.931 14.593 -0.636 1.00 0.00 C ATOM 392 NZ LYS A 24 -13.058 15.563 -0.664 1.00 0.00 N ATOM 0 H LYS A 24 -8.741 11.980 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.192 13.258 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.409 13.981 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.185 12.711 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.492 13.724 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.466 14.880 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.488 16.044 0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.526 15.840 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.040 13.883 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.967 14.019 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.959 15.050 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.966 16.225 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.037 16.093 -1.558 1.00 0.00 H new ATOM 406 N ALA A 25 -8.471 10.383 -0.844 1.00 0.00 N ATOM 407 CA ALA A 25 -8.290 9.331 0.162 1.00 0.00 C ATOM 408 C ALA A 25 -6.820 8.856 0.281 1.00 0.00 C ATOM 409 O ALA A 25 -6.323 8.671 1.391 1.00 0.00 O ATOM 410 CB ALA A 25 -9.266 8.185 -0.110 1.00 0.00 C ATOM 0 H ALA A 25 -9.050 10.101 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.523 9.752 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.129 7.405 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.289 8.559 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.077 7.773 -1.101 1.00 0.00 H new ATOM 416 N LEU A 26 -6.086 8.719 -0.832 1.00 0.00 N ATOM 417 CA LEU A 26 -4.634 8.489 -0.842 1.00 0.00 C ATOM 418 C LEU A 26 -3.896 9.586 -0.050 1.00 0.00 C ATOM 419 O LEU A 26 -3.185 9.287 0.911 1.00 0.00 O ATOM 420 CB LEU A 26 -4.176 8.332 -2.310 1.00 0.00 C ATOM 421 CG LEU A 26 -2.665 8.379 -2.583 1.00 0.00 C ATOM 422 CD1 LEU A 26 -1.917 7.400 -1.693 1.00 0.00 C ATOM 423 CD2 LEU A 26 -2.394 8.012 -4.042 1.00 0.00 C ATOM 0 H LEU A 26 -6.491 8.766 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.378 7.564 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.557 7.381 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.650 9.118 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.318 9.390 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.850 7.455 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.090 7.654 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.274 6.388 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.321 8.046 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.766 7.007 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.901 8.721 -4.696 1.00 0.00 H new ATOM 435 N LYS A 27 -4.120 10.858 -0.395 1.00 0.00 N ATOM 436 CA LYS A 27 -3.641 12.029 0.370 1.00 0.00 C ATOM 437 C LYS A 27 -4.004 11.967 1.864 1.00 0.00 C ATOM 438 O LYS A 27 -3.158 12.275 2.698 1.00 0.00 O ATOM 439 CB LYS A 27 -4.139 13.341 -0.259 1.00 0.00 C ATOM 440 CG LYS A 27 -3.560 13.603 -1.657 1.00 0.00 C ATOM 441 CD LYS A 27 -4.141 14.901 -2.234 1.00 0.00 C ATOM 442 CE LYS A 27 -3.595 15.172 -3.641 1.00 0.00 C ATOM 443 NZ LYS A 27 -4.054 16.491 -4.141 1.00 0.00 N ATOM 0 H LYS A 27 -4.649 11.115 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.553 12.003 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.227 13.315 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.878 14.172 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.474 13.675 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.791 12.767 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.228 14.832 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.896 15.736 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.505 15.144 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.924 14.386 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.973 16.517 -5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.046 16.640 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.465 17.243 -3.729 1.00 0.00 H new ATOM 457 N GLU A 28 -5.217 11.535 2.216 1.00 0.00 N ATOM 458 CA GLU A 28 -5.658 11.273 3.601 1.00 0.00 C ATOM 459 C GLU A 28 -4.707 10.316 4.333 1.00 0.00 C ATOM 460 O GLU A 28 -4.220 10.638 5.420 1.00 0.00 O ATOM 461 CB GLU A 28 -7.147 10.848 3.632 1.00 0.00 C ATOM 462 CG GLU A 28 -7.544 9.498 4.266 1.00 0.00 C ATOM 463 CD GLU A 28 -7.458 9.483 5.808 1.00 0.00 C ATOM 464 OE1 GLU A 28 -8.046 10.376 6.466 1.00 0.00 O ATOM 465 OE2 GLU A 28 -6.840 8.550 6.375 1.00 0.00 O ATOM 0 H GLU A 28 -5.947 11.350 1.528 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.602 12.202 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.698 11.629 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.505 10.842 2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.563 9.252 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.897 8.716 3.868 1.00 0.00 H new ATOM 472 N LYS A 29 -4.394 9.163 3.732 1.00 0.00 N ATOM 473 CA LYS A 29 -3.508 8.162 4.321 1.00 0.00 C ATOM 474 C LYS A 29 -2.048 8.622 4.366 1.00 0.00 C ATOM 475 O LYS A 29 -1.374 8.361 5.361 1.00 0.00 O ATOM 476 CB LYS A 29 -3.726 6.837 3.579 1.00 0.00 C ATOM 477 CG LYS A 29 -3.148 5.621 4.310 1.00 0.00 C ATOM 478 CD LYS A 29 -3.768 5.367 5.696 1.00 0.00 C ATOM 479 CE LYS A 29 -3.310 4.036 6.310 1.00 0.00 C ATOM 480 NZ LYS A 29 -4.006 2.866 5.712 1.00 0.00 N ATOM 0 H LYS A 29 -4.754 8.899 2.815 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.759 8.013 5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.795 6.686 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.272 6.905 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.293 4.736 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.073 5.757 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.499 6.184 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.855 5.369 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.235 3.926 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.492 4.053 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.726 2.001 6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.035 2.996 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.745 2.782 4.709 1.00 0.00 H new ATOM 494 N ILE A 30 -1.582 9.368 3.358 1.00 0.00 N ATOM 495 CA ILE A 30 -0.278 10.060 3.362 1.00 0.00 C ATOM 496 C ILE A 30 -0.183 10.999 4.574 1.00 0.00 C ATOM 497 O ILE A 30 0.749 10.880 5.366 1.00 0.00 O ATOM 498 CB ILE A 30 -0.032 10.801 2.024 1.00 0.00 C ATOM 499 CG1 ILE A 30 0.199 9.781 0.888 1.00 0.00 C ATOM 500 CG2 ILE A 30 1.181 11.751 2.114 1.00 0.00 C ATOM 501 CD1 ILE A 30 0.024 10.354 -0.525 1.00 0.00 C ATOM 0 H ILE A 30 -2.108 9.514 2.496 1.00 0.00 H new ATOM 0 HA ILE A 30 0.515 9.317 3.455 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.919 11.398 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.207 9.375 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.493 8.949 1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.322 12.253 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.004 12.495 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.075 11.177 2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.205 9.570 -1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.991 10.733 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.734 11.166 -0.679 1.00 0.00 H new ATOM 513 N GLU A 31 -1.153 11.899 4.756 1.00 0.00 N ATOM 514 CA GLU A 31 -1.211 12.814 5.902 1.00 0.00 C ATOM 515 C GLU A 31 -1.243 12.061 7.245 1.00 0.00 C ATOM 516 O GLU A 31 -0.490 12.395 8.161 1.00 0.00 O ATOM 517 CB GLU