USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 MET CE :methyl -122:sc= -0.946 (180deg=0) USER MOD Set 1.2: A 39 HIS : no HD1:sc= -4.84 X(o=-5.8,f=-5.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot -71:sc= 1.23 USER MOD Single : A 8 ASN : amide:sc= -0.0346 X(o=-0.035,f=-0.5) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 10 THR OG1 : rot 45:sc= 0.807 USER MOD Single : A 14 MET CE :methyl -168:sc= 0 (180deg=-0.204) USER MOD Single : A 17 SER OG : rot 74:sc= 0.623 USER MOD Single : A 18 THR OG1 : rot 176:sc= 0.955 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 25 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.7!) USER MOD Single : A 28 THR OG1 : rot -12:sc= 0.43 USER MOD Single : A 29 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.5) USER MOD Single : A 33 SER OG : rot 180:sc= 0.107 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0.0565 K(o=0.057,f=-2.1!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.46 K(o=-0.46,f=-1.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -114:sc= -0.0349 (180deg=-0.349) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -106:sc= 0 (180deg=-0.108) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 56 SER OG : rot 180:sc= -0.218 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 60 SER OG : rot 54:sc= 0.149 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.643 -18.430 5.212 1.00 0.00 N ATOM 2 CA GLY A 1 -29.189 -17.836 3.921 1.00 0.00 C ATOM 3 C GLY A 1 -28.547 -16.476 4.181 1.00 0.00 C ATOM 4 O GLY A 1 -27.320 -16.354 4.185 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.080 -19.357 5.033 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.827 -18.549 5.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.339 -17.799 5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.474 -18.500 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.035 -17.726 3.242 1.00 0.00 H new ATOM 10 N SER A 2 -29.384 -15.458 4.401 1.00 0.00 N ATOM 11 CA SER A 2 -28.892 -14.105 4.662 1.00 0.00 C ATOM 12 C SER A 2 -29.686 -13.455 5.792 1.00 0.00 C ATOM 13 O SER A 2 -30.829 -13.039 5.593 1.00 0.00 O ATOM 14 CB SER A 2 -29.015 -13.255 3.397 1.00 0.00 C ATOM 15 OG SER A 2 -28.404 -11.990 3.620 1.00 0.00 O ATOM 0 H SER A 2 -30.400 -15.546 4.403 1.00 0.00 H new ATOM 0 HA SER A 2 -27.845 -14.169 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.537 -13.760 2.558 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.065 -13.124 3.134 1.00 0.00 H new ATOM 0 HG SER A 2 -28.480 -11.443 2.810 1.00 0.00 H new ATOM 21 N MET A 3 -29.072 -13.373 6.975 1.00 0.00 N ATOM 22 CA MET A 3 -29.725 -12.770 8.136 1.00 0.00 C ATOM 23 C MET A 3 -29.214 -11.348 8.361 1.00 0.00 C ATOM 24 O MET A 3 -28.186 -11.144 9.012 1.00 0.00 O ATOM 25 CB MET A 3 -29.454 -13.618 9.382 1.00 0.00 C ATOM 26 CG MET A 3 -30.079 -15.005 9.206 1.00 0.00 C ATOM 27 SD MET A 3 -29.542 -16.081 10.559 1.00 0.00 S ATOM 28 CE MET A 3 -30.911 -15.725 11.687 1.00 0.00 C ATOM 0 H MET A 3 -28.128 -13.715 7.152 1.00 0.00 H new ATOM 0 HA MET A 3 -30.798 -12.730 7.949 1.00 0.00 H new ATOM 0 HB2 MET A 3 -28.380 -13.710 9.545 1.00 0.00 H new ATOM 0 HB3 MET A 3 -29.870 -13.130 10.264 1.00 0.00 H new ATOM 0 HG2 MET A 3 -31.166 -14.928 9.197 1.00 0.00 H new ATOM 0 HG3 MET A 3 -29.782 -15.431 8.248 1.00 0.00 H new ATOM 0 HE1 MET A 3 -30.782 -16.294 12.607 1.00 0.00 H new ATOM 0 HE2 MET A 3 -30.925 -14.660 11.918 1.00 0.00 H new ATOM 0 HE3 MET A 3 -31.853 -16.006 11.216 1.00 0.00 H new ATOM 38 N ALA A 4 -29.935 -10.366 7.809 1.00 0.00 N ATOM 39 CA ALA A 4 -29.547 -8.958 7.940 1.00 0.00 C ATOM 40 C ALA A 4 -30.598 -8.163 8.718 1.00 0.00 C ATOM 41 O ALA A 4 -30.256 -7.243 9.465 1.00 0.00 O ATOM 42 CB ALA A 4 -29.368 -8.342 6.552 1.00 0.00 C ATOM 0 H ALA A 4 -30.787 -10.520 7.269 1.00 0.00 H new ATOM 0 HA ALA A 4 -28.607 -8.915 8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -29.080 -7.296 6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -28.591 -8.882 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -30.306 -8.408 6.001 1.00 0.00 H new ATOM 48 N GLN A 5 -31.873 -8.509 8.529 1.00 0.00 N ATOM 49 CA GLN A 5 -32.964 -7.808 9.211 1.00 0.00 C ATOM 50 C GLN A 5 -32.932 -8.057 10.717 1.00 0.00 C ATOM 51 O GLN A 5 -33.283 -7.174 11.502 1.00 0.00 O ATOM 52 CB GLN A 5 -34.316 -8.264 8.652 1.00 0.00 C ATOM 53 CG GLN A 5 -34.436 -7.837 7.189 1.00 0.00 C ATOM 54 CD GLN A 5 -35.599 -8.570 6.529 1.00 0.00 C ATOM 55 OE1 GLN A 5 -36.632 -7.965 6.242 1.00 0.00 O ATOM 56 NE2 GLN A 5 -35.493 -9.845 6.271 1.00 0.00 N ATOM 0 H GLN A 5 -32.175 -9.265 7.914 1.00 0.00 H new ATOM 0 HA GLN A 5 -32.831 -6.741 9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -34.408 -9.347 8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -35.128 -7.830 9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -34.591 -6.760 7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -33.509 -8.057 6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -34.636 -10.344 6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -36.267 -10.342 5.831 1.00 0.00 H new ATOM 65 N GLU A 6 -32.524 -9.264 11.115 1.00 0.00 N ATOM 66 CA GLU A 6 -32.465 -9.618 12.534 1.00 0.00 C ATOM 67 C GLU A 6 -31.049 -9.423 13.095 1.00 0.00 C ATOM 68 O GLU A 6 -30.470 -10.329 13.702 1.00 0.00 O ATOM 69 CB GLU A 6 -32.925 -11.068 12.717 1.00 0.00 C ATOM 70 CG GLU A 6 -34.416 -11.171 12.389 1.00 0.00 C ATOM 71 CD GLU A 6 -35.243 -10.703 13.582 1.00 0.00 C ATOM 72 OE1 GLU A 6 -35.322 -11.443 14.549 1.00 0.00 O ATOM 73 OE2 GLU A 6 -35.784 -9.612 13.512 1.00 0.00 O ATOM 0 H GLU A 6 -32.232 -10.007 10.480 1.00 0.00 H new ATOM 0 HA GLU A 6 -33.131 -8.957 13.089 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -32.351 -11.728 12.067 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -32.743 -11.393 13.741 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -34.648 -10.564 11.514 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -34.672 -12.201 12.139 1.00 0.00 H new ATOM 80 N THR A 7 -30.503 -8.219 12.894 1.00 0.00 N ATOM 81 CA THR A 7 -29.165 -7.895 13.388 1.00 0.00 C ATOM 82 C THR A 7 -29.096 -6.427 13.798 1.00 0.00 C ATOM 83 O THR A 7 -29.843 -5.598 13.277 1.00 0.00 O ATOM 84 CB THR A 7 -28.114 -8.174 12.308 1.00 0.00 C ATOM 85 OG1 THR A 7 -28.372 -7.355 11.177 1.00 0.00 O ATOM 86 CG2 THR A 7 -28.172 -9.647 11.898 1.00 0.00 C ATOM 0 H THR A 7 -30.965 -7.459 12.396 1.00 0.00 H new ATOM 0 HA THR A 7 -28.959 -8.522 14.256 1.00 0.00 H new ATOM 0 HB THR A 7 -27.123 -7.951 12.702 1.00 0.00 H