USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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: C 18 SER OG : rot -99:sc= -0.262 USER MOD Set 1.2: C 25 SER OG : rot 180:sc= -1.43! USER MOD Single : C 9 THR OG1 : rot 25:sc= 0.17 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 119:sc= 0.373 USER MOD Single : C 20 THR OG1 : rot -92:sc= -0.765! USER MOD Single : C 22 THR OG1 : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -0.678 K(o=-0.68,f=-0.044) USER MOD Single : C 36 ASN : amide:sc= -0.342 K(o=-0.34,f=-3.6!) USER MOD Single : C 37 ASN : amide:sc= -11.5! C(o=-12!,f=-18!) USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : C 46 HIS : no HD1:sc= -6.07! C(o=-6.1!,f=-5.4!) USER MOD Single : C 47 SER OG : rot 180:sc= -2.1! USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 180:sc= 0 USER MOD Single : C 59 ASN : amide:sc= -0.0401 X(o=-0.04,f=-0.22) USER MOD Single : C 60 TYR OH : rot 3:sc= 0.513 USER MOD Single : C 64 SER OG : rot 180:sc= -0.133 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 13.870 28.022 -8.887 1.00 0.00 N ATOM 2 CA THR C 9 14.145 28.413 -7.476 1.00 0.00 C ATOM 3 C THR C 9 13.170 27.687 -6.547 1.00 0.00 C ATOM 4 O THR C 9 12.001 28.014 -6.480 1.00 0.00 O ATOM 5 CB THR C 9 13.966 29.926 -7.321 1.00 0.00 C ATOM 6 OG1 THR C 9 14.768 30.596 -8.282 1.00 0.00 O ATOM 7 CG2 THR C 9 14.389 30.350 -5.914 1.00 0.00 C ATOM 0 HA THR C 9 15.168 28.140 -7.216 1.00 0.00 H new ATOM 0 HB THR C 9 12.919 30.187 -7.476 1.00 0.00 H new ATOM 0 HG1 THR C 9 14.922 30.005 -9.049 1.00 0.00 H new ATOM 0 HG21 THR C 9 14.261 31.427 -5.805 1.00 0.00 H new ATOM 0 HG22 THR C 9 13.772 29.835 -5.178 1.00 0.00 H new ATOM 0 HG23 THR C 9 15.436 30.091 -5.755 1.00 0.00 H new ATOM 15 N PHE C 10 13.640 26.703 -5.829 1.00 0.00 N ATOM 16 CA PHE C 10 12.739 25.956 -4.906 1.00 0.00 C ATOM 17 C PHE C 10 13.197 26.167 -3.461 1.00 0.00 C ATOM 18 O PHE C 10 14.321 26.553 -3.205 1.00 0.00 O ATOM 19 CB PHE C 10 12.790 24.463 -5.240 1.00 0.00 C ATOM 20 CG PHE C 10 11.714 24.134 -6.275 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.535 24.943 -7.383 1.00 0.00 C ATOM 22 CD2 PHE C 10 10.908 23.021 -6.117 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.564 24.644 -8.317 1.00 0.00 C ATOM 24 CE2 PHE C 10 9.938 22.722 -7.052 1.00 0.00 C ATOM 25 CZ PHE C 10 9.766 23.534 -8.152 1.00 0.00 C ATOM 0 H PHE C 10 14.609 26.384 -5.842 1.00 0.00 H new ATOM 0 HA PHE C 10 11.719 26.322 -5.022 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.774 24.200 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.634 23.872 -4.337 1.00 0.00 H new ATOM 0 HD1 PHE C 10 12.159 25.814 -7.518 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.039 22.382 -5.256 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.430 25.281 -9.178 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.313 21.851 -6.921 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.007 23.300 -8.883 1.00 0.00 H new ATOM 35 N VAL C 11 12.335 25.917 -2.513 1.00 0.00 N ATOM 36 CA VAL C 11 12.721 26.104 -1.086 1.00 0.00 C ATOM 37 C VAL C 11 12.585 24.771 -0.346 1.00 0.00 C ATOM 38 O VAL C 11 11.611 24.061 -0.499 1.00 0.00 O ATOM 39 CB VAL C 11 11.803 27.144 -0.439 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.214 27.350 1.019 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.919 28.467 -1.196 1.00 0.00 C ATOM 0 H VAL C 11 11.380 25.591 -2.665 1.00 0.00 H new ATOM 0 HA VAL C 11 13.753 26.449 -1.030 1.00 0.00 H new ATOM 0 HB VAL C 11 10.772 26.794 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL C 11 11.561 28.091 1.480 1.00 0.00 H new ATOM 0 HG12 VAL C 11 12.130 26.406 1.558 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.245 27.700 1.060 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.265 29.208 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.950 28.819 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL C 11 11.624 28.319 -2.235 1.00 0.00 H new ATOM 51 N ALA C 12 13.554 24.427 0.459 1.00 0.00 N ATOM 52 CA ALA C 12 13.479 23.139 1.206 1.00 0.00 C ATOM 53 C ALA C 12 12.563 23.297 2.422 1.00 0.00 C ATOM 54 O ALA C 12 12.743 24.177 3.240 1.00 0.00 O ATOM 55 CB ALA C 12 14.880 22.740 1.670 1.00 0.00 C ATOM 0 H ALA C 12 14.393 24.981 0.631 1.00 0.00 H new ATOM 0 HA ALA C 12 13.076 22.366 0.552 1.00 0.00 H new ATOM 0 HB1 ALA C 12 14.828 21.798 2.217 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.530 22.621 0.803 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.282 23.516 2.321 1.00 0.00 H new ATOM 61 N LEU C 13 11.581 22.445 2.546 1.00 0.00 N ATOM 62 CA LEU C 13 10.651 22.537 3.705 1.00 0.00 C ATOM 63 C LEU C 13 10.980 21.438 4.718 1.00 0.00 C ATOM 64 O LEU C 13 10.495 21.446 5.831 1.00 0.00 O ATOM 65 CB LEU C 13 9.209 22.366 3.219 1.00 0.00 C ATOM 66 CG LEU C 13 8.992 23.208 1.959 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.849 22.607 1.140 1.00 0.00 C ATOM 68 CD2 LEU C 13 8.638 24.642 2.357 1.00 0.00 C ATOM 0 H LEU C 13 11.383 21.688 1.892 1.00 0.00 H new ATOM 0 HA LEU C 13 10.763 23.512 4.180 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.008 21.316 3.007 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.512 22.673 3.999 1.00 0.00 H new ATOM 0 HG LEU C 13 9.904 23.214 1.362 1.00 0.00 H new ATOM 0 HD11 LEU C 13 7.692 23.204 0.242 1.00 0.00 H new ATOM 0 HD12 LEU C 13 8.102 21.585 0.857 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.937 22.602 1.737 1.00 0.00 H new ATOM 0 HD21 LEU C 13 8.484 25.241 1.460 1.00 0.00 H new ATOM 0 HD22 LEU C 13 7.725 24.639 2.953 1.00 0.00 H new ATOM 0 HD23 LEU C 13 9.452 25.069 2.942 1.00 0.00 H new ATOM 80 N TYR C 14 11.801 20.490 4.346 1.00 0.00 N ATOM 81 CA TYR C 14 12.147 19.399 5.302 1.00 0.00 C ATOM 82 C TYR C 14 13.665 19.216 5.369 1.00 0.00 C ATOM 83 O TYR C 14 14.377 19.492 4.424 1.00 0.00 O ATOM 84 CB TYR C 14 11.483 18.103 4.845 1.00 0.00 C ATOM 85 CG TYR C 14 9.972 18.307 4.889 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.381 19.244 4.076 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.189 17.595 5.769 1.00 0.00 C ATOM 88 CE1 TYR C 14 8.026 19.477 4.139 1.00 0.00 C ATOM 89 CE2 TYR C 14 7.829 17.821 5.836 1.00 0.00 C ATOM 90 CZ TYR C 14 7.236 18.765 5.020 1.00 0.00 C ATOM 91 OH TYR C 14 5.876 18.992 5.081 1.00 0.00 O ATOM 0 H TYR C 14 12.243 20.425 3.429 1.00 0.00 H new ATOM 0 HA TYR C 14 11.787 19.662 6.297 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.804 17.846 3.835 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.775 17.276 5.492 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.987 19.804 3.379 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.642 16.854 6.412 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.578 20.220 3.496 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.225 17.256 6.531 1.00 0.00 H new ATOM 0 HH TYR C 14 5.476 18.403 5.754 1.00 0.00 H new ATOM 101 N ASP C 15 14.162 18.750 6.482 1.00 0.00 N ATOM 102 CA ASP C 15 15.632 18.546 6.617 1.00 0.00 C ATOM 103 C ASP C 15 16.039 17.237 5.939 1.00 0.00 C ATOM 104 O ASP C 15 15.957 16.173 6.521 1.00 0.00 O ATOM 105 CB ASP C 15 16.002 18.484 8.102 1.00 0.00 C ATOM 106 CG ASP C 15 15.436 19.710 8.821 1.00 0.00 C ATOM 107 OD1 ASP C 15 14.617 20.394 8.229 1.00 0.00 O ATOM 108 OD2 ASP C 15 15.832 19.944 9.951 1.00 0.00 O ATOM 0 H ASP C 15 13.613 18.501 7.305 1.00 0.00 H new ATOM 0 HA ASP C 15 16.155 19.376 6.141 1.00 0.00 H new ATOM 0 HB2 ASP C 15 15.606 17.572 8.549 1.00 0.00 H new ATOM 0 HB3 ASP C 15 17.085 18.450 8.217 1.00 0.00 H new ATOM 113 N TYR C 16 16.480 17.306 4.713 1.00 0.00 N ATOM 114 CA TYR