A 31 -2.425 13.749 5.756 1.00 0.00 C ATOM 518 CG GLU A 31 -2.426 14.839 6.834 1.00 0.00 C ATOM 519 CD GLU A 31 -3.733 15.647 6.860 1.00 0.00 C ATOM 520 OE1 GLU A 31 -4.687 15.220 7.553 1.00 0.00 O ATOM 521 OE2 GLU A 31 -3.790 16.739 6.250 1.00 0.00 O ATOM 0 H GLU A 31 -1.930 12.015 4.105 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.300 13.412 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.413 14.212 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.344 13.167 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.269 14.379 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.589 15.515 6.662 1.00 0.00 H new ATOM 528 N SER A 32 -2.086 11.031 7.364 1.00 0.00 N ATOM 529 CA SER A 32 -2.214 10.196 8.565 1.00 0.00 C ATOM 530 C SER A 32 -0.895 9.504 8.949 1.00 0.00 C ATOM 531 O SER A 32 -0.469 9.566 10.105 1.00 0.00 O ATOM 532 CB SER A 32 -3.328 9.164 8.351 1.00 0.00 C ATOM 533 OG SER A 32 -3.584 8.447 9.548 1.00 0.00 O ATOM 0 H SER A 32 -2.713 10.747 6.612 1.00 0.00 H new ATOM 0 HA SER A 32 -2.471 10.849 9.399 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.237 9.666 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.041 8.471 7.560 1.00 0.00 H new ATOM 0 HG SER A 32 -4.298 7.795 9.392 1.00 0.00 H new ATOM 539 N GLU A 33 -0.222 8.864 7.988 1.00 0.00 N ATOM 540 CA GLU A 33 1.034 8.132 8.194 1.00 0.00 C ATOM 541 C GLU A 33 2.238 9.068 8.421 1.00 0.00 C ATOM 542 O GLU A 33 2.970 8.918 9.403 1.00 0.00 O ATOM 543 CB GLU A 33 1.278 7.218 6.980 1.00 0.00 C ATOM 544 CG GLU A 33 2.397 6.187 7.181 1.00 0.00 C ATOM 545 CD GLU A 33 2.009 5.109 8.214 1.00 0.00 C ATOM 546 OE1 GLU A 33 1.282 4.150 7.856 1.00 0.00 O ATOM 547 OE2 GLU A 33 2.433 5.207 9.392 1.00 0.00 O ATOM 0 H GLU A 33 -0.543 8.839 7.020 1.00 0.00 H new ATOM 0 HA GLU A 33 0.936 7.537 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.353 6.692 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.521 7.837 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.627 5.710 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.304 6.695 7.510 1.00 0.00 H new ATOM 554 N LYS A 34 2.467 10.021 7.504 1.00 0.00 N ATOM 555 CA LYS A 34 3.671 10.875 7.455 1.00 0.00 C ATOM 556 C LYS A 34 3.576 12.146 8.319 1.00 0.00 C ATOM 557 O LYS A 34 4.592 12.799 8.564 1.00 0.00 O ATOM 558 CB LYS A 34 3.998 11.235 5.991 1.00 0.00 C ATOM 559 CG LYS A 34 4.048 10.054 5.001 1.00 0.00 C ATOM 560 CD LYS A 34 5.025 8.932 5.384 1.00 0.00 C ATOM 561 CE LYS A 34 6.483 9.410 5.364 1.00 0.00 C ATOM 562 NZ LYS A 34 7.428 8.298 5.645 1.00 0.00 N ATOM 0 H LYS A 34 1.805 10.227 6.756 1.00 0.00 H new ATOM 0 HA LYS A 34 4.482 10.289 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.253 11.948 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.962 11.743 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.048 9.631 4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.322 10.435 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.779 8.560 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.907 8.097 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.711 9.844 4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.618 10.199 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.871 8.445 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.911 7.395 5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.164 8.274 4.911 1.00 0.00 H new ATOM 576 N GLY A 35 2.378 12.470 8.807 1.00 0.00 N ATOM 577 CA GLY A 35 2.058 13.577 9.719 1.00 0.00 C ATOM 578 C GLY A 35 1.591 14.856 9.008 1.00 0.00 C ATOM 579 O GLY A 35 2.117 15.227 7.953 1.00 0.00 O ATOM 0 H GLY A 35 1.547 11.932 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.279 13.252 10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.939 13.807 10.318 1.00 0.00 H new ATOM 583 N LYS A 36 0.638 15.578 9.621 1.00 0.00 N ATOM 584 CA LYS A 36 0.042 16.823 9.085 1.00 0.00 C ATOM 585 C LYS A 36 1.038 17.977 8.940 1.00 0.00 C ATOM 586 O LYS A 36 0.853 18.838 8.085 1.00 0.00 O ATOM 587 CB LYS A 36 -1.124 17.317 9.964 1.00 0.00 C ATOM 588 CG LYS A 36 -2.256 16.308 10.201 1.00 0.00 C ATOM 589 CD LYS A 36 -3.346 16.900 11.107 1.00 0.00 C ATOM 590 CE LYS A 36 -4.534 15.942 11.289 1.00 0.00 C ATOM 591 NZ LYS A 36 -5.455 15.938 10.121 1.00 0.00 N ATOM 0 H LYS A 36 0.248 15.310 10.525 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.310 16.546 8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.722 17.618 10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.549 18.209 9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.692 16.016 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.852 15.404 10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.918 17.134 12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.700 17.838 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.159 14.932 11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.090 16.225 12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.189 15.215 10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.902 16.872 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.918 15.724 9.256 1.00 0.00 H new ATOM 605 N ASP A 37 2.076 18.016 9.776 1.00 0.00 N ATOM 606 CA ASP A 37 3.092 19.077 9.786 1.00 0.00 C ATOM 607 C ASP A 37 3.873 19.119 8.469 1.00 0.00 C ATOM 608 O ASP A 37 3.920 20.127 7.762 1.00 0.00 O ATOM 609 CB ASP A 37 4.065 18.826 10.950 1.00 0.00 C ATOM 610 CG ASP A 37 4.892 20.075 11.300 1.00 0.00 C ATOM 611 OD1 ASP A 37 4.306 21.180 11.399 1.00 0.00 O ATOM 612 OD2 ASP A 37 6.127 19.955 11.477 1.00 0.00 O ATOM 0 H ASP A 37 2.240 17.297 10.481 1.00 0.00 H new ATOM 0 HA ASP A 37 2.588 20.036 9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.503 18.507 11.828 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.738 18.009 10.688 1.00 0.00 H new ATOM 617 N ALA A 38 4.486 17.976 8.174 1.00 0.00 N ATOM 618 CA ALA A 38 5.297 17.724 6.987 1.00 0.00 C ATOM 619 C ALA A 38 4.464 17.531 5.701 1.00 0.00 C ATOM 620 O ALA A 38 4.855 18.034 4.645 1.00 0.00 O ATOM 621 CB ALA A 38 6.183 16.506 7.275 1.00 0.00 C ATOM 0 H ALA A 38 4.428 17.162 8.785 1.00 0.00 H new ATOM 0 HA ALA A 38 5.907 18.605 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.802 16.292 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.823 16.716 8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.555 15.643 7.494 1.00 0.00 H new ATOM 627 N PHE A 39 3.327 16.820 5.770 1.00 0.00 N ATOM 628 CA PHE A 39 2.536 16.411 4.598 1.00 0.00 C ATOM 629 C PHE A 39 1.007 16.591 4.788 1.00 0.00 C ATOM 630 O PHE A 39 0.272 15.600 4.819 1.00 0.00 O ATOM 631 CB PHE A 39 2.908 14.965 4.213 1.00 0.00 C ATOM 632 CG PHE A 39 4.371 14.745 3.865 1.00 0.00 C ATOM 633 CD1 PHE A 39 4.846 15.023 2.569 1.00 0.00 C ATOM 634 CD2 PHE A 39 5.263 14.259 4.838 1.00 0.00 C ATOM 635 CE1 PHE A 39 6.199 14.813 2.248 1.00 0.00 C ATOM 636 CE2 PHE A 39 6.616 14.044 4.519 1.00 0.00 C ATOM 637 CZ PHE A 39 7.085 14.321 3.223 1.00 0.00 C ATOM 0 H PHE A 39 2.926 16.509 6.654 1.00 0.00 H new ATOM 0 HA PHE A 39 2.790 17.080 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.645 14.306 5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.299 14.665 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.168 15.399 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.907 14.050 5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.558 15.030 1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.294 13.666 5.270 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.124 14.156 2.977 