USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 1 ASN N :NH3+ 175:sc= 0.00101 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.589 X(o=-0.59,f=-0.87) USER MOD Single : A 9 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.024) USER MOD Single : A 14 ASN : amide:sc= -0.0853 K(o=-0.085,f=-2) USER MOD Single : A 15 THR OG1 : rot -110:sc= -0.788 USER MOD Single : A 18 THR OG1 : rot -111:sc= 1.32 USER MOD Single : A 21 MET CE :methyl 157:sc= -3.28 (180deg=-4.54!) USER MOD Single : A 22 MET CE :methyl -137:sc= -1.64 (180deg=-3.59!) USER MOD Single : A 24 SER OG : rot 160:sc= -1.19 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 42 SER OG : rot -61:sc= 0.699 USER MOD Single : A 43 MET CE :methyl -142:sc= -4.82! (180deg=-6.9!) USER MOD Single : A 44 GLN : amide:sc= -0.0487 K(o=-0.049,f=-0.55) USER MOD Single : A 46 ASN : amide:sc= -2.28 K(o=-2.3,f=-7.1!) USER MOD Single : A 53 THR OG1 : rot 112:sc= 1.21 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 56 MET CE :methyl 157:sc= -0.133 (180deg=-0.26) USER MOD Single : A 59 MET CE :methyl -166:sc= 0 (180deg=-0.235) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.49 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.309 -12.288 -5.630 1.00 0.00 N ATOM 2 CA ASN A 1 -14.057 -11.243 -4.597 1.00 0.00 C ATOM 3 C ASN A 1 -12.948 -10.311 -5.075 1.00 0.00 C ATOM 4 O ASN A 1 -13.136 -9.100 -5.180 1.00 0.00 O ATOM 5 CB ASN A 1 -13.633 -11.911 -3.288 1.00 0.00 C ATOM 6 CG ASN A 1 -14.866 -12.435 -2.560 1.00 0.00 C ATOM 7 OD1 ASN A 1 -15.463 -13.428 -2.975 1.00 0.00 O ATOM 8 ND2 ASN A 1 -15.287 -11.820 -1.490 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.004 -12.972 -5.269 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.679 -11.841 -6.493 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.420 -12.781 -5.849 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.968 -10.668 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.943 -12.730 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.102 -11.197 -2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -16.112 -12.162 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -14.792 -10.997 -1.147 1.00 0.00 H new ATOM 15 N GLN A 2 -11.787 -10.894 -5.367 1.00 0.00 N ATOM 16 CA GLN A 2 -10.645 -10.111 -5.836 1.00 0.00 C ATOM 17 C GLN A 2 -10.236 -9.080 -4.788 1.00 0.00 C ATOM 18 O GLN A 2 -10.859 -8.027 -4.654 1.00 0.00 O ATOM 19 CB GLN A 2 -10.989 -9.386 -7.139 1.00 0.00 C ATOM 20 CG GLN A 2 -9.702 -8.888 -7.801 1.00 0.00 C ATOM 21 CD GLN A 2 -8.972 -10.063 -8.442 1.00 0.00 C ATOM 22 OE1 GLN A 2 -9.489 -10.695 -9.365 1.00 0.00 O ATOM 23 NE2 GLN A 2 -7.789 -10.398 -8.005 1.00 0.00 N ATOM 0 H GLN A 2 -11.613 -11.896 -5.288 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.818 -10.799 -6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.520 -10.058 -7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.654 -8.547 -6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.936 -8.136 -8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.062 -8.409 -7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.361 -9.875 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.293 -11.183 -8.427 1.00 0.00 H new ATOM 32 N ALA A 3 -9.179 -9.397 -4.045 1.00 0.00 N ATOM 33 CA ALA A 3 -8.690 -8.493 -3.009 1.00 0.00 C ATOM 34 C ALA A 3 -7.861 -7.373 -3.628 1.00 0.00 C ATOM 35 O ALA A 3 -7.624 -7.350 -4.836 1.00 0.00 O ATOM 36 CB ALA A 3 -7.828 -9.250 -1.998 1.00 0.00 C ATOM 0 H ALA A 3 -8.650 -10.264 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.555 -8.068 -2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.473 -8.559 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.421 -10.035 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.975 -9.696 -2.509 1.00 0.00 H new ATOM 42 N SER A 4 -7.421 -6.443 -2.784 1.00 0.00 N ATOM 43 CA SER A 4 -6.616 -5.319 -3.255 1.00 0.00 C ATOM 44 C SER A 4 -5.428 -5.092 -2.327 1.00 0.00 C ATOM 45 O SER A 4 -5.160 -5.891 -1.430 1.00 0.00 O ATOM 46 CB SER A 4 -7.458 -4.044 -3.311 1.00 0.00 C ATOM 47 OG SER A 4 -8.821 -4.389 -3.527 1.00 0.00 O ATOM 0 H SER A 4 -7.606 -6.444 -1.781 1.00 0.00 H new ATOM 0 HA SER A 4 -6.255 -5.557 -4.256 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.355 -3.486 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.104 -3.396 -4.112 1.00 0.00 H new ATOM 0 HG SER A 4 -9.363 -3.573 -3.562 1.00 0.00 H new ATOM 53 N VAL A 5 -4.716 -3.990 -2.554 1.00 0.00 N ATOM 54 CA VAL A 5 -3.554 -3.663 -1.732 1.00 0.00 C ATOM 55 C VAL A 5 -3.762 -2.328 -1.026 1.00 0.00 C ATOM 56 O VAL A 5 -3.363 -1.278 -1.526 1.00 0.00 O ATOM 57 CB VAL A 5 -2.291 -3.576 -2.593 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.063 -3.448 -1.690 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.162 -4.841 -3.446 1.00 0.00 C ATOM 0 H VAL A 5 -4.920 -3.316 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.434 -4.455 -0.992 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.359 -2.704 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.165 -3.386 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.150 -2.547 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.998 -4.320 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.262 -4.777 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.097 -5.713 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.035 -4.935 -4.092 1.00 0.00 H new ATOM 69 N VAL A 6 -4.393 -2.378 0.144 1.00 0.00 N ATOM 70 CA VAL A 6 -4.647 -1.161 0.910 1.00 0.00 C ATOM 71 C VAL A 6 -3.483 -0.874 1.852 1.00 0.00 C ATOM 72 O VAL A 6 -2.766 -1.782 2.275 1.00 0.00 O ATOM 73 CB VAL A 6 -5.932 -1.300 1.730 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.271 0.038 2.391 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.081 -1.710 0.807 1.00 0.00 C ATOM 0 H VAL A 6 -4.734 -3.236 0.578 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.757 -0.337 0.205 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.787 -2.058 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.186 -0.066 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.454 0.336 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.414 0.798 1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.997 -1.810 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.220 -0.949 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.846 -2.664 0.335 1.00 0.00 H new ATOM 85 N ALA A 7 -3.304 0.404 2.175 1.00 0.00 N ATOM 86 CA ALA A 7 -2.224 0.809 3.071 1.00 0.00 C ATOM 87 C ALA A 7 -2.581 0.475 4.516 1.00 0.00 C ATOM 88 O ALA A 7 -3.601 0.925 5.038 1.00 0.00 O ATOM 89 CB ALA A 7 -1.969 2.314 2.955 1.00 0.00 C ATOM 0 H ALA A 7 -3.885 1.170 1.834 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.324 0.266 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.161 2.599 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.689 2.558 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.875 2.858 3.223 1.00 0.00 H new ATOM 95 N ASN A 8 -1.730 -0.323 5.155 1.00 0.00 N ATOM 96 CA ASN A 8 -1.966 -0.715 6.543 1.00 0.00 C ATOM 97 C ASN A 8 -1.129 0.138 7.493 1.00 0.00 C ATOM 98 O ASN A 8 -0.724 -0.316 8.562 1.00 0.00 O ATOM 99 CB ASN A 8 -1.606 -2.188 6.751 1.00 0.00 C ATOM 100 CG ASN A 8 -2.139 -2.657 8.101 1.00 0.00 C ATOM 101 OD1 ASN A 8 -1.371 -2.875 9.037 1.00 0.00 O ATOM 102 ND2 ASN A 8 -3.423 -2.826 8.259 1.00 0.00 N ATOM 0 H ASN A 8 -0.881 -0.707 4.741 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.024 -0.563 6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.031 -2.794 5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.525 -2.318 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.789 -3.139 9.158 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.060 -2.645 7.483 1.00 0.00 H new ATOM 109 N GLN A 9 -0.876 1.381 7.090 1.00 0.00 N ATOM 110 CA GLN A 9 -0.086 2.297 7.911 1.00 0.00 C ATOM 111 C GLN A 9 0.049 3.646 7.208 1.00 0.00 C ATOM 112 O GLN A 9 -0.266 3.782 6.026 1.00 0.00 O ATOM 113 CB GLN A 9 1.314 1.718 8.174 1.00 0.00 C ATOM 114 CG GLN A 9 1.400 1.199 9.614 1.00 0.00 C ATOM 115 CD GLN A 9 2.070 2.246 10.499 1.00 0.00 C ATOM 116 OE1 GLN A 9 1.504 2.670 11.506 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.253 2.694 10.177 1.00 0.00 N ATOM 0 H GLN A 9 -1.203 1.775 6.208 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.599 2.431 8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.520 0.909 7.473 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.071 2.484 8.008 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.402 0.976 9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.967 0.268 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.722 2.342 9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.709 3.396 10.760 1.00 0.00 H new ATOM 126 N LEU A 10 0.523 4.641 7.952 1.00 0.00 N ATOM 127 CA LEU A 10 0.699 5.979 7.393 1.00 0.00 C ATOM 128 C LEU A 10 1.887 6.004 6.437 1.00 0.00 C ATOM 129 O LEU A 10 3.041 6.034 6.859 1.00 0.00 O ATOM 130 CB LEU A 10 0.935 6.999 8.508 1.00 0.00 C ATOM 131 CG LEU A 10 0.865 8.413 7.930 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.569 8.717 7.494 1.00 0.00 C ATOM 133 CD2 LEU A 10 1.297 9.421 8.997 1.00 0.00 C ATOM 0 H LEU A 10 0.790 4.549 8.932 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.210 6.239 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.186 6.877 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.908 6.831 8.969 1.00 0.00 H new ATOM 0 HG LEU A 10 1.529 8.486 7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.618 9.725 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.878 7.999 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.234 8.644 8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.248 10.429 8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.632 9.347 9.858 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.319 9.206 9.308 1.00 0.00 H new ATOM 145 N ILE A 11 1.587 5.990 5.141 1.00 0.00 N ATOM 146 CA ILE A 11 2.634 6.011 4.123 1.00 0.00 C ATOM 147 C ILE A 11 2.874 7.449 3.638 1.00 0.00 C ATOM 148 O ILE A 11 2.027 8.013 2.945 1.00 0.00 O ATOM 149 CB ILE A 11 2.230 5.148 2.924 1.00 0.00 C ATOM 150 CG1 ILE A 11 1.835 3.747 3.405 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.406 5.036 1.952 1.00 0.00 C ATOM 152 CD1 ILE A 11 0.978 3.064 2.340 1.00 0.00 C ATOM 0 H ILE A 11 0.636 5.964 4.773 1.00 0.00 H new ATOM 0 HA ILE A 11 3.547 5.615 4.568 1.00 0.00 H new ATOM 0 HB ILE A 11 1.382 5.611 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.728 3.154 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.283 3.815 4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.116 4.421 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.686 6.030 1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.254 4.576 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.697 2.068 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.078 3.654 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.546 2.982 1.413 1.00 0.00 H new ATOM 164 N PRO A 12 4.018 8.071 3.985 1.00 0.00 N ATOM 165 CA PRO A 12 4.309 9.450 3.553 1.00 0.00 C ATOM 166 C PRO A 12 4.866 9.516 2.132 1.00 0.00 C ATOM 167 O PRO A 12 5.257 8.500 1.556 1.00 0.00 O ATOM 168 CB PRO A 12 5.356 9.897 4.565 1.00 0.00 C ATOM 169 CG PRO A 12 6.022 8.637 5.104 1.00 0.00 C ATOM 170 CD PRO A 12 5.084 7.461 4.814 1.00 0.00 C ATOM 0 HA PRO A 12 3.417 10.075 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.091 10.551 4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.894 10.464 5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.990 8.482 4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.204 8.727 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.597 6.659 