USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 677 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 Single : A 1 ALA N :NH3+ -136:sc= -1.24 (180deg=-3.96!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 65:sc= -0.494! USER MOD Single : A 13 GLN : amide:sc= -0.0207 X(o=-0.021,f=-0.21) USER MOD Single : A 15 ASN : amide:sc= -26.5! C(o=-26!,f=-40!) USER MOD Single : A 19 SER OG : rot -8:sc= 0.815! USER MOD Single : A 20 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.035) USER MOD Single : A 27 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.065) USER MOD Single : A 29 MET CE :methyl 157:sc= -3.53! (180deg=-6.47!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.415 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 58:sc= 0.993 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0924) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -153:sc= -0.139 (180deg=-0.993) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.13 F(o=-0.74,f=-0.13) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0.0437 X(o=0.044,f=-0.029) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 65:sc= 0.0618 USER MOD Single : A 58 THR OG1 : rot 117:sc= 0.141 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 71 MET CE :methyl -157:sc= -0.369 (180deg=-1.24) USER MOD Single : A 75 LYS NZ :NH3+ -144:sc= -0.247 (180deg=-1.19!) USER MOD Single : A 78 ASN : amide:sc= -8.21! C(o=-8.2!,f=-19!) USER MOD Single : A 79 HIS : no HE2:sc= -20.5! C(o=-21!,f=-26!) USER MOD Single : A 80 THR OG1 : rot 156:sc= -2.46! USER MOD Single : A 83 HIS : no HE2:sc= -4.53! C(o=-4.5!,f=-6!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -2.17! C(o=-2.2!,f=-3.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.270 19.499 -3.509 1.00 0.00 N ATOM 2 CA ALA A 1 -4.182 20.980 -3.602 1.00 0.00 C ATOM 3 C ALA A 1 -3.428 21.563 -2.410 1.00 0.00 C ATOM 4 O ALA A 1 -2.442 22.280 -2.578 1.00 0.00 O ATOM 5 CB ALA A 1 -5.574 21.586 -3.695 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.062 19.080 -4.438 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.581 19.153 -2.811 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.229 19.226 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.627 21.229 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.495 22.671 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.079 21.203 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.147 21.319 -2.807 1.00 0.00 H new ATOM 13 N PRO A 2 -3.887 21.261 -1.185 1.00 0.00 N ATOM 14 CA PRO A 2 -3.255 21.759 0.041 1.00 0.00 C ATOM 15 C PRO A 2 -1.774 21.408 0.112 1.00 0.00 C ATOM 16 O PRO A 2 -1.099 21.307 -0.913 1.00 0.00 O ATOM 17 CB PRO A 2 -4.023 21.049 1.158 1.00 0.00 C ATOM 18 CG PRO A 2 -5.337 20.695 0.551 1.00 0.00 C ATOM 19 CD PRO A 2 -5.059 20.415 -0.900 1.00 0.00 C ATOM 0 HA PRO A 2 -3.296 22.846 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.493 20.160 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.150 21.697 2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.771 19.823 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.051 21.511 0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.846 19.360 -1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.908 20.677 -1.531 1.00 0.00 H new ATOM 27 N ASP A 3 -1.276 21.219 1.328 1.00 0.00 N ATOM 28 CA ASP A 3 0.125 20.874 1.537 1.00 0.00 C ATOM 29 C ASP A 3 0.286 19.374 1.753 1.00 0.00 C ATOM 30 O ASP A 3 0.539 18.625 0.810 1.00 0.00 O ATOM 31 CB ASP A 3 0.684 21.638 2.739 1.00 0.00 C ATOM 32 CG ASP A 3 0.746 23.131 2.494 1.00 0.00 C ATOM 33 OD1 ASP A 3 1.238 23.537 1.421 1.00 0.00 O ATOM 34 OD2 ASP A 3 0.301 23.896 3.376 1.00 0.00 O ATOM 0 H ASP A 3 -1.822 21.299 2.186 1.00 0.00 H new ATOM 0 HA ASP A 3 0.683 21.157 0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.063 21.441 3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.683 21.268 2.969 1.00 0.00 H new ATOM 39 N VAL A 4 0.132 18.943 3.000 1.00 0.00 N ATOM 40 CA VAL A 4 0.254 17.532 3.343 1.00 0.00 C ATOM 41 C VAL A 4 -1.118 16.912 3.582 1.00 0.00 C ATOM 42 O VAL A 4 -1.482 16.603 4.717 1.00 0.00 O ATOM 43 CB VAL A 4 1.123 17.333 4.598 1.00 0.00 C ATOM 44 CG1 VAL A 4 1.474 15.864 4.779 1.00 0.00 C ATOM 45 CG2 VAL A 4 2.381 18.182 4.516 1.00 0.00 C ATOM 0 H VAL A 4 -0.078 19.552 3.791 1.00 0.00 H new ATOM 0 HA VAL A 4 0.734 17.037 2.499 1.00 0.00 H new ATOM 0 HB VAL A 4 0.550 17.655 5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.088 15.744 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.559 15.282 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.027 15.512 3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.983 18.028 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.958 17.894 3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.106 19.234 4.440 1.00 0.00 H new ATOM 55 N GLN A 5 -1.877 16.736 2.505 1.00 0.00 N ATOM 56 CA GLN A 5 -3.213 16.157 2.595 1.00 0.00 C ATOM 57 C GLN A 5 -3.712 15.728 1.217 1.00 0.00 C ATOM 58 O GLN A 5 -4.390 16.492 0.531 1.00 0.00 O ATOM 59 CB GLN A 5 -4.183 17.165 3.217 1.00 0.00 C ATOM 60 CG GLN A 5 -5.619 17.006 2.742 1.00 0.00 C ATOM 61 CD GLN A 5 -6.629 17.276 3.841 1.00 0.00 C ATOM 62 OE1 GLN A 5 -6.754 16.500 4.787 1.00 0.00 O ATOM 63 NE2 GLN A 5 -7.353 18.382 3.720 1.00 0.00 N ATOM 0 H GLN A 5 -1.589 16.986 1.559 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.162 15.274 3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.155 17.061 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.843 18.174 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.801 17.687 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.762 15.995 2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.215 18.997 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.047 18.617 4.429 1.00 0.00 H new ATOM 72 N ASP A 6 -3.368 14.500 0.827 1.00 0.00 N ATOM 73 CA ASP A 6 -3.768 13.943 -0.466 1.00 0.00 C ATOM 74 C ASP A 6 -2.563 13.359 -1.194 1.00 0.00 C ATOM 75 O ASP A 6 -1.881 14.056 -1.946 1.00 0.00 O ATOM 76 CB ASP A 6 -4.435 15.008 -1.341 1.00 0.00 C ATOM 77 CG ASP A 6 -4.723 14.510 -2.743 1.00 0.00 C ATOM 78 OD1 ASP A 6 -4.420 13.333 -3.029 1.00 0.00 O ATOM 79 OD2 ASP A 6 -5.252 15.298 -3.555 1.00 0.00 O ATOM 0 H ASP A 6 -2.807 13.866 1.396 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.489 13.148 -0.276 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.367 15.326 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.790 15.885 -1.396 1.00 0.00 H new ATOM 84 N CYS A 7 -2.303 12.077 -0.962 1.00 0.00 N ATOM 85 CA CYS A 7 -1.175 11.400 -1.591 1.00 0.00 C ATOM 86 C CYS A 7 -1.657 10.324 -2.563 1.00 0.00 C ATOM 87 O CYS A 7 -2.775 9.822 -2.447 1.00 0.00 O ATOM 88 CB CYS A 7 -0.262 10.792 -0.519 1.00 0.00 C ATOM 89 SG CYS A 7 -0.076 8.981 -0.608 1.00 0.00 S ATOM 0 H CYS A 7 -2.858 11.486 -0.343 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.605 12.134 -2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.724 11.249 -0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.654 11.055 0.463 1.00 0.00 H new ATOM 94 N PRO A 8 -0.810 9.962 -3.538 1.00 0.00 N ATOM 95 CA PRO A 8 -1.139 8.946 -4.544 1.00 0.00 C ATOM 96 C PRO A 8 -1.667 7.658 -3.924 1.00 0.00 C ATOM 97 O PRO A 8 -1.041 7.081 -3.035 1.00 0.00 O ATOM 98 CB PRO A 8 0.199 8.694 -5.238 1.00 0.00 C ATOM 99 CG PRO A 8 0.945 9.973 -5.079 1.00 0.00 C ATOM 100 CD PRO A 8 0.540 10.519 -3.738 1.00 0.00 C ATOM 0 HA PRO A 8 -1.931 9.280 -5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.734 7.862 -4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.060 8.443 -6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.021 9.806 -5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.697 10.672 -5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.226 10.204 -2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.530 11.609 -3.734 1.00 0.00 H new ATOM 108 N GLU A 9 -2.821 7.209 -4.405 1.00 0.00 N ATOM 109 CA GLU A 9 -3.433 5.991 -3.908 1.00 0.00 C ATOM 110 C GLU A 9 -2.403 4.882 -3.780 1.00 0.00 C ATOM 111 O GLU A 9 -1.305 4.963 -4.330 1.00 0.00 O ATOM 112 CB GLU A 9 -4.559 5.548 -4.843 1.00 0.00 C ATOM 113 CG GLU A 9 -5.806 5.076 -4.116 1.00 0.00 C ATOM 114 CD GLU A 9 -6.603 4.072 -4.924 1.00 0.00 C ATOM 115 OE1 GLU A 9 -6.194 3.768 -6.065 1.00 0.00 O ATOM 116 OE2 GLU A 9 -7.636 3.588 -4.415 1.00 0.00 O ATOM 0 H GLU A 9 -3.350 7.675 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.846 6.196 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.823 6.378 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.194 4.743 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.520 4.627 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.436 5.935 -3.887 1.00 0.00 H new ATOM 123 N CYS A 10 -2.775 3.850 -3.045 1.00 0.00 N ATOM 124 CA CYS A 10 -1.902 2.706 -2.823 1.00 0.00 C ATOM 125 C CYS A 10 -1.089 2.383 -4.073 1.00 0.00 C ATOM 126 O CYS A 10 -1.631 1.923 -5.078 1.00 0.00 O ATOM 127 CB CYS A 10 -2.728 1.489 -2.404 1.00 0.00 C ATOM 128 SG CYS A 10 -1.953 -0.114 -2.792 1.00 0.00 S ATOM 0 H CYS A 10 -3.684 3.778 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.206 2.960 -2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.910 1.541 -1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.700 1.538 -2.895 1.00 0.00 H new ATOM 133 N THR A 11 0.217 2.618 -3.997 1.00 0.00 N ATOM 134 CA THR A 11 1.113 2.344 -5.112 1.00 0.00 C ATOM 135 C THR A 11 2.545 2.240 -4.617 1.00 0.00 C ATOM 136 O THR A 11 2.782 2.092 -3.420 1.00 0.00 O ATOM 137 CB THR A 11 1.007 3.434 -6.179 1.00 0.00 C ATOM 138 OG1 THR A 11 2.044 3.303 -7.137 1.00 0.00 O ATOM 139 CG2 THR A 11 1.081 4.835 -5.614 1.00 0.00 C ATOM 0 H THR A 11 0.679 2.999 -3.171 1.00 0.00 H new ATOM 0 HA THR A 11 0.819 1.395 -5.561 1.00 0.00 H new ATOM 0 HB THR A 11 0.027 3.294 -6.635 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.932 2.462 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.000 5.559 -6.425 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.264 4.987 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.033 4.971 -5.101 1.00 0.00 H new ATOM 147 N LEU A 12 3.495 2.318 -5.538 1.00 0.00 N ATOM 148 CA LEU A 12 4.903 2.228 -5.182 1.00 0.00 C ATOM 149 C LEU A 12 5.619 3.543 -5.417 1.00 0.00 C ATOM 150 O LEU A 12 5.432 4.193 -6.445 1.00 0.00 O ATOM 151 CB LEU A 12 5.591 1.136 -5.995 1.00 0.00 C ATOM 152 CG LEU A 12 5.289 -0.287 -5.544 