C 16 16.893 16.066 4.000 1.00 0.00 C ATOM 115 C TYR C 16 18.327 15.712 4.397 1.00 0.00 C ATOM 116 O TYR C 16 19.254 16.450 4.127 1.00 0.00 O ATOM 117 CB TYR C 16 16.826 16.298 2.490 1.00 0.00 C ATOM 118 CG TYR C 16 17.461 15.110 1.763 1.00 0.00 C ATOM 119 CD1 TYR C 16 17.408 13.844 2.310 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.089 15.287 0.548 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.973 12.771 1.650 1.00 0.00 C ATOM 122 CE2 TYR C 16 18.652 14.214 -0.114 1.00 0.00 C ATOM 123 CZ TYR C 16 18.599 12.948 0.433 1.00 0.00 C ATOM 124 OH TYR C 16 19.161 11.875 -0.228 1.00 0.00 O ATOM 0 H TYR C 16 16.572 18.168 4.175 1.00 0.00 H new ATOM 0 HA TYR C 16 16.224 15.249 4.270 1.00 0.00 H new ATOM 0 HB2 TYR C 16 15.789 16.419 2.175 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.348 17.219 2.229 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.921 13.691 3.262 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.141 16.273 0.111 1.00 0.00 H new ATOM 0 HE1 TYR C 16 17.925 11.786 2.090 1.00 0.00 H new ATOM 0 HE2 TYR C 16 19.137 14.367 -1.067 1.00 0.00 H new ATOM 0 HH TYR C 16 18.720 11.758 -1.095 1.00 0.00 H new ATOM 134 N GLU C 17 18.519 14.590 5.034 1.00 0.00 N ATOM 135 CA GLU C 17 19.896 14.197 5.445 1.00 0.00 C ATOM 136 C GLU C 17 20.469 13.206 4.430 1.00 0.00 C ATOM 137 O GLU C 17 20.325 12.007 4.566 1.00 0.00 O ATOM 138 CB GLU C 17 19.851 13.545 6.827 1.00 0.00 C ATOM 139 CG GLU C 17 20.754 14.326 7.785 1.00 0.00 C ATOM 140 CD GLU C 17 20.248 14.156 9.219 1.00 0.00 C ATOM 141 OE1 GLU C 17 19.939 13.035 9.588 1.00 0.00 O ATOM 142 OE2 GLU C 17 20.180 15.148 9.925 1.00 0.00 O ATOM 0 H GLU C 17 17.784 13.930 5.287 1.00 0.00 H new ATOM 0 HA GLU C 17 20.529 15.083 5.484 1.00 0.00 H new ATOM 0 HB2 GLU C 17 18.828 13.532 7.203 1.00 0.00 H new ATOM 0 HB3 GLU C 17 20.180 12.508 6.763 1.00 0.00 H new ATOM 0 HG2 GLU C 17 21.781 13.969 7.706 1.00 0.00 H new ATOM 0 HG3 GLU C 17 20.762 15.382 7.514 1.00 0.00 H new ATOM 149 N SER C 18 21.118 13.700 3.413 1.00 0.00 N ATOM 150 CA SER C 18 21.702 12.793 2.386 1.00 0.00 C ATOM 151 C SER C 18 22.673 11.821 3.058 1.00 0.00 C ATOM 152 O SER C 18 22.761 11.750 4.268 1.00 0.00 O ATOM 153 CB SER C 18 22.447 13.630 1.341 1.00 0.00 C ATOM 154 OG SER C 18 23.847 13.440 1.482 1.00 0.00 O ATOM 0 H SER C 18 21.270 14.695 3.248 1.00 0.00 H new ATOM 0 HA SER C 18 20.908 12.227 1.899 1.00 0.00 H new ATOM 0 HB2 SER C 18 22.131 13.342 0.338 1.00 0.00 H new ATOM 0 HB3 SER C 18 22.200 14.685 1.463 1.00 0.00 H new ATOM 0 HG SER C 18 24.228 14.183 1.994 1.00 0.00 H new ATOM 160 N ARG C 19 23.407 11.071 2.281 1.00 0.00 N ATOM 161 CA ARG C 19 24.372 10.104 2.873 1.00 0.00 C ATOM 162 C ARG C 19 25.724 10.229 2.167 1.00 0.00 C ATOM 163 O ARG C 19 26.767 10.095 2.775 1.00 0.00 O ATOM 164 CB ARG C 19 23.837 8.681 2.701 1.00 0.00 C ATOM 165 CG ARG C 19 22.310 8.695 2.795 1.00 0.00 C ATOM 166 CD ARG C 19 21.801 7.277 3.062 1.00 0.00 C ATOM 167 NE ARG C 19 22.643 6.299 2.315 1.00 0.00 N ATOM 168 CZ ARG C 19 22.468 6.129 1.032 1.00 0.00 C ATOM 169 NH1 ARG C 19 21.554 6.814 0.397 1.00 0.00 N ATOM 170 NH2 ARG C 19 23.208 5.273 0.381 1.00 0.00 N ATOM 0 H ARG C 19 23.379 11.087 1.262 1.00 0.00 H new ATOM 0 HA ARG C 19 24.497 10.321 3.934 1.00 0.00 H new ATOM 0 HB2 ARG C 19 24.149 8.278 1.738 1.00 0.00 H new ATOM 0 HB3 ARG C 19 24.253 8.029 3.469 1.00 0.00 H new ATOM 0 HG2 ARG C 19 21.991 9.364 3.594 1.00 0.00 H new ATOM 0 HG3 ARG C 19 21.882 9.078 1.869 1.00 0.00 H new ATOM 0 HD2 ARG C 19 21.835 7.062 4.130 1.00 0.00 H new ATOM 0 HD3 ARG C 19 20.760 7.188 2.752 1.00 0.00 H new ATOM 0 HE ARG C 19 23.357 5.762 2.807 1.00 0.00 H new ATOM 0 HH11 ARG C 19 20.975 7.484 0.903 1.00 0.00 H new ATOM 0 HH12 ARG C 19 21.420 6.679 -0.605 1.00 0.00 H new ATOM 0 HH21 ARG C 19 23.922 4.737 0.874 1.00 0.00 H new ATOM 0 HH22 ARG C 19 23.072 5.140 -0.621 1.00 0.00 H new ATOM 184 N THR C 20 25.715 10.485 0.888 1.00 0.00 N ATOM 185 CA THR C 20 27.001 10.619 0.145 1.00 0.00 C ATOM 186 C THR C 20 26.977 11.896 -0.696 1.00 0.00 C ATOM 187 O THR C 20 25.996 12.612 -0.730 1.00 0.00 O ATOM 188 CB THR C 20 27.186 9.409 -0.774 1.00 0.00 C ATOM 189 OG1 THR C 20 28.449 9.498 -1.420 1.00 0.00 O ATOM 190 CG2 THR C 20 26.075 9.387 -1.823 1.00 0.00 C ATOM 0 H THR C 20 24.873 10.607 0.325 1.00 0.00 H new ATOM 0 HA THR C 20 27.826 10.668 0.856 1.00 0.00 H new ATOM 0 HB THR C 20 27.142 8.494 -0.184 1.00 0.00 H new ATOM 0 HG1 THR C 20 28.347 9.964 -2.276 1.00 0.00 H new ATOM 0 HG21 THR C 20 26.209 8.525 -2.476 1.00 0.00 H new ATOM 0 HG22 THR C 20 25.107 9.320 -1.326 1.00 0.00 H new ATOM 0 HG23 THR C 20 26.116 10.301 -2.416 1.00 0.00 H new ATOM 198 N GLU C 21 28.053 12.189 -1.375 1.00 0.00 N ATOM 199 CA GLU C 21 28.101 13.415 -2.213 1.00 0.00 C ATOM 200 C GLU C 21 27.054 13.316 -3.326 1.00 0.00 C ATOM 201 O GLU C 21 26.613 14.311 -3.864 1.00 0.00 O ATOM 202 CB GLU C 21 29.494 13.545 -2.825 1.00 0.00 C ATOM 203 CG GLU C 21 29.748 12.376 -3.778 1.00 0.00 C ATOM 204 CD GLU C 21 30.557 11.295 -3.056 1.00 0.00 C ATOM 205 OE1 GLU C 21 31.642 11.604 -2.594 1.00 0.00 O ATOM 206 OE2 GLU C 21 30.074 10.176 -2.977 1.00 0.00 O ATOM 0 H GLU C 21 28.904 11.627 -1.383 1.00 0.00 H new ATOM 0 HA GLU C 21 27.888 14.290 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU C 21 29.579 14.490 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU C 21 30.248 13.556 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU C 21 28.801 11.964 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU C 21 30.288 12.722 -4.659 1.00 0.00 H new ATOM 213 N THR C 22 26.656 12.123 -3.674 1.00 0.00 N ATOM 214 CA THR C 22 25.639 11.963 -4.752 1.00 0.00 C ATOM 215 C THR C 22 24.468 12.910 -4.486 1.00 0.00 C ATOM 216 O THR C 22 24.200 13.813 -5.254 1.00 0.00 O ATOM 217 CB THR C 22 25.131 10.519 -4.764 1.00 0.00 C ATOM 218 OG1 THR C 22 26.226 9.635 -4.957 1.00 0.00 O ATOM 219 CG2 THR C 22 24.121 10.341 -5.899 1.00 0.00 C ATOM 0 H THR C 22 26.990 11.253 -3.259 1.00 0.00 H new ATOM 0 HA THR C 22 26.089 12.198 -5.716 1.00 0.00 H new ATOM 0 HB THR C 22 24.647 10.295 -3.813 1.00 0.00 H new ATOM 0 HG1 THR C 22 25.902 8.710 -4.963 1.00 0.00 H new ATOM 0 HG21 THR C 22 23.760 9.313 -5.907 1.00 0.00 H new ATOM 0 HG22 THR C 22 23.281 11.019 -5.748 1.00 0.00 H new ATOM 0 HG23 THR C 22 24.601 10.564 -6.852 1.00 0.00 H new ATOM 227 N ASP C 23 23.770 12.713 -3.402 1.00 0.00 N ATOM 228 CA ASP C 23 22.617 13.600 -3.086 1.00 0.00 C ATOM 229 C ASP C 23 23.085 14.738 -2.175 1.00 0.00 C ATOM 230 O ASP C 23 23.851 14.534 -1.254 1.00 0.00 O ATOM 231 CB ASP C 23 21.528 12.790 -2.380 1.00 0.00 C ATOM 232 CG ASP C 23 21.432 11.402 -3.016 1.00 0.00 C ATOM 233 OD1 ASP C 23 21.067 11.329 -4.178 1.00 0.00 O ATOM 234 OD2 ASP C 23 21.723 10.437 -2.331 1.00 0.00 O ATOM 0 H ASP C 23 23.949 11.975 -2.721 1.00 0.00 H new ATOM 0 HA ASP C 23 22.214 14.018 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.757 12.700 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.570 13.304 -2.457 1.00 0.00 H new ATOM 239 N LEU C 24 22.632 15.937 -2.425 1.00 0.00 N ATOM 240 CA LEU C 24 23.051 17.086 -1.573 1.00 0.00 C ATOM 241 C LEU C 24 22.073 17.247 -0.407 1.00 0.00 C ATOM 242 O LEU C 24 20.885 17.405 -0.597 1.00 0.00 O ATOM 243 CB LEU C 24 23.055 18.365 -2.413 1.00 0.00 C ATOM 244 CG LEU C 24 24.452 18.584 -2.997 1.00 0.00 C ATOM 245 CD1 LEU C 24 24.446 19.829 -3.885 1.00 0.00 C ATOM 246 CD2 LEU C 24 25.457 18.775 -1.859 1.00 0.00 C ATOM 0 H LEU C 24 21.990 16.170 -3.182 1.00 0.00 H new ATOM 0 HA LEU C 24 24.051 16.900 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU C 24 22.321 18.289 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU C 24 22.768 19.218 -1.798 1.00 0.00 H new ATOM 0 HG LEU C 24 24.736 17.716 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU C 24 25.442 19.984 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU C 24 23.731 19.694 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU C 24 24.161 20.698 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU C 24 26.452 18.931 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU C 24 25.172 19.643 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU C 24 25.463 17.887 -1.226 1.00 0.00 H new ATOM 258 N SER C 25 22.567 17.206 0.800 1.00 0.00 N ATOM 259 CA SER C 25 21.672 17.356 1.978 1.00 0.00 C ATOM 260 C SER C 25 21.328 18.833 2.175 1.00 0.00 C ATOM 261 O SER C 25 22.112 19.709 1.871 1.00 0.00 O ATOM 262 CB SER C 25 22.388 16.832 3.223 1.00 0.00 C ATOM 263 OG SER C 25 23.354 15.863 2.842 1.00 0.00 O ATOM 0 H SER C 25 23.554 17.075 1.020 1.00 0.00 H new ATOM 0 HA SER C 25 20.755 16.790 1.814 1.00 0.00 H new ATOM 0 HB2 SER C 25 22.871 17.654 3.751 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.667 16.391 3.911 1.00 0.00 H new ATOM 0 HG SER C 25 23.814 15.528 3.640 1.00 0.00 H new ATOM 269 N PHE C 26 20.158 19.115 2.680 1.00 0.00 N ATOM 270 CA PHE C 26 19.763 20.535 2.897 1.00 0.00 C ATOM 271 C PHE C 26 18.752 20.606 4.044 1.00 0.00 C ATOM 272 O PHE C 26 17.993 19.685 4.271 1.00 0.00 O ATOM 273 CB PHE C 26 19.136 21.098 1.620 1.00 0.00 C ATOM 274 CG PHE C 26 18.015 20.174 1.140 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.743 20.300 1.660 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.256 19.216 0.170 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.722 19.483 1.219 1.00 0.00 C ATOM 278 CE2 PHE C 26 17.235 18.399 -0.273 1.00 0.00 C ATOM 279 CZ PHE C 26 15.968 18.533 0.252 1.00 0.00 C ATOM 0 H PHE C 26 19.459 18.423 2.951 1.00 0.00 H new ATOM 0 HA PHE C 26 20.644 21.125 3.150 1.00 0.00 H new ATOM 0 HB2 PHE C 26 18.741 22.096 1.808 1.00 0.00 H new ATOM 0 HB3 PHE C 26 19.895 21.196 0.844 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.545 21.044 2.418 1.00 0.00 H new ATOM 0 HD2 PHE C 26 19.248 19.107 -0.242 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.730 19.588 1.632 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.429 17.655 -1.031 1.00 0.00 H new ATOM 0 HZ PHE C 26 15.169 17.894 -0.094 1.00 0.00 H new ATOM 289 N LYS C 27 18.735 21.690 4.770 1.00 0.00 N ATOM 290 CA LYS C 27 17.768 21.812 5.901 1.00 0.00 C ATOM 291 C LYS C 27 16.707 22.858 5.556 1.00 0.00 C ATOM 292 O LYS C 27 16.924 23.732 4.740 1.00 0.00 O ATOM 293 CB LYS C 27 18.497 22.239 7.186 1.00 0.00 C ATOM 294 CG LYS C 27 20.014 22.226 6.975 1.00 0.00 C ATOM 295 CD LYS C 27 20.711 22.687 8.256 1.00 0.00 C ATOM 296 CE LYS C 27 21.406 24.027 8.005 1.00 0.00 C ATOM 297 NZ LYS C 27 22.709 24.055 8.727 1.00 0.00 N ATOM 0 H LYS C 27 19.346 22.495 4.631 1.00 0.00 H new ATOM 0 HA LYS C 27 17.297 20.843 6.064 1.00 0.00 H new ATOM 0 HB2 LYS C 27 18.174 23.238 7.479 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.232 21.566 8.002 1.00 0.00 H new ATOM 0 HG2 LYS C 27 20.346 21.223 6.708 1.00 0.00 H new ATOM 0 HG3 LYS C 27 20.282 22.881 6.146 1.00 0.00 H new ATOM 0 HD2 LYS C 27 19.984 22.788 9.062 1.00 0.00 H new ATOM 0 HD3 LYS C 27 21.439 21.941 8.575 1.00 0.00 H new ATOM 0 HE2 LYS C 27 21.567 24.170 6.937 1.00 0.00 H new ATOM 0 HE3 LYS C 27 20.772 24.846 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 23.181 24.966 8.556 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 22.543 23.937 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 23.313 23.282 8.383 1.00 0.00 H new ATOM 311 N LYS C 28 15.560 22.775 6.173 1.00 0.00 N ATOM 312 CA LYS C 28 14.484 23.763 5.882 1.00 0.00 C ATOM 313 C LYS C 28 15.054 25.179 5.989 1.00 0.00 C ATOM 314 O LYS C 28 15.879 25.464 6.835 1.00 0.00 O ATOM 315 CB LYS C 28 13.346 23.585 6.892 1.00 0.00 C ATOM 316 CG LYS C 28 12.413 24.798 6.837 1.00 0.00 C ATOM 317 CD LYS C 28 11.335 24.658 7.914 1.00 0.00 C ATOM 318 CE LYS C 28 11.419 25.844 8.878 1.00 0.00 C ATOM 319 NZ LYS C 28 10.571 25.574 10.073 1.00 0.00 N ATOM 0 H LYS C 28 15.322 22.065 6.866 1.00 0.00 H new ATOM 0 HA LYS C 28 14.100 23.604 4.874 1.00 0.00 H new ATOM 0 HB2 LYS C 28 12.789 22.675 6.670 1.00 0.00 H new ATOM 0 HB3 LYS C 28 13.753 23.472 7.897 1.00 0.00 H new ATOM 0 HG2 LYS C 28 12.981 25.715 6.992 1.00 0.00 H new ATOM 0 HG3 LYS C 28 11.952 24.872 5.852 1.00 0.00 H new ATOM 0 HD2 LYS C 28 10.348 24.620 7.453 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.469 23.723 8.458 1.00 0.00 H new ATOM 0 HE2 LYS C 28 12.453 26.007 9.182 1.00 0.00 H new ATOM 0 HE3 LYS C 28 11.086 26.755 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 10.628 26.380 10.728 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 9.584 25.439 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 10.909 24.714 10.551 1.00 0.00 H new ATOM 333 N GLY C 29 14.620 26.069 5.140 1.00 0.00 N ATOM 334 CA GLY C 29 15.137 27.465 5.193 1.00 0.00 C ATOM 335 C GLY C 29 16.176 27.658 4.089 1.00 0.00 C ATOM 336 O GLY C 29 16.360 28.745 3.577 1.00 0.00 O ATOM 0 H GLY C 29 13.929 25.890 4.411 1.00 0.00 H new ATOM 0 HA2 GLY C 29 14.319 28.174 5.067 1.00 0.00 H new ATOM 0 HA3 GLY C 29 15.583 27.664 6.168 1.00 0.00 H new ATOM 340 N GLU C 30 16.859 26.610 3.716 1.00 0.00 N ATOM 341 CA GLU C 30 17.886 26.731 2.645 1.00 0.00 C ATOM 342 C GLU C 30 17.201 26.693 1.278 1.00 0.00 C ATOM 343 O GLU C 30 16.093 26.213 1.142 1.00 0.00 O ATOM 344 CB GLU C 30 18.874 25.568 2.752 1.00 0.00 C ATOM 345 CG GLU C 30 20.136 25.896 1.954 1.00 0.00 C ATOM 346 CD GLU C 30 20.229 24.963 0.743 1.00 0.00 C ATOM 347 OE1 GLU C 30 19.253 24.288 0.465 1.00 0.00 O ATOM 348 OE2 GLU C 30 21.274 24.943 0.116 1.00 0.00 O ATOM 0 H GLU C 30 16.749 25.675 4.108 1.00 0.00 H new ATOM 0 HA GLU C 30 18.421 27.674 2.759 1.00 0.00 H new ATOM 0 HB2 GLU C 30 19.128 25.388 3.797 1.00 0.00 H new ATOM 0 HB3 GLU C 30 18.418 24.654 2.372 1.00 0.00 H new ATOM 0 HG2 GLU C 30 20.112 26.935 1.625 1.00 0.00 H new ATOM 0 HG3 GLU C 30 21.018 25.781 2.584 1.00 0.00 H new ATOM 355 N ARG C 31 17.851 27.191 0.263 1.00 0.00 N ATOM 356 CA ARG C 31 17.233 27.181 -1.092 1.00 0.00 C ATOM 357 C ARG C 31 18.095 26.349 -2.044 1.00 0.00 C ATOM 358 O ARG C 31 19.274 26.156 -1.822 1.00 0.00 O ATOM 359 CB ARG C 31 17.134 28.616 -1.613 1.00 0.00 C ATOM 360 CG ARG C 31 16.492 29.502 -0.544 1.00 0.00 C ATOM 361 CD ARG C 31 17.425 30.671 -0.224 1.00 0.00 C ATOM 362 NE ARG C 31 18.243 30.338 0.977 1.00 0.00 N ATOM 363 CZ ARG C 31 17.726 30.442 2.173 1.00 0.00 C ATOM 364 NH1 ARG C 31 16.490 30.835 2.324 1.00 0.00 N ATOM 365 NH2 ARG C 31 18.449 30.149 3.219 1.00 0.00 N ATOM 0 H ARG C 31 18.782 27.604 0.313 1.00 0.00 H new ATOM 0 HA ARG C 31 16.236 26.744 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.125 28.992 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.541 28.643 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.530 29.876 -0.896 1.00 0.00 H new ATOM 0 HG3 ARG C 31 16.298 28.920 0.357 1.00 0.00 H new ATOM 0 HD2 ARG C 31 18.075 30.875 -1.075 1.00 0.00 H new ATOM 0 HD3 ARG C 31 16.844 31.575 -0.042 1.00 0.00 H new ATOM 0 HE ARG C 31 19.208 30.028 0.865 1.00 0.00 H new ATOM 0 HH11 ARG C 31 15.924 31.062 1.507 1.00 0.00 H new ATOM 0 HH12 ARG C 31 16.091 30.915 3.259 1.00 0.00 H new ATOM 0 HH21 ARG C 31 19.414 29.840 3.102 1.00 0.00 H new ATOM 0 HH22 ARG C 31 18.049 30.229 4.154 1.00 0.00 H new ATOM 379 N LEU C 32 17.514 25.852 -3.102 1.00 0.00 N ATOM 380 CA