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.683 7.031 5.732 1.00 0.00 H new ATOM 178 N ILE A 13 4.893 10.723 1.577 1.00 0.00 N ATOM 179 CA ILE A 13 5.403 10.917 0.222 1.00 0.00 C ATOM 180 C ILE A 13 6.928 10.787 0.203 1.00 0.00 C ATOM 181 O ILE A 13 7.597 11.008 1.213 1.00 0.00 O ATOM 182 CB ILE A 13 4.982 12.293 -0.316 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.433 12.428 -1.774 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.613 13.407 0.532 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.938 13.757 -2.351 1.00 0.00 C ATOM 0 H ILE A 13 4.572 11.574 2.038 1.00 0.00 H new ATOM 0 HA ILE A 13 4.979 10.146 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 13 3.897 12.384 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.520 12.378 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.043 11.598 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.308 14.378 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.280 13.310 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.699 13.324 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.262 13.847 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.849 13.790 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.350 14.582 -1.770 1.00 0.00 H new ATOM 197 N ASN A 14 7.465 10.426 -0.959 1.00 0.00 N ATOM 198 CA ASN A 14 8.911 10.267 -1.107 1.00 0.00 C ATOM 199 C ASN A 14 9.432 9.191 -0.157 1.00 0.00 C ATOM 200 O ASN A 14 10.559 9.266 0.331 1.00 0.00 O ATOM 201 CB ASN A 14 9.630 11.585 -0.811 1.00 0.00 C ATOM 202 CG ASN A 14 9.666 12.440 -2.074 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.754 12.380 -2.898 1.00 0.00 O ATOM 204 ND2 ASN A 14 10.676 13.242 -2.275 1.00 0.00 N ATOM 0 H ASN A 14 6.928 10.239 -1.806 1.00 0.00 H new ATOM 0 HA ASN A 14 9.111 9.969 -2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.117 12.120 -0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.644 11.388 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.709 13.819 -3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.432 13.291 -1.592 1.00 0.00 H new ATOM 211 N THR A 15 8.594 8.189 0.098 1.00 0.00 N ATOM 212 CA THR A 15 8.977 7.099 0.992 1.00 0.00 C ATOM 213 C THR A 15 8.649 5.751 0.358 1.00 0.00 C ATOM 214 O THR A 15 7.670 5.615 -0.375 1.00 0.00 O ATOM 215 CB THR A 15 8.237 7.215 2.326 1.00 0.00 C ATOM 216 OG1 THR A 15 8.374 8.536 2.829 1.00 0.00 O ATOM 217 CG2 THR A 15 8.826 6.221 3.328 1.00 0.00 C ATOM 0 H THR A 15 7.657 8.109 -0.296 1.00 0.00 H new ATOM 0 HA THR A 15 10.051 7.168 1.166 1.00 0.00 H new ATOM 0 HB THR A 15 7.181 6.991 2.176 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.953 8.527 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.298 6.305 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.718 5.208 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.883 6.441 3.480 1.00 0.00 H new ATOM 225 N ALA A 16 9.482 4.756 0.648 1.00 0.00 N ATOM 226 CA ALA A 16 9.275 3.417 0.102 1.00 0.00 C ATOM 227 C ALA A 16 8.247 2.658 0.932 1.00 0.00 C ATOM 228 O ALA A 16 8.128 2.862 2.140 1.00 0.00 O ATOM 229 CB ALA A 16 10.588 2.632 0.093 1.00 0.00 C ATOM 0 H ALA A 16 10.299 4.849 1.252 1.00 0.00 H new ATOM 0 HA ALA A 16 8.911 3.523 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.414 1.637 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.320 3.155 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.966 2.544 1.111 1.00 0.00 H new ATOM 235 N LEU A 17 7.504 1.776 0.268 1.00 0.00 N ATOM 236 CA LEU A 17 6.484 0.984 0.951 1.00 0.00 C ATOM 237 C LEU A 17 7.122 -0.202 1.667 1.00 0.00 C ATOM 238 O LEU A 17 8.301 -0.501 1.474 1.00 0.00 O ATOM 239 CB LEU A 17 5.449 0.466 -0.048 1.00 0.00 C ATOM 240 CG LEU A 17 4.761 1.650 -0.730 1.00 0.00 C ATOM 241 CD1 LEU A 17 3.927 1.145 -1.910 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.848 2.355 0.275 1.00 0.00 C ATOM 0 H LEU A 17 7.587 1.593 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 17 5.992 1.627 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.932 -0.166 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.711 -0.152 0.464 1.00 0.00 H new ATOM 0 HG LEU A 17 5.514 2.350 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.437 1.988 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.577 0.641 -2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.173 0.445 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.357 3.199 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.094 1.655 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.441 2.714 1.116 1.00 0.00 H new ATOM 254 N THR A 18 6.329 -0.875 2.494 1.00 0.00 N ATOM 255 CA THR A 18 6.822 -2.032 3.236 1.00 0.00 C ATOM 256 C THR A 18 5.690 -3.021 3.494 1.00 0.00 C ATOM 257 O THR A 18 4.520 -2.722 3.257 1.00 0.00 O ATOM 258 CB THR A 18 7.417 -1.596 4.577 1.00 0.00 C ATOM 259 OG1 THR A 18 6.382 -1.094 5.412 1.00 0.00 O ATOM 260 CG2 THR A 18 8.463 -0.504 4.345 1.00 0.00 C ATOM 0 H THR A 18 5.351 -0.643 2.667 1.00 0.00 H new ATOM 0 HA THR A 18 7.595 -2.511 2.635 1.00 0.00 H new ATOM 0 HB THR A 18 7.891 -2.451 5.059 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.491 -0.126 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.885 -0.195 5.301 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.257 -0.890 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.993 0.353 3.862 1.00 0.00 H new ATOM 268 N LEU A 19 6.052 -4.203 3.984 1.00 0.00 N ATOM 269 CA LEU A 19 5.057 -5.233 4.274 1.00 0.00 C ATOM 270 C LEU A 19 4.088 -4.745 5.347 1.00 0.00 C ATOM 271 O LEU A 19 2.900 -5.064 5.323 1.00 0.00 O ATOM 272 CB LEU A 19 5.737 -6.515 4.760 1.00 0.00 C ATOM 273 CG LEU A 19 6.052 -7.411 3.561 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.437 -7.062 3.012 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.033 -8.876 4.001 1.00 0.00 C ATOM 0 H LEU A 19 7.015 -4.471 4.187 1.00 0.00 H new ATOM 0 HA LEU