new ATOM 0 HG1 THR A 7 -29.176 -7.676 10.717 1.00 0.00 H new ATOM 0 HG21 THR A 7 -27.423 -9.841 11.130 1.00 0.00 H new ATOM 0 HG22 THR A 7 -27.972 -10.275 12.766 1.00 0.00 H new ATOM 0 HG23 THR A 7 -29.162 -9.877 11.505 1.00 0.00 H new ATOM 94 N ASN A 8 -28.191 -6.111 14.730 1.00 0.00 N ATOM 95 CA ASN A 8 -28.029 -4.734 15.197 1.00 0.00 C ATOM 96 C ASN A 8 -27.443 -3.867 14.088 1.00 0.00 C ATOM 97 O ASN A 8 -27.971 -2.796 13.781 1.00 0.00 O ATOM 98 CB ASN A 8 -27.110 -4.692 16.420 1.00 0.00 C ATOM 99 CG ASN A 8 -27.833 -5.261 17.635 1.00 0.00 C ATOM 100 OD1 ASN A 8 -28.982 -4.909 17.896 1.00 0.00 O ATOM 101 ND2 ASN A 8 -27.221 -6.125 18.397 1.00 0.00 N ATOM 0 H ASN A 8 -27.565 -6.785 15.172 1.00 0.00 H new ATOM 0 HA ASN A 8 -29.009 -4.347 15.474 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -26.204 -5.265 16.224 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -26.801 -3.666 16.618 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -27.696 -6.511 19.213 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -26.268 -6.414 18.177 1.00 0.00 H new ATOM 108 N GLN A 9 -26.353 -4.346 13.484 1.00 0.00 N ATOM 109 CA GLN A 9 -25.695 -3.622 12.395 1.00 0.00 C ATOM 110 C GLN A 9 -25.666 -4.484 11.137 1.00 0.00 C ATOM 111 O GLN A 9 -26.087 -5.643 11.163 1.00 0.00 O ATOM 112 CB GLN A 9 -24.263 -3.231 12.793 1.00 0.00 C ATOM 113 CG GLN A 9 -23.486 -4.459 13.288 1.00 0.00 C ATOM 114 CD GLN A 9 -22.036 -4.079 13.571 1.00 0.00 C ATOM 115 OE1 GLN A 9 -21.348 -3.555 12.695 1.00 0.00 O ATOM 116 NE2 GLN A 9 -21.526 -4.310 14.751 1.00 0.00 N ATOM 0 H GLN A 9 -25.908 -5.230 13.730 1.00 0.00 H new ATOM 0 HA GLN A 9 -26.261 -2.713 12.194 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -23.750 -2.789 11.939 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -24.291 -2.472 13.575 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -23.950 -4.853 14.192 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -23.524 -5.250 12.539 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.096 -4.744 15.477 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.558 -4.056 14.947 1.00 0.00 H new ATOM 125 N THR A 10 -25.172 -3.912 10.036 1.00 0.00 N ATOM 126 CA THR A 10 -25.096 -4.639 8.771 1.00 0.00 C ATOM 127 C THR A 10 -23.786 -4.310 8.036 1.00 0.00 C ATOM 128 O THR A 10 -23.742 -3.366 7.243 1.00 0.00 O ATOM 129 CB THR A 10 -26.298 -4.271 7.893 1.00 0.00 C ATOM 130 OG1 THR A 10 -26.334 -2.862 7.704 1.00 0.00 O ATOM 131 CG2 THR A 10 -27.586 -4.732 8.575 1.00 0.00 C ATOM 0 H THR A 10 -24.822 -2.955 9.997 1.00 0.00 H new ATOM 0 HA THR A 10 -25.114 -5.709 8.979 1.00 0.00 H new ATOM 0 HB THR A 10 -26.206 -4.762 6.924 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.434 -2.537 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 10 -28.441 -4.471 7.952 1.00 0.00 H new ATOM 0 HG22 THR A 10 -27.556 -5.812 8.716 1.00 0.00 H new ATOM 0 HG23 THR A 10 -27.680 -4.242 9.544 1.00 0.00 H new ATOM 139 N PRO A 11 -22.719 -5.064 8.277 1.00 0.00 N ATOM 140 CA PRO A 11 -21.402 -4.826 7.604 1.00 0.00 C ATOM 141 C PRO A 11 -21.471 -5.115 6.103 1.00 0.00 C ATOM 142 O PRO A 11 -22.066 -6.113 5.687 1.00 0.00 O ATOM 143 CB PRO A 11 -20.429 -5.790 8.311 1.00 0.00 C ATOM 144 CG PRO A 11 -21.147 -6.286 9.526 1.00 0.00 C ATOM 145 CD PRO A 11 -22.634 -6.211 9.203 1.00 0.00 C ATOM 0 HA PRO A 11 -21.089 -3.785 7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -20.154 -6.617 7.656 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -19.505 -5.280 8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -20.851 -7.308 9.762 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -20.907 -5.675 10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -22.993 -7.130 8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -23.233 -6.051 10.099 1.00 0.00 H new ATOM 153 N GLY A 12 -20.863 -4.241 5.297 1.00 0.00 N ATOM 154 CA GLY A 12 -20.864 -4.419 3.845 1.00 0.00 C ATOM 155 C GLY A 12 -20.319 -3.179 3.125 1.00 0.00 C ATOM 156 O GLY A 12 -19.348 -3.288 2.370 1.00 0.00 O ATOM 0 H GLY A 12 -20.368 -3.411 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.259 -5.288 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.879 -4.623 3.503 1.00 0.00 H new ATOM 160 N PRO A 13 -20.914 -2.009 3.323 1.00 0.00 N ATOM 161 CA PRO A 13 -20.447 -0.760 2.650 1.00 0.00 C ATOM 162 C PRO A 13 -19.084 -0.304 3.177 1.00 0.00 C ATOM 163 O PRO A 13 -18.992 0.632 3.978 1.00 0.00 O ATOM 164 CB PRO A 13 -21.548 0.264 2.951 1.00 0.00 C ATOM 165 CG PRO A 13 -22.235 -0.227 4.180 1.00 0.00 C ATOM 166 CD PRO A 13 -22.078 -1.747 4.202 1.00 0.00 C ATOM 0 HA PRO A 13 -20.295 -0.900 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -21.126 1.257 3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.246 0.343 2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -21.795 0.219 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.289 0.052 4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.903 -2.114 5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -22.975 -2.245 3.833 1.00 0.00 H new ATOM 174 N MET A 14 -18.026 -0.978 2.718 1.00 0.00 N ATOM 175 CA MET A 14 -16.668 -0.645 3.141 1.00 0.00 C ATOM 176 C MET A 14 -16.228 0.681 2.518 1.00 0.00 C ATOM 177 O MET A 14 -15.545 0.707 1.491 1.00 0.00 O ATOM 178 CB MET A 14 -15.700 -1.772 2.745 1.00 0.00 C ATOM 179 CG MET A 14 -15.814 -2.922 3.750 1.00 0.00 C ATOM 180 SD MET A 14 -15.037 -2.440 5.314 1.00 0.00 S ATOM 181 CE MET A 14 -14.350 -4.056 5.744 1.00 0.00 C ATOM 0 H MET A 14 -18.085 -1.753 2.057 1.00 0.00 H new ATOM 0 HA MET A 14 -16.654 -0.538 4.226 1.00 0.00 H new ATOM 0 HB2 MET A 14 -15.931 -2.128 1.741 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.677 -1.396 2.722 1.00 0.00 H new ATOM 0 HG2 MET A 14 -16.862 -3.172 3.915 1.00 0.00 H new ATOM 0 HG3 MET A 14 -15.332 -3.815 3.353 1.00 0.00 H new ATOM 0 HE1 MET A 14 -14.007 -4.042 6.779 1.00 0.00 H new ATOM 0 HE2 MET A 14 -15.118 -4.821 5.626 1.00 0.00 H new ATOM 0 HE3 MET A 14 -13.510 -4.281 5.087 1.00 0.00 H new ATOM 191 N LEU A 15 -16.641 1.786 3.149 1.00 0.00 N ATOM 192 CA LEU A 15 -16.302 3.121 2.658 1.00 0.00 C ATOM 193 C LEU A 15 -14.838 3.443 2.964 1.00 0.00 C ATOM 194 O LEU A 15 -14.309 3.023 3.993 1.00 0.00 O ATOM 195 CB LEU A 15 -17.235 4.165 3.316 1.00 0.00 C ATOM 196 CG LEU A 15 -17.989 4.975 2.246 1.00 0.00 C ATOM 197 CD1 LEU A 15 -18.933 4.059 1.459 1.00 0.00 C ATOM 198 CD2 LEU A 15 -18.806 6.071 2.933 1.00 0.00 C ATOM 0 H LEU A 15 -17.208 1.780 3.997 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.439 