LEU C 32 18.298 25.031 -4.069 1.00 0.00 C ATOM 381 C LEU C 32 17.871 25.385 -5.495 1.00 0.00 C ATOM 382 O LEU C 32 16.794 25.903 -5.718 1.00 0.00 O ATOM 383 CB LEU C 32 18.037 23.546 -3.811 1.00 0.00 C ATOM 384 CG LEU C 32 18.448 23.195 -2.379 1.00 0.00 C ATOM 385 CD1 LEU C 32 17.255 22.587 -1.640 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.596 22.183 -2.412 1.00 0.00 C ATOM 0 H LEU C 32 16.530 25.979 -3.339 1.00 0.00 H new ATOM 0 HA LEU C 32 19.361 25.237 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU C 32 16.982 23.320 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU C 32 18.599 22.939 -4.521 1.00 0.00 H new ATOM 0 HG LEU C 32 18.773 24.098 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU C 32 17.548 22.337 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU C 32 16.436 23.306 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU C 32 16.929 21.684 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU C 32 19.889 21.932 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU C 32 19.270 21.280 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.447 22.615 -2.939 1.00 0.00 H new ATOM 398 N GLN C 33 18.701 25.108 -6.465 1.00 0.00 N ATOM 399 CA GLN C 33 18.334 25.433 -7.873 1.00 0.00 C ATOM 400 C GLN C 33 17.859 24.167 -8.589 1.00 0.00 C ATOM 401 O GLN C 33 18.623 23.495 -9.252 1.00 0.00 O ATOM 402 CB GLN C 33 19.553 26.004 -8.599 1.00 0.00 C ATOM 403 CG GLN C 33 19.184 26.315 -10.052 1.00 0.00 C ATOM 404 CD GLN C 33 18.977 27.823 -10.214 1.00 0.00 C ATOM 405 OE1 GLN C 33 19.239 28.374 -11.264 1.00 0.00 O ATOM 406 NE2 GLN C 33 18.512 28.517 -9.211 1.00 0.00 N ATOM 0 H GLN C 33 19.615 24.672 -6.343 1.00 0.00 H new ATOM 0 HA GLN C 33 17.531 26.170 -7.875 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.896 26.909 -8.098 1.00 0.00 H new ATOM 0 HB3 GLN C 33 20.376 25.290 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN C 33 19.973 25.972 -10.720 1.00 0.00 H new ATOM 0 HG3 GLN C 33 18.276 25.780 -10.330 1.00 0.00 H new ATOM 0 HE21 GLN C 33 18.292 28.054 -8.329 1.00 0.00 H new ATOM 0 HE22 GLN C 33 18.369 29.522 -9.309 1.00 0.00 H new ATOM 415 N ILE C 34 16.600 23.839 -8.463 1.00 0.00 N ATOM 416 CA ILE C 34 16.070 22.617 -9.135 1.00 0.00 C ATOM 417 C ILE C 34 16.656 22.519 -10.547 1.00 0.00 C ATOM 418 O ILE C 34 16.926 23.515 -11.186 1.00 0.00 O ATOM 419 CB ILE C 34 14.546 22.710 -9.211 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.974 22.869 -7.802 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.987 21.435 -9.841 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.521 21.761 -6.901 1.00 0.00 C ATOM 0 H ILE C 34 15.915 24.366 -7.922 1.00 0.00 H new ATOM 0 HA ILE C 34 16.352 21.730 -8.568 1.00 0.00 H new ATOM 0 HB ILE C 34 14.267 23.570 -9.819 1.00 0.00 H new ATOM 0 HG12 ILE C 34 14.241 23.846 -7.398 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.885 22.823 -7.833 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.900 21.502 -9.895 1.00 0.00 H new ATOM 0 HG22 ILE C 34 14.394 21.317 -10.845 1.00 0.00 H new ATOM 0 HG23 ILE C 34 14.268 20.575 -9.233 1.00 0.00 H new ATOM 0 HD11 ILE C 34 14.113 21.874 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE C 34 14.232 20.790 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.608 21.828 -6.861 1.00 0.00 H new ATOM 434 N VAL C 35 16.855 21.325 -11.039 1.00 0.00 N ATOM 435 CA VAL C 35 17.426 21.174 -12.409 1.00 0.00 C ATOM 436 C VAL C 35 16.339 20.764 -13.407 1.00 0.00 C ATOM 437 O VAL C 35 16.020 21.494 -14.325 1.00 0.00 O ATOM 438 CB VAL C 35 18.522 20.106 -12.390 1.00 0.00 C ATOM 439 CG1 VAL C 35 19.014 19.856 -13.818 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.691 20.586 -11.526 1.00 0.00 C ATOM 0 H VAL C 35 16.648 20.452 -10.554 1.00 0.00 H new ATOM 0 HA VAL C 35 17.843 22.132 -12.718 1.00 0.00 H new ATOM 0 HB VAL C 35 18.120 19.182 -11.975 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.795 19.095 -13.806 1.00 0.00 H new ATOM 0 HG12 VAL C 35 18.183 19.513 -14.434 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.415 20.781 -14.232 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.471 19.824 -11.513 1.00 0.00 H new ATOM 0 HG22 VAL C 35 20.093 21.511 -11.940 1.00 0.00 H new ATOM 0 HG23 VAL C 35 19.342 20.765 -10.509 1.00 0.00 H new ATOM 450 N ASN C 36 15.768 19.604 -13.240 1.00 0.00 N ATOM 451 CA ASN C 36 14.702 19.157 -14.188 1.00 0.00 C ATOM 452 C ASN C 36 13.355 19.029 -13.471 1.00 0.00 C ATOM 453 O ASN C 36 12.320 19.283 -14.047 1.00 0.00 O ATOM 454 CB ASN C 36 15.089 17.801 -14.783 1.00 0.00 C ATOM 455 CG ASN C 36 14.699 17.765 -16.263 1.00 0.00 C ATOM 456 OD1 ASN C 36 14.348 18.778 -16.835 1.00 0.00 O ATOM 457 ND2 ASN C 36 14.748 16.634 -16.911 1.00 0.00 N ATOM 0 H ASN C 36 15.990 18.947 -12.492 1.00 0.00 H new ATOM 0 HA ASN C 36 14.606 19.901 -14.979 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.161 17.636 -14.674 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.587 16.998 -14.244 1.00 0.00 H new ATOM 0 HD21 ASN C 36 14.492 16.600 -17.898 1.00 0.00 H new ATOM 0 HD22 ASN C 36 15.043 15.784 -16.431 1.00 0.00 H new ATOM 464 N ASN C 37 13.362 18.651 -12.220 1.00 0.00 N ATOM 465 CA ASN C 37 12.083 18.501 -11.447 1.00 0.00 C ATOM 466 C ASN C 37 11.046 17.698 -12.245 1.00 0.00 C ATOM 467 O ASN C 37 10.930 16.505 -12.073 1.00 0.00 O ATOM 468 CB ASN C 37 11.492 19.874 -11.086 1.00 0.00 C ATOM 469 CG ASN C 37 11.870 20.924 -12.134 1.00 0.00 C ATOM 470 OD1 ASN C 37 13.027 21.269 -12.275 1.00 0.00 O ATOM 471 ND2 ASN C 37 10.937 21.452 -12.876 1.00 0.00 N ATOM 0 H ASN C 37 14.207 18.436 -11.690 1.00 0.00 H new ATOM 0 HA ASN C 37 12.322 17.962 -10.530 1.00 0.00 H new ATOM 0 HB2 ASN C 37 10.407 19.800 -11.015 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.855 20.185 -10.106 1.00 0.00 H new ATOM 0 HD21 ASN C 37 11.178 22.155 -13.575 1.00 0.00 H new ATOM 0 HD22 ASN C 37 9.966 21.162 -12.758 1.00 0.00 H new ATOM 478 N THR C 38 10.299 18.370 -13.094 1.00 0.00 N ATOM 479 CA THR C 38 9.236 17.736 -13.950 1.00 0.00 C ATOM 480 C THR C 38 8.918 16.306 -13.523 1.00 0.00 C ATOM 481 O THR C 38 7.873 16.028 -12.969 1.00 0.00 O ATOM 482 CB THR C 38 9.691 17.735 -15.413 1.00 0.00 C ATOM 483 OG1 THR C 38 9.020 16.698 -16.114 1.00 0.00 O ATOM 484 CG2 THR C 38 11.201 17.507 -15.490 1.00 0.00 C ATOM 0 H THR C 38 10.387 19.376 -13.234 1.00 0.00 H new ATOM 0 HA THR C 38 8.328 18.326 -13.829 1.00 0.00 H new ATOM 0 HB THR C 38 9.452 18.698 -15.864 1.00 0.00 H new ATOM 0 HG1 THR C 38 9.308 16.697 -17.051 1.00 0.00 H new ATOM 0 HG21 THR C 38 11.516 17.508 -16.533 1.00 0.00 H new ATOM 0 HG22 THR C 38 11.717 18.304 -14.954 1.00 0.00 H new ATOM 0 HG23 THR C 38 11.448 16.547 -15.037 1.00 0.00 H new ATOM 492 N GLU C 39 9.808 15.403 -13.779 1.00 0.00 N ATOM 493 CA GLU C 39 9.560 13.983 -13.393 1.00 0.00 C ATOM 494 C GLU C 39 10.694 13.469 -12.504 1.00 0.00 C ATOM 495 O GLU C 39 11.522 14.222 -12.033 1.00 0.00 O ATOM 496 CB GLU C 39 9.474 13.121 -14.652 1.00 0.00 C ATOM 497 CG GLU C 39 8.013 12.747 -14.913 1.00 0.00 C ATOM 498 CD GLU C 39 7.596 11.630 -13.954 1.00 0.00 C ATOM 499 OE1 GLU C 39 8.023 10.507 -14.162 1.00 0.00 O ATOM 500 OE2 GLU C 39 6.855 11.918 -13.028 1.00 0.00 O ATOM 0 H GLU C 39 10.701 15.579 -14.240 1.00 0.00 H new ATOM 0 HA GLU C 39 8.622 13.926 -12.841 1.00 0.00 H new ATOM 0 HB2 GLU C 39 9.880 13.663 -15.506 1.00 0.00 H new ATOM 0 HB3 GLU C 39 10.076 12.220 -14.531 1.00 0.00 H new ATOM 0 HG2 GLU C 39 7.373 13.618 -14.775 1.00 0.00 H new ATOM 0 HG3 GLU C 39 7.888 12.421 -15.945 1.00 0.00 H new ATOM 507 N GLY C 40 10.732 12.184 -12.276 1.00 0.00 