A 19 4.509 -5.442 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.654 -6.272 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.088 -7.041 5.460 1.00 0.00 H new ATOM 0 HG LEU A 19 5.304 -7.254 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.661 -7.701 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.452 -6.018 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.186 -7.218 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.257 -9.515 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.781 -9.032 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.047 -9.126 4.392 1.00 0.00 H new ATOM 287 N VAL A 20 4.612 -3.961 6.285 1.00 0.00 N ATOM 288 CA VAL A 20 3.788 -3.425 7.365 1.00 0.00 C ATOM 289 C VAL A 20 2.832 -2.360 6.829 1.00 0.00 C ATOM 290 O VAL A 20 1.751 -2.146 7.377 1.00 0.00 O ATOM 291 CB VAL A 20 4.667 -2.803 8.454 1.00 0.00 C ATOM 292 CG1 VAL A 20 3.802 -2.425 9.658 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.731 -3.813 8.892 1.00 0.00 C ATOM 0 H VAL A 20 5.593 -3.685 6.320 1.00 0.00 H new ATOM 0 HA VAL A 20 3.214 -4.249 7.789 1.00 0.00 H new ATOM 0 HB VAL A 20 5.152 -1.910 8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.429 -1.983 10.432 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.044 -1.705 9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.316 -3.318 10.051 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.356 -3.370 9.667 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.245 -4.706 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.350 -4.083 8.037 1.00 0.00 H new ATOM 303 N MET A 21 3.244 -1.691 5.751 1.00 0.00 N ATOM 304 CA MET A 21 2.417 -0.648 5.149 1.00 0.00 C ATOM 305 C MET A 21 1.620 -1.198 3.966 1.00 0.00 C ATOM 306 O MET A 21 1.299 -0.470 3.027 1.00 0.00 O ATOM 307 CB MET A 21 3.297 0.505 4.666 1.00 0.00 C ATOM 308 CG MET A 21 3.997 1.142 5.867 1.00 0.00 C ATOM 309 SD MET A 21 5.636 1.737 5.377 1.00 0.00 S ATOM 310 CE MET A 21 5.083 3.152 4.397 1.00 0.00 C ATOM 0 H MET A 21 4.136 -1.851 5.282 1.00 0.00 H new ATOM 0 HA MET A 21 1.722 -0.290 5.908 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.035 0.140 3.952 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.691 1.248 4.147 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.400 1.969 6.251 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.090 0.414 6.673 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.885 3.887 4.335 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.818 2.818 3.394 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.212 3.605 4.871 1.00 0.00 H new ATOM 320 N MET A 22 1.302 -2.490 4.022 1.00 0.00 N ATOM 321 CA MET A 22 0.539 -3.125 2.950 1.00 0.00 C ATOM 322 C MET A 22 -0.297 -4.274 3.507 1.00 0.00 C ATOM 323 O MET A 22 0.078 -4.914 4.488 1.00 0.00 O ATOM 324 CB MET A 22 1.478 -3.669 1.871 1.00 0.00 C ATOM 325 CG MET A 22 2.052 -2.506 1.060 1.00 0.00 C ATOM 326 SD MET A 22 2.394 -3.059 -0.631 1.00 0.00 S ATOM 327 CE MET A 22 3.534 -4.399 -0.206 1.00 0.00 C ATOM 0 H MET A 22 1.558 -3.112 4.789 1.00 0.00 H new ATOM 0 HA MET A 22 -0.117 -2.373 2.511 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.285 -4.239 2.330 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.938 -4.352 1.215 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.347 -1.675 1.047 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.967 -2.140 1.526 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.385 -4.382 -0.887 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.885 -4.267 0.817 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.019 -5.356 -0.292 1.00 0.00 H new ATOM 337 N ARG A 23 -1.436 -4.529 2.867 1.00 0.00 N ATOM 338 CA ARG A 23 -2.319 -5.607 3.308 1.00 0.00 C ATOM 339 C ARG A 23 -3.263 -6.020 2.184 1.00 0.00 C ATOM 340 O ARG A 23 -3.390 -5.328 1.173 1.00 0.00 O ATOM 341 CB ARG A 23 -3.145 -5.163 4.518 1.00 0.00 C ATOM 342 CG ARG A 23 -3.902 -3.877 4.179 1.00 0.00 C ATOM 343 CD ARG A 23 -5.192 -3.813 4.999 1.00 0.00 C ATOM 344 NE ARG A 23 -5.701 -2.444 5.054 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.831 -2.160 5.693 1.00 0.00 C ATOM 346 NH1 ARG A 23 -7.978 -2.293 5.083 1.00 0.00 N ATOM 347 NH2 ARG A 23 -6.795 -1.747 6.931 1.00 0.00 N ATOM 0 H ARG A 23 -1.766 -4.012 2.052 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.696 -6.457 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.848 -5.947 4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.493 -4.998 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.279 -3.009 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.134 -3.849 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.943 -4.468 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.005 -4.178 6.009 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.181 -1.696 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.007 -2.615 4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.845 -2.075 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.899 -1.642 7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.662 -1.529 7.421 1.00 0.00 H new ATOM 361 N SER A 24 -3.927 -7.157 2.374 1.00 0.00 N ATOM 362 CA SER A 24 -4.862 -7.661 1.372 1.00 0.00 C ATOM 363 C SER A 24 -6.299 -7.492 1.857 1.00 0.00 C ATOM 364 O SER A 24 -6.780 -8.255 2.696 1.00 0.00 O ATOM 365 CB SER A 24 -4.604 -9.142 1.095 1.00 0.00 C ATOM 366 OG SER A 24 -3.466 -9.270 0.252 1.00 0.00 O ATOM 0 H SER A 24 -3.837 -7.742 3.204 1.00 0.00 H new ATOM 0 HA SER A 24 -4.714 -7.090 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.440 -9.676 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.476 -9.592 0.620 1.00 0.00 H new ATOM 0 HG SER A 24 -3.104 -10.178 0.327 1.00 0.00 H new ATOM 372 N GLU A 25 -6.980 -6.484 1.320 1.00 0.00 N ATOM 373 CA GLU A 25 -8.365 -6.222 1.707 1.00 0.00 C ATOM 374 C GLU A 25 -9.185 -5.782 0.497 1.00 0.00 C ATOM 