3.152 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -17.949 3.662 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.650 4.838 3.943 1.00 0.00 H new ATOM 0 HG LEU A 15 -17.269 5.419 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -19.461 4.642 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.355 3.274 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -19.655 3.609 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.343 6.649 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.520 5.616 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.138 6.729 3.488 1.00 0.00 H new ATOM 210 N CYS A 16 -14.185 4.175 2.050 1.00 0.00 N ATOM 211 CA CYS A 16 -12.762 4.542 2.195 1.00 0.00 C ATOM 212 C CYS A 16 -12.388 5.021 3.610 1.00 0.00 C ATOM 213 O CYS A 16 -13.076 5.849 4.207 1.00 0.00 O ATOM 214 CB CYS A 16 -12.405 5.638 1.187 1.00 0.00 C ATOM 215 SG CYS A 16 -10.609 5.686 0.971 1.00 0.00 S ATOM 0 H CYS A 16 -14.619 4.528 1.197 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.192 3.632 2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.893 5.443 0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.767 6.604 1.539 1.00 0.00 H new ATOM 220 N SER A 17 -11.286 4.466 4.122 1.00 0.00 N ATOM 221 CA SER A 17 -10.797 4.804 5.460 1.00 0.00 C ATOM 222 C SER A 17 -10.348 6.265 5.536 1.00 0.00 C ATOM 223 O SER A 17 -10.478 6.901 6.586 1.00 0.00 O ATOM 224 CB SER A 17 -9.631 3.889 5.837 1.00 0.00 C ATOM 225 OG SER A 17 -10.056 2.537 5.767 1.00 0.00 O ATOM 0 H SER A 17 -10.715 3.780 3.629 1.00 0.00 H new ATOM 0 HA SER A 17 -11.618 4.661 6.163 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.791 4.054 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.282 4.121 6.843 1.00 0.00 H new ATOM 0 HG SER A 17 -10.145 2.270 4.828 1.00 0.00 H new ATOM 231 N THR A 18 -9.817 6.790 4.428 1.00 0.00 N ATOM 232 CA THR A 18 -9.346 8.179 4.398 1.00 0.00 C ATOM 233 C THR A 18 -10.507 9.189 4.395 1.00 0.00 C ATOM 234 O THR A 18 -10.282 10.378 4.633 1.00 0.00 O ATOM 235 CB THR A 18 -8.457 8.409 3.172 1.00 0.00 C ATOM 236 OG1 THR A 18 -9.184 8.102 1.995 1.00 0.00 O ATOM 237 CG2 THR A 18 -7.215 7.515 3.260 1.00 0.00 C ATOM 0 H THR A 18 -9.703 6.283 3.550 1.00 0.00 H new ATOM 0 HA THR A 18 -8.769 8.342 5.308 1.00 0.00 H new ATOM 0 HB THR A 18 -8.146 9.453 3.142 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.635 8.305 1.209 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.585 7.681 2.386 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.655 7.758 4.163 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.521 6.469 3.293 1.00 0.00 H new ATOM 245 N GLY A 19 -11.744 8.725 4.143 1.00 0.00 N ATOM 246 CA GLY A 19 -12.904 9.619 4.138 1.00 0.00 C ATOM 247 C GLY A 19 -12.952 10.476 2.878 1.00 0.00 C ATOM 248 O GLY A 19 -13.221 11.676 2.953 1.00 0.00 O ATOM 0 H GLY A 19 -11.960 7.748 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.818 9.029 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.869 10.264 5.016 1.00 0.00 H new ATOM 252 N CYS A 20 -12.687 9.857 1.723 1.00 0.00 N ATOM 253 CA CYS A 20 -12.702 10.591 0.454 1.00 0.00 C ATOM 254 C CYS A 20 -14.122 10.678 -0.149 1.00 0.00 C ATOM 255 O CYS A 20 -14.355 11.485 -1.049 1.00 0.00 O ATOM 256 CB CYS A 20 -11.703 9.961 -0.542 1.00 0.00 C ATOM 257 SG CYS A 20 -12.217 8.288 -1.031 1.00 0.00 S ATOM 0 H CYS A 20 -12.463 8.865 1.640 1.00 0.00 H new ATOM 0 HA CYS A 20 -12.387 11.615 0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -11.623 10.592 -1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.712 9.921 -0.089 1.00 0.00 H new ATOM 262 N GLY A 21 -15.067 9.864 0.355 1.00 0.00 N ATOM 263 CA GLY A 21 -16.447 9.894 -0.147 1.00 0.00 C ATOM 264 C GLY A 21 -16.725 8.834 -1.224 1.00 0.00 C ATOM 265 O GLY A 21 -17.818 8.809 -1.790 1.00 0.00 O ATOM 0 H GLY A 21 -14.901 9.187 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.133 9.743 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.656 10.882 -0.557 1.00 0.00 H new ATOM 269 N PHE A 22 -15.743 7.967 -1.513 1.00 0.00 N ATOM 270 CA PHE A 22 -15.911 6.928 -2.529 1.00 0.00 C ATOM 271 C PHE A 22 -15.883 5.541 -1.888 1.00 0.00 C ATOM 272 O PHE A 22 -15.459 5.390 -0.740 1.00 0.00 O ATOM 273 CB PHE A 22 -14.799 7.055 -3.570 1.00 0.00 C ATOM 274 CG PHE A 22 -14.963 8.369 -4.297 1.00 0.00 C ATOM 275 CD1 PHE A 22 -16.055 8.564 -5.150 1.00 0.00 C ATOM 276 CD2 PHE A 22 -14.028 9.396 -4.109 1.00 0.00 C ATOM 277 CE1 PHE A 22 -16.216 9.786 -5.813 1.00 0.00 C ATOM 278 CE2 PHE A 22 -14.188 10.618 -4.776 1.00 0.00 C ATOM 279 CZ PHE A 22 -15.283 10.813 -5.628 1.00 0.00 C ATOM 0 H PHE A 22 -14.830 7.968 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 22 -16.878 7.056 -3.015 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -13.823 7.010 -3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -14.845 6.225 -4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -16.774 7.771 -5.297 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -13.185 9.246 -3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -17.061 9.937 -6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.467 11.410 -4.633 1.00 0.00 H new ATOM 0 HZ PHE A 22 -15.407 11.755 -6.142 1.00 0.00 H new ATOM 289 N TYR A 23 -16.356 4.538 -2.632 1.00 0.00 N ATOM 290 CA TYR A 23 -16.404 3.164 -2.125 1.00 0.00 C ATOM 291 C TYR A 23 -14.992 2.600 -1.953 1.00 0.00 C ATOM 292 O TYR A 23 -14.092 2.906 -2.741 1.00 0.00 O ATOM 293 CB TYR A 23 -17.199 2.282 -3.101 1.00 0.00 C ATOM 294 CG TYR A 23 -17.828 1.124 -2.361 1.00 0.00 C ATOM 295 CD1 TYR A 23 -18.855 1.365 -1.441 1.00 0.00 C ATOM 296 CD2 TYR A 23 -17.397 -0.186 -2.601 1.00 0.00 C ATOM 297 CE1 TYR A 23 -19.450 0.299 -0.759 1.00 0.00 C ATOM 298 CE2 TYR A 23 -17.993 -1.255 -1.920 1.00 0.00 C ATOM 299 CZ TYR A 23 -19.021 -1.013 -0.998 1.00 0.00 C ATOM 300 OH TYR A 23 -19.609 -2.066 -0.326 1.00 0.00 O ATOM 0 H TYR A 23 -16.709 4.650 -3.582 1.00 0.00 H new ATOM 0 HA TYR A 23 -16.895 3.169 -1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -17.972 2.874 -3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -16.540 1.908 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -19.188 2.376 -1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.605 -0.372 -3.311 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -20.241 0.487 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -17.661 -2.266 -2.105 1.00 0.00 H new ATOM 0 HH TYR A 23 -19.194 -2.907 -0.610 1.00 0.00 H new ATOM 310 N GLY A 24 -14.805 1.776 -0.918 1.00 0.00 N ATOM 311 