N ATOM 508 CA GLY C 40 11.804 11.605 -11.421 1.00 0.00 C ATOM 509 C GLY C 40 11.448 11.811 -9.948 1.00 0.00 C ATOM 510 O GLY C 40 11.524 12.909 -9.433 1.00 0.00 O ATOM 0 H GLY C 40 10.063 11.509 -12.647 1.00 0.00 H new ATOM 0 HA2 GLY C 40 11.919 10.542 -11.633 1.00 0.00 H new ATOM 0 HA3 GLY C 40 12.759 12.080 -11.645 1.00 0.00 H new ATOM 514 N ASP C 41 11.052 10.766 -9.266 1.00 0.00 N ATOM 515 CA ASP C 41 10.692 10.910 -7.825 1.00 0.00 C ATOM 516 C ASP C 41 11.727 11.802 -7.142 1.00 0.00 C ATOM 517 O ASP C 41 11.393 12.747 -6.455 1.00 0.00 O ATOM 518 CB ASP C 41 10.682 9.533 -7.159 1.00 0.00 C ATOM 519 CG ASP C 41 9.366 9.343 -6.402 1.00 0.00 C ATOM 520 OD1 ASP C 41 8.367 9.887 -6.844 1.00 0.00 O ATOM 521 OD2 ASP C 41 9.378 8.656 -5.394 1.00 0.00 O ATOM 0 H ASP C 41 10.963 9.823 -9.644 1.00 0.00 H new ATOM 0 HA ASP C 41 9.702 11.358 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP C 41 10.797 8.752 -7.911 1.00 0.00 H new ATOM 0 HB3 ASP C 41 11.525 9.442 -6.474 1.00 0.00 H new ATOM 526 N TRP C 42 12.983 11.507 -7.328 1.00 0.00 N ATOM 527 CA TRP C 42 14.045 12.335 -6.695 1.00 0.00 C ATOM 528 C TRP C 42 14.575 13.321 -7.735 1.00 0.00 C ATOM 529 O TRP C 42 15.119 12.935 -8.750 1.00 0.00 O ATOM 530 CB TRP C 42 15.179 11.434 -6.205 1.00 0.00 C ATOM 531 CG TRP C 42 14.828 10.892 -4.818 1.00 0.00 C ATOM 532 CD1 TRP C 42 13.933 9.919 -4.573 1.00 0.00 C ATOM 533 CD2 TRP C 42 15.351 11.326 -3.675 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.953 9.802 -3.244 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.808 10.641 -2.605 1.00 0.00 C ATOM 536 CE3 TRP C 42 16.299 12.305 -3.457 1.00 0.00 C ATOM 537 CZ2 TRP C 42 15.212 10.935 -1.320 1.00 0.00 C ATOM 538 CZ3 TRP C 42 16.704 12.598 -2.171 1.00 0.00 C ATOM 539 CH2 TRP C 42 16.160 11.913 -1.102 1.00 0.00 C ATOM 0 H TRP C 42 13.320 10.727 -7.892 1.00 0.00 H new ATOM 0 HA TRP C 42 13.638 12.878 -5.842 1.00 0.00 H new ATOM 0 HB2 TRP C 42 15.332 10.610 -6.902 1.00 0.00 H new ATOM 0 HB3 TRP C 42 16.113 11.995 -6.164 1.00 0.00 H new ATOM 0 HD1 TRP C 42 13.339 9.364 -5.284 1.00 0.00 H new ATOM 0 HE1 TRP C 42 13.369 9.131 -2.745 1.00 0.00 H new ATOM 0 HE3 TRP C 42 16.724 12.842 -4.293 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.786 10.400 -0.484 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 17.447 13.363 -2.000 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.477 12.143 -0.096 1.00 0.00 H new ATOM 550 N TRP C 43 14.422 14.592 -7.491 1.00 0.00 N ATOM 551 CA TRP C 43 14.916 15.602 -8.468 1.00 0.00 C ATOM 552 C TRP C 43 16.409 15.854 -8.264 1.00 0.00 C ATOM 553 O TRP C 43 17.064 15.204 -7.473 1.00 0.00 O ATOM 554 CB TRP C 43 14.164 16.916 -8.262 1.00 0.00 C ATOM 555 CG TRP C 43 12.691 16.737 -8.631 1.00 0.00 C ATOM 556 CD1 TRP C 43 12.219 15.860 -9.534 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.691 17.448 -8.121 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.902 16.088 -9.533 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.488 17.062 -8.681 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.723 18.449 -7.173 1.00 0.00 C ATOM 561 CZ2 TRP C 43 9.317 17.677 -8.288 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.552 19.065 -6.782 1.00 0.00 C ATOM 563 CH2 TRP C 43 9.349 18.679 -7.339 1.00 0.00 C ATOM 0 H TRP C 43 13.976 14.975 -6.657 1.00 0.00 H new ATOM 0 HA TRP C 43 14.749 15.224 -9.476 1.00 0.00 H new ATOM 0 HB2 TRP C 43 14.251 17.236 -7.224 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.609 17.700 -8.875 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.772 15.142 -10.121 1.00 0.00 H new ATOM 0 HE1 TRP C 43 10.256 15.569 -10.128 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.664 18.751 -6.737 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 8.376 17.375 -8.723 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.576 19.849 -6.040 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.433 19.161 -7.032 1.00 0.00 H new ATOM 574 N LEU C 44 16.947 16.796 -8.988 1.00 0.00 N ATOM 575 CA LEU C 44 18.394 17.120 -8.863 1.00 0.00 C ATOM 576 C LEU C 44 18.551 18.639 -8.931 1.00 0.00 C ATOM 577 O LEU C 44 18.194 19.262 -9.908 1.00 0.00 O ATOM 578 CB LEU C 44 19.172 16.469 -10.010 1.00 0.00 C ATOM 579 CG LEU C 44 20.672 16.699 -9.806 1.00 0.00 C ATOM 580 CD1 LEU C 44 21.210 15.688 -8.790 1.00 0.00 C ATOM 581 CD2 LEU C 44 21.402 16.522 -11.138 1.00 0.00 C ATOM 0 H LEU C 44 16.439 17.361 -9.668 1.00 0.00 H new ATOM 0 HA LEU C 44 18.784 16.742 -7.918 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.959 15.401 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.855 16.891 -10.964 1.00 0.00 H new ATOM 0 HG LEU C 44 20.837 17.710 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.278 15.851 -8.645 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.691 15.815 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU C 44 21.045 14.676 -9.161 1.00 0.00 H new ATOM 0 HD21 LEU C 44 22.470 16.686 -10.992 1.00 0.00 H new ATOM 0 HD22 LEU C 44 21.238 15.511 -11.511 1.00 0.00 H new ATOM 0 HD23 LEU C 44 21.020 17.243 -11.861 1.00 0.00 H new ATOM 593 N ALA C 45 19.074 19.244 -7.904 1.00 0.00 N ATOM 594 CA ALA C 45 19.242 20.723 -7.932 1.00 0.00 C ATOM 595 C ALA C 45 20.723 21.086 -7.813 1.00 0.00 C ATOM 596 O ALA C 45 21.565 20.244 -7.568 1.00 0.00 O ATOM 597 CB ALA C 45 18.471 21.344 -6.763 1.00 0.00 C ATOM 0 H ALA C 45 19.391 18.783 -7.051 1.00 0.00 H new ATOM 0 HA ALA C 45 18.855 21.108 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.593 22.427 -6.781 1.00 0.00 H new ATOM 0 HB2 ALA C 45 17.413 21.096 -6.852 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.858 20.951 -5.823 1.00 0.00 H new ATOM 603 N HIS C 46 21.041 22.339 -7.987 1.00 0.00 N ATOM 604 CA HIS C 46 22.461 22.777 -7.890 1.00 0.00 C ATOM 605 C HIS C 46 22.609 23.724 -6.690 1.00 0.00 C ATOM 606 O HIS C 46 21.858 24.667 -6.534 1.00 0.00 O ATOM 607 CB HIS C 46 22.851 23.477 -9.211 1.00 0.00 C ATOM 608 CG HIS C 46 23.632 24.773 -8.952 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.893 24.863 -8.866 1.00 0.00 N ATOM 610 CD2 HIS C 46 23.168 26.063 -8.771 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.245 26.075 -8.652 1.00 0.00 C ATOM 612 NE2 HIS C 46 24.207 26.892 -8.580 1.00 0.00 N ATOM 0 H HIS C 46 20.374 23.082 -8.193 1.00 0.00 H new ATOM 0 HA HIS C 46 23.125 21.926 -7.738 1.00 0.00 H new ATOM 0 HB2 HIS C 46 23.455 22.802 -9.817 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.952 23.701 -9.784 1.00 0.00 H new ATOM 0 HD2 HIS C 46 22.129 26.358 -8.782 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.271 26.394 -8.543 1.00 0.00 H new ATOM 0 HE2 HIS C 46 24.198 27.899 -8.420 1.00 0.00 H new ATOM 620 N SER C 47 23.569 23.476 -5.840 1.00 0.00 N ATOM 621 CA SER C 47 23.766 24.358 -4.654 1.00 0.00 C ATOM 622 C SER C 47 23.867 25.816 -5.111 1.00 0.00 C ATOM 623 O SER C 47 23.795 26.114 -6.285 1.00 0.00 O ATOM 624 CB SER C 47 25.053 23.961 -3.930 1.00 0.00 C ATOM 625 OG SER C 47 24.940 22.625 -3.461 1.00 0.00 O ATOM 0 H SER C 47 24.226 22.700 -5.916 1.00 0.00 H new ATOM 0 HA SER C 47 22.919 24.248 -3.977 1.00 0.00 H new ATOM 0 HB2 SER C 47 25.905 24.050 -4.605 1.00 0.00 H new ATOM 0 HB3 SER C 47 25.236 24.637 -3.095 1.00 0.00 H new ATOM 0 HG SER C 47 25.765 22.370 -2.998 1.00 0.00 H new ATOM 631 N LEU C 48 24.036 26.727 -4.191 1.00 0.00 N ATOM 632 CA LEU C 48 24.141 28.163 -4.579 1.00 0.00 C ATOM 633 C LEU C 48 25.457 28.749 -4.059 1.00 0.00 C ATOM 634 O LEU C 48 25.925 29.763 -4.537 1.00 0.00 O ATOM 635 CB LEU C 48 22.967 28.937 -3.976 1.00 0.00 C ATOM 636 CG LEU C 48 21.663 28.197 -4.279 