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.801 -0.448 -5.291 1.00 0.00 C ATOM 154 CD2 LEU A 12 5.774 -1.276 -6.589 1.00 0.00 C ATOM 0 H LEU A 12 3.317 2.443 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 12 4.953 1.985 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.296 1.241 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.668 1.295 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 12 5.816 -0.489 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.595 -1.469 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.487 0.248 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.251 -0.239 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.554 -2.291 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.267 -1.084 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.850 -1.164 -6.725 1.00 0.00 H new ATOM 166 N GLN A 13 6.458 3.919 -4.466 1.00 0.00 N ATOM 167 CA GLN A 13 7.223 5.148 -4.583 1.00 0.00 C ATOM 168 C GLN A 13 8.580 4.861 -5.171 1.00 0.00 C ATOM 169 O GLN A 13 9.607 5.371 -4.724 1.00 0.00 O ATOM 170 CB GLN A 13 7.368 5.816 -3.243 1.00 0.00 C ATOM 171 CG GLN A 13 6.120 6.565 -2.838 1.00 0.00 C ATOM 172 CD GLN A 13 6.367 8.043 -2.603 1.00 0.00 C ATOM 173 OE1 GLN A 13 7.346 8.427 -1.963 1.00 0.00 O ATOM 174 NE2 GLN A 13 5.475 8.880 -3.122 1.00 0.00 N ATOM 0 H GLN A 13 6.626 3.393 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 13 6.686 5.825 -5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.599 5.065 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.210 6.507 -3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.364 6.447 -3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.715 6.121 -1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.679 8.516 -3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.587 9.886 -2.997 1.00 0.00 H new ATOM 183 N GLU A 14 8.540 4.021 -6.173 1.00 0.00 N ATOM 184 CA GLU A 14 9.731 3.583 -6.893 1.00 0.00 C ATOM 185 C GLU A 14 10.949 4.387 -6.500 1.00 0.00 C ATOM 186 O GLU A 14 11.013 5.597 -6.714 1.00 0.00 O ATOM 187 CB GLU A 14 9.541 3.683 -8.393 1.00 0.00 C ATOM 188 CG GLU A 14 10.825 3.471 -9.182 1.00 0.00 C ATOM 189 CD GLU A 14 10.949 4.425 -10.355 1.00 0.00 C ATOM 190 OE1 GLU A 14 10.062 4.402 -11.235 1.00 0.00 O ATOM 191 OE2 GLU A 14 11.932 5.194 -10.395 1.00 0.00 O ATOM 0 H GLU A 14 7.674 3.611 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 14 9.889 2.540 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.804 2.944 -8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.133 4.664 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.681 3.601 -8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.858 2.445 -9.547 1.00 0.00 H new ATOM 198 N ASN A 15 11.913 3.701 -5.934 1.00 0.00 N ATOM 199 CA ASN A 15 13.147 4.343 -5.513 1.00 0.00 C ATOM 200 C ASN A 15 14.229 4.238 -6.575 1.00 0.00 C ATOM 201 O ASN A 15 14.829 3.181 -6.776 1.00 0.00 O ATOM 202 CB ASN A 15 13.632 3.814 -4.153 1.00 0.00 C ATOM 203 CG ASN A 15 14.965 3.109 -4.189 1.00 0.00 C ATOM 204 OD1 ASN A 15 15.888 3.513 -4.891 1.00 0.00 O ATOM 205 ND2 ASN A 15 15.067 2.054 -3.395 1.00 0.00 N ATOM 0 H ASN A 15 11.872 2.698 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 15 12.926 5.403 -5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.697 4.649 -3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.884 3.127 -3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.944 1.535 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.269 1.760 -2.832 1.00 0.00 H new ATOM 212 N PRO A 16 14.509 5.367 -7.250 1.00 0.00 N ATOM 213 CA PRO A 16 15.544 5.443 -8.269 1.00 0.00 C ATOM 214 C PRO A 16 16.898 5.610 -7.609 1.00 0.00 C ATOM 215 O PRO A 16 17.915 5.850 -8.260 1.00 0.00 O ATOM 216 CB PRO A 16 15.160 6.686 -9.065 1.00 0.00 C ATOM 217 CG PRO A 16 14.488 7.573 -8.072 1.00 0.00 C ATOM 218 CD PRO A 16 13.857 6.672 -7.035 1.00 0.00 C ATOM 0 HA PRO A 16 15.615 4.553 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 16 16.037 7.167 -9.497 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.493 6.438 -9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.207 8.250 -7.610 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.733 8.192 -8.556 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.031 7.043 -6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.777 6.605 -7.168 1.00 0.00 H new ATOM 226 N PHE A 17 16.879 5.448 -6.294 1.00 0.00 N ATOM 227 CA PHE A 17 18.066 5.536 -5.473 1.00 0.00 C ATOM 228 C PHE A 17 18.814 4.240 -5.585 1.00 0.00 C ATOM 229 O PHE A 17 19.962 4.194 -6.029 1.00 0.00 O ATOM 230 CB PHE A 17 17.681 5.756 -4.015 1.00 0.00 C ATOM 231 CG PHE A 17 18.602 6.686 -3.289 1.00 0.00 C ATOM 232 CD1 PHE A 17 19.906 6.853 -3.717 1.00 0.00 C ATOM 233 CD2 PHE A 17 18.166 7.386 -2.178 1.00 0.00 C ATOM 234 CE1 PHE A 17 20.765 7.706 -3.051 1.00 0.00 C ATOM 235 CE2 PHE A 17 19.019 8.242 -1.506 1.00 0.00 C ATOM 236 CZ PHE A 17 20.321 8.402 -1.943 1.00 0.00 C ATOM 0 H PHE A 17 16.028 5.250 -5.767 1.00 0.00 H new ATOM 0 HA PHE A 17 18.681 6.371 -5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 17 16.667 6.154 -3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 17 17.669 4.795 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 17 20.257 6.310 -4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 17 17.150 7.263 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 17 21.781 7.828 -3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 17 18.669 8.785 -0.641 1.00 0.00 H new ATOM 0 HZ PHE A 17 20.989 9.069 -1.419 1.00 0.00 H new ATOM 246 N PHE A 18 18.132 3.176 -5.196 1.00 0.00 N ATOM 247 CA PHE A 18 18.713 1.859 -5.274 1.00 0.00 C ATOM 248 C PHE A 18 18.885 1.472 -6.736 1.00 0.00 C ATOM 249 O PHE A 18 19.882 0.863 -7.118 1.00 0.00 O ATOM 250 CB PHE A 18 17.829 0.845 -4.560 1.00 0.00 C ATOM 251 CG PHE A 18 18.234 -0.573 -4.832 1.00 0.00 C ATOM 252 CD1 PHE A 18 18.146 -1.102 -6.110 1.00 0.00 C ATOM 253 CD2 PHE A 18 18.724 -1.366 -3.812 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.542 -2.402 -6.363 1.00 0.00 C ATOM 255 CE2 PHE A 18 19.128 -2.665 -4.058 1.00 0.00 C ATOM 256 CZ PHE A 18 19.037 -3.184 -5.336 1.00 0.00 C ATOM 0 H PHE A 18 17.182 3.204 -4.826 1.00 0.00 H new ATOM 0 HA PHE A 18 19.687 1.866 -4.784 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.867 1.029 -3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.794 0.989 -4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.764 -0.493 -6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.792 -0.966 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.465 -2.806 -7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 18 19.514 -3.273 -3.253 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.352 -4.198 -5.532 1.00 0.00 H new ATOM 266 N SER A 19 17.892 1.857 -7.540 1.00 0.00 N ATOM 267 CA SER A 19 17.876 1.594 -8.979 1.00 0.00 C ATOM 268 C SER A 19 18.871 0.511 -9.384 1.00 0.00 C ATOM 269 O SER A 19 20.080 0.663 -9.211 1.00 0.00 O ATOM 270 CB SER A 19 18.169 2.887 -9.739 1.00 0.00 C ATOM 271 OG SER A 19 19.564 3.107 -9.858 1.00 0.00 O ATOM 0 H SER A 19 17.071 2.363 -7.208 1.00 0.00 H new ATOM 0 HA SER A 19 16.882 1.227 -9.236 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.720 2.838 -10.731 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.708 3.728 -9.221 1.00 0.00 H new ATOM 0 HG SER A 19 20.047 2.444 -9.321 1.00 0.00 H new ATOM 277 N GLN A 20 18.352 -0.578 -9.944 1.00 0.00 N ATOM 278 CA GLN A 20 19.196 -1.681 -10.386 1.00 0.00 C ATOM 279 C GLN A 20 19.350 -1.665 -11.902 1.00 0.00 C ATOM 280 O GLN A 20 18.634 -0.947 -12.598 1.00 0.00 O ATOM 281 CB GLN A 20 18.608 -3.020 -9.926 1.00 0.00 C ATOM 282 CG GLN A 20 17.901 -3.797 -11.028 1.00 0.00 C ATOM 283 CD GLN A 20 17.561 -5.218 -10.616 1.00 0.00 C ATOM 284 OE1 GLN A 20 17.713 -6.156 -11.399 1.00 0.00 O ATOM 285 NE2 GLN A 20 17.100 -5.384 -9.381 1.00 0.00 N ATOM 0 H GLN A 20 17.354 -0.719 -10.102 1.00 0.00 H new ATOM 0 HA GLN A 20 20.182 -1.560 -9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.409 -3.636 -9.518 1.00 0.00 H new ATOM 0 HB3 GLN A 20 17.903 -2.836 -9.115 1.00 0.00 H new ATOM 0 HG2 GLN A 20 16.986 -3.275 -11.306 1.00 0.00 H new ATOM 0 HG3 GLN A 20 18.535 -3.822 -11.914 1.00 0.00 H new ATOM 0 HE21 GLN A 20 16.990 -4.578 -8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 20 16.857 -6.317 -9.049 1.00 0.00 H new ATOM 294 N PRO A 21 20.294 -2.458 -12.428 1.00 0.00 N ATOM 295 CA PRO A 21 20.548 -2.539 -13.869 1.00 0.00 C ATOM 296 C PRO A 21 19.293 -2.898 -14.659 1.00 0.00 C ATOM 297 O PRO A 21 19.210 -3.969 -15.261 1.00 0.00 O ATOM 298 CB PRO A 21 21.591 -3.654 -13.989 1.00 0.00 C ATOM 299 CG PRO A 21 22.250 -3.710 -12.654 1.00 0.00 C ATOM 300 CD PRO A 21 21.192 -3.334 -11.656 1.00 0.00 C ATOM 0 HA PRO A 21 20.879 -1.584 -14.276 1.00 0.00 H new ATOM 0 HB2 PRO A 21 21.124 -4.607 -14.239 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.312 -3.437 -14.777 1.00 0.00 H new ATOM 0 HG2 PRO A 21 22.640 -4.708 -12.453 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.094 -3.022 -12.606 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.669 -4.211 -11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.616 -2.817 -10.795 1.00 0.00 H new ATOM 308 N GLY A 22 18.320 -1.993 -14.656 1.00 0.00 N ATOM 309 CA GLY A 22 17.085 -2.229 -15.379 1.00 0.00 C ATOM 310 C GLY A 22 15.877 -2.349 -14.469 1.00 0.00 C ATOM 311 O GLY A 22 14.911 -3.036 -14.804 1.00 0.00 O ATOM 0 H GLY A 22 18.365 -1.100 -14.165 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.922 -1.414 -16.084 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.183 -3.143 -15.965 1.00 0.00 H new ATOM 315 N ALA A 23 15.921 -1.682 -13.318 1.00 0.00 N ATOM 316 CA ALA A 23 14.810 -1.729 -12.376 1.00 0.00 C ATOM 317 C ALA A 23 14.960 -0.694 -11.280 1.00 0.00 C ATOM 318 O ALA A 23 15.956 -0.654 -10.558 1.00 0.00 O ATOM 319 CB ALA A 23 14.676 -3.120 -11.781 1.00 0.00 C ATOM 0 H ALA A 23 16.709 -1.107 -13.018 1.00 0.00 H new ATOM 0 HA ALA A 23 13.900 -1.493 -12.928 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.842 -3.137 -11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.495 -3.841 -12.578 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.595 -3.382 -11.257 1.00 0.00 H new ATOM 325 N PRO A 24 13.949 0.165 -11.162 1.00 0.00 N ATOM 326 CA PRO A 24 13.904 1.230 -10.187 1.00 0.00 C ATOM 327 C PRO A 24 13.114 0.845 -8.946 1.00 0.00 C ATOM 328 O PRO A 24 11.889 0.745 -8.972 1.00 