CA GLY A 24 -13.501 1.169 -0.644 1.00 0.00 C ATOM 312 C GLY A 24 -13.532 -0.332 -0.926 1.00 0.00 C ATOM 313 O GLY A 24 -14.606 -0.935 -0.983 1.00 0.00 O ATOM 0 H GLY A 24 -15.538 1.515 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.737 1.644 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.225 1.343 0.396 1.00 0.00 H new ATOM 317 N ASN A 25 -12.350 -0.928 -1.094 1.00 0.00 N ATOM 318 CA ASN A 25 -12.249 -2.362 -1.364 1.00 0.00 C ATOM 319 C ASN A 25 -11.700 -3.107 -0.135 1.00 0.00 C ATOM 320 O ASN A 25 -10.568 -2.841 0.277 1.00 0.00 O ATOM 321 CB ASN A 25 -11.307 -2.601 -2.551 1.00 0.00 C ATOM 322 CG ASN A 25 -11.670 -3.891 -3.291 1.00 0.00 C ATOM 323 OD1 ASN A 25 -12.745 -4.459 -3.087 1.00 0.00 O ATOM 324 ND2 ASN A 25 -10.822 -4.388 -4.148 1.00 0.00 N ATOM 0 H ASN A 25 -11.454 -0.442 -1.048 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.245 -2.738 -1.596 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.361 -1.756 -3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.278 -2.658 -2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.048 -5.247 -4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.933 -3.918 -4.317 1.00 0.00 H new ATOM 331 N PRO A 26 -12.443 -4.038 0.452 1.00 0.00 N ATOM 332 CA PRO A 26 -11.948 -4.807 1.637 1.00 0.00 C ATOM 333 C PRO A 26 -10.778 -5.731 1.279 1.00 0.00 C ATOM 334 O PRO A 26 -10.012 -6.130 2.159 1.00 0.00 O ATOM 335 CB PRO A 26 -13.164 -5.598 2.102 1.00 0.00 C ATOM 336 CG PRO A 26 -14.020 -5.738 0.890 1.00 0.00 C ATOM 337 CD PRO A 26 -13.812 -4.462 0.081 1.00 0.00 C ATOM 0 HA PRO A 26 -11.554 -4.151 2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.874 -6.572 2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.692 -5.077 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.737 -6.618 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.068 -5.860 1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -13.899 -4.647 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.550 -3.701 0.334 1.00 0.00 H new ATOM 345 N ARG A 27 -10.613 -6.035 -0.017 1.00 0.00 N ATOM 346 CA ARG A 27 -9.496 -6.870 -0.470 1.00 0.00 C ATOM 347 C ARG A 27 -8.198 -6.053 -0.454 1.00 0.00 C ATOM 348 O ARG A 27 -7.120 -6.589 -0.191 1.00 0.00 O ATOM 349 CB ARG A 27 -9.753 -7.375 -1.891 1.00 0.00 C ATOM 350 CG ARG A 27 -10.827 -8.465 -1.871 1.00 0.00 C ATOM 351 CD ARG A 27 -10.970 -9.073 -3.270 1.00 0.00 C ATOM 352 NE ARG A 27 -9.973 -10.135 -3.474 1.00 0.00 N ATOM 353 CZ ARG A 27 -9.836 -10.795 -4.641 1.00 0.00 C ATOM 354 NH1 ARG A 27 -10.619 -10.559 -5.671 1.00 0.00 N ATOM 355 NH2 ARG A 27 -8.903 -11.702 -4.753 1.00 0.00 N ATOM 0 H ARG A 27 -11.233 -5.718 -0.762 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.404 -7.722 0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.072 -6.550 -2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.831 -7.769 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.559 -9.240 -1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.779 -8.045 -1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.974 -9.479 -3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.843 -8.297 -4.025 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.359 -10.383 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.357 -9.858 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.488 -11.077 -6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.290 -11.903 -3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.788 -12.209 -5.630 1.00 0.00 H new ATOM 369 N THR A 28 -8.328 -4.742 -0.711 1.00 0.00 N ATOM 370 CA THR A 28 -7.179 -3.843 -0.695 1.00 0.00 C ATOM 371 C THR A 28 -6.851 -3.506 0.773 1.00 0.00 C ATOM 372 O THR A 28 -7.151 -4.307 1.662 1.00 0.00 O ATOM 373 CB THR A 28 -7.496 -2.576 -1.523 1.00 0.00 C ATOM 374 OG1 THR A 28 -8.559 -1.867 -0.906 1.00 0.00 O ATOM 375 CG2 THR A 28 -7.898 -2.958 -2.953 1.00 0.00 C ATOM 0 H THR A 28 -9.215 -4.289 -0.931 1.00 0.00 H new ATOM 0 HA THR A 28 -6.307 -4.315 -1.149 1.00 0.00 H new ATOM 0 HB THR A 28 -6.606 -1.948 -1.565 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.977 -2.433 -0.223 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.118 -2.055 -3.523 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.079 -3.497 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.783 -3.594 -2.925 1.00 0.00 H new ATOM 383 N ASN A 29 -6.240 -2.344 1.034 1.00 0.00 N ATOM 384 CA ASN A 29 -5.889 -1.949 2.401 1.00 0.00 C ATOM 385 C ASN A 29 -7.021 -1.160 3.081 1.00 0.00 C ATOM 386 O ASN A 29 -6.757 -0.344 3.969 1.00 0.00 O ATOM 387 CB ASN A 29 -4.614 -1.100 2.360 1.00 0.00 C ATOM 388 CG ASN A 29 -3.392 -2.006 2.268 1.00 0.00 C ATOM 389 OD1 ASN A 29 -3.339 -2.889 1.412 1.00 0.00 O ATOM 390 ND2 ASN A 29 -2.403 -1.844 3.100 1.00 0.00 N ATOM 0 H ASN A 29 -5.980 -1.664 0.319 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.726 -2.853 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.643 -0.425 1.504 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.551 -0.479 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.584 -2.449 3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.448 -1.112 3.809 1.00 0.00 H new ATOM 397 N GLY A 30 -8.273 -1.385 2.659 1.00 0.00 N ATOM 398 CA GLY A 30 -9.410 -0.664 3.231 1.00 0.00 C ATOM 399 C GLY A 30 -9.616 0.691 2.537 1.00 0.00 C ATOM 400 O GLY A 30 -10.383 1.524 3.025 1.00 0.00 O ATOM 0 H GLY A 30 -8.519 -2.055 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.313 -1.267 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.246 -0.508 4.297 1.00 0.00 H new ATOM 404 N MET A 31 -8.914 0.920 1.411 1.00 0.00 N ATOM 405 CA MET A 31 -9.014 2.181 0.686 1.00 0.00 C ATOM 406 C MET A 31 -9.471 1.955 -0.756 1.00 0.00 C ATOM 407 O MET A 31 -9.388 0.844 -1.281 1.00 0.00 O ATOM 408 CB MET A 31 -7.644 2.864 0.676 1.00 0.00 C ATOM 409 CG MET A 31 -7.457 3.687 1.951 1.00 0.00 C ATOM 410 SD MET A 31 -7.116 2.592 3.351 1.00 0.00 S ATOM 411 CE MET A 31 -5.749 3.545 4.066 1.00 0.00 C ATOM 0 H MET A 31 -8.275 0.244 0.992 1.00 0.00 H new ATOM 0 HA MET A 31 -9.751 2.809 1.187 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.856 2.115 0.599 1.00 0.00 H new ATOM 0 HB3 MET A 31 -7.557 3.509 -0.198 1.00 0.00 H new ATOM 0 HG2 MET A 31 -6.636 4.392 1.821 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.353 4.275 2.149 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.858 2.920 4.118 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.546 4.415 3.441 1.00 0.00 H new ATOM 0 HE3 MET A 31 -6.021 3.874 5.069 1.00 