1.00 0.00 C ATOM 637 CD1 LEU C 48 20.489 28.958 -3.657 1.00 0.00 C ATOM 638 CD2 LEU C 48 21.468 28.107 -5.794 1.00 0.00 C ATOM 0 H LEU C 48 24.106 26.540 -3.191 1.00 0.00 H new ATOM 0 HA LEU C 48 24.117 28.244 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU C 48 23.099 29.039 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU C 48 22.931 29.945 -4.389 1.00 0.00 H new ATOM 0 HG LEU C 48 21.708 27.192 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU C 48 19.559 28.432 -3.872 1.00 0.00 H new ATOM 0 HD12 LEU C 48 20.628 29.022 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU C 48 20.443 29.963 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU C 48 20.539 27.580 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU C 48 21.422 29.111 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU C 48 22.304 27.566 -6.237 1.00 0.00 H new ATOM 650 N THR C 49 26.058 28.121 -3.085 1.00 0.00 N ATOM 651 CA THR C 49 27.342 28.649 -2.541 1.00 0.00 C ATOM 652 C THR C 49 28.381 28.736 -3.666 1.00 0.00 C ATOM 653 O THR C 49 28.366 29.654 -4.463 1.00 0.00 O ATOM 654 CB THR C 49 27.845 27.719 -1.434 1.00 0.00 C ATOM 655 OG1 THR C 49 26.918 27.723 -0.357 1.00 0.00 O ATOM 656 CG2 THR C 49 29.208 28.202 -0.938 1.00 0.00 C ATOM 0 H THR C 49 25.717 27.267 -2.643 1.00 0.00 H new ATOM 0 HA THR C 49 27.183 29.645 -2.128 1.00 0.00 H new ATOM 0 HB THR C 49 27.943 26.707 -1.827 1.00 0.00 H new ATOM 0 HG1 THR C 49 27.238 27.127 0.352 1.00 0.00 H new ATOM 0 HG21 THR C 49 29.564 27.539 -0.150 1.00 0.00 H new ATOM 0 HG22 THR C 49 29.918 28.198 -1.765 1.00 0.00 H new ATOM 0 HG23 THR C 49 29.114 29.214 -0.545 1.00 0.00 H new ATOM 664 N THR C 50 29.284 27.793 -3.744 1.00 0.00 N ATOM 665 CA THR C 50 30.312 27.838 -4.821 1.00 0.00 C ATOM 666 C THR C 50 29.795 27.087 -6.049 1.00 0.00 C ATOM 667 O THR C 50 30.225 27.322 -7.160 1.00 0.00 O ATOM 668 CB THR C 50 31.602 27.178 -4.324 1.00 0.00 C ATOM 669 OG1 THR C 50 32.555 27.152 -5.377 1.00 0.00 O ATOM 670 CG2 THR C 50 31.303 25.749 -3.868 1.00 0.00 C ATOM 0 H THR C 50 29.352 26.997 -3.110 1.00 0.00 H new ATOM 0 HA THR C 50 30.515 28.875 -5.087 1.00 0.00 H new ATOM 0 HB THR C 50 32.002 27.748 -3.486 1.00 0.00 H new ATOM 0 HG1 THR C 50 33.381 26.731 -5.060 1.00 0.00 H new ATOM 0 HG21 THR C 50 32.221 25.280 -3.515 1.00 0.00 H new ATOM 0 HG22 THR C 50 30.572 25.770 -3.060 1.00 0.00 H new ATOM 0 HG23 THR C 50 30.902 25.177 -4.704 1.00 0.00 H new ATOM 678 N GLY C 51 28.875 26.182 -5.856 1.00 0.00 N ATOM 679 CA GLY C 51 28.330 25.416 -7.012 1.00 0.00 C ATOM 680 C GLY C 51 28.447 23.917 -6.729 1.00 0.00 C ATOM 681 O GLY C 51 29.416 23.458 -6.158 1.00 0.00 O ATOM 0 H GLY C 51 28.477 25.940 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY C 51 27.287 25.685 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY C 51 28.876 25.670 -7.920 1.00 0.00 H new ATOM 685 N GLN C 52 27.468 23.149 -7.125 1.00 0.00 N ATOM 686 CA GLN C 52 27.528 21.682 -6.878 1.00 0.00 C ATOM 687 C GLN C 52 26.251 21.020 -7.402 1.00 0.00 C ATOM 688 O GLN C 52 25.421 21.654 -8.023 1.00 0.00 O ATOM 689 CB GLN C 52 27.655 21.426 -5.375 1.00 0.00 C ATOM 690 CG GLN C 52 29.119 21.148 -5.028 1.00 0.00 C ATOM 691 CD GLN C 52 29.289 19.666 -4.690 1.00 0.00 C ATOM 692 OE1 GLN C 52 28.787 18.809 -5.391 1.00 0.00 O ATOM 693 NE2 GLN C 52 29.982 19.324 -3.638 1.00 0.00 N ATOM 0 H GLN C 52 26.631 23.475 -7.608 1.00 0.00 H new ATOM 0 HA GLN C 52 28.391 21.262 -7.395 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.295 22.290 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN C 52 27.034 20.578 -5.086 1.00 0.00 H new ATOM 0 HG2 GLN C 52 29.760 21.417 -5.867 1.00 0.00 H new ATOM 0 HG3 GLN C 52 29.427 21.763 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN C 52 30.404 20.042 -3.049 1.00 0.00 H new ATOM 0 HE22 GLN C 52 30.102 18.338 -3.405 1.00 0.00 H new ATOM 702 N THR C 53 26.089 19.748 -7.157 1.00 0.00 N ATOM 703 CA THR C 53 24.867 19.044 -7.641 1.00 0.00 C ATOM 704 C THR C 53 24.481 17.956 -6.627 1.00 0.00 C ATOM 705 O THR C 53 25.329 17.322 -6.031 1.00 0.00 O ATOM 706 CB THR C 53 25.152 18.443 -9.037 1.00 0.00 C ATOM 707 OG1 THR C 53 24.258 19.016 -9.980 1.00 0.00 O ATOM 708 CG2 THR C 53 24.977 16.918 -9.043 1.00 0.00 C ATOM 0 H THR C 53 26.750 19.166 -6.643 1.00 0.00 H new ATOM 0 HA THR C 53 24.031 19.738 -7.732 1.00 0.00 H new ATOM 0 HB THR C 53 26.186 18.667 -9.299 1.00 0.00 H new ATOM 0 HG1 THR C 53 24.434 18.641 -10.868 1.00 0.00 H new ATOM 0 HG21 THR C 53 25.186 16.532 -10.041 1.00 0.00 H new ATOM 0 HG22 THR C 53 25.667 16.470 -8.329 1.00 0.00 H new ATOM 0 HG23 THR C 53 23.953 16.668 -8.764 1.00 0.00 H new ATOM 716 N GLY C 54 23.208 17.738 -6.429 1.00 0.00 N ATOM 717 CA GLY C 54 22.777 16.693 -5.457 1.00 0.00 C ATOM 718 C GLY C 54 21.274 16.445 -5.599 1.00 0.00 C ATOM 719 O GLY C 54 20.481 17.366 -5.633 1.00 0.00 O ATOM 0 H GLY C 54 22.451 18.237 -6.897 1.00 0.00 H new ATOM 0 HA2 GLY C 54 23.326 15.768 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY C 54 23.008 17.011 -4.440 1.00 0.00 H new ATOM 723 N TYR C 55 20.876 15.204 -5.684 1.00 0.00 N ATOM 724 CA TYR C 55 19.431 14.888 -5.823 1.00 0.00 C ATOM 725 C TYR C 55 18.697 15.237 -4.525 1.00 0.00 C ATOM 726 O TYR C 55 19.193 15.009 -3.439 1.00 0.00 O ATOM 727 CB TYR C 55 19.276 13.395 -6.111 1.00 0.00 C ATOM 728 CG TYR C 55 19.967 13.053 -7.432 1.00 0.00 C ATOM 729 CD1 TYR C 55 19.377 13.376 -8.638 1.00 0.00 C ATOM 730 CD2 TYR C 55 21.188 12.409 -7.438 1.00 0.00 C ATOM 731 CE1 TYR C 55 19.997 13.061 -9.830 1.00 0.00 C ATOM 732 CE2 TYR C 55 21.808 12.094 -8.630 1.00 0.00 C ATOM 733 CZ TYR C 55 21.219 12.417 -9.835 1.00 0.00 C ATOM 734 OH TYR C 55 21.838 12.098 -11.026 1.00 0.00 O ATOM 0 H TYR C 55 21.495 14.394 -5.663 1.00 0.00 H new ATOM 0 HA TYR C 55 19.005 15.470 -6.640 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.710 12.811 -5.300 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.219 13.132 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR C 55 18.422 13.880 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR C 55 21.662 12.150 -6.503 1.00 0.00 H new ATOM 0 HE1 TYR C 55 19.523 13.320 -10.766 1.00 0.00 H new ATOM 0 HE2 TYR C 55 22.763 11.590 -8.619 1.00 0.00 H new ATOM 0 HH TYR C 55 22.690 11.649 -10.842 1.00 0.00 H new ATOM 744 N ILE C 56 17.519 15.789 -4.629 1.00 0.00 N ATOM 745 CA ILE C 56 16.751 16.152 -3.404 1.00 0.00 C ATOM 746 C ILE C 56 15.346 15.548 -3.490 1.00 0.00 C ATOM 747 O ILE C 56 14.779 15.456 -4.562 1.00 0.00 O ATOM 748 CB ILE C 56 16.639 17.677 -3.291 1.00 0.00 C ATOM 749 CG1 ILE C 56 15.790 18.222 -4.445 1.00 0.00 C ATOM 750 CG2 ILE C 56 18.039 18.299 -3.337 1.00 0.00 C ATOM 751 CD1 ILE C 56 16.608 18.224 -5.739 1.00 0.00 C ATOM 0 H ILE C 56 17.054 16.005 -5.511 1.00 0.00 H new ATOM 0 HA ILE C 56 17.269 15.763 -2.527 1.00 0.00 H new ATOM 0 HB ILE C 56 16.162 17.934 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE C 56 14.896 17.611 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.455 19.233 -4.215 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.958 19.383 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.634 17.917 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.521 18.040 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE C 56 15.998 18.613 -6.554 1.00 0.00 H new ATOM 0 HD12 ILE C 56 17.488 18.854 -5.612 1.00 0.00 H new ATOM 0 HD13 ILE C 56 16.921 17.207 -5.973 1.00 0.00 H new ATOM 763 N PRO C 57 14.825 15.149 -2.357 1.00 0.00 N ATOM 764 CA PRO C 57 13.481 14.549 -2.282 1.00 0.00 C ATOM 765 C PRO C 57 12.433 15.538 -2.804 1.00 0.00 C ATOM 766 O