0.00 O ATOM 329 CB PRO A 24 13.203 2.324 -10.979 1.00 0.00 C ATOM 330 CG PRO A 24 12.273 1.602 -11.911 1.00 0.00 C ATOM 331 CD PRO A 24 12.746 0.176 -12.001 1.00 0.00 C ATOM 0 HA PRO A 24 14.882 1.510 -9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.655 2.998 -10.320 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.920 2.931 -11.531 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.249 1.644 -11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.276 2.070 -12.895 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.993 -0.521 -11.634 1.00 0.00 H new ATOM 0 HD3 PRO A 24 12.970 -0.109 -13.029 1.00 0.00 H new ATOM 339 N ILE A 25 13.849 0.617 -7.869 1.00 0.00 N ATOM 340 CA ILE A 25 13.291 0.228 -6.596 1.00 0.00 C ATOM 341 C ILE A 25 12.007 0.944 -6.257 1.00 0.00 C ATOM 342 O ILE A 25 11.472 1.703 -7.061 1.00 0.00 O ATOM 343 CB ILE A 25 14.309 0.463 -5.494 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.525 -0.367 -5.791 1.00 0.00 C ATOM 345 CG2 ILE A 25 13.727 0.057 -4.162 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.143 -1.710 -6.328 1.00 0.00 C ATOM 0 H ILE A 25 14.866 0.700 -7.861 1.00 0.00 H new ATOM 0 HA ILE A 25 13.048 -0.832 -6.677 1.00 0.00 H new ATOM 0 HB ILE A 25 14.575 1.519 -5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.155 0.151 -6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.116 -0.490 -4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.463 0.228 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.835 0.649 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.463 -1.000 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.043 -2.289 -6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.534 -2.236 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.573 -1.585 -7.249 1.00 0.00 H new ATOM 358 N LEU A 26 11.477 0.633 -5.074 1.00 0.00 N ATOM 359 CA LEU A 26 10.215 1.178 -4.645 1.00 0.00 C ATOM 360 C LEU A 26 10.040 1.173 -3.153 1.00 0.00 C ATOM 361 O LEU A 26 10.987 1.170 -2.376 1.00 0.00 O ATOM 362 CB LEU A 26 9.144 0.316 -5.265 1.00 0.00 C ATOM 363 CG LEU A 26 9.665 -0.496 -6.438 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.223 -1.937 -6.351 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.246 0.129 -7.756 1.00 0.00 C ATOM 0 H LEU A 26 11.914 0.002 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 26 10.161 2.221 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.741 -0.358 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.321 0.947 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 26 10.754 -0.486 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.613 -2.489 -7.206 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.602 -2.379 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.134 -1.984 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.631 -0.470 -8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.158 0.167 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.648 1.140 -7.823 1.00 0.00 H new ATOM 377 N GLN A 27 8.785 1.179 -2.799 1.00 0.00 N ATOM 378 CA GLN A 27 8.355 1.172 -1.408 1.00 0.00 C ATOM 379 C GLN A 27 6.939 1.723 -1.295 1.00 0.00 C ATOM 380 O GLN A 27 6.729 2.884 -0.942 1.00 0.00 O ATOM 381 CB GLN A 27 9.337 1.963 -0.544 1.00 0.00 C ATOM 382 CG GLN A 27 8.728 2.545 0.723 1.00 0.00 C ATOM 383 CD GLN A 27 8.849 4.055 0.782 1.00 0.00 C ATOM 384 OE1 GLN A 27 7.859 4.773 0.645 1.00 0.00 O ATOM 385 NE2 GLN A 27 10.067 4.545 0.987 1.00 0.00 N ATOM 0 H GLN A 27 8.015 1.189 -3.468 1.00 0.00 H new ATOM 0 HA GLN A 27 8.345 0.146 -1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.167 1.312 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.754 2.775 -1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.676 2.265 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.220 2.110 1.593 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.860 3.912 1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.209 5.554 1.036 1.00 0.00 H new ATOM 394 N CYS A 28 5.982 0.863 -1.623 1.00 0.00 N ATOM 395 CA CYS A 28 4.561 1.196 -1.599 1.00 0.00 C ATOM 396 C CYS A 28 4.285 2.494 -0.848 1.00 0.00 C ATOM 397 O CYS A 28 4.503 2.583 0.360 1.00 0.00 O ATOM 398 CB CYS A 28 3.754 0.056 -0.969 1.00 0.00 C ATOM 399 SG CYS A 28 2.186 -0.313 -1.828 1.00 0.00 S ATOM 0 H CYS A 28 6.172 -0.095 -1.916 1.00 0.00 H new ATOM 0 HA CYS A 28 4.251 1.337 -2.634 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.368 -0.844 -0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.536 0.310 0.068 1.00 0.00 H new ATOM 404 N MET A 29 3.792 3.495 -1.571 1.00 0.00 N ATOM 405 CA MET A 29 3.470 4.784 -0.972 1.00 0.00 C ATOM 406 C MET A 29 2.365 4.626 0.071 1.00 0.00 C ATOM 407 O MET A 29 2.415 5.231 1.141 1.00 0.00 O ATOM 408 CB MET A 29 3.035 5.777 -2.051 1.00 0.00 C ATOM 409 CG MET A 29 2.716 7.164 -1.515 1.00 0.00 C ATOM 410 SD MET A 29 3.669 7.584 -0.043 1.00 0.00 S ATOM 411 CE MET A 29 2.365 8.123 1.060 1.00 0.00 C ATOM 0 H MET A 29 3.607 3.437 -2.572 1.00 0.00 H new ATOM 0 HA MET A 29 4.363 5.168 -0.480 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.826 5.859 -2.797 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.156 5.383 -2.561 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.913 7.902 -2.292 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.653 7.222 -1.282 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.699 8.026 2.093 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.121 9.165 0.853 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.480 7.506 0.906 1.00 0.00 H new ATOM 421 N GLY A 30 1.374 3.797 -0.249 1.00 0.00 N ATOM 422 CA GLY A 30 0.273 3.558 0.668 1.00 0.00 C ATOM 423 C GLY A 30 -0.614 4.773 0.866 1.00 0.00 C ATOM 424 O GLY A 30 -0.197 5.762 1.469 1.00 0.00 O ATOM 0 H GLY A 30 1.314 3.286 -1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.331 2.732 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.673 3.247 1.633 1.00 0.00 H new ATOM 428 N CYS A 31 -1.844 4.693 0.364 1.00 0.00 N ATOM 429 CA CYS A 31 -2.797 5.788 0.495 1.00 0.00 C ATOM 430 C CYS A 31 -4.189 5.347 0.054 1.00 0.00 C ATOM 431 O CYS A 31 -4.793 5.956 -0.828 1.00 0.00 O ATOM 432 CB CYS A 31 -2.343 6.991 -0.331 1.00 0.00 C ATOM 433 SG CYS A 31 -1.514 8.287 0.644 1.00 0.00 S ATOM 0 H CYS A 31 -2.203 3.880 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.841 6.077 1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.664 6.648 -1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.210 7.424 -0.830 1.00 0.00 H new ATOM 438 N CYS A 32 -4.691 4.283 0.673 1.00 0.00 N ATOM 439 CA CYS A 32 -6.011 3.759 0.343 1.00 0.00 C ATOM 440 C CYS A 32 -7.109 4.612 0.968 1.00 0.00 C ATOM 441 O CYS A 32 -8.296 4.329 0.804 1.00 0.00 O ATOM 442 CB CYS A 32 -6.144 2.309 0.812 1.00 0.00 C ATOM 443 SG CYS A 32 -5.788 1.078 -0.482 1.00 0.00 S ATOM 0 H CYS A 32 -4.203 3.767 1.406 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.124 3.792 -0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.468 2.146 1.651 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.156 2.149 1.183 1.00 0.00 H new ATOM 448 N PHE A 33 -6.706 5.658 1.684 1.00 0.00 N ATOM 449 CA PHE A 33 -7.660 6.550 2.332 1.00 0.00 C ATOM 450 C PHE A 33 -8.638 5.758 3.193 1.00 0.00 C ATOM 451 O PHE A 33 -9.474 5.017 2.677 1.00 0.00 O ATOM 452 CB PHE A 33 -8.421 7.363 1.282 1.00 0.00 C ATOM 453 CG PHE A 33 -7.527 8.008 0.261 1.00 0.00 C ATOM 454 CD1 PHE A 33 -6.288 8.513 0.625 1.00 0.00 C ATOM 455 CD2 PHE A 33 -7.925 8.111 -1.063 1.00 0.00 C ATOM 456 CE1 PHE A 33 -5.464 9.108 -0.312 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.105 8.705 -2.003 1.00 0.00 C ATOM 458 CZ PHE A 33 -5.873 9.205 -1.627 1.00 0.00 C ATOM 0 H PHE A 33 -5.728 5.908 1.829 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.108 7.234 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.130 6.711 0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.003 8.136 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.963 8.441 1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.887 7.722 -1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.501 9.497 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.427 8.778 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.231 9.671 -2.360 1.00 0.00 H new ATOM 468 N SER A 34 -8.527 5.915 4.508 1.00 0.00 N ATOM 469 CA SER A 34 -9.400 5.207 5.438 1.00 0.00 C ATOM 470 C SER A 34 -10.720 5.949 5.630 1.00 0.00 C ATOM 471 O SER A 34 -11.335 5.876 6.694 1.00 0.00 O ATOM 472 CB SER A 34 -8.704 5.026 6.788 1.00 0.00 C ATOM 473 OG SER A 34 -8.337 3.673 6.996 1.00 0.00 O ATOM 0 H SER A 34 -7.842 6.525 4.954 1.00 0.00 H new ATOM 0 HA SER A 34 -9.617 4.227 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.816 5.657 6.830 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.367 5.353 7.589 1.00 0.00 H new ATOM 0 HG SER A 34 -7.893 3.584 7.865 1.00 0.00 H new ATOM 479 N ARG A 35 -11.152 6.659 4.594 1.00 0.00 N ATOM 480 CA ARG A 35 -12.400 7.409 4.651 1.00 0.00 C ATOM 481 C ARG A 35 -13.490 6.708 3.848 1.00 0.00 C ATOM 482 O ARG A 35 -13.235 6.179 2.767 1.00 0.00 O ATOM 483 CB ARG A 35 -12.187 8.830 4.127 1.00 0.00 C ATOM 484 CG ARG A 35 -11.902 9.841 5.225 1.00 0.00 C ATOM 485 CD ARG A 35 -12.935 9.755 6.336 1.00 0.00 C ATOM 486 NE ARG A 35 -13.462 11.067 6.699 1.00 0.00 N ATOM 487 CZ ARG A 35 -14.429 11.250 7.591 1.00 0.00 C ATOM 488 NH1 ARG A 35 -14.958 10.209 8.220 1.00 0.00 N ATOM 489 NH2 ARG A 35 -14.864 12.474 7.858 1.00 0.00 N ATOM 0 H ARG A 35 -10.656 6.731 3.705 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.722 7.461 5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.357 8.828 3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.074 9.143 3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.908 9.665 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.900 10.847 4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.755 9.111 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.485 9.290 7.213 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.066 11.889 6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.622 9.267 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.701 10.350 8.905 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.456 13.276 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.607 12.613 8.543 1.00 0.00 H new ATOM 503 N ALA A 36 -14.704 6.705 4.387 1.00 0.00 N ATOM 504 CA ALA A 36 -15.833 6.065 3.722 1.00 0.00 C ATOM 505 C ALA