375 O GLU A 25 -8.677 -5.121 -0.408 1.00 0.00 O ATOM 376 CB GLU A 25 -8.424 -5.128 2.774 1.00 0.00 C ATOM 377 CG GLU A 25 -9.797 -5.148 3.450 1.00 0.00 C ATOM 378 CD GLU A 25 -9.893 -6.360 4.370 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.363 -6.290 5.467 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.497 -7.340 3.966 1.00 0.00 O ATOM 0 H GLU A 25 -6.602 -5.841 0.624 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.781 -7.145 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.640 -5.285 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.244 -4.153 2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.946 -4.232 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.584 -5.186 2.697 1.00 0.00 H new ATOM 387 N VAL A 26 -10.460 -6.158 0.496 1.00 0.00 N ATOM 388 CA VAL A 26 -11.351 -5.798 -0.606 1.00 0.00 C ATOM 389 C VAL A 26 -11.875 -4.377 -0.421 1.00 0.00 C ATOM 390 O VAL A 26 -12.442 -4.039 0.619 1.00 0.00 O ATOM 391 CB VAL A 26 -12.537 -6.763 -0.677 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.343 -6.492 -1.949 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.022 -8.205 -0.702 1.00 0.00 C ATOM 0 H VAL A 26 -10.898 -6.706 1.237 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.781 -5.859 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.173 -6.617 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.187 -7.180 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.711 -5.466 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.706 -6.637 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.867 -8.892 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.385 -8.349 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.448 -8.402 0.203 1.00 0.00 H new ATOM 403 N VAL A 27 -11.680 -3.549 -1.443 1.00 0.00 N ATOM 404 CA VAL A 27 -12.137 -2.163 -1.387 1.00 0.00 C ATOM 405 C VAL A 27 -12.409 -1.635 -2.792 1.00 0.00 C ATOM 406 O VAL A 27 -11.869 -2.139 -3.776 1.00 0.00 O ATOM 407 CB VAL A 27 -11.084 -1.279 -0.719 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.935 -1.680 0.750 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.741 -1.457 -1.432 1.00 0.00 C ATOM 0 H VAL A 27 -11.214 -3.809 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.057 -2.136 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.395 -0.236 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.184 -1.049 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.890 -1.554 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.625 -2.723 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.990 -0.827 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.432 -2.500 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.844 -1.171 -2.479 1.00 0.00 H new ATOM 419 N THR A 28 -13.254 -0.611 -2.873 1.00 0.00 N ATOM 420 CA THR A 28 -13.592 -0.017 -4.162 1.00 0.00 C ATOM 421 C THR A 28 -12.973 1.381 -4.284 1.00 0.00 C ATOM 422 O THR A 28 -12.879 2.105 -3.293 1.00 0.00 O ATOM 423 CB THR A 28 -15.110 0.094 -4.319 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.412 0.796 -5.517 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.694 0.847 -3.122 1.00 0.00 C ATOM 0 H THR A 28 -13.713 -0.179 -2.071 1.00 0.00 H new ATOM 0 HA THR A 28 -13.193 -0.661 -4.946 1.00 0.00 H new ATOM 0 HB THR A 28 -15.545 -0.904 -4.365 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.384 0.866 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.775 0.926 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.463 0.306 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.260 1.846 -3.074 1.00 0.00 H new ATOM 433 N PRO A 29 -12.541 1.785 -5.493 1.00 0.00 N ATOM 434 CA PRO A 29 -12.627 0.963 -6.722 1.00 0.00 C ATOM 435 C PRO A 29 -11.510 -0.075 -6.810 1.00 0.00 C ATOM 436 O PRO A 29 -10.489 0.030 -6.130 1.00 0.00 O ATOM 437 CB PRO A 29 -12.486 2.005 -7.823 1.00 0.00 C ATOM 438 CG PRO A 29 -11.759 3.199 -7.215 1.00 0.00 C ATOM 439 CD PRO A 29 -11.928 3.113 -5.695 1.00 0.00 C ATOM 0 HA PRO A 29 -13.546 0.380 -6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.926 1.601 -8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.464 2.301 -8.202 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.703 3.184 -7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.172 4.134 -7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.971 3.197 -5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.566 3.912 -5.316 1.00 0.00 H new ATOM 447 N VAL A 30 -11.718 -1.081 -7.654 1.00 0.00 N ATOM 448 CA VAL A 30 -10.726 -2.138 -7.824 1.00 0.00 C ATOM 449 C VAL A 30 -9.416 -1.557 -8.362 1.00 0.00 C ATOM 450 O VAL A 30 -9.348 -1.080 -9.494 1.00 0.00 O ATOM 451 CB VAL A 30 -11.258 -3.219 -8.782 1.00 0.00 C ATOM 452 CG1 VAL A 30 -11.522 -2.612 -10.163 1.00 0.00 C ATOM 453 CG2 VAL A 30 -10.234 -4.352 -8.909 1.00 0.00 C ATOM 0 H VAL A 30 -12.556 -1.187 -8.226 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.534 -2.593 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.190 -3.617 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.898 -3.384 -10.834 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.261 -1.816 -10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.595 -2.203 -10.564 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.617 -5.114 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.298 -3.954 -9.300 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.058 -4.795 -7.929 1.00 0.00 H new ATOM 463 N GLY A 31 -8.378 -1.609 -7.532 1.00 0.00 N ATOM 464 CA GLY A 31 -7.072 -1.090 -7.927 1.00 0.00 C ATOM 465 C GLY A 31 -6.078 -2.230 -8.117 1.00 0.00 C ATOM 466 O GLY A 31 -6.332 -3.177 -8.861 1.00 0.00 O ATOM 0 H GLY A 31 -8.414 -2.001 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.165 -0.523 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.703 -0.401 -7.167 1.00 0.00 H new ATOM 470 N ILE A 32 -4.944 -2.132 -7.429 1.00 0.00 N ATOM 471 CA ILE A 32 -3.917 -3.166 -7.524 1.00 0.00 C ATOM 472 C ILE A 32 -4.363 -4.417 -6.754 1.00 0.00 C ATOM 473 O ILE A 32 -4.931 -4.303 -5.667 1.00 0.00 O ATOM 474 CB ILE A 32 -2.595 -2.659 -6.942 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.215 -1.338 -7.618 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.494 -3.694 -7.191 1.00 0.00 C ATOM 477 CD1 ILE A 32 -1.054 -0.687 -6.862 1.00 0.00 C ATOM 0 H ILE A 32 -4.714 -1.357 -6.807 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.772 -3.415 -8.575 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.708 -2.501 -5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.931 -1.517 -8.655 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.073 -0.666 -7.634 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.553 -3.332 -6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.764 -4.635 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.380 -3.853 -8.263 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.786 0.252 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.354 -0.493 -5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.194 -1.357 -6.869 1.00 0.00 H new ATOM 489 N PRO A 33 -4.123 -5.627 -7.294 1.00 0.00 N ATOM 490 CA PRO A 33 -4.527 -6.871 -6.614 1.00 0.00 C ATOM 491 C PRO A 33 -3.530 -7.307 -5.542 1.00 0.00 C ATOM 492 O PRO A 33 -2.450 -6.733 -5.407 1.00 0.00 O ATOM 493 CB PRO A 33 -4.560 -7.874 -7.760 1.00 0.00 C ATOM 494 CG PRO A 33 -3.637 -7.339 -8.850 1.00 0.00 C ATOM 495 CD PRO A 33 -3.445 -5.840 -8.595 1.00 0.00 C ATOM 0 HA PRO A 33 -5.471 -6.767 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.229 -8.856 -7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.575 -7.993 -8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.678 -7.857 -8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.070 -7.508 -9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.390 -5.572 -8.547 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.892 -5.237 -9.385 1.00 0.00 H new ATOM 503 N ALA A 34 -3.911 -8.331 -4.782 1.00 0.00 N ATOM 504 CA ALA A 34 -3.048 -8.844 -3.720 1.00 0.00 C ATOM 505 C ALA A 34 -1.915 -9.715 -4.278 1.00 0.00 C ATOM 506 O ALA A 34 -1.072 -10.200 -3.524 1.00 0.00 O ATOM 507 CB ALA A 34 -3.864 -9.675 -2.729 1.00 0.00 C ATOM 0 H ALA A 34 -4.802 -8.818 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.610 -7.981 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.209 -10.051 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.642 -9.053 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.324 -10.514 -3.250 1.00 0.00 H new ATOM 513 N GLU A 35 -1.892 -9.914 -5.600 1.00 0.00 N ATOM 514 CA GLU A 35 -0.846 -10.730 -6.213 1.00 0.00 C ATOM 515 C GLU A 35 0.425 -9.913 -6.481 1.00 0.00 C ATOM 516 O GLU A 35 1.369 -10.412 -7.094 1.00 0.00 O ATOM 517 CB GLU A 35 -1.342 -11.320 -7.535 1.00 0.00 C ATOM 518 CG GLU A 35 -1.817 -10.192 -8.453 1.00 0.00 C ATOM 519 CD GLU A 35 -1.517 -10.554 -9.903 1.00 0.00 C ATOM 520 OE1 GLU A 35 -0.375 -10.874 -10.189 1.00 0.00 O ATOM 521 OE2 GLU A 35 -2.433 -10.506 -10.706 1.00 0.00 O ATOM 0 H GLU A 35 -2.573 -9.528 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.606 -11.529 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.542 -11.883 -8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.157 -12.020 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.887 -10.029 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.318 -9.260 -8.189 1.00 0.00 H new ATOM 528 N ASP A 36 0.453 -8.658 -6.021 1.00 0.00 N ATOM 529 CA ASP A 36 1.626 -7.815 -6.232 1.00 0.00 C ATOM 530 C ASP A 36 2.108 -7.227 -4.909 1.00 0.00 C ATOM 531 O ASP A 36 2.644 -6.121 -4.863 1.00 0.00 O ATOM 532 CB ASP A 36 1.299 -6.673 -7.197 1.00 0.00 C ATOM 533 CG ASP A 36 0.780 -7.249 -8.509 1.00 0.00 C ATOM 534 OD1 ASP A 36 1.541 -7.930 -9.177 1.00 0.00 O ATOM 535 OD2 ASP A 36 -0.372 -7.001 -8.828 1.00 0.00 O ATOM 0 H ASP A 36 -0.309 -8.213 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 36 2.413 -8.437 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.552 -6.013 -6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.189 -6.070 -7.379 1.00 0.00 H new ATOM 540 N ILE A 37 1.917 -7.984 -3.834 1.00 0.00 N ATOM 541 CA ILE A 37 2.340 -7.538 -2.512 1.00 0.00 C ATOM 542 C ILE A 37 3.873 -7.605 -2.365 1.00 0.00 C ATOM 543 O ILE A 37 4.482 -6.648 -1.886 1.00 0.00 O ATOM 544 CB ILE A 37 1.670 -8.382 -1.422 1.00 0.00 C ATOM 545 CG1 ILE A 37 0.151 -8.286 -1.584 1.00 0.00 C ATOM 546 CG2 ILE A 37 2.061 -7.858 -0.036 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.513 -9.497 -0.928 1.00 0.00 C ATOM 0 H ILE A 37 1.475 -8.903 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 37 2.032 -6.499 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 37 1.995 -9.418 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.216 -7.366 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.110 -8.244 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.580 -8.464 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.143 -7.915 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.739 -6.822 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.594 -9.427 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.155 -10.410 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.263 -9.519 0.133 1.00 0.00 H new ATOM 559 N PRO A 38 4.529 -8.711 -2.771 1.00 0.00 N ATOM 560 CA PRO A 38 5.999 -8.812 -2.654 1.00 0.00 C ATOM 561 C PRO A 38 6.727 -7.996 -3.721 1.00 0.00 C ATOM 562 O PRO A 38 7.875 -7.590 -3.536 1.00 0.00 O ATOM 563 CB PRO A 38 6.249 -10.303 -2.839 1.00 0.00 C ATOM 564 CG PRO A 38 5.060 -10.859 -3.608 1.00 0.00 C ATOM 565 CD PRO A 38 3.884 -9.910 -3.365 1.00 0.00 C ATOM 0 HA PRO A 38 6.371 -8.416 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.176 -10.474 -3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.351 -10.800 -1.874 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.287 -10.927 -4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.819 -11.866 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.363 -9.669 -4.292 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.148 -10.347 -2.690 1.00 0.00 H new ATOM 573 N ARG A 39 6.043 -7.753 -4.837 1.00 0.00 N ATOM 574 CA ARG A 39 6.629 -6.974 -5.924 1.00 0.00 C ATOM 575 C ARG A 39 6.540 -5.472 -5.633 1.00 0.00 C ATOM 576 O ARG A 39 7.258 -4.672 -6.233 1.00 0.00 O ATOM 577 CB ARG A 39 5.906 -7.268 -7.240 1.00 0.00 C ATOM 578 CG ARG A 39 6.498 -8.526 -7.877 1.00 0.00 C ATOM 579 CD ARG A 39 6.283 -8.481 -9.391 1.00 0.00 C ATOM 580 NE ARG A 39 6.350 -9.825 -9.961 1.00 0.00 N ATOM 581 CZ ARG A 39 5.585 -10.171 -10.990 1.00 0.00 C ATOM 582 NH1 ARG A 39 5.514 -9.399 -12.040 1.00 0.00 N ATOM 583 NH2 ARG A 39 4.902 -11.283 -10.951 1.00 0.00 N ATOM 0 H ARG A 39 5.093 -8.080 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 39 7.677 -7.260 -6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.840 -7.406 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.006 -6.422 -7.919 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.562 -8.594 -7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.026 -9.415 -7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.314 -8.034 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.040 -7.846 -9.852 1.00 0.00 H new ATOM 0 HE ARG A 39 6.994 -10.508 -9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.046 -8.529 -12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.926 -9.665 -12.830 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.956 -11.886 -10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.314 -11.549 -11.741 1.00 0.00 H new ATOM 597 N LEU A 40 5.651 -5.095 -4.710 1.00 0.00 N ATOM 598 CA LEU A 40 5.482 -3.686 -4.357 1.00 0.00 C ATOM 599 C LEU A 40 6.286 -3.341 -3.102 1.00 0.00 C ATOM 600 O LEU A 40 5.917 -2.449 -2.340 1.00 0.00 O ATOM 601 CB LEU A 40 3.999 -3.383 -4.104 1.00 0.00 C ATOM 602 CG LEU A 40 3.368 -2.755 -5.352 1.00 0.00 C ATOM 603 CD1 LEU A 40 3.464 -3.725 -6.539 1.00 0.00 C ATOM 604 CD2 LEU A 40 1.898 -2.441 -5.061 1.00 0.00 C ATOM 0 H LEU A 40 5.045 -5.738 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 40 5.845 -3.082 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.472 -4.301 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.898 -2.706 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 40 3.901 -1.838 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.013 -3.268 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.511 -3.948 -6.743 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.936 -4.648 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.440 -1.994 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.373 -3.362 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.833 -1.744 -4.226 1.00 0.00 H new ATOM 616 N VAL A 41 7.389 -4.055 -2.895 1.00 0.00 N ATOM 617 CA VAL A 41 8.232 -3.809 -1.729 1.00 0.00 C ATOM 618 C VAL A 41 9.234 -2.695 -2.025 1.00 0.00 C ATOM 619 O VAL A 41 9.913 -2.708 -3.051 1.00 0.00 O ATOM 620 CB VAL A 41 8.991 -5.079 -1.334 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.737 -4.846 -0.018 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.999 -6.231 -1.154 1.00 0.00 C ATOM 0 H VAL A 41 7.717 -4.799 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 41 7.587 -3.507 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 41 9.706 -5.329 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.276 -5.752 0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.445 -4.026 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.022 -4.594 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.539 -7.135 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.284 -5.977 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.467 -6.402 -2.090 1.00 0.00 H new ATOM 632 N SER A 42 9.316 -1.734 -1.109 1.00 0.00 N ATOM 633 CA SER A 42 10.238 -0.611 -1.270 1.00 0.00 C ATOM 634 C SER A 42 9.897 0.191 -2.524 1.00 0.00 C ATOM 635 O SER A 42 10.781 0.701 -3.213 1.00 0.00 O ATOM 636 CB SER A 42 11.681 -1.111 -1.371 1.00 0.00 C ATOM 637 OG SER A 42 12.565 0.002 -1.364 1.00 0.00 O ATOM 0 H SER A 42 8.761 -1.709 -0.254 1.00 0.00 H new ATOM 0 HA SER A 42 10.138 0.031 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.907 -1.775 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.814 -1.690 -2.285 1.00 0.00 H new ATOM 0 HG SER A 42 12.380 0.572 -2.140 1.00 0.00 H new ATOM 643 N MET A 43 8.602 0.303 -2.810 1.00 0.00 N ATOM 644 CA MET A 43 8.155 1.053 -3.981 1.00 0.00 C ATOM 645 C MET A 43 7.875 2.505 -3.604 1.00 0.00 C ATOM 646 O MET A 43 7.109 2.786 -2.684 1.00 0.00 O ATOM 647 CB MET A 43 6.884 0.434 -4.569 1.00 0.00 C ATOM 648 CG MET A 43 7.256 -0.795 -5.402 1.00 0.00 C ATOM 649 SD MET A 43 6.111 -0.959 -6.795 1.00 0.00 S ATOM 650 CE MET A 43 6.760 0.410 -7.786 1.00 0.00 C ATOM 0 H MET A 43 7.852 -0.110 -2.255 1.00 0.00 H new ATOM 0 HA MET A 43 8.949 1.015 -4.727 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.200 0.151 -3.769 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.364 1.164 -5.190 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.278 -0.702 -5.768 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.220 -1.691 -4.782 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.935 0.930 -8.273 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.296 1.105 -7.140 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.440 0.020 -8.543 1.00 0.00 H new ATOM 660 N GLN A 44 8.510 3.422 -4.328 1.00 0.00 N ATOM 661 CA GLN A 44 8.327 4.847 -4.062 1.00 0.00 C ATOM 662 C GLN A 44 7.026 5.344 -4.682 1.00 0.00 C ATOM 663 O GLN A 44 6.710 5.036 -5.830 1.00 0.00 O ATOM 664 CB GLN A 44 9.493 5.654 -4.639 1.00 0.00 C ATOM 