1.00 0.00 H new ATOM 647 N PRO A 40 0.487 17.834 4.869 1.00 0.00 N ATOM 648 CA PRO A 40 -0.957 18.097 4.954 1.00 0.00 C ATOM 649 C PRO A 40 -1.652 17.803 3.609 1.00 0.00 C ATOM 650 O PRO A 40 -1.083 18.111 2.557 1.00 0.00 O ATOM 651 CB PRO A 40 -1.062 19.586 5.304 1.00 0.00 C ATOM 652 CG PRO A 40 0.193 20.198 4.679 1.00 0.00 C ATOM 653 CD PRO A 40 1.234 19.085 4.804 1.00 0.00 C ATOM 0 HA PRO A 40 -1.445 17.463 5.694 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.970 20.030 4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.089 19.742 6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.028 20.478 3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.505 21.100 5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.913 19.089 3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.844 19.221 5.697 1.00 0.00 H new ATOM 661 N VAL A 41 -2.891 17.287 3.608 1.00 0.00 N ATOM 662 CA VAL A 41 -3.686 16.947 2.396 1.00 0.00 C ATOM 663 C VAL A 41 -3.710 18.096 1.389 1.00 0.00 C ATOM 664 O VAL A 41 -3.346 17.917 0.226 1.00 0.00 O ATOM 665 CB VAL A 41 -5.137 16.542 2.755 1.00 0.00 C ATOM 666 CG1 VAL A 41 -6.070 16.418 1.538 1.00 0.00 C ATOM 667 CG2 VAL A 41 -5.163 15.184 3.452 1.00 0.00 C ATOM 0 H VAL A 41 -3.392 17.085 4.473 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.189 16.093 1.936 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.493 17.347 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.067 16.131 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.122 17.376 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.683 15.659 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.192 14.919 3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.740 14.428 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.575 15.234 4.369 1.00 0.00 H new ATOM 677 N ALA A 42 -4.104 19.285 1.851 1.00 0.00 N ATOM 678 CA ALA A 42 -4.220 20.505 1.046 1.00 0.00 C ATOM 679 C ALA A 42 -2.894 20.985 0.408 1.00 0.00 C ATOM 680 O ALA A 42 -2.920 21.793 -0.524 1.00 0.00 O ATOM 681 CB ALA A 42 -4.836 21.596 1.932 1.00 0.00 C ATOM 0 H ALA A 42 -4.360 19.431 2.828 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.859 20.279 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.935 22.518 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.820 21.274 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.192 21.772 2.793 1.00 0.00 H new ATOM 687 N GLY A 43 -1.743 20.482 0.874 1.00 0.00 N ATOM 688 CA GLY A 43 -0.416 20.762 0.315 1.00 0.00 C ATOM 689 C GLY A 43 0.080 19.727 -0.705 1.00 0.00 C ATOM 690 O GLY A 43 1.032 20.011 -1.432 1.00 0.00 O ATOM 0 H GLY A 43 -1.710 19.850 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.437 21.742 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.303 20.821 1.132 1.00 0.00 H new ATOM 694 N GLN A 44 -0.520 18.531 -0.768 1.00 0.00 N ATOM 695 CA GLN A 44 -0.041 17.440 -1.629 1.00 0.00 C ATOM 696 C GLN A 44 -0.510 17.577 -3.087 1.00 0.00 C ATOM 697 O GLN A 44 -1.662 17.934 -3.357 1.00 0.00 O ATOM 698 CB GLN A 44 -0.534 16.066 -1.130 1.00 0.00 C ATOM 699 CG GLN A 44 -0.243 15.709 0.332 1.00 0.00 C ATOM 700 CD GLN A 44 1.182 16.053 0.737 1.00 0.00 C ATOM 701 OE1 GLN A 44 2.144 15.423 0.328 1.00 0.00 O ATOM 702 NE2 GLN A 44 1.373 17.085 1.528 1.00 0.00 N ATOM 0 H GLN A 44 -1.350 18.292 -0.225 1.00 0.00 H new ATOM 0 HA GLN A 44 1.046 17.508 -1.584 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.612 16.018 -1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.089 15.297 -1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.941 16.240 0.979 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.415 14.643 0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.574 17.617 1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.320 17.354 1.796 1.00 0.00 H new ATOM 711 N LYS A 45 0.355 17.176 -4.022 1.00 0.00 N ATOM 712 CA LYS A 45 0.072 16.975 -5.452 1.00 0.00 C ATOM 713 C LYS A 45 0.579 15.578 -5.831 1.00 0.00 C ATOM 714 O LYS A 45 1.668 15.169 -5.419 1.00 0.00 O ATOM 715 CB LYS A 45 0.653 18.090 -6.345 1.00 0.00 C ATOM 716 CG LYS A 45 0.098 19.485 -6.003 1.00 0.00 C ATOM 717 CD LYS A 45 0.338 20.502 -7.133 1.00 0.00 C ATOM 718 CE LYS A 45 -0.518 21.765 -6.941 1.00 0.00 C ATOM 719 NZ LYS A 45 0.076 22.749 -5.999 1.00 0.00 N ATOM 0 H LYS A 45 1.327 16.970 -3.792 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.002 17.036 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.738 18.102 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.434 17.864 -7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.971 19.410 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.566 19.845 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.393 20.776 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.103 20.044 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.665 22.244 -7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.503 21.474 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.674 23.358 -5.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.545 22.244 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.773 23.334 -6.502 1.00 0.00 H new ATOM 733 N LEU A 46 -0.244 14.835 -6.566 1.00 0.00 N ATOM 734 CA LEU A 46 -0.095 13.411 -6.875 1.00 0.00 C ATOM 735 C LEU A 46 -0.001 13.214 -8.390 1.00 0.00 C ATOM 736 O LEU A 46 -0.879 13.682 -9.108 1.00 0.00 O ATOM 737 CB LEU A 46 -1.322 12.668 -6.288 1.00 0.00 C ATOM 738 CG LEU A 46 -1.049 11.749 -5.090 1.00 0.00 C ATOM 739 CD1 LEU A 46 -0.144 10.597 -5.509 1.00 0.00 C ATOM 740 CD2 LEU A 46 -0.426 12.491 -3.909 1.00 0.00 C ATOM 0 H LEU A 46 -1.083 15.232 -6.988 1.00 0.00 H new ATOM 0 HA LEU A 46 0.819 13.011 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.061 13.411 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.773 12.072 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.014 11.364 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.043 9.951 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.629 10.022 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.802 10.993 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.254 11.792 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.523 12.931 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.101 13.280 -3.578 1.00 0.00 H new ATOM 752 N ILE A 47 1.044 12.550 -8.889 1.00 0.00 N ATOM 753 CA ILE A 47 1.373 12.464 -10.323 1.00 0.00 C ATOM 754 C ILE A 47 1.693 11.019 -10.734 1.00 0.00 C ATOM 755 O ILE A 47 2.554 10.370 -10.134 1.00 0.00 O ATOM 756 CB ILE A 47 2.522 13.450 -10.651 1.00 0.00 C ATOM 757 CG1 ILE A 47 2.113 14.925 -10.400 1.00 0.00 C ATOM 758 CG2 ILE A 47 2.968 13.378 -12.112 1.00 0.00 C ATOM 759 CD1 ILE A 47 2.735 15.488 -9.131 1.00 0.00 C ATOM 0 H ILE A 47 1.703 12.044 -8.298 1.00 0.00 H new ATOM 0 HA ILE A 47 0.505 12.758 -10.913 1.00 0.00 H new ATOM 0 HB ILE A 47 3.333 13.146 -9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.416 15.534 -11.252 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.027 14.992 -10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.775 14.091 -12.282 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.321 12.371 -12.336 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.127 13.620 -12.762 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.419 16.523 -8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.411 14.897 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.821 15.448 -9.209 1.00 0.00 H new ATOM 771 N TYR A 48 1.015 10.524 -11.776 1.00 0.00 