A 36 -15.947 6.518 2.271 1.00 0.00 C ATOM 506 O ALA A 36 -15.061 7.194 1.749 1.00 0.00 O ATOM 507 CB ALA A 36 -17.124 6.362 4.470 1.00 0.00 C ATOM 0 H ALA A 36 -14.932 7.138 5.282 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.661 4.989 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.958 5.878 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -17.050 5.982 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.290 7.439 4.495 1.00 0.00 H new ATOM 513 N TYR A 37 -17.046 6.138 1.625 1.00 0.00 N ATOM 514 CA TYR A 37 -17.283 6.501 0.232 1.00 0.00 C ATOM 515 C TYR A 37 -16.665 7.856 -0.096 1.00 0.00 C ATOM 516 O TYR A 37 -15.833 7.965 -0.997 1.00 0.00 O ATOM 517 CB TYR A 37 -18.784 6.519 -0.060 1.00 0.00 C ATOM 518 CG TYR A 37 -19.479 5.236 0.331 1.00 0.00 C ATOM 519 CD1 TYR A 37 -18.763 4.052 0.451 1.00 0.00 C ATOM 520 CD2 TYR A 37 -20.844 5.207 0.584 1.00 0.00 C ATOM 521 CE1 TYR A 37 -19.387 2.875 0.812 1.00 0.00 C ATOM 522 CE2 TYR A 37 -21.476 4.033 0.947 1.00 0.00 C ATOM 523 CZ TYR A 37 -20.743 2.870 1.059 1.00 0.00 C ATOM 524 OH TYR A 37 -21.367 1.699 1.420 1.00 0.00 O ATOM 0 H TYR A 37 -17.787 5.578 2.045 1.00 0.00 H new ATOM 0 HA TYR A 37 -16.807 5.751 -0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -19.242 7.351 0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.939 6.700 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -17.700 4.052 0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -21.421 6.116 0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.816 1.963 0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -22.538 4.026 1.142 1.00 0.00 H new ATOM 0 HH TYR A 37 -22.322 1.867 1.559 1.00 0.00 H new ATOM 534 N PRO A 38 -17.055 8.910 0.637 1.00 0.00 N ATOM 535 CA PRO A 38 -16.531 10.253 0.425 1.00 0.00 C ATOM 536 C PRO A 38 -15.032 10.236 0.146 1.00 0.00 C ATOM 537 O PRO A 38 -14.234 9.874 1.010 1.00 0.00 O ATOM 538 CB PRO A 38 -16.831 10.980 1.746 1.00 0.00 C ATOM 539 CG PRO A 38 -17.529 9.986 2.627 1.00 0.00 C ATOM 540 CD PRO A 38 -18.023 8.883 1.733 1.00 0.00 C ATOM 0 HA PRO A 38 -16.982 10.738 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.911 11.334 2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -17.458 11.855 1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.848 9.595 3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -18.358 10.455 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -18.032 7.920 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -19.039 9.068 1.383 1.00 0.00 H new ATOM 548 N THR A 39 -14.657 10.620 -1.069 1.00 0.00 N ATOM 549 CA THR A 39 -13.255 10.641 -1.463 1.00 0.00 C ATOM 550 C THR A 39 -13.120 10.651 -2.983 1.00 0.00 C ATOM 551 O THR A 39 -13.435 9.666 -3.651 1.00 0.00 O ATOM 552 CB THR A 39 -12.525 9.429 -0.876 1.00 0.00 C ATOM 553 OG1 THR A 39 -11.958 9.749 0.382 1.00 0.00 O ATOM 554 CG2 THR A 39 -11.411 8.905 -1.759 1.00 0.00 C ATOM 0 H THR A 39 -15.305 10.921 -1.797 1.00 0.00 H new ATOM 0 HA THR A 39 -12.802 11.552 -1.073 1.00 0.00 H new ATOM 0 HB THR A 39 -13.286 8.654 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.663 10.057 0.989 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.939 8.047 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 39 -11.822 8.602 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.669 9.689 -1.912 1.00 0.00 H new ATOM 562 N PRO A 40 -12.648 11.771 -3.548 1.00 0.00 N ATOM 563 CA PRO A 40 -12.469 11.917 -4.993 1.00 0.00 C ATOM 564 C PRO A 40 -11.717 10.740 -5.606 1.00 0.00 C ATOM 565 O PRO A 40 -10.493 10.774 -5.732 1.00 0.00 O ATOM 566 CB PRO A 40 -11.651 13.211 -5.140 1.00 0.00 C ATOM 567 CG PRO A 40 -11.249 13.605 -3.754 1.00 0.00 C ATOM 568 CD PRO A 40 -12.252 12.983 -2.827 1.00 0.00 C ATOM 0 HA PRO A 40 -13.427 11.949 -5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.776 13.050 -5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.243 13.995 -5.612 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.242 13.255 -3.528 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.241 14.690 -3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.816 12.752 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.101 13.643 -2.647 1.00 0.00 H new ATOM 576 N LEU A 41 -12.463 9.704 -5.986 1.00 0.00 N ATOM 577 CA LEU A 41 -11.882 8.507 -6.592 1.00 0.00 C ATOM 578 C LEU A 41 -12.663 7.261 -6.194 1.00 0.00 C ATOM 579 O LEU A 41 -12.937 7.040 -5.014 1.00 0.00 O ATOM 580 CB LEU A 41 -10.418 8.337 -6.180 1.00 0.00 C ATOM 581 CG LEU A 41 -9.828 6.955 -6.470 1.00 0.00 C ATOM 582 CD1 LEU A 41 -8.372 7.072 -6.891 1.00 0.00 C ATOM 583 CD2 LEU A 41 -9.963 6.052 -5.253 1.00 0.00 C ATOM 0 H LEU A 41 -13.477 9.670 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.935 8.633 -7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.820 9.088 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.330 8.538 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.386 6.509 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.971 6.079 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.302 7.682 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.798 7.540 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.538 5.073 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.431 6.494 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.017 5.940 -4.998 1.00 0.00 H new ATOM 595 N ARG A 42 -13.012 6.444 -7.182 1.00 0.00 N ATOM 596 CA ARG A 42 -13.754 5.215 -6.927 1.00 0.00 C ATOM 597 C ARG A 42 -12.809 4.098 -6.497 1.00 0.00 C ATOM 598 O ARG A 42 -12.295 3.349 -7.328 1.00 0.00 O ATOM 599 CB ARG A 42 -14.533 4.792 -8.174 1.00 0.00 C ATOM 600 CG ARG A 42 -15.942 5.360 -8.228 1.00 0.00 C ATOM 601 CD ARG A 42 -16.972 4.266 -8.452 1.00 0.00 C ATOM 602 NE ARG A 42 -18.236 4.559 -7.783 1.00 0.00 N ATOM 603 CZ ARG A 42 -18.682 3.901 -6.716 1.00 0.00 C ATOM 604 NH1 ARG A 42 -17.962 2.923 -6.178 1.00 0.00 N ATOM 605 NH2 ARG A 42 -19.851 4.226 -6.180 1.00 0.00 N ATOM 0 H ARG A 42 -12.794 6.610 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 42 -14.461 5.404 -6.119 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.986 5.112 -9.061 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.586 3.704 -8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.161 5.883 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.009 6.095 -9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.147 4.146 -9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.579 3.318 -8.085 1.00 0.00 H new ATOM 0 HE ARG A 42 -18.812 5.314 -8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.060 2.672 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.311 2.423 -5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -20.406 4.979 -6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -20.195 3.723 -5.362 1.00 0.00 H new ATOM 619 N SER A 43 -12.580 3.996 -5.192 1.00 0.00 N ATOM 620 CA SER A 43 -11.693 2.974 -4.647 1.00 0.00 C ATOM 621 C SER A 43 -12.396 1.625 -4.566 1.00 0.00 C ATOM 622 O SER A 43 -13.616 1.539 -4.704 1.00 0.00 O ATOM 623 CB SER A 43 -11.204 3.383 -3.257 1.00 0.00 C ATOM 624 OG SER A 43 -11.832 2.608 -2.250 1.00 0.00 O ATOM 0 H SER A 43 -12.997 4.609 -4.491 1.00 0.00 H new ATOM 0 HA SER A 43 -10.839 2.880 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.123 3.258 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.412 4.440 -3.091 1.00 0.00 H new ATOM 0 HG SER A 43 -11.503 2.886 -1.370 1.00 0.00 H new ATOM 630 N LYS A 44 -11.617 0.574 -4.332 1.00 0.00 N ATOM 631 CA LYS A 44 -12.163 -0.771 -4.222 1.00 0.00 C ATOM 632 C LYS A 44 -13.194 -0.834 -3.101 1.00 0.00 C ATOM 633 O LYS A 44 -13.553 0.189 -2.519 1.00 0.00 O ATOM 634 CB LYS A 44 -11.042 -1.780 -3.958 1.00 0.00 C ATOM 635 CG LYS A 44 -9.851 -1.627 -4.890 1.00 0.00 C ATOM 636 CD LYS A 44 -9.181 -2.964 -5.161 1.00 0.00 C ATOM 637 CE LYS A 44 -9.412 -3.422 -6.592 1.00 0.00 C ATOM 638 NZ LYS A 44 -8.132 -3.667 -7.311 1.00 0.00 N ATOM 0 H LYS A 44 -10.605 0.629 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.650 -1.024 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.702 -1.671 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.442 -2.789 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.178 -1.185 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.129 -0.939 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.111 -2.881 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.569 -3.713 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.007 -4.335 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.989 -2.667 -7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.334 -3.978 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.575 -2.789 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.592 -4.406 -6.817 1.00 0.00 H new ATOM 652 N LYS A 45 -13.662 -2.038 -2.795 1.00 0.00 N ATOM 653 CA LYS A 45 -14.645 -2.224 -1.736 1.00 0.00 C ATOM 654 C LYS A 45 -14.635 -3.662 -1.231 1.00 0.00 C ATOM 655 O LYS A 45 -13.796 -4.467 -1.634 1.00 0.00 O ATOM 656 CB LYS A 45 -16.045 -1.842 -2.225 1.00 0.00 C ATOM 657 CG LYS A 45 -16.552 -2.694 -3.378 1.00 0.00 C ATOM 658 CD LYS A 45 -18.018 -3.055 -3.195 1.00 0.00 C ATOM 659 CE LYS A 45 -18.180 -4.466 -2.657 1.00 0.00 C ATOM 660 NZ LYS A 45 -19.609 -4.806 -2.401 1.00 0.00 N ATOM 0 H LYS A 45 -13.377 -2.898 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.375 -1.568 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.744 -1.923 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.038 -0.797 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.422 -2.154 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.957 -3.605 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.485 -2.347 -2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.538 -2.966 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.761 -5.176 -3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.612 -4.569 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.666 -5.729 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.036 -4.077 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.123 -4.849 -3.304 1.00 0.00 H new ATOM 674 N THR A 46 -15.568 -3.976 -0.341 1.00 0.00 N ATOM 675 CA THR A 46 -15.663 -5.314 0.226 1.00 0.00 C ATOM 676 C THR A 46 -16.598 -5.321 1.428 1.00 0.00 C ATOM 677 O THR A 46 -16.446 -4.515 2.345 1.00 0.00 O ATOM 678 CB THR A 46 -14.278 -5.815 0.640 1.00 0.00 C ATOM 679 OG1 THR A 46 -14.376 -6.719 1.726 1.00 0.00 O ATOM 680 