PRO C 57 12.330 16.653 -2.333 1.00 0.00 O ATOM 767 CB PRO C 57 13.263 14.257 -0.791 1.00 0.00 C ATOM 768 CG PRO C 57 14.544 14.697 -0.032 1.00 0.00 C ATOM 769 CD PRO C 57 15.529 15.263 -1.066 1.00 0.00 C ATOM 0 HA PRO C 57 13.391 13.648 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.393 14.798 -0.419 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.070 13.196 -0.633 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.304 15.449 0.719 1.00 0.00 H new ATOM 0 HG3 PRO C 57 14.986 13.851 0.494 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.784 16.299 -0.844 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.462 14.700 -1.073 1.00 0.00 H new ATOM 777 N SER C 58 11.657 15.136 -3.774 1.00 0.00 N ATOM 778 CA SER C 58 10.617 16.050 -4.328 1.00 0.00 C ATOM 779 C SER C 58 9.538 16.315 -3.275 1.00 0.00 C ATOM 780 O SER C 58 8.662 17.135 -3.467 1.00 0.00 O ATOM 781 CB SER C 58 9.978 15.402 -5.559 1.00 0.00 C ATOM 782 OG SER C 58 8.750 14.791 -5.189 1.00 0.00 O ATOM 0 H SER C 58 11.698 14.213 -4.207 1.00 0.00 H new ATOM 0 HA SER C 58 11.082 16.995 -4.608 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.805 16.153 -6.330 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.653 14.659 -5.984 1.00 0.00 H new ATOM 0 HG SER C 58 8.340 14.378 -5.977 1.00 0.00 H new ATOM 788 N ASN C 59 9.587 15.629 -2.166 1.00 0.00 N ATOM 789 CA ASN C 59 8.558 15.853 -1.111 1.00 0.00 C ATOM 790 C ASN C 59 9.157 16.683 0.026 1.00 0.00 C ATOM 791 O ASN C 59 8.457 17.135 0.911 1.00 0.00 O ATOM 792 CB ASN C 59 8.085 14.504 -0.563 1.00 0.00 C ATOM 793 CG ASN C 59 6.559 14.432 -0.638 1.00 0.00 C ATOM 794 OD1 ASN C 59 5.975 14.727 -1.662 1.00 0.00 O ATOM 795 ND2 ASN C 59 5.883 14.049 0.411 1.00 0.00 N ATOM 0 H ASN C 59 10.292 14.926 -1.945 1.00 0.00 H new ATOM 0 HA ASN C 59 7.712 16.388 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN C 59 8.527 13.690 -1.138 1.00 0.00 H new ATOM 0 HB3 ASN C 59 8.416 14.382 0.468 1.00 0.00 H new ATOM 0 HD21 ASN C 59 4.865 13.997 0.371 1.00 0.00 H new ATOM 0 HD22 ASN C 59 6.373 13.801 1.271 1.00 0.00 H new ATOM 802 N TYR C 60 10.446 16.887 0.013 1.00 0.00 N ATOM 803 CA TYR C 60 11.085 17.690 1.096 1.00 0.00 C ATOM 804 C TYR C 60 11.294 19.126 0.613 1.00 0.00 C ATOM 805 O TYR C 60 12.058 19.877 1.187 1.00 0.00 O ATOM 806 CB TYR C 60 12.438 17.073 1.461 1.00 0.00 C ATOM 807 CG TYR C 60 12.224 15.841 2.347 1.00 0.00 C ATOM 808 CD1 TYR C 60 10.985 15.233 2.426 1.00 0.00 C ATOM 809 CD2 TYR C 60 13.270 15.318 3.081 1.00 0.00 C ATOM 810 CE1 TYR C 60 10.798 14.124 3.224 1.00 0.00 C ATOM 811 CE2 TYR C 60 13.081 14.208 3.879 1.00 0.00 C ATOM 812 CZ TYR C 60 11.844 13.603 3.957 1.00 0.00 C ATOM 813 OH TYR C 60 11.656 12.493 4.754 1.00 0.00 O ATOM 0 H TYR C 60 11.084 16.533 -0.700 1.00 0.00 H new ATOM 0 HA TYR C 60 10.438 17.692 1.973 1.00 0.00 H new ATOM 0 HB2 TYR C 60 12.976 16.792 0.556 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.053 17.806 1.983 1.00 0.00 H new ATOM 0 HD1 TYR C 60 10.157 15.630 1.858 1.00 0.00 H new ATOM 0 HD2 TYR C 60 14.244 15.781 3.030 1.00 0.00 H new ATOM 0 HE1 TYR C 60 9.824 13.659 3.276 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.909 13.810 4.447 1.00 0.00 H new ATOM 0 HH TYR C 60 10.737 12.169 4.652 1.00 0.00 H new ATOM 823 N VAL C 61 10.618 19.512 -0.436 1.00 0.00 N ATOM 824 CA VAL C 61 10.775 20.898 -0.959 1.00 0.00 C ATOM 825 C VAL C 61 9.456 21.353 -1.586 1.00 0.00 C ATOM 826 O VAL C 61 8.557 20.566 -1.812 1.00 0.00 O ATOM 827 CB VAL C 61 11.893 20.922 -2.010 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.822 19.649 -2.857 1.00 0.00 C ATOM 829 CG2 VAL C 61 11.746 22.146 -2.920 1.00 0.00 C ATOM 0 H VAL C 61 9.963 18.926 -0.953 1.00 0.00 H new ATOM 0 HA VAL C 61 11.037 21.574 -0.145 1.00 0.00 H new ATOM 0 HB VAL C 61 12.855 20.976 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.615 19.664 -3.604 1.00 0.00 H new ATOM 0 HG12 VAL C 61 11.945 18.777 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL C 61 10.854 19.598 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.547 22.148 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL C 61 10.783 22.108 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL C 61 11.804 23.054 -2.320 1.00 0.00 H new ATOM 839 N ALA C 62 9.335 22.619 -1.869 1.00 0.00 N ATOM 840 CA ALA C 62 8.076 23.130 -2.481 1.00 0.00 C ATOM 841 C ALA C 62 8.417 24.168 -3.559 1.00 0.00 C ATOM 842 O ALA C 62 9.293 24.989 -3.367 1.00 0.00 O ATOM 843 CB ALA C 62 7.213 23.783 -1.400 1.00 0.00 C ATOM 0 H ALA C 62 10.054 23.323 -1.703 1.00 0.00 H new ATOM 0 HA ALA C 62 7.529 22.303 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.292 24.157 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA C 62 6.972 23.047 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.760 24.611 -0.949 1.00 0.00 H new ATOM 849 N PRO C 63 7.713 24.102 -4.665 1.00 0.00 N ATOM 850 CA PRO C 63 7.928 25.032 -5.787 1.00 0.00 C ATOM 851 C PRO C 63 7.558 26.457 -5.368 1.00 0.00 C ATOM 852 O PRO C 63 6.467 26.926 -5.629 1.00 0.00 O ATOM 853 CB PRO C 63 6.985 24.539 -6.893 1.00 0.00 C ATOM 854 CG PRO C 63 6.167 23.353 -6.319 1.00 0.00 C ATOM 855 CD PRO C 63 6.657 23.096 -4.886 1.00 0.00 C ATOM 0 HA PRO C 63 8.968 25.054 -6.114 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.321 25.341 -7.216 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.553 24.224 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.102 23.586 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.301 22.463 -6.934 1.00 0.00 H new ATOM 0 HD2 PRO C 63 5.847 23.207 -4.165 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.045 22.084 -4.776 1.00 0.00 H new ATOM 863 N SER C 64 8.454 27.150 -4.721 1.00 0.00 N ATOM 864 CA SER C 64 8.148 28.542 -4.288 1.00 0.00 C ATOM 865 C SER C 64 9.308 29.081 -3.450 1.00 0.00 C ATOM 866 O SER C 64 9.775 30.168 -3.750 1.00 0.00 O ATOM 867 CB SER C 64 6.866 28.541 -3.451 1.00 0.00 C ATOM 868 OG SER C 64 7.198 28.592 -2.071 1.00 0.00 O ATOM 869 OXT SER C 64 9.711 28.398 -2.523 1.00 0.00 O ATOM 0 H SER C 64 9.384 26.813 -4.474 1.00 0.00 H new ATOM 0 HA SER C 64 8.010 29.176 -5.163 1.00 0.00 H new ATOM 0 HB2 SER C 64 6.245 29.396 -3.718 1.00 0.00 H new ATOM 0 HB3 SER C 64 6.283 27.645 -3.662 1.00 0.00 H new ATOM 0 HG SER C 64 6.376 28.593 -1.537 1.00 0.00 H new TER 875 SER C 64 ATOM 876 N ALA A 71 15.451 15.426 12.420 1.00 0.00 N ATOM 877 CA ALA A 71 14.613 15.658 11.210 1.00 0.00 C ATOM 878 C ALA A 71 13.226 15.047 11.422 1.00 0.00 C ATOM 879 O ALA A 71 12.217 15.679 11.181 1.00 0.00 O ATOM 880 CB ALA A 71 15.278 15.005 9.996 1.00 0.00 C ATOM 0 HA ALA A 71 14.514 16.730 11.038 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.665 15.174 9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 71 16.265 15.441 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 71 15.378 13.933 10.168 1.00 0.00 H new ATOM 888 N PHE A 72 13.167 13.823 11.872 1.00 0.00 N ATOM 889 CA PHE A 72 11.845 13.172 12.098 1.00 0.00 C ATOM 890 C PHE A 72 10.920 13.477 10.921 1.00 0.00 C ATOM 891 O PHE A 72 9.764 13.809 11.092 1.00 0.00 O ATOM 892 CB PHE A 72 11.225 13.707 13.391 1.00 0.00 C ATOM 893 CG PHE A 72 12.263 13.655 14.514 1.00 0.00 C ATOM 894 CD1 PHE A 72 13.083 12.551 14.662 1.00 0.00 C ATOM 895 CD2 PHE A 72 12.395 14.713 15.396 1.00 0.00 C ATOM 896 CE1 PHE A 72 14.018 12.505 15.675 1.00 0.00 C ATOM 897 CE2 PHE A 72 13.331 14.665 16.408 1.00 0.00 C ATOM 898 CZ PHE A 72 14.142 13.562 16.548 1.00 0.00 C ATOM 0 H PHE A 72 13.978 13.245 12.093 1.00 0.00 H new ATOM 0 HA PHE A 72 11.980 12.094 12.182 1.00 0.00 H new ATOM 0 HB2 PHE