N ATOM 772 CA TYR A 48 1.297 9.240 -12.431 1.00 0.00 C ATOM 773 C TYR A 48 1.348 9.402 -13.953 1.00 0.00 C ATOM 774 O TYR A 48 0.565 10.171 -14.510 1.00 0.00 O ATOM 775 CB TYR A 48 0.240 8.195 -12.044 1.00 0.00 C ATOM 776 CG TYR A 48 0.579 6.740 -12.343 1.00 0.00 C ATOM 777 CD1 TYR A 48 1.826 6.190 -11.972 1.00 0.00 C ATOM 778 CD2 TYR A 48 -0.395 5.909 -12.935 1.00 0.00 C ATOM 779 CE1 TYR A 48 2.095 4.825 -12.192 1.00 0.00 C ATOM 780 CE2 TYR A 48 -0.131 4.542 -13.147 1.00 0.00 C ATOM 781 CZ TYR A 48 1.114 3.994 -12.774 1.00 0.00 C ATOM 782 OH TYR A 48 1.354 2.668 -12.965 1.00 0.00 O ATOM 0 H TYR A 48 0.231 11.020 -12.200 1.00 0.00 H new ATOM 0 HA TYR A 48 2.273 8.895 -12.090 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.045 8.287 -10.976 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.688 8.442 -12.560 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.577 6.819 -11.517 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.349 6.323 -13.227 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.054 4.413 -11.915 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.884 3.912 -13.596 1.00 0.00 H new ATOM 0 HH TYR A 48 0.569 2.249 -13.376 1.00 0.00 H new ATOM 792 N ALA A 49 2.230 8.669 -14.642 1.00 0.00 N ATOM 793 CA ALA A 49 2.338 8.669 -16.109 1.00 0.00 C ATOM 794 C ALA A 49 2.443 10.082 -16.752 1.00 0.00 C ATOM 795 O ALA A 49 1.985 10.312 -17.874 1.00 0.00 O ATOM 796 CB ALA A 49 1.178 7.819 -16.652 1.00 0.00 C ATOM 0 H ALA A 49 2.901 8.048 -14.190 1.00 0.00 H new ATOM 0 HA ALA A 49 3.290 8.224 -16.398 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.223 7.794 -17.741 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.257 6.804 -16.263 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.230 8.255 -16.338 1.00 0.00 H new ATOM 802 N GLY A 50 3.027 11.043 -16.027 1.00 0.00 N ATOM 803 CA GLY A 50 3.167 12.455 -16.398 1.00 0.00 C ATOM 804 C GLY A 50 1.878 13.289 -16.318 1.00 0.00 C ATOM 805 O GLY A 50 1.815 14.366 -16.912 1.00 0.00 O ATOM 0 H GLY A 50 3.437 10.845 -15.115 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.915 12.911 -15.750 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.552 12.509 -17.416 1.00 0.00 H new ATOM 809 N LYS A 51 0.857 12.815 -15.591 1.00 0.00 N ATOM 810 CA LYS A 51 -0.465 13.439 -15.409 1.00 0.00 C ATOM 811 C LYS A 51 -0.813 13.549 -13.920 1.00 0.00 C ATOM 812 O LYS A 51 -0.749 12.560 -13.186 1.00 0.00 O ATOM 813 CB LYS A 51 -1.532 12.607 -16.149 1.00 0.00 C ATOM 814 CG LYS A 51 -1.338 12.592 -17.677 1.00 0.00 C ATOM 815 CD LYS A 51 -2.298 11.628 -18.391 1.00 0.00 C ATOM 816 CE LYS A 51 -3.764 12.067 -18.281 1.00 0.00 C ATOM 817 NZ LYS A 51 -4.665 11.143 -19.019 1.00 0.00 N ATOM 0 H LYS A 51 0.934 11.934 -15.083 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.441 14.446 -15.825 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.508 11.583 -15.776 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.519 13.007 -15.919 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.485 13.599 -18.067 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.310 12.309 -17.905 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.021 11.558 -19.443 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.188 10.630 -17.966 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.057 12.102 -17.232 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.873 13.077 -18.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.648 11.468 -18.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.400 11.129 -20.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.578 10.185 -18.625 1.00 0.00 H new ATOM 831 N ILE A 52 -1.172 14.747 -13.454 1.00 0.00 N ATOM 832 CA ILE A 52 -1.630 14.970 -12.075 1.00 0.00 C ATOM 833 C ILE A 52 -2.994 14.299 -11.850 1.00 0.00 C ATOM 834 O ILE A 52 -3.953 14.537 -12.588 1.00 0.00 O ATOM 835 CB ILE A 52 -1.664 16.470 -11.725 1.00 0.00 C ATOM 836 CG1 ILE A 52 -0.360 17.132 -12.228 1.00 0.00 C ATOM 837 CG2 ILE A 52 -1.876 16.652 -10.211 1.00 0.00 C ATOM 838 CD1 ILE A 52 0.134 18.339 -11.448 1.00 0.00 C ATOM 0 H ILE A 52 -1.154 15.594 -14.022 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.912 14.508 -11.398 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.501 16.962 -12.221 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.428 16.379 -12.225 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.509 17.434 -13.265 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.899 17.715 -9.972 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.821 16.194 -9.918 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.059 16.176 -9.669 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.054 18.712 -11.899 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.624 19.122 -11.470 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.327 18.050 -10.415 1.00 0.00 H new ATOM 850 N LEU A 53 -3.064 13.438 -10.838 1.00 0.00 N ATOM 851 CA LEU A 53 -4.246 12.688 -10.424 1.00 0.00 C ATOM 852 C LEU A 53 -5.320 13.627 -9.839 1.00 0.00 C ATOM 853 O LEU A 53 -5.033 14.439 -8.956 1.00 0.00 O ATOM 854 CB LEU A 53 -3.830 11.625 -9.390 1.00 0.00 C ATOM 855 CG LEU A 53 -2.672 10.688 -9.769 1.00 0.00 C ATOM 856 CD1 LEU A 53 -2.525 9.580 -8.725 1.00 0.00 C ATOM 857 CD2 LEU A 53 -2.930 10.008 -11.102 1.00 0.00 C ATOM 0 H LEU A 53 -2.253 13.234 -10.253 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.681 12.197 -11.295 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.560 12.139 -8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.702 11.010 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.772 11.300 -9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.701 8.923 -9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.320 10.023 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.448 9.003 -8.674 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.094 9.352 -11.343 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.846 9.421 -11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.035 10.763 -11.881 1.00 0.00 H new ATOM 869 N ASN A 54 -6.557 13.524 -10.326 1.00 0.00 N ATOM 870 CA ASN A 54 -7.687 14.342 -9.873 1.00 0.00 C ATOM 871 C ASN A 54 -8.189 13.903 -8.485 1.00 0.00 C ATOM 872 O ASN A 54 -8.598 12.755 -8.322 1.00 0.00 O ATOM 873 CB ASN A 54 -8.826 14.237 -10.896 1.00 0.00 C ATOM 874 CG ASN A 54 -9.958 15.203 -10.575 1.00 0.00 C ATOM 875 OD1 ASN A 54 -9.756 16.394 -10.385 1.00 0.00 O ATOM 876 ND2 ASN A 54 -11.179 14.731 -10.479 1.00 0.00 N ATOM 0 H ASN A 54 -6.808 12.860 -11.058 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.349 15.375 -9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -8.440 14.446 -11.894 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -9.210 13.217 -10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.951 15.356 -10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.356 13.739 -10.636 1.00 0.00 H new ATOM 883 N ASP A 55 -8.216 14.817 -7.511 1.00 0.00 N ATOM 884 CA ASP A 55 -8.610 14.576 -6.111 1.00 0.00 C ATOM 885 C ASP A 55 -9.909 13.764 -5.948 1.00 0.00 C ATOM 886 O ASP A 55 -9.950 12.812 -5.167 1.00 0.00 O ATOM 887 CB ASP A 55 -8.743 15.922 -5.382 1.00 0.00 C ATOM 888 CG ASP A 55 -7.378 16.570 -5.127 1.00 0.00 C ATOM 889 OD1 ASP A 55 -6.849 17.268 -6.022 1.00 0.00 O ATOM 890 OD2 ASP A 55 -6.812 16.366 -4.028 1.00 0.00 O ATOM 0 H ASP A 55 -7.953 15.788 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.821 13.966 -5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.360 