0.00 H new ATOM 421 N CYS A 32 -9.953 3.032 -1.381 1.00 0.00 N ATOM 422 CA CYS A 32 -10.422 2.974 -2.759 1.00 0.00 C ATOM 423 C CYS A 32 -9.219 2.833 -3.710 1.00 0.00 C ATOM 424 O CYS A 32 -8.166 2.353 -3.292 1.00 0.00 O ATOM 425 CB CYS A 32 -11.292 4.219 -3.061 1.00 0.00 C ATOM 426 SG CYS A 32 -10.305 5.742 -2.990 1.00 0.00 S ATOM 0 H CYS A 32 -10.027 3.954 -0.950 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.052 2.098 -2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.743 4.120 -4.049 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.109 4.278 -2.342 1.00 0.00 H new ATOM 431 N SER A 33 -9.380 3.217 -4.979 1.00 0.00 N ATOM 432 CA SER A 33 -8.299 3.088 -5.960 1.00 0.00 C ATOM 433 C SER A 33 -7.213 4.158 -5.778 1.00 0.00 C ATOM 434 O SER A 33 -6.021 3.845 -5.786 1.00 0.00 O ATOM 435 CB SER A 33 -8.875 3.168 -7.387 1.00 0.00 C ATOM 436 OG SER A 33 -10.135 3.834 -7.371 1.00 0.00 O ATOM 0 H SER A 33 -10.242 3.617 -5.350 1.00 0.00 H new ATOM 0 HA SER A 33 -7.830 2.117 -5.800 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.182 3.701 -8.038 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.991 2.165 -7.797 1.00 0.00 H new ATOM 0 HG SER A 33 -10.492 3.881 -8.283 1.00 0.00 H new ATOM 442 N VAL A 34 -7.628 5.417 -5.669 1.00 0.00 N ATOM 443 CA VAL A 34 -6.682 6.539 -5.544 1.00 0.00 C ATOM 444 C VAL A 34 -5.962 6.535 -4.187 1.00 0.00 C ATOM 445 O VAL A 34 -4.734 6.629 -4.128 1.00 0.00 O ATOM 446 CB VAL A 34 -7.427 7.878 -5.731 1.00 0.00 C ATOM 447 CG1 VAL A 34 -6.411 9.005 -5.918 1.00 0.00 C ATOM 448 CG2 VAL A 34 -8.347 7.809 -6.967 1.00 0.00 C ATOM 0 H VAL A 34 -8.610 5.693 -5.664 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.928 6.421 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.034 8.071 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.937 9.951 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.770 9.066 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.801 8.803 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.866 8.760 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.748 7.607 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.077 7.011 -6.833 1.00 0.00 H new ATOM 458 N CYS A 35 -6.734 6.465 -3.104 1.00 0.00 N ATOM 459 CA CYS A 35 -6.172 6.488 -1.745 1.00 0.00 C ATOM 460 C CYS A 35 -5.209 5.318 -1.502 1.00 0.00 C ATOM 461 O CYS A 35 -4.216 5.468 -0.788 1.00 0.00 O ATOM 462 CB CYS A 35 -7.303 6.445 -0.712 1.00 0.00 C ATOM 463 SG CYS A 35 -8.344 7.922 -0.880 1.00 0.00 S ATOM 0 H CYS A 35 -7.751 6.392 -3.136 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.606 7.414 -1.640 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.904 5.547 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.887 6.394 0.294 1.00 0.00 H new ATOM 468 N TYR A 36 -5.523 4.155 -2.077 1.00 0.00 N ATOM 469 CA TYR A 36 -4.695 2.952 -1.899 1.00 0.00 C ATOM 470 C TYR A 36 -3.251 3.164 -2.379 1.00 0.00 C ATOM 471 O TYR A 36 -2.309 2.832 -1.657 1.00 0.00 O ATOM 472 CB TYR A 36 -5.349 1.759 -2.636 1.00 0.00 C ATOM 473 CG TYR A 36 -4.537 0.472 -2.498 1.00 0.00 C ATOM 474 CD1 TYR A 36 -3.960 0.107 -1.267 1.00 0.00 C ATOM 475 CD2 TYR A 36 -4.378 -0.359 -3.612 1.00 0.00 C ATOM 476 CE1 TYR A 36 -3.232 -1.084 -1.161 1.00 0.00 C ATOM 477 CE2 TYR A 36 -3.648 -1.549 -3.504 1.00 0.00 C ATOM 478 CZ TYR A 36 -3.074 -1.911 -2.279 1.00 0.00 C ATOM 479 OH TYR A 36 -2.359 -3.085 -2.174 1.00 0.00 O ATOM 0 H TYR A 36 -6.342 4.017 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.642 2.735 -0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.352 1.597 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.459 2.004 -3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.079 0.746 -0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.819 -0.082 -4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.792 -1.365 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.528 -2.188 -4.366 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.347 -3.540 -3.042 1.00 0.00 H new ATOM 489 N LYS A 37 -3.085 3.710 -3.583 1.00 0.00 N ATOM 490 CA LYS A 37 -1.745 3.940 -4.124 1.00 0.00 C ATOM 491 C LYS A 37 -1.076 5.098 -3.390 1.00 0.00 C ATOM 492 O LYS A 37 0.105 5.026 -3.045 1.00 0.00 O ATOM 493 CB LYS A 37 -1.792 4.206 -5.642 1.00 0.00 C ATOM 494 CG LYS A 37 -2.633 5.446 -5.963 1.00 0.00 C ATOM 495 CD LYS A 37 -2.679 5.656 -7.475 1.00 0.00 C ATOM 496 CE LYS A 37 -3.256 7.038 -7.779 1.00 0.00 C ATOM 497 NZ LYS A 37 -3.599 7.126 -9.226 1.00 0.00 N ATOM 0 H LYS A 37 -3.849 3.998 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.154 3.038 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.779 4.342 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.209 3.338 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.643 5.324 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.206 6.323 -5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.677 5.567 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.290 4.884 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.144 7.214 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.533 7.811 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.992 8.066 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.742 6.976 -9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.303 6.397 -9.461 1.00 0.00 H new ATOM 511 N GLU A 38 -1.839 6.172 -3.176 1.00 0.00 N ATOM 512 CA GLU A 38 -1.327 7.367 -2.500 1.00 0.00 C ATOM 513 C GLU A 38 -0.720 7.042 -1.132 1.00 0.00 C ATOM 514 O GLU A 38 0.305 7.620 -0.759 1.00 0.00 O ATOM 515 CB GLU A 38 -2.458 8.387 -2.321 1.00 0.00 C ATOM 516 CG GLU A 38 -2.676 9.147 -3.633 1.00 0.00 C ATOM 517 CD GLU A 38 -1.598 10.211 -3.800 1.00 0.00 C ATOM 518 OE1 GLU A 38 -1.355 10.933 -2.850 1.00 0.00 O ATOM 519 OE2 GLU A 38 -1.033 10.284 -4.878 1.00 0.00 O ATOM 0 H GLU A 38 -2.816 6.239 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.538 7.781 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.376 7.879 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.209 9.085 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.649 8.454 -4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.662 9.612 -3.635 1.00 0.00 H new ATOM 526 N HIS A 39 -1.355 6.130 -0.384 1.00 0.00 N ATOM 527 CA HIS A 39 -0.844 5.772 0.944 1.00 0.00 C ATOM 528 C HIS A 39 0.234 4.679 0.864 1.00 0.00 C ATOM 529 O HIS A 39 1.168 4.661 1.667 1.00 0.00 O ATOM 530 CB HIS A 39 -2.007 5.398 1.907 1.00 0.00 C ATOM 531 CG HIS A 39 -2.531 3.984 1.726 1.00 0.00 C ATOM 532 ND1 HIS A 39 -3.885 3.725 1.585 