CG2 THR A 46 -13.339 -4.702 1.051 1.00 0.00 C ATOM 0 H THR A 46 -16.270 -3.321 0.004 1.00 0.00 H new ATOM 0 HA THR A 46 -16.068 -5.980 -0.536 1.00 0.00 H new ATOM 0 HB THR A 46 -13.870 -6.304 -0.245 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.480 -7.029 1.975 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.375 -5.125 1.333 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.204 -4.014 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.761 -4.165 1.900 1.00 0.00 H new ATOM 688 N MET A 47 -17.567 -6.228 1.417 1.00 0.00 N ATOM 689 CA MET A 47 -18.524 -6.326 2.510 1.00 0.00 C ATOM 690 C MET A 47 -19.080 -7.740 2.631 1.00 0.00 C ATOM 691 O MET A 47 -18.785 -8.610 1.810 1.00 0.00 O ATOM 692 CB MET A 47 -19.667 -5.331 2.303 1.00 0.00 C ATOM 693 CG MET A 47 -20.285 -5.396 0.915 1.00 0.00 C ATOM 694 SD MET A 47 -22.085 -5.321 0.954 1.00 0.00 S ATOM 695 CE MET A 47 -22.462 -6.837 1.828 1.00 0.00 C ATOM 0 H MET A 47 -17.710 -6.903 0.666 1.00 0.00 H new ATOM 0 HA MET A 47 -18.002 -6.085 3.436 1.00 0.00 H new ATOM 0 HB2 MET A 47 -20.442 -5.520 3.046 1.00 0.00 H new ATOM 0 HB3 MET A 47 -19.296 -4.322 2.480 1.00 0.00 H new ATOM 0 HG2 MET A 47 -19.904 -4.572 0.313 1.00 0.00 H new ATOM 0 HG3 MET A 47 -19.974 -6.319 0.426 1.00 0.00 H new ATOM 0 HE1 MET A 47 -23.451 -7.189 1.535 1.00 0.00 H new ATOM 0 HE2 MET A 47 -21.719 -7.595 1.580 1.00 0.00 H new ATOM 0 HE3 MET A 47 -22.446 -6.651 2.902 1.00 0.00 H new ATOM 705 N LEU A 48 -19.888 -7.959 3.662 1.00 0.00 N ATOM 706 CA LEU A 48 -20.492 -9.264 3.900 1.00 0.00 C ATOM 707 C LEU A 48 -21.772 -9.126 4.719 1.00 0.00 C ATOM 708 O LEU A 48 -21.992 -8.110 5.377 1.00 0.00 O ATOM 709 CB LEU A 48 -19.505 -10.181 4.624 1.00 0.00 C ATOM 710 CG LEU A 48 -19.515 -10.070 6.148 1.00 0.00 C ATOM 711 CD1 LEU A 48 -20.355 -11.182 6.758 1.00 0.00 C ATOM 712 CD2 LEU A 48 -18.094 -10.110 6.691 1.00 0.00 C ATOM 0 H LEU A 48 -20.140 -7.247 4.348 1.00 0.00 H new ATOM 0 HA LEU A 48 -20.744 -9.704 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -19.723 -11.213 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.499 -9.961 4.266 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.962 -9.115 6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -20.351 -11.087 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -21.379 -11.108 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.938 -12.149 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.117 -10.030 7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.622 -11.050 6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.523 -9.278 6.278 1.00 0.00 H new ATOM 724 N VAL A 49 -22.613 -10.153 4.670 1.00 0.00 N ATOM 725 CA VAL A 49 -23.872 -10.148 5.405 1.00 0.00 C ATOM 726 C VAL A 49 -23.644 -9.887 6.892 1.00 0.00 C ATOM 727 O VAL A 49 -22.508 -9.720 7.335 1.00 0.00 O ATOM 728 CB VAL A 49 -24.625 -11.482 5.230 1.00 0.00 C ATOM 729 CG1 VAL A 49 -24.102 -12.532 6.200 1.00 0.00 C ATOM 730 CG2 VAL A 49 -26.122 -11.278 5.411 1.00 0.00 C ATOM 0 H VAL A 49 -22.445 -11.001 4.128 1.00 0.00 H new ATOM 0 HA VAL A 49 -24.478 -9.341 4.993 1.00 0.00 H new ATOM 0 HB VAL A 49 -24.448 -11.843 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -24.649 -13.464 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -23.041 -12.702 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -24.241 -12.183 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -26.637 -12.230 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -26.318 -10.890 6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -26.485 -10.567 4.668 1.00 0.00 H new ATOM 740 N GLN A 50 -24.732 -9.853 7.657 1.00 0.00 N ATOM 741 CA GLN A 50 -24.655 -9.613 9.094 1.00 0.00 C ATOM 742 C GLN A 50 -24.476 -8.128 9.394 1.00 0.00 C ATOM 743 O GLN A 50 -23.490 -7.516 8.986 1.00 0.00 O ATOM 744 CB GLN A 50 -23.503 -10.410 9.707 1.00 0.00 C ATOM 745 CG GLN A 50 -23.952 -11.426 10.744 1.00 0.00 C ATOM 746 CD GLN A 50 -23.136 -11.357 12.020 1.00 0.00 C ATOM 747 OE1 GLN A 50 -21.864 -10.999 11.889 1.00 0.00 O flip ATOM 748 NE2 GLN A 50 -23.643 -11.622 13.110 1.00 0.00 N flip ATOM 0 H GLN A 50 -25.679 -9.989 7.304 1.00 0.00 H new ATOM 0 HA GLN A 50 -25.594 -9.943 9.539 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -22.966 -10.927 8.912 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -22.799 -9.718 10.169 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -25.003 -11.259 10.980 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -23.876 -12.428 10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -24.625 -11.893 13.163 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -23.081 -11.571 13.960 1.00 0.00 H new ATOM 757 N LYS A 51 -25.439 -7.557 10.111 1.00 0.00 N ATOM 758 CA LYS A 51 -25.394 -6.144 10.471 1.00 0.00 C ATOM 759 C LYS A 51 -24.956 -5.288 9.284 1.00 0.00 C ATOM 760 O LYS A 51 -24.806 -5.785 8.168 1.00 0.00 O ATOM 761 CB LYS A 51 -24.448 -5.928 11.657 1.00 0.00 C ATOM 762 CG LYS A 51 -23.078 -5.399 11.261 1.00 0.00 C ATOM 763 CD LYS A 51 -22.075 -5.537 12.394 1.00 0.00 C ATOM 764 CE LYS A 51 -20.648 -5.363 11.896 1.00 0.00 C ATOM 765 NZ LYS A 51 -19.645 -5.745 12.928 1.00 0.00 N ATOM 0 H LYS A 51 -26.262 -8.052 10.455 1.00 0.00 H new ATOM 0 HA LYS A 51 -26.399 -5.836 10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -24.909 -5.229 12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -24.323 -6.872 12.187 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.717 -5.941 10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.161 -4.351 10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.287 -4.793 13.162 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.183 -6.517 12.860 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.499 -5.971 11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.490 -4.325 11.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.687 -5.611 12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.769 -5.148 13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.778 -6.743 13.188 1.00 0.00 H new ATOM 779 N ASN A 52 -24.753 -3.999 9.536 1.00 0.00 N ATOM 780 CA ASN A 52 -24.331 -3.069 8.494 1.00 0.00 C ATOM 781 C ASN A 52 -22.845 -2.752 8.622 1.00 0.00 C ATOM 782 O ASN A 52 -22.443 -1.948 9.463 1.00 0.00 O ATOM 783 CB ASN A 52 -25.145 -1.778 8.577 1.00 0.00 C ATOM 784 CG ASN A 52 -25.655 -1.507 9.979 1.00 0.00 C ATOM 785 OD1 ASN A 52 -26.854 -1.330 10.192 1.00 0.00 O ATOM 786 ND2 ASN A 52 -24.743 -1.476 10.944 1.00 0.00 N ATOM 0 H ASN A 52 -24.874 -3.574 10.455 1.00 0.00 H new ATOM 0 HA ASN A 52 -24.504 -3.540 7.527 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -24.529 -0.941 8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -25.990 -1.839 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -25.026 -1.300 11.908 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -23.759 -1.628 10.721 1.00 0.00 H new ATOM 793 N VAL A 53 -22.035 -3.390 7.785 1.00 0.00 N ATOM 794 CA VAL A 53 -20.594 -3.175 7.808 1.00 0.00 C ATOM 795 C VAL A 53 -20.242 -1.753 7.384 1.00 0.00 C ATOM 796 O VAL A 53 -20.930 -1.154 6.558 1.00 0.00 O ATOM 797 CB VAL A 53 -19.863 -4.173 6.890 1.00 0.00 C ATOM 798 CG1 VAL A 53 -19.655 -5.500 7.602 1.00 0.00 C ATOM 799 CG2 VAL A 53 -20.635 -4.371 5.593 1.00 0.00 C ATOM 0 H VAL A 53 -22.351 -4.059 7.083 1.00 0.00 H new ATOM 0 HA VAL A 53 -20.266 -3.333 8.836 1.00 0.00 H new ATOM 0 HB VAL A 53 -18.884 -3.762 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.137 -6.192 6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -19.057 -5.342 8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -20.622 -5.919 7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -20.103 -5.079 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -21.629 -4.759 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -20.727 -3.416 5.075 1.00 0.00 H new ATOM 809 N THR A 54 -19.168 -1.219 7.955 1.00 0.00 N ATOM 810 CA THR A 54 -18.726 0.132 7.634 1.00 0.00 C ATOM 811 C THR A 54 -17.518 0.528 8.478 1.00 0.00 C ATOM 812 O THR A 54 -17.600 0.601 9.704 1.00 0.00 O ATOM 813 CB THR A 54 -19.866 1.129 7.850 1.00 0.00 C ATOM 814 OG1 THR A 54 -20.785 0.641 8.811 1.00 0.00 O ATOM 815 CG2 THR A 54 -20.641 1.430 6.586 1.00 0.00 C ATOM 0 H THR A 54 -18.588 -1.701 8.642 1.00 0.00 H new ATOM 0 HA THR A 54 -18.431 0.150 6.585 1.00 0.00 H new ATOM 0 HB THR A 54 -19.388 2.046 8.193 1.00 0.00 H new ATOM 0 HG1 THR A 54 -21.505 1.294 8.936 1.00 0.00 H new ATOM 0 HG21 THR A 54 -21.435 2.143 6.807 1.00 0.00 H new ATOM 0 HG22 THR A 54 -19.969 1.854 5.840 1.00 0.00 H new ATOM 0 HG23 THR A 54 -21.078 0.509 6.199 1.00 0.00 H new ATOM 823 N SER A 55 -16.399 0.782 7.809 1.00 0.00 N ATOM 824 CA SER A 55 -15.165 1.173 8.485 1.00 0.00 C ATOM 825 C SER A 55 -14.042 1.369 7.472 1.00 0.00 C ATOM 826 O SER A 55 -14.284 1.408 6.265 1.00 0.00 O ATOM 827 CB SER A 55 -14.764 0.118 9.518 1.00 0.00 C ATOM 828 OG SER A 55 -14.216 0.721 10.678 1.00 0.00 O ATOM 0 H SER A 55 -16.320 0.724 6.794 1.00 0.00 H new ATOM 0 HA SER A 55 -15.340 2.118 9.000 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.635 -0.477 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.036 -0.565 9.081 1.00 0.00 H new ATOM 0 HG SER A 55 -13.970 0.025 11.323 1.00 0.00 H new ATOM 834 N GLU A 56 -12.813 1.493 7.962 1.00 0.00 N ATOM 835 CA GLU A 56 -11.665 1.686 7.084 1.00 0.00 C ATOM 836 C GLU A 56 -10.358 1.345 7.792 1.00 0.00 C ATOM 837 O GLU A 56 -10.209 1.566 8.994 1.00 0.00 O ATOM 838 CB GLU A 56 -11.625 3.128 6.573 1.00 0.00 C ATOM 839 CG GLU A 56 -12.135 3.277 5.149 1.00 0.00 C ATOM 840 CD GLU A 56 -11.199 2.659 4.129 1.00 0.00 C ATOM 841 OE1 GLU A 56 -10.151 2.116 4.538 1.00 0.00 O ATOM 842 OE2 GLU A 56 -11.514 2.717 2.922 1.00 0.00 O ATOM 0 H GLU A 56 -12.587 1.464 8.956 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.776 1.008 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.223 3.756 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.600 3.496 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.116 2.809 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.266 4.335 4.922 1.00 0.00 H new ATOM 849 N SER A 57 -9.414 0.802 7.029 1.00 0.00 N ATOM 850 CA SER A 57 -8.112 0.421 7.562 1.00 0.00 C ATOM 851 C SER A 57 -7.259 -0.218 6.472 1.00 0.00 C ATOM 852 O SER A 57 -6.378 0.425 5.901 1.00 0.00 O ATOM 853 CB SER A 57 -8.277 -0.554 8.729 1.00 0.00 C ATOM 854 OG SER A 57 -7.849 0.030 9.946 1.00 0.00 O ATOM 0 H SER A 57 -9.529 