16.597 -5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.257 15.772 -4.432 1.00 0.00 H new ATOM 895 N ASP A 56 -10.965 14.130 -6.681 1.00 0.00 N ATOM 896 CA ASP A 56 -12.292 13.500 -6.613 1.00 0.00 C ATOM 897 C ASP A 56 -12.419 12.192 -7.429 1.00 0.00 C ATOM 898 O ASP A 56 -13.357 11.420 -7.217 1.00 0.00 O ATOM 899 CB ASP A 56 -13.327 14.535 -7.084 1.00 0.00 C ATOM 900 CG ASP A 56 -14.780 14.089 -6.834 1.00 0.00 C ATOM 901 OD1 ASP A 56 -15.173 13.940 -5.651 1.00 0.00 O ATOM 902 OD2 ASP A 56 -15.547 13.937 -7.815 1.00 0.00 O ATOM 0 H ASP A 56 -10.922 14.893 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.465 13.199 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.149 15.479 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.188 14.721 -8.149 1.00 0.00 H new ATOM 907 N THR A 57 -11.489 11.913 -8.350 1.00 0.00 N ATOM 908 CA THR A 57 -11.487 10.692 -9.177 1.00 0.00 C ATOM 909 C THR A 57 -10.917 9.502 -8.390 1.00 0.00 C ATOM 910 O THR A 57 -10.008 9.652 -7.567 1.00 0.00 O ATOM 911 CB THR A 57 -10.733 10.935 -10.500 1.00 0.00 C ATOM 912 OG1 THR A 57 -11.406 11.952 -11.217 1.00 0.00 O ATOM 913 CG2 THR A 57 -10.720 9.737 -11.438 1.00 0.00 C ATOM 0 H THR A 57 -10.705 12.535 -8.547 1.00 0.00 H new ATOM 0 HA THR A 57 -12.516 10.439 -9.435 1.00 0.00 H new ATOM 0 HB THR A 57 -9.709 11.177 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.292 12.097 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.170 9.991 -12.344 1.00 0.00 H new ATOM 0 HG22 THR A 57 -10.237 8.894 -10.945 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.744 9.467 -11.698 1.00 0.00 H new ATOM 921 N ALA A 58 -11.469 8.303 -8.608 1.00 0.00 N ATOM 922 CA ALA A 58 -11.050 7.090 -7.905 1.00 0.00 C ATOM 923 C ALA A 58 -9.727 6.498 -8.429 1.00 0.00 C ATOM 924 O ALA A 58 -9.393 6.634 -9.606 1.00 0.00 O ATOM 925 CB ALA A 58 -12.190 6.075 -7.930 1.00 0.00 C ATOM 0 H ALA A 58 -12.221 8.149 -9.280 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.834 7.362 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.882 5.169 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.065 6.499 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.438 5.831 -8.963 1.00 0.00 H new ATOM 931 N LEU A 59 -8.981 5.794 -7.569 1.00 0.00 N ATOM 932 CA LEU A 59 -7.662 5.232 -7.910 1.00 0.00 C ATOM 933 C LEU A 59 -7.727 4.172 -9.026 1.00 0.00 C ATOM 934 O LEU A 59 -6.837 4.118 -9.880 1.00 0.00 O ATOM 935 CB LEU A 59 -7.001 4.669 -6.638 1.00 0.00 C ATOM 936 CG LEU A 59 -6.642 5.747 -5.599 1.00 0.00 C ATOM 937 CD1 LEU A 59 -6.228 5.097 -4.284 1.00 0.00 C ATOM 938 CD2 LEU A 59 -5.464 6.602 -6.057 1.00 0.00 C ATOM 0 H LEU A 59 -9.274 5.596 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.051 6.041 -8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.674 3.945 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.096 4.130 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.530 6.367 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.977 5.871 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.051 4.494 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.359 4.460 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.241 7.351 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.591 5.967 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.718 7.099 -6.993 1.00 0.00 H new ATOM 950 N LYS A 60 -8.814 3.389 -9.079 1.00 0.00 N ATOM 951 CA LYS A 60 -9.114 2.426 -10.157 1.00 0.00 C ATOM 952 C LYS A 60 -9.112 3.032 -11.572 1.00 0.00 C ATOM 953 O LYS A 60 -8.785 2.333 -12.530 1.00 0.00 O ATOM 954 CB LYS A 60 -10.435 1.685 -9.864 1.00 0.00 C ATOM 955 CG LYS A 60 -11.678 2.597 -9.802 1.00 0.00 C ATOM 956 CD LYS A 60 -13.003 1.819 -9.832 1.00 0.00 C ATOM 957 CE LYS A 60 -13.225 0.981 -8.567 1.00 0.00 C ATOM 958 NZ LYS A 60 -14.515 0.245 -8.616 1.00 0.00 N ATOM 0 H LYS A 60 -9.531 3.406 -8.354 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.291 1.712 -10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.592 0.930 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.339 1.158 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.636 3.195 -8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.653 3.292 -10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.829 2.521 -9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.016 1.165 -10.704 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.405 0.272 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.210 1.631 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.704 -0.187 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.283 0.905 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.463 -0.499 -9.340 1.00 0.00 H new ATOM 972 N GLU A 61 -9.406 4.326 -11.716 1.00 0.00 N ATOM 973 CA GLU A 61 -9.439 5.044 -12.998 1.00 0.00 C ATOM 974 C GLU A 61 -8.038 5.293 -13.592 1.00 0.00 C ATOM 975 O GLU A 61 -7.909 5.557 -14.790 1.00 0.00 O ATOM 976 CB GLU A 61 -10.139 6.397 -12.809 1.00 0.00 C ATOM 977 CG GLU A 61 -11.566 6.311 -12.249 1.00 0.00 C ATOM 978 CD GLU A 61 -12.547 5.692 -13.265 1.00 0.00 C ATOM 979 OE1 GLU A 61 -13.089 6.435 -14.120 1.00 0.00 O ATOM 980 OE2 GLU A 61 -12.787 4.462 -13.217 1.00 0.00 O ATOM 0 H GLU A 61 -9.635 4.924 -10.922 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.983 4.409 -13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.537 7.011 -12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.171 6.911 -13.770 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.563 5.713 -11.337 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.909 7.309 -11.975 1.00 0.00 H new ATOM 987 N TYR A 62 -6.989 5.178 -12.770 1.00 0.00 N ATOM 988 CA TYR A 62 -5.582 5.402 -13.128 1.00 0.00 C ATOM 989 C TYR A 62 -4.771 4.098 -13.191 1.00 0.00 C ATOM 990 O TYR A 62 -3.601 4.110 -13.580 1.00 0.00 O ATOM 991 CB TYR A 62 -4.979 6.401 -12.131 1.00 0.00 C ATOM 992 CG TYR A 62 -5.603 7.780 -12.216 1.00 0.00 C ATOM 993 CD1 TYR A 62 -5.313 8.599 -13.325 1.00 0.00 C ATOM 994 CD2 TYR A 62 -6.460 8.246 -11.198 1.00 0.00 C ATOM 995 CE1 TYR A 62 -5.873 9.886 -13.420 1.00 0.00 C ATOM 996 CE2 TYR A 62 -7.016 9.538 -11.285 1.00 0.00 C ATOM 997 CZ TYR A 62 -6.730 10.357 -12.400 1.00 0.00 C ATOM 998 OH TYR A 62 -7.278 11.599 -12.486 1.00 0.00 O ATOM 0 H TYR A 62 -7.102 4.914 -11.791 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.538 5.816 -14.135 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -5.103 6.015 -11.119 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.907 6.483 -12.312 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.659 8.238 -14.105 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.690 7.614 -10.353 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -5.648 10.513 -14.271 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.661 9.902 -10.499 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.146 11.606 -12.031 1.00 0.00 H new ATOM 1008 N LYS A 63 -5.406 2.967 -12.846 1.00 0.00 N ATOM 1009 CA LYS A 63 -4.893 1.587 -12.903 1.00 0.00 C ATOM 1010 C LYS A 63 -3.518 1.391 -12.230 1.00 0.00 C ATOM 1011 O LYS A 63 -2.719 0.555 -12.658 1.00 0.00 O ATOM 1012 CB LYS A 63 -4.947 1.067 -14.358 1.00 0.00 C ATOM 1013 CG LYS A 63 -6.348 1.181 -14.992 1.00 0.00 C ATOM 1014 CD LYS A 63 -6.415 0.599 -16.412 1.00 0.00 C ATOM 1015 CE LYS A 63 -6.306 -0.933 -16.413 1.00 0.00 C ATOM 1016 NZ LYS A 63 -6.460 -1.489 -17.783 1.00 0.00 N ATOM 0 H LYS A 63 -6.363 2.994 -12.494 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.555 0.970 -12.295 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.234 1.627 -14.964 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.631 0.024 -14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.070 0.664 -14.359 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.643 2.230 -15.021 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.353 0.896 -16.881 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.610 1.020 -17.014 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.340 -1.230 -16.005 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.071 -1.354 -15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.381 -2.525 -17.