A 72 10.882 14.731 13.246 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.352 13.113 13.661 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.991 11.719 13.980 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.761 15.581 15.291 1.00 0.00 H new ATOM 0 HE1 PHE A 72 14.654 11.639 15.783 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.428 15.495 17.092 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.874 13.526 17.341 1.00 0.00 H new ATOM 908 N ALA A 73 11.427 13.367 9.727 1.00 0.00 N ATOM 909 CA ALA A 73 10.588 13.646 8.529 1.00 0.00 C ATOM 910 C ALA A 73 9.912 12.350 8.072 1.00 0.00 C ATOM 911 O ALA A 73 10.307 11.274 8.477 1.00 0.00 O ATOM 912 CB ALA A 73 11.471 14.187 7.402 1.00 0.00 C ATOM 0 H ALA A 73 12.390 13.095 9.528 1.00 0.00 H new ATOM 0 HA ALA A 73 9.828 14.386 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.857 14.391 6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.955 15.108 7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.231 13.448 7.149 1.00 0.00 H new ATOM 918 N PRO A 74 8.910 12.491 7.242 1.00 0.00 N ATOM 919 CA PRO A 74 8.163 11.336 6.716 1.00 0.00 C ATOM 920 C PRO A 74 9.101 10.426 5.914 1.00 0.00 C ATOM 921 O PRO A 74 10.184 10.831 5.543 1.00 0.00 O ATOM 922 CB PRO A 74 7.088 11.945 5.805 1.00 0.00 C ATOM 923 CG PRO A 74 7.267 13.486 5.831 1.00 0.00 C ATOM 924 CD PRO A 74 8.444 13.806 6.765 1.00 0.00 C ATOM 0 HA PRO A 74 7.727 10.725 7.506 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.188 11.565 4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.092 11.670 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.461 13.865 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.357 13.970 6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.235 14.339 6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.131 14.440 7.594 1.00 0.00 H new ATOM 932 N PRO A 75 8.653 9.220 5.670 1.00 0.00 N ATOM 933 CA PRO A 75 9.438 8.231 4.912 1.00 0.00 C ATOM 934 C PRO A 75 9.743 8.764 3.509 1.00 0.00 C ATOM 935 O PRO A 75 8.858 8.944 2.697 1.00 0.00 O ATOM 936 CB PRO A 75 8.541 6.989 4.837 1.00 0.00 C ATOM 937 CG PRO A 75 7.224 7.313 5.593 1.00 0.00 C ATOM 938 CD PRO A 75 7.332 8.750 6.126 1.00 0.00 C ATOM 0 HA PRO A 75 10.397 8.012 5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.333 6.730 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.039 6.130 5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.367 7.216 4.927 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.071 6.611 6.413 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.532 9.378 5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.256 8.776 7.213 1.00 0.00 H new ATOM 946 N LEU A 76 10.991 9.016 3.219 1.00 0.00 N ATOM 947 CA LEU A 76 11.350 9.536 1.871 1.00 0.00 C ATOM 948 C LEU A 76 10.589 8.749 0.801 1.00 0.00 C ATOM 949 O LEU A 76 10.334 7.572 0.966 1.00 0.00 O ATOM 950 CB LEU A 76 12.856 9.376 1.649 1.00 0.00 C ATOM 951 CG LEU A 76 13.611 10.327 2.579 1.00 0.00 C ATOM 952 CD1 LEU A 76 14.882 9.642 3.088 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.990 11.596 1.812 1.00 0.00 C ATOM 0 H LEU A 76 11.776 8.884 3.857 1.00 0.00 H new ATOM 0 HA LEU A 76 11.082 10.591 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.156 8.346 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.106 9.591 0.610 1.00 0.00 H new ATOM 0 HG LEU A 76 12.975 10.588 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.420 10.320 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.614 8.737 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.518 9.381 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.528 12.274 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.626 11.334 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.086 12.085 1.448 1.00 0.00 H new ATOM 965 N PRO A 77 10.249 9.423 -0.270 1.00 0.00 N ATOM 966 CA PRO A 77 9.512 8.803 -1.385 1.00 0.00 C ATOM 967 C PRO A 77 10.337 7.667 -1.996 1.00 0.00 C ATOM 968 O PRO A 77 11.464 7.858 -2.409 1.00 0.00 O ATOM 969 CB PRO A 77 9.314 9.935 -2.402 1.00 0.00 C ATOM 970 CG PRO A 77 9.966 11.215 -1.818 1.00 0.00 C ATOM 971 CD PRO A 77 10.569 10.850 -0.451 1.00 0.00 C ATOM 0 HA PRO A 77 8.564 8.369 -1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.771 9.675 -3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.253 10.098 -2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.739 11.591 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.225 12.007 -1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.646 11.019 -0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.139 11.456 0.346 1.00 0.00 H new ATOM 979 N ARG A 78 9.785 6.486 -2.057 1.00 0.00 N ATOM 980 CA ARG A 78 10.538 5.341 -2.642 1.00 0.00 C ATOM 981 C ARG A 78 11.214 5.786 -3.939 1.00 0.00 C ATOM 982 O ARG A 78 10.581 6.321 -4.828 1.00 0.00 O ATOM 983 CB ARG A 78 9.570 4.194 -2.937 1.00 0.00 C ATOM 984 CG ARG A 78 10.318 2.861 -2.851 1.00 0.00 C ATOM 985 CD ARG A 78 10.932 2.713 -1.457 1.00 0.00 C ATOM 986 NE ARG A 78 10.002 3.280 -0.442 1.00 0.00 N ATOM 987 CZ ARG A 78 8.945 2.608 -0.072 1.00 0.00 C ATOM 988 NH1 ARG A 78 8.701 1.431 -0.586 1.00 0.00 N ATOM 989 NH2 ARG A 78 8.131 3.111 0.814 1.00 0.00 N ATOM 0 H ARG A 78 8.846 6.265 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 78 11.296 5.004 -1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.745 4.207 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.136 4.316 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.635 2.035 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.098 2.819 -3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.124 1.662 -1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.892 3.228 -1.414 1.00 0.00 H new ATOM 0 HE ARG A 78 10.191 4.196 -0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.337 1.035 -1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.875 0.909 -0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.320 4.029 1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.305 2.587 1.104 1.00 0.00 H new ATOM 1003 N ARG A 79 12.496 5.571 -4.056 1.00 0.00 N ATOM 1004 CA ARG A 79 13.210 5.982 -5.297 1.00 0.00 C ATOM 1005 C ARG A 79 12.843 5.028 -6.435 1.00 0.00 C ATOM 1006 O ARG A 79 12.241 5.483 -7.393 1.00 0.00 O ATOM 1007 CB ARG A 79 14.721 5.936 -5.059 1.00 0.00 C ATOM 1008 CG ARG A 79 15.085 6.875 -3.907 1.00 0.00 C ATOM 1009 CD ARG A 79 16.475 7.469 -4.152 1.00 0.00 C ATOM 1010 NE ARG A 79 16.975 8.093 -2.896 1.00 0.00 N ATOM 1011 CZ ARG A 79 18.026 8.868 -2.921 1.00 0.00 C ATOM 1012 NH1 ARG A 79 18.645 9.100 -4.047 1.00 0.00 N ATOM 1013 NH2 ARG A 79 18.459 9.413 -1.817 1.00 0.00 N ATOM 1014 OXT ARG A 79 13.171 3.857 -6.328 1.00 0.00 O ATOM 0 H ARG A 79 13.079 5.129 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 79 12.917 6.997 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 79 15.032 4.918 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 79 15.252 6.231 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.346 7.672 -3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 79 15.072 6.331 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 79 17.162 6.690 -4.483 1.00 0.00 H new ATOM 0 HD3 ARG A 79 16.430 8.213 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 79 16.495 7.915 -2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.308 8.675 -4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 79 19.465 9.706 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 79 17.977 9.233 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.280 10.018 -1.835 1.00 0.00 H new TER 1028 ARG A 79