0.615 6.033 1.00 0.00 H new ATOM 0 HA SER A 57 -7.612 1.321 7.921 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.322 -0.852 8.813 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.702 -1.459 8.535 1.00 0.00 H new ATOM 0 HG SER A 57 -8.430 0.787 10.167 1.00 0.00 H new ATOM 860 N THR A 58 -7.534 -1.485 6.184 1.00 0.00 N ATOM 861 CA THR A 58 -6.803 -2.218 5.157 1.00 0.00 C ATOM 862 C THR A 58 -5.321 -1.853 5.167 1.00 0.00 C ATOM 863 O THR A 58 -4.819 -1.277 6.132 1.00 0.00 O ATOM 864 CB THR A 58 -7.400 -1.933 3.779 1.00 0.00 C ATOM 865 OG1 THR A 58 -7.202 -0.577 3.418 1.00 0.00 O ATOM 866 CG2 THR A 58 -8.885 -2.218 3.696 1.00 0.00 C ATOM 0 H THR A 58 -8.261 -2.028 6.650 1.00 0.00 H new ATOM 0 HA THR A 58 -6.894 -3.282 5.376 1.00 0.00 H new ATOM 0 HB THR A 58 -6.880 -2.605 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.631 -0.530 2.623 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.243 -1.994 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.067 -3.269 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.416 -1.596 4.417 1.00 0.00 H new ATOM 874 N CYS A 59 -4.628 -2.194 4.085 1.00 0.00 N ATOM 875 CA CYS A 59 -3.203 -1.902 3.965 1.00 0.00 C ATOM 876 C CYS A 59 -2.596 -2.630 2.771 1.00 0.00 C ATOM 877 O CYS A 59 -2.901 -3.796 2.520 1.00 0.00 O ATOM 878 CB CYS A 59 -2.469 -2.297 5.248 1.00 0.00 C ATOM 879 SG CYS A 59 -3.198 -3.724 6.114 1.00 0.00 S ATOM 0 H CYS A 59 -5.030 -2.673 3.279 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.090 -0.829 3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.431 -2.525 5.004 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.457 -1.443 5.925 1.00 0.00 H new ATOM 884 N CYS A 60 -1.740 -1.930 2.034 1.00 0.00 N ATOM 885 CA CYS A 60 -1.094 -2.506 0.862 1.00 0.00 C ATOM 886 C CYS A 60 0.294 -3.041 1.197 1.00 0.00 C ATOM 887 O CYS A 60 1.221 -2.275 1.456 1.00 0.00 O ATOM 888 CB CYS A 60 -0.996 -1.464 -0.252 1.00 0.00 C ATOM 889 SG CYS A 60 -2.514 -1.302 -1.247 1.00 0.00 S ATOM 0 H CYS A 60 -1.478 -0.963 2.228 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.705 -3.342 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.757 -0.496 0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.168 -1.727 -0.910 1.00 0.00 H new ATOM 894 N VAL A 61 0.427 -4.364 1.177 1.00 0.00 N ATOM 895 CA VAL A 61 1.700 -5.012 1.464 1.00 0.00 C ATOM 896 C VAL A 61 2.256 -5.672 0.207 1.00 0.00 C ATOM 897 O VAL A 61 2.224 -6.895 0.074 1.00 0.00 O ATOM 898 CB VAL A 61 1.558 -6.071 2.574 1.00 0.00 C ATOM 899 CG1 VAL A 61 1.854 -5.462 3.936 1.00 0.00 C ATOM 900 CG2 VAL A 61 0.169 -6.692 2.551 1.00 0.00 C ATOM 0 H VAL A 61 -0.334 -5.009 0.964 1.00 0.00 H new ATOM 0 HA VAL A 61 2.388 -4.239 1.808 1.00 0.00 H new ATOM 0 HB VAL A 61 2.286 -6.861 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.748 -6.226 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.872 -5.073 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.154 -4.650 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.090 -7.437 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.579 -5.915 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.000 -7.169 1.586 1.00 0.00 H new ATOM 910 N ALA A 62 2.757 -4.846 -0.713 1.00 0.00 N ATOM 911 CA ALA A 62 3.318 -5.325 -1.975 1.00 0.00 C ATOM 912 C ALA A 62 2.846 -6.743 -2.313 1.00 0.00 C ATOM 913 O ALA A 62 3.307 -7.718 -1.721 1.00 0.00 O ATOM 914 CB ALA A 62 4.837 -5.258 -1.934 1.00 0.00 C ATOM 0 H ALA A 62 2.785 -3.832 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 62 2.955 -4.670 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.243 -5.617 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.151 -4.227 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.207 -5.882 -1.120 1.00 0.00 H new ATOM 920 N LYS A 63 1.938 -6.848 -3.285 1.00 0.00 N ATOM 921 CA LYS A 63 1.416 -8.138 -3.719 1.00 0.00 C ATOM 922 C LYS A 63 2.571 -9.085 -3.980 1.00 0.00 C ATOM 923 O LYS A 63 2.446 -10.304 -3.867 1.00 0.00 O ATOM 924 CB LYS A 63 0.579 -7.963 -4.989 1.00 0.00 C ATOM 925 CG LYS A 63 0.131 -9.274 -5.618 1.00 0.00 C ATOM 926 CD LYS A 63 -0.069 -9.128 -7.119 1.00 0.00 C ATOM 927 CE LYS A 63 -1.475 -9.525 -7.540 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.711 -9.273 -8.989 1.00 0.00 N ATOM 0 H LYS A 63 1.550 -6.049 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 63 0.780 -8.554 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.301 -7.365 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.159 -7.400 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.874 -10.047 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.800 -9.602 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.121 -8.096 -7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.657 -9.748 -7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.634 -10.582 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.202 -8.966 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.680 -9.556 -9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.584 -8.261 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.034 -9.826 -9.552 1.00 0.00 H new ATOM 942 N SER A 64 3.702 -8.488 -4.313 1.00 0.00 N ATOM 943 CA SER A 64 4.924 -9.227 -4.583 1.00 0.00 C ATOM 944 C SER A 64 6.111 -8.282 -4.510 1.00 0.00 C ATOM 945 O SER A 64 6.130 -7.243 -5.170 1.00 0.00 O ATOM 946 CB SER A 64 4.866 -9.900 -5.954 1.00 0.00 C ATOM 947 OG SER A 64 4.752 -11.307 -5.827 1.00 0.00 O ATOM 0 H SER A 64 3.800 -7.477 -4.404 1.00 0.00 H new ATOM 0 HA SER A 64 5.034 -10.009 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.017 -9.513 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.764 -9.654 -6.521 1.00 0.00 H new ATOM 0 HG SER A 64 4.715 -11.714 -6.718 1.00 0.00 H new ATOM 953 N TYR A 65 7.088 -8.630 -3.692 1.00 0.00 N ATOM 954 CA TYR A 65 8.261 -7.787 -3.526 1.00 0.00 C ATOM 955 C TYR A 65 9.487 -8.387 -4.179 1.00 0.00 C ATOM 956 O TYR A 65 9.600 -9.605 -4.315 1.00 0.00 O ATOM 957 CB TYR A 65 8.566 -7.570 -2.041 1.00 0.00 C ATOM 958 CG TYR A 65 8.162 -8.720 -1.146 1.00 0.00 C ATOM 959 CD1 TYR A 65 8.612 -10.011 -1.393 1.00 0.00 C ATOM 960 CD2 TYR A 65 7.338 -8.511 -0.048 1.00 0.00 C ATOM 961 CE1 TYR A 65 8.252 -11.061 -0.571 1.00 0.00 C ATOM 962 CE2 TYR A 65 6.972 -9.556 0.778 1.00 0.00 C ATOM 963 CZ TYR A 65 7.431 -10.829 0.513 1.00 0.00 C ATOM 964 OH TYR A 65 7.069 -11.871 1.336 1.00 0.00 O ATOM 0 H TYR A 65 7.094 -9.484 -3.135 1.00 0.00 H new ATOM 0 HA TYR A 65 8.030 -6.837 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.635 -7.393 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.055 -6.668 -1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.254 -10.197 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.977 -7.515 0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.611 -12.059 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.329 -9.377 1.627 1.00 0.00 H new ATOM 0 HH TYR A 65 6.489 -11.536 2.052 1.00 0.00 H new ATOM 974 N ASN A 66 10.435 -7.528 -4.526 1.00 0.00 N ATOM 975 CA ASN A 66 11.690 -8.000 -5.098 1.00 0.00 C ATOM 976 C ASN A 66 12.806 -7.473 -4.236 1.00 0.00 C ATOM 977 O ASN A 66 13.940 -7.275 -4.668 1.00 0.00 O ATOM 978 CB ASN A 66 11.855 -7.558 -6.550 1.00 0.00 C ATOM 979 CG ASN A 66 12.091 -8.721 -7.490 1.00 0.00 C ATOM 980 OD1 ASN A 66 11.166 -9.213 -8.137 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.339 -9.166 -7.571 1.00 0.00 N ATOM 0 H ASN A 66 10.363 -6.516 -4.424 1.00 0.00 H new ATOM 0 HA ASN A 66 11.703 -9.090 -5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.963 -7.017 -6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.691 -6.863 -6.621 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.563 -9.946 -8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.074 -8.727 -7.016 1.00 0.00 H new ATOM 988 N ARG A 67 12.411 -7.249 -3.002 1.00 0.00 N ATOM 989 CA ARG A 67 13.266 -6.729 -1.950 1.00 0.00 C ATOM 990 C ARG A 67 14.660 -6.399 -2.455 1.00 0.00 C ATOM 991 O ARG A 67 15.370 -7.247 -2.997 1.00 0.00 O ATOM 992 CB ARG A 67 13.326 -7.727 -0.807 1.00 0.00 C ATOM 993 CG ARG A 67 13.181 -7.098 0.568 1.00 0.00 C ATOM 994 CD ARG A 67 13.984 -7.860 1.610 1.00 0.00 C ATOM 995 NE ARG A 67 15.295 -8.258 1.101 1.00 0.00 N ATOM 996 CZ ARG A 67 15.864 -9.434 1.350 1.00 0.00 C ATOM 997 NH1 ARG A 67 15.249 -10.330 2.111 1.00 0.00 N ATOM 998 NH2 ARG A 67 17.055 -9.714 0.838 1.00 0.00 N ATOM 0 H ARG A 67 11.457 -7.428 -2.690 1.00 0.00 H new ATOM 0 HA ARG A 67 12.834 -5.794 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.537 -8.467 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 67 14.275 -8.261 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.516 -6.061 0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.130 -7.083 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.112 -7.239 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.430 -8.746 1.919 1.00 0.00 H new ATOM 0 HE ARG A 67 15.805 -7.593 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.334 -10.119 2.509 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.691 -11.230 2.298 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.533 -9.028 0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.493 -10.615 1.028 1.00 0.00 H new ATOM 1012 N VAL A 68 15.032 -5.147 -2.265 1.00 0.00 N ATOM 1013 CA VAL A 68 16.332 -4.650 -2.690 1.00 0.00 C ATOM 1014 C VAL A 68 16.961 -3.772 -1.613 1.00 0.00 C ATOM 1015 O VAL A 68 17.457 -2.681 -1.892 1.00 0.00 O ATOM 1016 CB VAL A 68 16.219 -3.840 -4.002 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.295 -4.522 -4.997 1.00 0.00 C ATOM 1018 CG2 VAL A 68 15.732 -2.427 -3.722 1.00 0.00 C ATOM 0 H VAL A 68 14.445 -4.446 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 68 16.967 -5.519 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 68 17.215 -3.789 -4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.238 -3.926 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.684 -5.512 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.300 -4.617 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.660 -1.875 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.751 -2.467 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.435 -1.925 -3.058 1.00 0.00 H new ATOM 1028 N THR A 69 16.925 -4.257 -0.382 1.00 0.00 N ATOM 1029 CA THR A 69 17.474 -3.527 0.751 1.00 0.00 C ATOM 1030 C THR A 69 18.634 -2.636 0.334 1.00 0.00 C ATOM 1031 O THR A 69 19.657 -3.112 -0.159 1.00 0.00 O