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.392 -1.225 -18.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.715 -1.106 -18.399 1.00 0.00 H new ATOM 1030 N ILE A 64 -3.245 2.166 -11.174 1.00 0.00 N ATOM 1031 CA ILE A 64 -2.024 2.104 -10.352 1.00 0.00 C ATOM 1032 C ILE A 64 -1.873 0.691 -9.759 1.00 0.00 C ATOM 1033 O ILE A 64 -2.864 0.055 -9.391 1.00 0.00 O ATOM 1034 CB ILE A 64 -2.035 3.192 -9.245 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -2.426 4.596 -9.773 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -0.656 3.286 -8.558 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -2.737 5.586 -8.646 1.00 0.00 C ATOM 0 H ILE A 64 -3.894 2.884 -10.853 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.160 2.308 -10.985 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.796 2.880 -8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.613 4.990 -10.383 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.297 4.506 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.686 4.055 -7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.409 2.326 -8.105 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.102 3.544 -9.297 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.005 6.552 -9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.569 5.210 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.859 5.701 -8.010 1.00 0.00 H new ATOM 1049 N ASP A 65 -0.638 0.200 -9.657 1.00 0.00 N ATOM 1050 CA ASP A 65 -0.298 -1.126 -9.121 1.00 0.00 C ATOM 1051 C ASP A 65 0.682 -1.021 -7.938 1.00 0.00 C ATOM 1052 O ASP A 65 1.387 -0.023 -7.779 1.00 0.00 O ATOM 1053 CB ASP A 65 0.271 -1.989 -10.258 1.00 0.00 C ATOM 1054 CG ASP A 65 0.435 -3.459 -9.848 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -0.542 -4.236 -9.976 1.00 0.00 O ATOM 1056 OD2 ASP A 65 1.529 -3.828 -9.363 1.00 0.00 O ATOM 0 H ASP A 65 0.183 0.728 -9.954 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.198 -1.600 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.389 -1.927 -11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.238 -1.590 -10.565 1.00 0.00 H new ATOM 1061 N GLU A 66 0.735 -2.058 -7.101 1.00 0.00 N ATOM 1062 CA GLU A 66 1.574 -2.104 -5.897 1.00 0.00 C ATOM 1063 C GLU A 66 3.081 -2.251 -6.200 1.00 0.00 C ATOM 1064 O GLU A 66 3.916 -1.805 -5.406 1.00 0.00 O ATOM 1065 CB GLU A 66 1.134 -3.273 -4.997 1.00 0.00 C ATOM 1066 CG GLU A 66 -0.346 -3.189 -4.600 1.00 0.00 C ATOM 1067 CD GLU A 66 -0.753 -4.276 -3.588 1.00 0.00 C ATOM 1068 OE1 GLU A 66 -0.485 -5.480 -3.822 1.00 0.00 O ATOM 1069 OE2 GLU A 66 -1.383 -3.921 -2.564 1.00 0.00 O ATOM 0 H GLU A 66 0.187 -2.907 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 66 1.436 -1.146 -5.395 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.314 -4.214 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.748 -3.284 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.548 -2.207 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.963 -3.281 -5.494 1.00 0.00 H new ATOM 1076 N LYS A 67 3.441 -2.879 -7.332 1.00 0.00 N ATOM 1077 CA LYS A 67 4.832 -3.085 -7.788 1.00 0.00 C ATOM 1078 C LYS A 67 5.413 -1.850 -8.487 1.00 0.00 C ATOM 1079 O LYS A 67 6.601 -1.555 -8.344 1.00 0.00 O ATOM 1080 CB LYS A 67 4.897 -4.287 -8.746 1.00 0.00 C ATOM 1081 CG LYS A 67 4.426 -5.592 -8.083 1.00 0.00 C ATOM 1082 CD LYS A 67 4.520 -6.775 -9.054 1.00 0.00 C ATOM 1083 CE LYS A 67 3.941 -8.025 -8.383 1.00 0.00 C ATOM 1084 NZ LYS A 67 4.035 -9.216 -9.266 1.00 0.00 N ATOM 0 H LYS A 67 2.754 -3.270 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 67 5.433 -3.274 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.280 -4.084 -9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.921 -4.411 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.033 -5.794 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.397 -5.479 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.973 -6.553 -9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.559 -6.947 -9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.475 -8.219 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.898 -7.847 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.634 -10.042 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.505 -9.040 -10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.033 -9.400 -9.495 1.00 0.00 H new ATOM 1098 N ASN A 68 4.577 -1.135 -9.242 1.00 0.00 N ATOM 1099 CA ASN A 68 4.869 0.179 -9.822 1.00 0.00 C ATOM 1100 C ASN A 68 4.973 1.267 -8.728 1.00 0.00 C ATOM 1101 O ASN A 68 4.654 1.009 -7.565 1.00 0.00 O ATOM 1102 CB ASN A 68 3.760 0.502 -10.842 1.00 0.00 C ATOM 1103 CG ASN A 68 3.877 -0.349 -12.098 1.00 0.00 C ATOM 1104 OD1 ASN A 68 3.362 -1.454 -12.191 1.00 0.00 O ATOM 1105 ND2 ASN A 68 4.565 0.137 -13.102 1.00 0.00 N ATOM 0 H ASN A 68 3.641 -1.467 -9.476 1.00 0.00 H new ATOM 0 HA ASN A 68 5.837 0.160 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.785 0.338 -10.382 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.812 1.557 -11.112 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.670 -0.406 -13.959 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.995 1.059 -13.027 1.00 0.00 H new ATOM 1112 N PHE A 69 5.375 2.493 -9.091 1.00 0.00 N ATOM 1113 CA PHE A 69 5.350 3.652 -8.184 1.00 0.00 C ATOM 1114 C PHE A 69 4.681 4.888 -8.798 1.00 0.00 C ATOM 1115 O PHE A 69 4.734 5.128 -10.006 1.00 0.00 O ATOM 1116 CB PHE A 69 6.754 3.967 -7.638 1.00 0.00 C ATOM 1117 CG PHE A 69 7.783 4.490 -8.629 1.00 0.00 C ATOM 1118 CD1 PHE A 69 7.874 5.871 -8.896 1.00 0.00 C ATOM 1119 CD2 PHE A 69 8.691 3.605 -9.241 1.00 0.00 C ATOM 1120 CE1 PHE A 69 8.854 6.360 -9.780 1.00 0.00 C ATOM 1121 CE2 PHE A 69 9.679 4.095 -10.115 1.00 0.00 C ATOM 1122 CZ PHE A 69 9.758 5.472 -10.388 1.00 0.00 C ATOM 0 H PHE A 69 5.727 2.711 -10.023 1.00 0.00 H new ATOM 0 HA PHE A 69 4.721 3.367 -7.340 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.649 4.702 -6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.152 3.059 -7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.189 6.557 -8.420 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.629 2.546 -9.039 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.911 7.418 -9.991 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.377 3.413 -10.577 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.512 5.847 -11.064 1.00 0.00 H new ATOM 1132 N VAL A 70 4.079 5.690 -7.922 1.00 0.00 N ATOM 1133 CA VAL A 70 3.527 7.029 -8.165 1.00 0.00 C ATOM 1134 C VAL A 70 4.516 8.081 -7.644 1.00 0.00 C ATOM 1135 O VAL A 70 5.384 7.771 -6.823 1.00 0.00 O ATOM 1136 CB VAL A 70 2.126 7.118 -7.499 1.00 0.00 C ATOM 1137 CG1 VAL A 70 1.976 8.159 -6.390 1.00 0.00 C ATOM 1138 CG2 VAL A 70 1.045 7.411 -8.538 1.00 0.00 C ATOM 0 H VAL A 70 3.953 5.403 -6.951 1.00 0.00 H new ATOM 0 HA VAL A 70 3.392 7.222 -9.229 1.00 0.00 H new ATOM 0 HB VAL A 70 2.011 6.137 -7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.959 8.131 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.679 7.939 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.183 9.151 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.074 7.468 -8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.260 8.360 -9.029 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.029 6.614 -9.281 1.00 0.00 H new ATOM 1148 N VAL A 71 4.367 9.339 -8.060 1.00 0.00 N ATOM 1149 CA VAL A 71 5.138 10.468 -7.507 1.00 0.00 C ATOM 1150 C VAL A 71 4.246 11.359 -6.645 1.00 0.00 C ATOM 1151 O VAL A 71 3.146 11.740 -7.049 1.00 0.00 O ATOM 1152 CB VAL A 71 5.851 11.275 -8.603 1.00 0.00 C ATOM 1153 CG1 VAL A 71 6.694 12.410 -8.005 1.00 0.00 C ATOM 1154 CG2 VAL A 71 6.812 10.380 -9.391 1.00 0.00 C ATOM 0 H VAL A 71 3.709 9.611 -8.791 1.00 0.00 H new ATOM 0 HA VAL A 71 5.919 10.051 -6.871 1.00 0.00 H new ATOM 0 HB VAL A 71 5.071 11.680 -9.247 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.185 12.961 -8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.049 13.085 -7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.448 11.991 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.308 10.969 -10.163 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.560 9.965 -8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.254 9.568 -9.857 1.00 0.00 H new ATOM 1164 N VAL A 72 4.744 11.707 -5.458 1.00 0.00 N ATOM 1165 CA VAL A 72 4.133 12.657 -4.517 1.00 0.00 C ATOM 1166 C VAL A 72 5.039 13.877 -4.344 1.00 0.00 C ATOM 1167 O VAL A 72 6.264 13.757 -4.251 1.00 0.00 O ATOM 1168 CB VAL A 72 3.804 11.981 -3.168 1.00 0.00 C ATOM 1169 CG1 VAL A 72 5.034 11.370 -2.480 1.00 0.00 C ATOM 1170 CG2 VAL A 72 3.119 12.949 -2.190 1.00 0.00 C ATOM 0 H VAL A 72 5.621 11.321 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 72 3.184 12.999 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 72 3.118 11.173 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.734 10.911 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.475 10.612 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.768 12.152 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.906 12.431 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.778 13.795 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.187 13.308 -2.626 1.00 0.00 H new ATOM 1180 N MET A 73 4.435 15.060 -4.274 1.00 0.00 N ATOM 1181 CA MET A 73 5.101 16.308 -3.902 1.00 0.00 C ATOM 1182 C MET A 73 4.232 17.153 -2.974 1.00 0.00 C ATOM 1183 O MET A 73 3.008 17.024 -2.976 1.00 0.00 O ATOM 1184 CB MET A 73 5.529 17.073 -5.158 1.00 0.00 C ATOM 1185 CG MET A 73 4.408 17.486 -6.109 1.00 0.00 C ATOM 1186 SD MET A 73 5.013 18.249 -7.640 1.00 0.00 S ATOM 1187 CE MET A 73 5.483 19.888 -7.025 1.00 0.00 C ATOM 0 H MET A 73 3.443 15.182 -4.479 1.00 0.00 H new ATOM 0 HA MET A 73 6.002 16.066 -3.338 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.063 17.971 -4.847 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.237 16.456 -5.711 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.811 16.609 -6.359 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.747 18.186 -5.598 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.926 20.467 -7.835 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.598 20.404 -6.651 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.208 19.780 -6.218 1.00 0.00 H new ATOM 1197 N VAL A 74 4.869 18.036 -2.203 1.00 0.00 N ATOM 1198 CA VAL A 74 4.213 18.950 -1.262 1.00 0.00 C ATOM 1199 C VAL A 74 4.614 20.394 -1.573 1.00 0.00 C ATOM 1200 O VAL A 74 5.743 20.814 -1.316 1.00 0.00 O ATOM 1201 CB VAL A 74 4.415 18.518 0.206 1.00 0.00 C ATOM 1202 CG1 VAL A 74 5.872 18.295 0.634 1.00 0.00 C ATOM 1203 CG2 VAL A 74 3.754 19.501 1.181 1.00 0.00 C ATOM 0 H VAL A 74 5.884 18.139 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 74 3.133 18.898 -1.399 1.00 0.00 H new ATOM 0 HB VAL A 74 3.928 17.544 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.902 17.995 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.316 17.512 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.435 19.220 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.917 19.164 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.191 20.491 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.684 19.547 0.981 1.00 0.00 H new ATOM 1872 N GLU B 283 7.170 26.399 -9.384 1.00 0.00 N ATOM 1873 CA GLU B 283 6.295 25.249 -9.084 1.00 0.00 C ATOM 1874 C GLU B 283 5.979 24.397 -10.328 1.00 0.00 C ATOM 1875 O GLU B 283 5.923 23.171 -10.245 1.00 0.00 O ATOM 1876 CB GLU B 283 5.010 25.745 -8.396 1.00 0.00 C ATOM 1877 CG GLU B 283 4.162 24.593 -7.836 1.00 0.00 C ATOM 1878 CD GLU B 283 2.941 25.081 -7.029 1.00 0.00 C ATOM 1879 OE1 GLU B 283 3.085 25.971 -6.156 1.00 0.00 O ATOM 1880 OE2 GLU B 283 1.829 24.533 -7.229 1.00 0.00 O ATOM 0 HA GLU B 283 6.833 24.588 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU B 283 5.274 26.425 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU B 283 4.416 26.316 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU B 283 3.819 23.967 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU B 283 4.786 23.967 -7.198 1.00 0.00 H new ATOM 1887 N GLU B 284 5.840 25.027 -11.499 1.00 0.00 N ATOM 1888 CA GLU B 284 5.642 24.342 -12.785 1.00 0.00 C ATOM 1889 C GLU B 284 6.827 23.430 -13.156 1.00 0.00 C ATOM 1890 O GLU B 284 6.625 22.333 -13.678 1.00 0.00 O ATOM 1891 CB GLU B 284 5.404 25.374 -13.899 1.00 0.00 C ATOM 1892 CG GLU B 284 4.097 26.156 -13.704 1.00 0.00 C ATOM 1893 CD GLU B 284 3.870 27.153 -14.857 1.00 0.00 C ATOM 1894 OE1 GLU B 284 3.280 26.766 -15.896 1.00 0.00 O ATOM 1895 OE2 GLU B 284 4.269 28.337 -14.732 1.00 0.00 O ATOM 0 H GLU B 284 5.862 26.043 -11.584 1.00 0.00 H new ATOM 0 HA GLU B 284 4.765 23.704 -12.678 1.00 0.00 H new ATOM 0 HB2 GLU B 284 6.241 26.072 -13.929 1.00 0.00 H new ATOM 0 HB3 GLU B 284 5.379 24.865 -14.863 1.00 0.00 H new ATOM 0 HG2 GLU B 284 3.259 25.461 -13.649 1.00 0.00 H new ATOM 0 HG3 GLU B 284 4.129 26.693 -12.756 1.00 0.00 H new ATOM 1902 N GLU B 285 8.061 23.842 -12.853 1.00 0.00 N ATOM 1903 CA GLU B 285 9.263 23.017 -13.035 1.00 0.00 C ATOM 1904 C GLU B 285 9.349 21.881 -12.001 1.00 0.00 C ATOM 1905 O GLU B 285 9.725 20.764 -12.364 1.00 0.00 O ATOM 1906 CB GLU B 285 10.523 23.892 -12.966 1.00 0.00 C ATOM 1907 CG GLU B 285 10.666 24.895 -14.121 1.00 0.00 C ATOM 1908 CD GLU B 285 11.039 24.212 -15.452 1.00 0.00 C ATOM 1909 OE1 GLU B 285 10.130 23.748 -16.183 1.00 0.00 O ATOM 1910 OE2 GLU B 285 12.246 24.154 -15.792 1.00 0.00 O ATOM 0 H GLU B 285 8.258 24.767 -12.470 1.00 0.00 H new ATOM 0 HA GLU B 285 9.195 22.556 -14.021 1.00 0.00 H new ATOM 0 HB2 GLU B 285 10.518 24.440 -12.024 1.00 0.00 H new ATOM 0 HB3 GLU B 285 11.400 23.244 -12.953 1.00 0.00 H new ATOM 0 HG2 GLU B 285 9.729 25.438 -14.245 1.00 0.00 H new ATOM 0 HG3 GLU B 285 11.429 25.630 -13.867 1.00 0.00 H new ATOM 1917 N GLN B 286 8.949 22.117 -10.740 1.00 0.00 N ATOM 1918 CA GLN B 286 8.873 21.060 -9.715 1.00 0.00 C ATOM 1919 C GLN B 286 7.892 19.956 -10.154 1.00 0.00 C ATOM 1920 O GLN B 286 8.195 18.763 -10.081 1.00 0.00 O ATOM 1921 CB GLN B 286 8.422 21.609 -8.347 1.00 0.00 C ATOM 1922 CG GLN B 286 9.268 22.718 -7.710 1.00 0.00 C ATOM 1923 CD GLN B 286 8.648 23.264 -6.423 1.00 0.00 C ATOM 1924 OE1 GLN B 286 8.365 24.446 -6.287 1.00 0.00 O ATOM 1925 NE2 GLN B 286 8.404 22.440 -5.425 1.00 0.00 N ATOM 0 