1.00 0.00 N ATOM 533 CD2 HIS A 39 -1.919 2.751 1.746 1.00 0.00 C ATOM 534 CE1 HIS A 39 -4.043 2.390 1.536 1.00 0.00 C ATOM 535 NE2 HIS A 39 -2.876 1.750 1.627 1.00 0.00 N ATOM 0 H HIS A 39 -2.202 5.638 -0.667 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.354 6.650 1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.666 5.519 2.935 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.828 6.100 1.758 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.856 2.586 1.840 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.998 1.896 1.435 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.720 0.742 1.612 1.00 0.00 H new ATOM 544 N LEU A 40 0.090 3.774 -0.108 1.00 0.00 N ATOM 545 CA LEU A 40 1.049 2.673 -0.291 1.00 0.00 C ATOM 546 C LEU A 40 2.452 3.200 -0.625 1.00 0.00 C ATOM 547 O LEU A 40 3.454 2.570 -0.282 1.00 0.00 O ATOM 548 CB LEU A 40 0.570 1.751 -1.419 1.00 0.00 C ATOM 549 CG LEU A 40 1.355 0.439 -1.393 1.00 0.00 C ATOM 550 CD1 LEU A 40 0.860 -0.428 -0.231 1.00 0.00 C ATOM 551 CD2 LEU A 40 1.148 -0.308 -2.718 1.00 0.00 C ATOM 0 H LEU A 40 -0.677 3.779 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 40 1.106 2.119 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.495 1.549 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.701 2.244 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 40 2.416 0.651 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.419 -1.364 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.009 0.104 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.201 -0.642 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.708 -1.243 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.088 -0.522 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.502 0.310 -3.543 1.00 0.00 H new ATOM 563 N GLN A 41 2.508 4.350 -1.297 1.00 0.00 N ATOM 564 CA GLN A 41 3.786 4.953 -1.684 1.00 0.00 C ATOM 565 C GLN A 41 4.589 5.397 -0.456 1.00 0.00 C ATOM 566 O GLN A 41 5.813 5.240 -0.422 1.00 0.00 O ATOM 567 CB GLN A 41 3.522 6.156 -2.601 1.00 0.00 C ATOM 568 CG GLN A 41 3.477 5.694 -4.062 1.00 0.00 C ATOM 569 CD GLN A 41 3.114 6.863 -4.969 1.00 0.00 C ATOM 570 OE1 GLN A 41 1.933 7.140 -5.184 1.00 0.00 O ATOM 571 NE2 GLN A 41 4.065 7.566 -5.518 1.00 0.00 N ATOM 0 H GLN A 41 1.687 4.882 -1.584 1.00 0.00 H new ATOM 0 HA GLN A 41 4.375 4.204 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.579 6.631 -2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.304 6.904 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.445 5.285 -4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.746 4.894 -4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.041 7.333 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.833 8.349 -6.129 1.00 0.00 H new ATOM 580 N ARG A 42 3.896 5.946 0.544 1.00 0.00 N ATOM 581 CA ARG A 42 4.556 6.409 1.769 1.00 0.00 C ATOM 582 C ARG A 42 4.865 5.241 2.707 1.00 0.00 C ATOM 583 O ARG A 42 5.849 5.278 3.449 1.00 0.00 O ATOM 584 CB ARG A 42 3.666 7.416 2.494 1.00 0.00 C ATOM 585 CG ARG A 42 3.640 8.724 1.703 1.00 0.00 C ATOM 586 CD ARG A 42 2.496 9.602 2.211 1.00 0.00 C ATOM 587 NE ARG A 42 2.300 10.746 1.313 1.00 0.00 N ATOM 588 CZ ARG A 42 3.172 11.768 1.234 1.00 0.00 C ATOM 589 NH1 ARG A 42 4.248 11.825 1.985 1.00 0.00 N ATOM 590 NH2 ARG A 42 2.934 12.739 0.395 1.00 0.00 N ATOM 0 H ARG A 42 2.885 6.081 0.532 1.00 0.00 H new ATOM 0 HA ARG A 42 5.495 6.883 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.656 7.019 2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.043 7.594 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.590 9.247 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.510 8.517 0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.578 9.017 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.718 9.954 3.218 1.00 0.00 H new ATOM 0 HE ARG A 42 1.468 10.767 0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.443 11.080 2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.888 12.614 1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.097 12.716 -0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.585 13.521 0.322 1.00 0.00 H new ATOM 604 N GLN A 43 4.022 4.208 2.662 1.00 0.00 N ATOM 605 CA GLN A 43 4.213 3.031 3.501 1.00 0.00 C ATOM 606 C GLN A 43 5.348 2.167 2.944 1.00 0.00 C ATOM 607 O GLN A 43 6.130 1.592 3.702 1.00 0.00 O ATOM 608 CB GLN A 43 2.915 2.219 3.549 1.00 0.00 C ATOM 609 CG GLN A 43 2.875 1.368 4.822 1.00 0.00 C ATOM 610 CD GLN A 43 2.294 2.169 5.984 1.00 0.00 C ATOM 611 OE1 GLN A 43 1.463 3.058 5.782 1.00 0.00 O ATOM 612 NE2 GLN A 43 2.682 1.904 7.201 1.00 0.00 N ATOM 0 H GLN A 43 3.204 4.165 2.054 1.00 0.00 H new ATOM 0 HA GLN A 43 4.476 3.350 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.056 2.889 3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.845 1.577 2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.273 0.476 4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.881 1.031 5.072 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.369 1.169 7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.298 2.432 7.985 1.00 0.00 H new ATOM 621 N GLN A 44 5.423 2.085 1.614 1.00 0.00 N ATOM 622 CA GLN A 44 6.457 1.291 0.949 1.00 0.00 C ATOM 623 C GLN A 44 7.819 1.982 1.038 1.00 0.00 C ATOM 624 O GLN A 44 8.841 1.324 1.252 1.00 0.00 O ATOM 625 CB GLN A 44 6.093 1.081 -0.520 1.00 0.00 C ATOM 626 CG GLN A 44 6.864 -0.121 -1.066 1.00 0.00 C ATOM 627 CD GLN A 44 6.315 -0.520 -2.429 1.00 0.00 C ATOM 628 OE1 GLN A 44 5.821 -1.635 -2.599 1.00 0.00 O ATOM 629 NE2 GLN A 44 6.375 0.327 -3.418 1.00 0.00 N ATOM 0 H GLN A 44 4.781 2.558 0.978 1.00 0.00 H new ATOM 0 HA GLN A 44 6.518 0.327 1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.020 0.915 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.333 1.974 -1.097 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.923 0.124 -1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.784 -0.959 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.785 1.250 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.012 0.067 -4.335 1.00 0.00 H new ATOM 638 N ASN A 45 7.823 3.306 0.866 1.00 0.00 N ATOM 639 CA ASN A 45 9.067 4.079 0.922 1.00 0.00 C ATOM 640 C ASN A 45 9.659 4.056 2.332 1.00 0.00 C ATOM 641 O ASN A 45 10.871 3.912 2.501 1.00 0.00 O ATOM 642 CB ASN A 45 8.802 5.531 0.500 1.00 0.00 C ATOM 643 CG ASN A 45 8.803 5.648 -1.022 1.00 0.00 C ATOM 644 OD1 ASN A 45 9.562 4.953 -1.699 1.00 0.00 O ATOM 645 ND2 ASN A 45 7.994 6.491 -1.605 1.00 0.00 N ATOM 0 H ASN A 45 