ATOM 1032 CB THR A 69 17.941 -4.478 1.848 1.00 0.00 C ATOM 1033 OG1 THR A 69 16.842 -5.151 2.437 1.00 0.00 O ATOM 1034 CG2 THR A 69 18.692 -3.761 2.947 1.00 0.00 C ATOM 0 H THR A 69 16.518 -5.161 -0.140 1.00 0.00 H new ATOM 0 HA THR A 69 16.671 -2.900 1.138 1.00 0.00 H new ATOM 0 HB THR A 69 18.610 -5.190 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.166 -5.756 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 69 19.004 -4.481 3.704 1.00 0.00 H new ATOM 0 HG22 THR A 69 19.571 -3.272 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 69 18.043 -3.013 3.403 1.00 0.00 H new ATOM 1042 N VAL A 70 18.468 -1.341 0.552 1.00 0.00 N ATOM 1043 CA VAL A 70 19.502 -0.367 0.219 1.00 0.00 C ATOM 1044 C VAL A 70 20.063 0.297 1.462 1.00 0.00 C ATOM 1045 O VAL A 70 19.810 -0.129 2.588 1.00 0.00 O ATOM 1046 CB VAL A 70 18.989 0.745 -0.713 1.00 0.00 C ATOM 1047 CG1 VAL A 70 19.915 0.907 -1.911 1.00 0.00 C ATOM 1048 CG2 VAL A 70 17.559 0.472 -1.155 1.00 0.00 C ATOM 0 H VAL A 70 17.625 -0.937 0.959 1.00 0.00 H new ATOM 0 HA VAL A 70 20.279 -0.936 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 70 18.987 1.683 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 70 19.537 1.698 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 70 20.915 1.169 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 70 19.957 -0.029 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.222 1.273 -1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 70 17.518 -0.477 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.911 0.424 -0.280 1.00 0.00 H new ATOM 1058 N MET A 71 20.828 1.353 1.227 1.00 0.00 N ATOM 1059 CA MET A 71 21.453 2.123 2.294 1.00 0.00 C ATOM 1060 C MET A 71 21.676 1.272 3.538 1.00 0.00 C ATOM 1061 O MET A 71 22.050 0.103 3.444 1.00 0.00 O ATOM 1062 CB MET A 71 20.598 3.339 2.647 1.00 0.00 C ATOM 1063 CG MET A 71 19.707 3.804 1.515 1.00 0.00 C ATOM 1064 SD MET A 71 20.640 4.415 0.097 1.00 0.00 S ATOM 1065 CE MET A 71 21.766 5.555 0.897 1.00 0.00 C ATOM 0 H MET A 71 21.033 1.701 0.290 1.00 0.00 H new ATOM 0 HA MET A 71 22.424 2.459 1.931 1.00 0.00 H new ATOM 0 HB2 MET A 71 19.978 3.098 3.510 1.00 0.00 H new ATOM 0 HB3 MET A 71 21.252 4.159 2.943 1.00 0.00 H new ATOM 0 HG2 MET A 71 19.071 2.978 1.197 1.00 0.00 H new ATOM 0 HG3 MET A 71 19.048 4.593 1.878 1.00 0.00 H new ATOM 0 HE1 MET A 71 22.112 6.293 0.173 1.00 0.00 H new ATOM 0 HE2 MET A 71 21.252 6.061 1.714 1.00 0.00 H new ATOM 0 HE3 MET A 71 22.621 5.006 1.291 1.00 0.00 H new ATOM 1075 N GLY A 72 21.445 1.868 4.705 1.00 0.00 N ATOM 1076 CA GLY A 72 21.623 1.157 5.951 1.00 0.00 C ATOM 1077 C GLY A 72 20.797 -0.112 6.029 1.00 0.00 C ATOM 1078 O GLY A 72 20.968 -0.916 6.945 1.00 0.00 O ATOM 0 H GLY A 72 21.137 2.835 4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.677 0.907 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.353 1.812 6.779 1.00 0.00 H new ATOM 1082 N GLY A 73 19.897 -0.292 5.067 1.00 0.00 N ATOM 1083 CA GLY A 73 19.057 -1.470 5.052 1.00 0.00 C ATOM 1084 C GLY A 73 17.632 -1.163 4.633 1.00 0.00 C ATOM 1085 O GLY A 73 16.694 -1.831 5.070 1.00 0.00 O ATOM 0 H GLY A 73 19.736 0.359 4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 73 19.482 -2.206 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 73 19.051 -1.921 6.044 1.00 0.00 H new ATOM 1089 N PHE A 74 17.466 -0.152 3.783 1.00 0.00 N ATOM 1090 CA PHE A 74 16.141 0.232 3.309 1.00 0.00 C ATOM 1091 C PHE A 74 15.499 -0.903 2.530 1.00 0.00 C ATOM 1092 O PHE A 74 15.914 -1.217 1.416 1.00 0.00 O ATOM 1093 CB PHE A 74 16.216 1.470 2.421 1.00 0.00 C ATOM 1094 CG PHE A 74 16.365 2.764 3.174 1.00 0.00 C ATOM 1095 CD1 PHE A 74 15.869 2.902 4.462 1.00 0.00 C ATOM 1096 CD2 PHE A 74 17.001 3.845 2.586 1.00 0.00 C ATOM 1097 CE1 PHE A 74 16.007 4.095 5.147 1.00 0.00 C ATOM 1098 CE2 PHE A 74 17.141 5.040 3.267 1.00 0.00 C ATOM 1099 CZ PHE A 74 16.644 5.164 4.549 1.00 0.00 C ATOM 0 H PHE A 74 18.229 0.413 3.411 1.00 0.00 H new ATOM 0 HA PHE A 74 15.533 0.458 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 74 17.058 1.362 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 74 15.314 1.520 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 74 15.370 2.069 4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 74 17.392 3.753 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 74 15.617 4.191 6.149 1.00 0.00 H new ATOM 0 HE2 PHE A 74 17.638 5.875 2.797 1.00 0.00 H new ATOM 0 HZ PHE A 74 16.753 6.096 5.083 1.00 0.00 H new ATOM 1109 N LYS A 75 14.483 -1.506 3.122 1.00 0.00 N ATOM 1110 CA LYS A 75 13.772 -2.609 2.489 1.00 0.00 C ATOM 1111 C LYS A 75 12.597 -2.093 1.669 1.00 0.00 C ATOM 1112 O LYS A 75 11.596 -1.627 2.213 1.00 0.00 O ATOM 1113 CB LYS A 75 13.286 -3.604 3.545 1.00 0.00 C ATOM 1114 CG LYS A 75 14.168 -3.656 4.782 1.00 0.00 C ATOM 1115 CD LYS A 75 15.067 -4.881 4.777 1.00 0.00 C ATOM 1116 CE LYS A 75 14.760 -5.799 5.948 1.00 0.00 C ATOM 1117 NZ LYS A 75 14.745 -5.061 7.243 1.00 0.00 N ATOM 0 H LYS A 75 14.129 -1.251 4.044 1.00 0.00 H new ATOM 0 HA LYS A 75 14.461 -3.120 1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.272 -3.339 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.238 -4.598 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.780 -2.755 4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.543 -3.666 5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.937 -5.426 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.110 -4.569 4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.793 -6.277 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.505 -6.594 5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.135 -5.667 7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.322 -4.200 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.767 -4.800 7.483 1.00 0.00 H new ATOM 1131 N VAL A 76 12.737 -2.177 0.354 1.00 0.00 N ATOM 1132 CA VAL A 76 11.702 -1.718 -0.568 1.00 0.00 C ATOM 1133 C VAL A 76 10.966 -2.874 -1.157 1.00 0.00 C ATOM 1134 O VAL A 76 10.268 -2.737 -2.162 1.00 0.00 O ATOM 1135 CB VAL A 76 12.326 -0.926 -1.722 1.00 0.00 C ATOM 1136 CG1 VAL A 76 12.906 0.379 -1.200 1.00 0.00 C ATOM 1137 CG2 VAL A 76 13.409 -1.788 -2.342 1.00 0.00 C ATOM 0 H VAL A 76 13.563 -2.562 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 76 11.017 -1.088 0.000 1.00 0.00 H new ATOM 0 HB VAL A 76 11.575 -0.678 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.348 0.937 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.114 0.973 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.673 0.164 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.873 -1.250 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.164 -2.020 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.969 -2.714 -2.713 1.00 0.00 H new ATOM 1147 N GLU A 77 11.147 -4.010 -0.534 1.00 0.00 N ATOM 1148 CA GLU A 77 10.524 -5.235 -1.006 1.00 0.00 C ATOM 1149 C GLU A 77 10.289 -5.086 -2.496 1.00 0.00 C ATOM 1150 O GLU A 77 9.244 -5.456 -3.025 1.00 0.00 O ATOM 1151 CB GLU A 77 9.204 -5.481 -0.271 1.00 0.00 C ATOM 1152 CG GLU A 77 8.947 -4.507 0.865 1.00 0.00 C ATOM 1153 CD GLU A 77 9.543 -4.973 2.179 1.00 0.00 C ATOM 1154 OE1 GLU A 77 10.202 -6.034 2.189 1.00 0.00 O ATOM 1155 OE2 GLU A 77 9.349 -4.278 3.199 1.00 0.00 O ATOM 0 H GLU A 77 11.720 -4.120 0.303 1.00 0.00 H new ATOM 0 HA GLU A 77 11.170 -6.091 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.383 -5.417 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.203 -6.496 0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.364 -3.534 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.872 -4.371 0.986 1.00 0.00 H new ATOM 1162 N ASN A 78 11.283 -4.483 -3.144 1.00 0.00 N ATOM 1163 CA ASN A 78 11.236 -4.183 -4.564 1.00 0.00 C ATOM 1164 C ASN A 78 9.838 -4.466 -5.065 1.00 0.00 C ATOM 1165 O ASN A 78 9.613 -5.369 -5.869 1.00 0.00 O ATOM 1166 CB ASN A 78 12.244 -5.023 -5.319 1.00 0.00 C ATOM 1167 CG ASN A 78 12.607 -4.430 -6.657 1.00 0.00 C ATOM 1168 OD1 ASN A 78 13.768 -4.139 -6.936 1.00 0.00 O ATOM 1169 ND2 ASN A 78 11.607 -4.253 -7.499 1.00 0.00 N ATOM 0 H ASN A 78 12.148 -4.189 -2.691 1.00 0.00 H new ATOM 0 HA ASN A 78 11.486 -3.135 -4.727 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.146 -5.130 -4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.839 -6.024 -5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.782 -3.860 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.658 -4.509 -7.225 1.00 0.00 H new ATOM 1176 N HIS A 79 8.898 -3.727 -4.512 1.00 0.00 N ATOM 1177 CA HIS A 79 7.501 -3.924 -4.814 1.00 0.00 C ATOM 1178 C HIS A 79 7.220 -4.141 -6.276 1.00 0.00 C ATOM 1179 O HIS A 79 7.215 -3.218 -7.088 1.00 0.00 O ATOM 1180 CB HIS A 79 6.658 -2.783 -4.271 1.00 0.00 C ATOM 1181 CG HIS A 79 6.756 -2.726 -2.801 1.00 0.00 C ATOM 1182 ND1 HIS A 79 6.012 -1.911 -1.993 1.00 0.00 N ATOM 1183 CD2 HIS A 79 7.576 -3.422 -1.998 1.00 0.00 C ATOM 1184 CE1 HIS A 79 6.408 -2.124 -0.731 1.00 0.00 C ATOM 1185 NE2 HIS A 79 7.359 -3.040 -0.678 1.00 0.00 N ATOM 0 H HIS A 79 9.082 -2.978 -3.845 1.00 0.00 H new ATOM 0 HA HIS A 79 7.219 -4.849 -4.310 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.992 -1.839 -4.701 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.618 -2.918 -4.568 1.00 0.00 H new ATOM 0 HD1 HIS A 79 5.288 -1.260 -2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.291 -4.162 -2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.003 -1.614 0.130 1.00 0.00 H new ATOM 1193 N THR A 80 6.929 -5.380 -6.579 1.00 0.00 N ATOM 1194 CA THR A 80 6.572 -5.766 -7.929 1.00 0.00 C ATOM 1195 C THR A 80 5.089 -5.507 -8.121 1.00 0.00 C ATOM 1196 O THR A 80 4.609 -5.317 -9.239 1.00 0.00 O ATOM 1197 CB THR A 80 6.900 -7.234 -8.171 1.00 0.00 C ATOM 1198 OG1 THR A 80 5.800 -8.062 -7.834 1.00 0.00 O ATOM 1199 CG2 THR A 80 8.093 -7.696 -7.371 1.00 0.00 C ATOM 0 H THR A 80 6.931 -6.147 -5.907 1.00 0.00 H new ATOM 0 HA THR A 80 7.145 -5.181 -8.648 1.00 0.00 H new ATOM 0 HB THR A 80 7.130 -7.318 -9.233 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.861 -8.905 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 80 8.285 -8.749 -7.579 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.967 -7.106 -7.647 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.890 -7.568 -6.308 1.00 0.00 H new ATOM 1207 N ALA A 81 4.375 -5.483 -6.998 1.00 0.00 N ATOM 1208 CA ALA A 81 2.941 -5.229 -6.998 1.00 0.00 C ATOM 1209 C ALA A 81 2.463 -4.906 -5.586 1.00 0.00 C ATOM 