H GLN B 286 8.671 23.039 -10.403 1.00 0.00 H new ATOM 0 HA GLN B 286 9.878 20.652 -9.609 1.00 0.00 H new ATOM 0 HB2 GLN B 286 7.404 21.984 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN B 286 8.382 20.774 -7.647 1.00 0.00 H new ATOM 0 HG2 GLN B 286 10.264 22.331 -7.494 1.00 0.00 H new ATOM 0 HG3 GLN B 286 9.390 23.532 -8.424 1.00 0.00 H new ATOM 0 HE21 GLN B 286 8.631 21.450 -5.514 1.00 0.00 H new ATOM 0 HE22 GLN B 286 7.988 22.792 -4.563 1.00 0.00 H new ATOM 1934 N ILE B 287 6.724 20.370 -10.655 1.00 0.00 N ATOM 1935 CA ILE B 287 5.707 19.510 -11.271 1.00 0.00 C ATOM 1936 C ILE B 287 6.281 18.744 -12.473 1.00 0.00 C ATOM 1937 O ILE B 287 6.176 17.522 -12.512 1.00 0.00 O ATOM 1938 CB ILE B 287 4.452 20.347 -11.618 1.00 0.00 C ATOM 1939 CG1 ILE B 287 3.681 20.676 -10.317 1.00 0.00 C ATOM 1940 CG2 ILE B 287 3.537 19.614 -12.613 1.00 0.00 C ATOM 1941 CD1 ILE B 287 2.613 21.765 -10.472 1.00 0.00 C ATOM 0 H ILE B 287 6.450 21.352 -10.642 1.00 0.00 H new ATOM 0 HA ILE B 287 5.396 18.746 -10.558 1.00 0.00 H new ATOM 0 HB ILE B 287 4.776 21.271 -12.097 1.00 0.00 H new ATOM 0 HG12 ILE B 287 3.205 19.766 -9.952 1.00 0.00 H new ATOM 0 HG13 ILE B 287 4.395 20.990 -9.556 1.00 0.00 H new ATOM 0 HG21 ILE B 287 2.667 20.233 -12.832 1.00 0.00 H new ATOM 0 HG22 ILE B 287 4.085 19.419 -13.535 1.00 0.00 H new ATOM 0 HG23 ILE B 287 3.210 18.669 -12.178 1.00 0.00 H new ATOM 0 HD11 ILE B 287 2.122 21.932 -9.513 1.00 0.00 H new ATOM 0 HD12 ILE B 287 3.083 22.690 -10.806 1.00 0.00 H new ATOM 0 HD13 ILE B 287 1.874 21.448 -11.208 1.00 0.00 H new ATOM 1953 N ALA B 288 6.910 19.412 -13.444 1.00 0.00 N ATOM 1954 CA ALA B 288 7.476 18.741 -14.619 1.00 0.00 C ATOM 1955 C ALA B 288 8.571 17.706 -14.269 1.00 0.00 C ATOM 1956 O ALA B 288 8.656 16.654 -14.909 1.00 0.00 O ATOM 1957 CB ALA B 288 7.994 19.804 -15.590 1.00 0.00 C ATOM 0 H ALA B 288 7.041 20.424 -13.439 1.00 0.00 H new ATOM 0 HA ALA B 288 6.683 18.161 -15.091 1.00 0.00 H new ATOM 0 HB1 ALA B 288 8.418 19.318 -16.469 1.00 0.00 H new ATOM 0 HB2 ALA B 288 7.171 20.451 -15.894 1.00 0.00 H new ATOM 0 HB3 ALA B 288 8.763 20.401 -15.099 1.00 0.00 H new ATOM 1963 N TYR B 289 9.367 17.953 -13.222 1.00 0.00 N ATOM 1964 CA TYR B 289 10.303 16.975 -12.655 1.00 0.00 C ATOM 1965 C TYR B 289 9.568 15.723 -12.137 1.00 0.00 C ATOM 1966 O TYR B 289 9.925 14.600 -12.506 1.00 0.00 O ATOM 1967 CB TYR B 289 11.149 17.653 -11.567 1.00 0.00 C ATOM 1968 CG TYR B 289 12.325 16.830 -11.079 1.00 0.00 C ATOM 1969 CD1 TYR B 289 13.529 16.824 -11.812 1.00 0.00 C ATOM 1970 CD2 TYR B 289 12.228 16.092 -9.883 1.00 0.00 C ATOM 1971 CE1 TYR B 289 14.638 16.090 -11.346 1.00 0.00 C ATOM 1972 CE2 TYR B 289 13.333 15.355 -9.417 1.00 0.00 C ATOM 1973 CZ TYR B 289 14.543 15.355 -10.143 1.00 0.00 C ATOM 1974 OH TYR B 289 15.615 14.656 -9.676 1.00 0.00 O ATOM 0 H TYR B 289 9.379 18.851 -12.738 1.00 0.00 H new ATOM 0 HA TYR B 289 10.974 16.623 -13.438 1.00 0.00 H new ATOM 0 HB2 TYR B 289 11.521 18.602 -11.953 1.00 0.00 H new ATOM 0 HB3 TYR B 289 10.507 17.885 -10.717 1.00 0.00 H new ATOM 0 HD1 TYR B 289 13.602 17.383 -12.733 1.00 0.00 H new ATOM 0 HD2 TYR B 289 11.305 16.092 -9.323 1.00 0.00 H new ATOM 0 HE1 TYR B 289 15.560 16.089 -11.908 1.00 0.00 H new ATOM 0 HE2 TYR B 289 13.255 14.788 -8.501 1.00 0.00 H new ATOM 0 HH TYR B 289 15.765 14.878 -8.733 1.00 0.00 H new ATOM 1984 N ALA B 290 8.494 15.895 -11.353 1.00 0.00 N ATOM 1985 CA ALA B 290 7.611 14.800 -10.943 1.00 0.00 C ATOM 1986 C ALA B 290 6.995 14.031 -12.127 1.00 0.00 C ATOM 1987 O ALA B 290 6.987 12.799 -12.113 1.00 0.00 O ATOM 1988 CB ALA B 290 6.515 15.341 -10.018 1.00 0.00 C ATOM 0 H ALA B 290 8.214 16.804 -10.985 1.00 0.00 H new ATOM 0 HA ALA B 290 8.227 14.077 -10.408 1.00 0.00 H new ATOM 0 HB1 ALA B 290 5.859 14.525 -9.714 1.00 0.00 H new ATOM 0 HB2 ALA B 290 6.972 15.787 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA B 290 5.933 16.096 -10.546 1.00 0.00 H new ATOM 1994 N MET B 291 6.514 14.728 -13.164 1.00 0.00 N ATOM 1995 CA MET B 291 5.971 14.125 -14.385 1.00 0.00 C ATOM 1996 C MET B 291 6.978 13.175 -15.047 1.00 0.00 C ATOM 1997 O MET B 291 6.654 12.007 -15.269 1.00 0.00 O ATOM 1998 CB MET B 291 5.494 15.210 -15.368 1.00 0.00 C ATOM 1999 CG MET B 291 4.283 15.991 -14.844 1.00 0.00 C ATOM 2000 SD MET B 291 3.673 17.262 -15.984 1.00 0.00 S ATOM 2001 CE MET B 291 2.040 17.560 -15.252 1.00 0.00 C ATOM 0 H MET B 291 6.492 15.748 -13.177 1.00 0.00 H new ATOM 0 HA MET B 291 5.106 13.526 -14.099 1.00 0.00 H new ATOM 0 HB2 MET B 291 6.312 15.903 -15.562 1.00 0.00 H new ATOM 0 HB3 MET B 291 5.237 14.745 -16.320 1.00 0.00 H new ATOM 0 HG2 MET B 291 3.476 15.290 -14.633 1.00 0.00 H new ATOM 0 HG3 MET B 291 4.550 16.464 -13.899 1.00 0.00 H new ATOM 0 HE1 MET B 291 1.619 18.478 -15.663 1.00 0.00 H new ATOM 0 HE2 MET B 291 1.380 16.724 -15.482 1.00 0.00 H new ATOM 0 HE3 MET B 291 2.138 17.658 -14.171 1.00 0.00 H new ATOM 2011 N GLN B 292 8.209 13.631 -15.300 1.00 0.00 N ATOM 2012 CA GLN B 292 9.279 12.799 -15.861 1.00 0.00 C ATOM 2013 C GLN B 292 9.598 11.569 -14.996 1.00 0.00 C ATOM 2014 O GLN B 292 9.765 10.476 -15.542 1.00 0.00 O ATOM 2015 CB GLN B 292 10.533 13.665 -16.087 1.00 0.00 C ATOM 2016 CG GLN B 292 11.754 12.886 -16.613 1.00 0.00 C ATOM 2017 CD GLN B 292 11.536 12.274 -17.998 1.00 0.00 C ATOM 2018 OE1 GLN B 292 11.844 12.864 -19.026 1.00 0.00 O ATOM 2019 NE2 GLN B 292 11.005 11.072 -18.088 1.00 0.00 N ATOM 0 H GLN B 292 8.493 14.594 -15.120 1.00 0.00 H new ATOM 0 HA GLN B 292 8.930 12.406 -16.816 1.00 0.00 H new ATOM 0 HB2 GLN B 292 10.290 14.458 -16.794 1.00 0.00 H new ATOM 0 HB3 GLN B 292 10.802 14.147 -15.147 1.00 0.00 H new ATOM 0 HG2 GLN B 292 12.613 13.555 -16.651 1.00 0.00 H new ATOM 0 HG3 GLN B 292 12.000 12.092 -15.908 1.00 0.00 H new ATOM 0 HE21 GLN B 292 10.742 10.566 -17.242 1.00 0.00 H new ATOM 0 HE22 GLN B 292 10.856 10.647 -19.003 1.00 0.00 H new ATOM 2028 N MET B 293 9.684 11.710 -13.669 1.00 0.00 N ATOM 2029 CA MET B 293 9.913 10.560 -12.784 1.00 0.00 C ATOM 2030 C MET B 293 8.754 9.551 -12.841 1.00 0.00 C ATOM 2031 O MET B 293 8.980 8.344 -12.947 1.00 0.00 O ATOM 2032 CB MET B 293 10.137 11.017 -11.337 1.00 0.00 C ATOM 2033 CG MET B 293 11.467 11.752 -11.144 1.00 0.00 C ATOM 2034 SD MET B 293 11.945 11.985 -9.409 1.00 0.00 S ATOM 2035 CE MET B 293 10.512 12.893 -8.770 1.00 0.00 C ATOM 0 H MET B 293 9.599 12.604 -13.185 1.00 0.00 H new ATOM 0 HA MET B 293 10.813 10.060 -13.142 1.00 0.00 H new ATOM 0 HB2 MET B 293 9.319 11.672 -11.037 1.00 0.00 H new ATOM 0 HB3 MET B 293 10.108 10.149 -10.678 1.00 0.00 H new ATOM 0 HG2 MET B 293 12.254 11.196 -11.654 1.00 0.00 H new ATOM 0 HG3 MET B 293 11.403 12.728 -11.625 1.00 0.00 H new ATOM 0 HE1 MET B 293 10.652 13.093 -7.708 1.00 0.00 H new ATOM 0 HE2 MET B 293 10.410 13.836 -9.306 1.00 0.00 H new ATOM 0 HE3 MET B 293 9.611 12.296 -8.911 1.00 0.00 H new ATOM 2045 N SER B 294 7.505 10.028 -12.805 1.00 0.00 N ATOM 2046 CA SER B 294 6.309 9.175 -12.834 1.00 0.00 C ATOM 2047 C SER B 294 6.126 8.389 -14.139 1.00 0.00 C ATOM 2048 O SER B 294 5.549 7.305 -14.110 1.00 0.00 O ATOM 2049 CB SER B 294 5.057 10.000 -12.539 1.00 0.00 C ATOM 2050 OG SER B 294 4.648 10.725 -13.679 1.00 0.00 O ATOM 0 H SER B 294 7.293 11.024 -12.755 1.00 0.00 H new ATOM 0 HA SER B 294 6.462 8.430 -12.053 1.00 0.00 H new ATOM 0 HB2 SER B 294 4.251 9.341 -12.214 1.00 0.00 H new ATOM 0 HB3 SER B 294 5.256 10.689 -11.718 1.00 0.00 H new ATOM 0 HG SER B 294 5.434 11.108 -14.122 1.00 0.00 H new