6.986 3.862 0.688 1.00 0.00 H new ATOM 0 HA ASN A 45 9.782 3.624 0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.842 5.863 0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.565 6.185 0.922 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.990 6.574 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.366 7.066 -1.044 1.00 0.00 H new ATOM 652 N SER A 46 8.793 4.202 3.337 1.00 0.00 N ATOM 653 CA SER A 46 9.233 4.201 4.732 1.00 0.00 C ATOM 654 C SER A 46 9.590 2.787 5.188 1.00 0.00 C ATOM 655 O SER A 46 10.746 2.510 5.521 1.00 0.00 O ATOM 656 CB SER A 46 8.133 4.765 5.630 1.00 0.00 C ATOM 657 OG SER A 46 8.713 5.257 6.830 1.00 0.00 O ATOM 0 H SER A 46 7.788 4.322 3.211 1.00 0.00 H new ATOM 0 HA SER A 46 10.121 4.828 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.601 5.565 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.400 3.991 5.857 1.00 0.00 H new ATOM 0 HG SER A 46 8.010 5.621 7.408 1.00 0.00 H new ATOM 663 N GLY A 47 8.592 1.901 5.206 1.00 0.00 N ATOM 664 CA GLY A 47 8.808 0.521 5.628 1.00 0.00 C ATOM 665 C GLY A 47 9.055 0.445 7.132 1.00 0.00 C ATOM 666 O GLY A 47 10.084 -0.072 7.571 1.00 0.00 O ATOM 0 H GLY A 47 7.633 2.115 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.940 -0.084 5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.661 0.102 5.094 1.00 0.00 H new ATOM 670 N ARG A 48 8.105 0.966 7.915 1.00 0.00 N ATOM 671 CA ARG A 48 8.222 0.958 9.375 1.00 0.00 C ATOM 672 C ARG A 48 7.001 0.296 10.007 1.00 0.00 C ATOM 673 O ARG A 48 7.138 -0.560 10.884 1.00 0.00 O ATOM 674 CB ARG A 48 8.349 2.393 9.895 1.00 0.00 C ATOM 675 CG ARG A 48 9.724 2.950 9.523 1.00 0.00 C ATOM 676 CD ARG A 48 10.786 2.351 10.447 1.00 0.00 C ATOM 677 NE ARG A 48 11.990 3.187 10.446 1.00 0.00 N ATOM 678 CZ ARG A 48 12.856 3.220 9.414 1.00 0.00 C ATOM 679 NH1 ARG A 48 12.673 2.496 8.333 1.00 0.00 N ATOM 680 NH2 ARG A 48 13.903 3.994 9.490 1.00 0.00 N ATOM 0 H ARG A 48 7.250 1.397 7.563 1.00 0.00 H new ATOM 0 HA ARG A 48 9.112 0.390 9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.564 3.017 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.218 2.412 10.977 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.955 2.713 8.485 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.723 4.037 9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.392 2.269 11.460 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.035 1.342 10.120 1.00 0.00 H new ATOM 0 HE ARG A 48 12.181 3.769 11.262 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.858 1.888 8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.346 2.542 7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.057 4.563 10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.568 4.030 8.717 1.00 0.00 H new ATOM 694 N MET A 49 5.809 0.696 9.556 1.00 0.00 N ATOM 695 CA MET A 49 4.563 0.135 10.079 1.00 0.00 C ATOM 696 C MET A 49 4.005 -0.909 9.116 1.00 0.00 C ATOM 697 O MET A 49 3.597 -0.578 8.002 1.00 0.00 O ATOM 698 CB MET A 49 3.531 1.249 10.284 1.00 0.00 C ATOM 699 CG MET A 49 3.769 1.930 11.634 1.00 0.00 C ATOM 700 SD MET A 49 2.670 3.359 11.787 1.00 0.00 S ATOM 701 CE MET A 49 3.639 4.500 10.771 1.00 0.00 C ATOM 0 H MET A 49 5.682 1.404 8.833 1.00 0.00 H new ATOM 0 HA MET A 49 4.773 -0.342 11.036 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.606 1.980 9.479 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.523 0.836 10.247 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.585 1.227 12.446 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.809 2.246 11.716 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.020 5.309 11.395 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.475 3.965 10.320 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.007 4.914 9.986 1.00 0.00 H new ATOM 711 N SER A 50 3.996 -2.171 9.554 1.00 0.00 N ATOM 712 CA SER A 50 3.490 -3.260 8.725 1.00 0.00 C ATOM 713 C SER A 50 1.990 -3.477 8.971 1.00 0.00 C ATOM 714 O SER A 50 1.447 -2.957 9.946 1.00 0.00 O ATOM 715 CB SER A 50 4.247 -4.550 9.036 1.00 0.00 C ATOM 716 OG SER A 50 5.626 -4.252 9.215 1.00 0.00 O ATOM 0 H SER A 50 4.332 -2.459 10.473 1.00 0.00 H new ATOM 0 HA SER A 50 3.641 -2.991 7.679 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.843 -5.015 9.936 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.120 -5.265 8.223 1.00 0.00 H new ATOM 0 HG SER A 50 6.115 -5.077 9.417 1.00 0.00 H new ATOM 722 N PRO A 51 1.309 -4.232 8.115 1.00 0.00 N ATOM 723 CA PRO A 51 -0.158 -4.501 8.275 1.00 0.00 C ATOM 724 C PRO A 51 -0.483 -5.160 9.617 1.00 0.00 C ATOM 725 O PRO A 51 0.420 -5.557 10.357 1.00 0.00 O ATOM 726 CB PRO A 51 -0.503 -5.438 7.107 1.00 0.00 C ATOM 727 CG PRO A 51 0.596 -5.265 6.114 1.00 0.00 C ATOM 728 CD PRO A 51 1.845 -4.904 6.912 1.00 0.00 C ATOM 0 HA PRO A 51 -0.738 -3.578 8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.569 -6.473 7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.469 -5.182 6.671 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.751 -6.180 5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.352 -4.480 5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.424 -5.790 7.173 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.505 -4.247 6.347 1.00 0.00 H new ATOM 736 N MET A 52 -1.778 -5.271 9.918 1.00 0.00 N ATOM 737 CA MET A 52 -2.220 -5.882 11.170 1.00 0.00 C ATOM 738 C MET A 52 -2.298 -7.400 11.026 1.00 0.00 C ATOM 739 O MET A 52 -2.103 -7.936 9.933 1.00 0.00 O ATOM 740 CB MET A 52 -3.595 -5.336 11.560 1.00 0.00 C ATOM 741 CG MET A 52 -3.484 -3.842 11.873 1.00 0.00 C ATOM 742 SD MET A 52 -2.737 -3.624 13.507 1.00 0.00 S ATOM 743 CE MET A 52 -4.247 -3.857 14.478 1.00 0.00 C ATOM 0 H MET A 52 -2.534 -4.947 9.315 1.00 0.00 H new ATOM 0 HA MET A 52 -1.497 -5.637 11.948 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.305 -5.496 10.748 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.978 -5.872 12.428 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.879 -3.344 11.115 1.00 0.00 H new ATOM 0 HG3 MET A 52 -4.471 -3.380 11.847 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.583 -2.895 14.865 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.024 -4.285 13.845 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.044 -4.531 15.310 1.00 0.00 H new ATOM 753 N GLY A 53 -2.586 -8.083 12.136 1.00 0.00 N ATOM 754 CA GLY A 53 -2.691 -9.540 12.129 1.00 0.00 C ATOM 755 C GLY A 53 -1.313 -10.190 12.029 1.00 0.00 C ATOM 756 O GLY A 53 -1.157 -11.230 11.387 1.00 0.00 O ATOM 0 H GLY A 53 -2.750 -7.652 