1210 O ALA A 81 3.061 -5.353 -4.611 1.00 0.00 O ATOM 1211 CB ALA A 81 2.192 -6.428 -7.560 1.00 0.00 C ATOM 0 H ALA A 81 4.772 -5.638 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 81 2.736 -4.369 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.121 -6.224 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.520 -6.615 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.397 -7.305 -6.947 1.00 0.00 H new ATOM 1217 N CYS A 82 1.388 -4.128 -5.477 1.00 0.00 N ATOM 1218 CA CYS A 82 0.845 -3.759 -4.171 1.00 0.00 C ATOM 1219 C CYS A 82 -0.643 -4.090 -4.093 1.00 0.00 C ATOM 1220 O CYS A 82 -1.396 -3.838 -5.035 1.00 0.00 O ATOM 1221 CB CYS A 82 1.073 -2.271 -3.883 1.00 0.00 C ATOM 1222 SG CYS A 82 2.627 -1.921 -2.989 1.00 0.00 S ATOM 0 H CYS A 82 0.878 -3.743 -6.272 1.00 0.00 H new ATOM 0 HA CYS A 82 1.371 -4.340 -3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.077 -1.725 -4.826 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.235 -1.891 -3.298 1.00 0.00 H new ATOM 1227 N HIS A 83 -1.059 -4.666 -2.968 1.00 0.00 N ATOM 1228 CA HIS A 83 -2.457 -5.042 -2.774 1.00 0.00 C ATOM 1229 C HIS A 83 -2.981 -4.562 -1.423 1.00 0.00 C ATOM 1230 O HIS A 83 -2.477 -4.962 -0.375 1.00 0.00 O ATOM 1231 CB HIS A 83 -2.613 -6.560 -2.872 1.00 0.00 C ATOM 1232 CG HIS A 83 -2.038 -7.295 -1.701 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -2.744 -8.239 -0.985 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -0.819 -7.218 -1.116 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -1.986 -8.707 -0.009 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -0.812 -8.104 -0.068 1.00 0.00 N ATOM 0 H HIS A 83 -0.450 -4.882 -2.179 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.041 -4.562 -3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.672 -6.804 -2.960 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.129 -6.909 -3.784 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -3.702 -8.531 -1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.003 -6.578 -1.418 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.277 -9.455 0.714 1.00 0.00 H new ATOM 1245 N CYS A 84 -4.004 -3.712 -1.457 1.00 0.00 N ATOM 1246 CA CYS A 84 -4.608 -3.186 -0.237 1.00 0.00 C ATOM 1247 C CYS A 84 -5.508 -4.233 0.413 1.00 0.00 C ATOM 1248 O CYS A 84 -6.478 -4.692 -0.191 1.00 0.00 O ATOM 1249 CB CYS A 84 -5.423 -1.930 -0.549 1.00 0.00 C ATOM 1250 SG CYS A 84 -5.070 -0.518 0.547 1.00 0.00 S ATOM 0 H CYS A 84 -4.432 -3.373 -2.318 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.807 -2.931 0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.230 -1.632 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.483 -2.172 -0.480 1.00 0.00 H new ATOM 1255 N SER A 85 -5.184 -4.608 1.645 1.00 0.00 N ATOM 1256 CA SER A 85 -5.969 -5.601 2.370 1.00 0.00 C ATOM 1257 C SER A 85 -5.251 -6.045 3.638 1.00 0.00 C ATOM 1258 O SER A 85 -4.261 -5.439 4.048 1.00 0.00 O ATOM 1259 CB SER A 85 -6.244 -6.814 1.480 1.00 0.00 C ATOM 1260 OG SER A 85 -7.624 -7.137 1.470 1.00 0.00 O ATOM 0 H SER A 85 -4.385 -4.241 2.162 1.00 0.00 H new ATOM 0 HA SER A 85 -6.916 -5.140 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.908 -6.607 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.670 -7.669 1.837 1.00 0.00 H new ATOM 0 HG SER A 85 -7.774 -7.915 0.893 1.00 0.00 H new ATOM 1266 N THR A 86 -5.756 -7.108 4.255 1.00 0.00 N ATOM 1267 CA THR A 86 -5.163 -7.636 5.477 1.00 0.00 C ATOM 1268 C THR A 86 -3.656 -7.812 5.318 1.00 0.00 C ATOM 1269 O THR A 86 -3.197 -8.685 4.581 1.00 0.00 O ATOM 1270 CB THR A 86 -5.806 -8.975 5.842 1.00 0.00 C ATOM 1271 OG1 THR A 86 -7.150 -8.791 6.251 1.00 0.00 O ATOM 1272 CG2 THR A 86 -5.082 -9.704 6.954 1.00 0.00 C ATOM 0 H THR A 86 -6.575 -7.621 3.928 1.00 0.00 H new ATOM 0 HA THR A 86 -5.346 -6.920 6.279 1.00 0.00 H new ATOM 0 HB THR A 86 -5.748 -9.579 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.544 -9.659 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.590 -10.645 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.055 -9.906 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.079 -9.086 7.852 1.00 0.00 H new ATOM 1280 N CYS A 87 -2.892 -6.979 6.016 1.00 0.00 N ATOM 1281 CA CYS A 87 -1.437 -7.044 5.957 1.00 0.00 C ATOM 1282 C CYS A 87 -0.889 -7.871 7.122 1.00 0.00 C ATOM 1283 O CYS A 87 -1.492 -8.868 7.517 1.00 0.00 O ATOM 1284 CB CYS A 87 -0.847 -5.630 5.967 1.00 0.00 C ATOM 1285 SG CYS A 87 -1.640 -4.502 7.156 1.00 0.00 S ATOM 0 H CYS A 87 -3.257 -6.250 6.630 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.144 -7.534 5.029 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.217 -5.693 6.197 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -0.933 -5.205 4.967 1.00 0.00 H new ATOM 1290 N TYR A 88 0.255 -7.462 7.666 1.00 0.00 N ATOM 1291 CA TYR A 88 0.869 -8.181 8.777 1.00 0.00 C ATOM 1292 C TYR A 88 -0.145 -8.454 9.885 1.00 0.00 C ATOM 1293 O TYR A 88 -1.276 -7.971 9.841 1.00 0.00 O ATOM 1294 CB TYR A 88 2.057 -7.392 9.333 1.00 0.00 C ATOM 1295 CG TYR A 88 1.687 -6.033 9.884 1.00 0.00 C ATOM 1296 CD1 TYR A 88 0.938 -5.914 11.048 1.00 0.00 C ATOM 1297 CD2 TYR A 88 2.092 -4.870 9.243 1.00 0.00 C ATOM 1298 CE1 TYR A 88 0.600 -4.674 11.556 1.00 0.00 C ATOM 1299 CE2 TYR A 88 1.759 -3.627 9.744 1.00 0.00 C ATOM 1300 CZ TYR A 88 1.015 -3.534 10.901 1.00 0.00 C ATOM 1301 OH TYR A 88 0.684 -2.297 11.403 1.00 0.00 O ATOM 0 H TYR A 88 0.773 -6.640 7.356 1.00 0.00 H new ATOM 0 HA TYR A 88 1.226 -9.139 8.399 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.531 -7.976 10.122 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.797 -7.264 8.543 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.614 -6.806 11.565 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.677 -4.939 8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.014 -4.598 12.460 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.080 -2.732 9.232 1.00 0.00 H new ATOM 0 HH TYR A 88 1.054 -1.599 10.823 1.00 0.00 H new ATOM 1311 N TYR A 89 0.270 -9.238 10.876 1.00 0.00 N ATOM 1312 CA TYR A 89 -0.598 -9.585 11.996 1.00 0.00 C ATOM 1313 C TYR A 89 -1.748 -10.478 11.540 1.00 0.00 C ATOM 1314 O TYR A 89 -2.806 -9.990 11.145 1.00 0.00 O ATOM 1315 CB TYR A 89 -1.150 -8.321 12.657 1.00 0.00 C ATOM 1316 CG TYR A 89 -0.550 -8.036 14.016 1.00 0.00 C ATOM 1317 CD1 TYR A 89 -0.734 -8.916 15.076 1.00 0.00 C ATOM 1318 CD2 TYR A 89 0.201 -6.889 14.240 1.00 0.00 C ATOM 1319 CE1 TYR A 89 -0.188 -8.660 16.319 1.00 0.00 C ATOM 1320 CE2 TYR A 89 0.751 -6.626 15.481 1.00 0.00 C ATOM 1321 CZ TYR A 89 0.553 -7.515 16.516 1.00 0.00 C ATOM 1322 OH TYR A 89 1.098 -7.257 17.753 1.00 0.00 O ATOM 0 H TYR A 89 1.204 -9.645 10.926 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.002 -10.135 12.724 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.966 -7.469 12.002 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.231 -8.417 12.759 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -1.313 -9.815 14.925 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.358 -6.191 13.431 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.341 -9.354 17.132 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.332 -5.730 15.639 1.00 0.00 H new ATOM 0 HH TYR A 89 1.591 -6.411 17.723 1.00 0.00 H new ATOM 1332 N HIS A 90 -1.530 -11.788 11.597 1.00 0.00 N ATOM 1333 CA HIS A 90 -2.546 -12.753 11.190 1.00 0.00 C ATOM 1334 C HIS A 90 -1.998 -14.174 11.253 1.00 0.00 C ATOM 1335 O HIS A 90 -1.233 -14.593 10.385 1.00 0.00 O ATOM 1336 CB HIS A 90 -3.035 -12.448 9.773 1.00 0.00 C ATOM 1337 CG HIS A 90 -2.019 -12.746 8.714 1.00 0.00 C ATOM 1338 ND1 HIS A 90 -1.927 -13.966 8.079 1.00 0.00 N ATOM 1339 CD2 HIS A 90 -1.044 -11.972 8.180 1.00 0.00 C ATOM 1340 CE1 HIS A 90 -0.940 -13.930 7.202 1.00 0.00 C ATOM 1341 NE2 HIS A 90 -0.389 -12.731 7.243 1.00 0.00 N ATOM 0 H HIS A 90 -0.658 -12.206 11.921 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.385 -12.671 11.881 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.936 -13.029 9.575 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.314 -11.396 9.712 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.823 -10.948 8.443 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.635 -14.743 6.560 1.00 0.00 H new ATOM 0 HE2 HIS A 90 0.396 -12.419 6.671 1.00 0.00 H new ATOM 1350 N LYS A 91 -2.394 -14.911 12.285 1.00 0.00 N ATOM 1351 CA LYS A 91 -1.939 -16.286 12.457 1.00 0.00 C ATOM 1352 C LYS A 91 -2.237 -17.113 11.210 1.00 0.00 C ATOM 1353 O LYS A 91 -2.683 -16.582 10.193 1.00 0.00 O ATOM 1354 CB LYS A 91 -2.602 -16.918 13.684 1.00 0.00 C ATOM 1355 CG LYS A 91 -3.873 -17.690 13.366 1.00 0.00 C ATOM 1356 CD LYS A 91 -4.598 -18.115 14.634 1.00 0.00 C ATOM 1357 CE LYS A 91 -5.207 -16.923 15.355 1.00 0.00 C ATOM 1358 NZ LYS A 91 -5.082 -17.045 16.833 1.00 0.00 N ATOM 0 H LYS A 91 -3.027 -14.581 13.013 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.860 -16.272 12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.891 -17.590 14.164 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.835 -16.133 14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.533 -17.072 12.758 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.626 -18.571 12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.382 -18.829 14.384 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.901 -18.626 15.298 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.716 -16.008 15.023 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.260 -16.835 15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.509 -16.213 17.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.573 -17.904 17.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.077 -17.103 17.093 1.00 0.00 H new ATOM 1372 N SER A 92 -1.986 -18.415 11.295 1.00 0.00 N ATOM 1373 CA SER A 92 -2.227 -19.313 10.171 1.00 0.00 C ATOM 1374 C SER A 92 -3.708 -19.346 9.806 1.00 0.00 C ATOM 1375 O SER A 92 -4.087 -20.173 8.950 1.00 0.00 O ATOM 1376 CB SER A 92 -1.743 -20.726 10.505 1.00 0.00 C ATOM 1377 OG SER A 92 -1.199 -21.361 9.360 1.00 0.00 O ATOM 1378 OXT SER A 92 -4.476 -18.544 10.378 1.00 0.00 O ATOM 0 H SER A 92 -1.616 -18.872 12.129 1.00 0.00 H new ATOM 0 HA SER A 92 -1.668 -18.937 9.314 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.990 -20.680 11.292 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.573 -21.316 10.893 1.00 0.00 H new ATOM 0 HG SER A 92 -0.895 -22.262 9.599 1.00 0.00 H new TER 1384 SER A 92