13.046 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.190 -9.876 13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.309 -9.859 11.290 1.00 0.00 H new ATOM 760 N THR A 54 -0.320 -9.569 12.669 1.00 0.00 N ATOM 761 CA THR A 54 1.043 -10.093 12.649 1.00 0.00 C ATOM 762 C THR A 54 1.303 -10.959 13.880 1.00 0.00 C ATOM 763 O THR A 54 0.619 -10.823 14.896 1.00 0.00 O ATOM 764 CB THR A 54 2.045 -8.937 12.616 1.00 0.00 C ATOM 765 OG1 THR A 54 1.670 -7.960 13.577 1.00 0.00 O ATOM 766 CG2 THR A 54 2.054 -8.309 11.222 1.00 0.00 C ATOM 0 H THR A 54 -0.435 -8.708 13.204 1.00 0.00 H new ATOM 0 HA THR A 54 1.164 -10.706 11.756 1.00 0.00 H new ATOM 0 HB THR A 54 3.042 -9.311 12.849 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.312 -7.220 13.558 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.768 -7.486 11.199 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.342 -9.060 10.486 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.058 -7.933 10.986 1.00 0.00 H new ATOM 774 N ALA A 55 2.295 -11.844 13.778 1.00 0.00 N ATOM 775 CA ALA A 55 2.643 -12.730 14.886 1.00 0.00 C ATOM 776 C ALA A 55 3.622 -12.042 15.833 1.00 0.00 C ATOM 777 O ALA A 55 4.539 -11.347 15.390 1.00 0.00 O ATOM 778 CB ALA A 55 3.267 -14.019 14.350 1.00 0.00 C ATOM 0 H ALA A 55 2.868 -11.965 12.943 1.00 0.00 H new ATOM 0 HA ALA A 55 1.732 -12.971 15.434 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.523 -14.673 15.183 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.555 -14.524 13.698 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.169 -13.780 13.786 1.00 0.00 H new ATOM 784 N SER A 56 3.419 -12.243 17.137 1.00 0.00 N ATOM 785 CA SER A 56 4.287 -11.640 18.143 1.00 0.00 C ATOM 786 C SER A 56 5.567 -12.457 18.307 1.00 0.00 C ATOM 787 O SER A 56 5.704 -13.529 17.711 1.00 0.00 O ATOM 788 CB SER A 56 3.555 -11.563 19.483 1.00 0.00 C ATOM 789 OG SER A 56 4.347 -10.833 20.411 1.00 0.00 O ATOM 0 H SER A 56 2.665 -12.816 17.516 1.00 0.00 H new ATOM 0 HA SER A 56 4.551 -10.635 17.813 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.587 -11.079 19.354 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.362 -12.566 19.863 1.00 0.00 H new ATOM 0 HG SER A 56 3.879 -10.781 21.270 1.00 0.00 H new ATOM 795 N GLY A 57 6.497 -11.943 19.114 1.00 0.00 N ATOM 796 CA GLY A 57 7.764 -12.631 19.350 1.00 0.00 C ATOM 797 C GLY A 57 8.838 -12.149 18.378 1.00 0.00 C ATOM 798 O GLY A 57 9.147 -12.831 17.400 1.00 0.00 O ATOM 0 H GLY A 57 6.396 -11.058 19.612 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.091 -12.456 20.375 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.624 -13.706 19.239 1.00 0.00 H new ATOM 802 N SER A 58 9.403 -10.972 18.659 1.00 0.00 N ATOM 803 CA SER A 58 10.448 -10.399 17.808 1.00 0.00 C ATOM 804 C SER A 58 11.722 -10.145 18.622 1.00 0.00 C ATOM 805 O SER A 58 12.436 -9.161 18.397 1.00 0.00 O ATOM 806 CB SER A 58 9.947 -9.088 17.189 1.00 0.00 C ATOM 807 OG SER A 58 10.645 -8.847 15.973 1.00 0.00 O ATOM 0 H SER A 58 9.155 -10.399 19.466 1.00 0.00 H new ATOM 0 HA SER A 58 10.683 -11.106 17.012 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.875 -9.147 17.001 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.104 -8.262 17.882 1.00 0.00 H new ATOM 0 HG SER A 58 10.327 -8.011 15.573 1.00 0.00 H new ATOM 813 N ASN A 59 12.002 -11.045 19.570 1.00 0.00 N ATOM 814 CA ASN A 59 13.190 -10.919 20.414 1.00 0.00 C ATOM 815 C ASN A 59 14.455 -11.202 19.609 1.00 0.00 C ATOM 816 O ASN A 59 14.559 -12.237 18.947 1.00 0.00 O ATOM 817 CB ASN A 59 13.104 -11.892 21.591 1.00 0.00 C ATOM 818 CG ASN A 59 12.071 -11.401 22.600 1.00 0.00 C ATOM 819 OD1 ASN A 59 10.870 -11.575 22.393 1.00 0.00 O ATOM 820 ND2 ASN A 59 12.469 -10.797 23.686 1.00 0.00 N ATOM 0 H ASN A 59 11.426 -11.862 19.770 1.00 0.00 H new ATOM 0 HA ASN A 59 13.234 -9.897 20.791 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.832 -12.885 21.233 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.079 -11.982 22.071 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.784 -10.467 24.366 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.465 -10.654 23.855 1.00 0.00 H new ATOM 827 N SER A 60 15.413 -10.275 19.671 1.00 0.00 N ATOM 828 CA SER A 60 16.671 -10.428 18.947 1.00 0.00 C ATOM 829 C SER A 60 17.766 -9.556 19.584 1.00 0.00 C ATOM 830 O SER A 60 17.944 -8.399 19.189 1.00 0.00 O ATOM 831 CB SER A 60 16.479 -10.038 17.479 1.00 0.00 C ATOM 832 OG SER A 60 15.723 -8.836 17.409 1.00 0.00 O ATOM 0 H SER A 60 15.340 -9.414 20.214 1.00 0.00 H new ATOM 0 HA SER A 60 16.981 -11.472 19.002 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.447 -9.901 16.997 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.966 -10.836 16.943 1.00 0.00 H new ATOM 0 HG SER A 60 16.154 -8.146 17.955 1.00 0.00 H new ATOM 838 N PRO A 61 18.499 -10.073 20.563 1.00 0.00 N ATOM 839 CA PRO A 61 19.581 -9.303 21.244 1.00 0.00 C ATOM 840 C PRO A 61 20.875 -9.282 20.432 1.00 0.00 C ATOM 841 O PRO A 61 20.891 -9.690 19.268 1.00 0.00 O ATOM 842 CB PRO A 61 19.771 -10.052 22.563 1.00 0.00 C ATOM 843 CG PRO A 61 19.413 -11.469 22.263 1.00 0.00 C ATOM 844 CD PRO A 61 18.386 -11.439 21.128 1.00 0.00 C ATOM 0 HA PRO A 61 19.320 -8.253 21.376 1.00 0.00 H new ATOM 0 HB2 PRO A 61 20.799 -9.972 22.917 1.00 0.00 H new ATOM 0 HB3 PRO A 61 19.132 -9.641 23.345 1.00 0.00 H new ATOM 0 HG2 PRO A 61 20.296 -12.036 21.969 1.00 0.00 H new ATOM 0 HG3 PRO A 61 18.999 -11.958 23.145 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.602 -12.199 20.377 1.00 0.00 H new ATOM 0 HD3 PRO A 61 17.379 -11.634 21.498 1.00 0.00 H new ATOM 852 N THR A 62 21.955 -8.803 21.056 1.00 0.00 N ATOM 853 CA THR A 62 23.253 -8.730 20.386 1.00 0.00 C ATOM 854 C THR A 62 24.375 -8.561 21.407 1.00 0.00 C ATOM 855 O THR A 62 24.198 -7.784 22.331 1.00 0.00 O ATOM 856 CB THR A 62 23.274 -7.563 19.386 1.00 0.00 C ATOM 857 OG1 THR A 62 24.577 -7.441 18.835 1.00 0.00 O ATOM 858 CG2 THR A 62 22.894 -6.250 20.084 1.00 0.00 C ATOM 859 OXT THR A 62 25.395 -9.212 21.251 1.00 0.00 O ATOM 0 H THR A 62 21.955 -8.463 22.018 1.00 0.00 H new ATOM 0 HA THR A 62 23.411 -9.663 19.844 1.00 0.00 H new ATOM 0 HB THR A 62 22.551 -7.764 18.596 1.00 0.00 H new ATOM 0 HG1 THR A 62 24.594 -6.699 18.196 1.00 0.00 H new ATOM 0 HG21 THR A 62 22.914 -5.435 19.361 1.00 0.00 H new ATOM 0 HG22 THR A 62 21.892 -6.338 20.504 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.606 -6.044 20.883 1.00 0.00 H new TER 867 THR A 62 HETATM 868 ZN ZN A 63 -10.395 6.883 -0.981 1.00 0.00 ZN