665 CG GLN A 44 10.752 5.398 -3.807 1.00 0.00 C ATOM 666 CD GLN A 44 11.982 5.816 -4.604 1.00 0.00 C ATOM 667 OE1 GLN A 44 12.113 5.476 -5.780 1.00 0.00 O ATOM 668 NE2 GLN A 44 12.902 6.541 -4.028 1.00 0.00 N ATOM 0 H GLN A 44 9.148 3.209 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 44 8.290 4.984 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.667 5.371 -5.677 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.251 6.717 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.703 5.958 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.818 4.342 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.794 6.823 -3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.729 6.826 -4.552 1.00 0.00 H new ATOM 677 N VAL A 45 6.274 6.119 -3.905 1.00 0.00 N ATOM 678 CA VAL A 45 5.005 6.658 -4.384 1.00 0.00 C ATOM 679 C VAL A 45 5.207 8.054 -4.966 1.00 0.00 C ATOM 680 O VAL A 45 6.327 8.559 -5.032 1.00 0.00 O ATOM 681 CB VAL A 45 3.989 6.732 -3.242 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.653 5.318 -2.766 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.585 7.531 -2.080 1.00 0.00 C ATOM 0 H VAL A 45 6.518 6.386 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 45 4.627 5.993 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 45 3.082 7.223 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.929 5.370 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.230 4.747 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.560 4.828 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.862 7.584 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.492 7.040 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.826 8.539 -2.417 1.00 0.00 H new ATOM 693 N ASN A 46 4.107 8.671 -5.390 1.00 0.00 N ATOM 694 CA ASN A 46 4.174 10.011 -5.971 1.00 0.00 C ATOM 695 C ASN A 46 3.540 11.036 -5.035 1.00 0.00 C ATOM 696 O ASN A 46 3.959 12.192 -4.984 1.00 0.00 O ATOM 697 CB ASN A 46 3.454 10.053 -7.322 1.00 0.00 C ATOM 698 CG ASN A 46 2.053 9.468 -7.179 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.886 8.250 -7.102 1.00 0.00 O ATOM 700 ND2 ASN A 46 1.024 10.269 -7.140 1.00 0.00 N ATOM 0 H ASN A 46 3.170 8.272 -5.344 1.00 0.00 H new ATOM 0 HA ASN A 46 5.226 10.257 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.394 11.081 -7.681 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.020 9.489 -8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.083 9.886 -7.046 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.160 11.278 -7.204 1.00 0.00 H new ATOM 707 N ARG A 47 2.524 10.601 -4.294 1.00 0.00 N ATOM 708 CA ARG A 47 1.840 11.494 -3.361 1.00 0.00 C ATOM 709 C ARG A 47 1.664 10.819 -2.004 1.00 0.00 C ATOM 710 O ARG A 47 2.119 9.695 -1.789 1.00 0.00 O ATOM 711 CB ARG A 47 0.465 11.897 -3.906 1.00 0.00 C ATOM 712 CG ARG A 47 -0.384 10.643 -4.168 1.00 0.00 C ATOM 713 CD ARG A 47 -1.785 10.835 -3.578 1.00 0.00 C ATOM 714 NE ARG A 47 -2.394 12.063 -4.084 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.049 12.887 -3.270 1.00 0.00 C ATOM 716 NH1 ARG A 47 -4.006 12.430 -2.511 1.00 0.00 N ATOM 717 NH2 ARG A 47 -2.734 14.152 -3.232 1.00 0.00 N ATOM 0 H ARG A 47 2.159 9.649 -4.320 1.00 0.00 H new ATOM 0 HA ARG A 47 2.454 12.387 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.042 12.547 -3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.583 12.466 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.453 10.456 -5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.092 9.770 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.412 9.981 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.725 10.874 -2.490 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.316 12.292 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.253 11.441 -2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.508 13.062 -1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.986 14.509 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.236 14.784 -2.608 1.00 0.00 H new ATOM 731 N ALA A 48 0.997 11.520 -1.092 1.00 0.00 N ATOM 732 CA ALA A 48 0.762 10.984 0.246 1.00 0.00 C ATOM 733 C ALA A 48 -0.369 9.959 0.219 1.00 0.00 C ATOM 734 O ALA A 48 -1.454 10.220 -0.299 1.00 0.00 O ATOM 735 CB ALA A 48 0.391 12.108 1.213 1.00 0.00 C ATOM 0 H ALA A 48 0.613 12.451 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 48 1.680 10.503 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.219 11.692 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.205 12.832 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.516 12.603 0.865 1.00 0.00 H new ATOM 741 N VAL A 49 -0.098 8.788 0.789 1.00 0.00 N ATOM 742 CA VAL A 49 -1.095 7.721 0.832 1.00 0.00 C ATOM 743 C VAL A 49 -1.366 7.309 2.285 1.00 0.00 C ATOM 744 O VAL A 49 -0.580 6.565 2.873 1.00 0.00 O ATOM 745 CB VAL A 49 -0.601 6.498 0.052 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.724 5.462 -0.043 1.00 0.00 C ATOM 747 CG2 VAL A 49 -0.185 6.926 -1.358 1.00 0.00 C ATOM 0 H VAL A 49 0.795 8.554 1.224 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.014 8.094 0.379 1.00 0.00 H new ATOM 0 HB VAL A 49 0.254 6.061 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.371 4.593 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.022 5.156 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.579 5.899 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.167 6.056 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.040 7.364 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.615 7.663 -1.293 1.00 0.00 H new ATOM 757 N PRO A 50 -2.471 7.778 2.893 1.00 0.00 N ATOM 758 CA PRO A 50 -2.793 7.426 4.289 1.00 0.00 C ATOM 759 C PRO A 50 -3.428 6.044 4.416 1.00 0.00 C ATOM 760 O PRO A 50 -3.590 5.325 3.430 1.00 0.00 O ATOM 761 CB PRO A 50 -3.782 8.517 4.683 1.00 0.00 C ATOM 762 CG PRO A 50 -4.406 9.040 3.396 1.00 0.00 C ATOM 763 CD PRO A 50 -3.462 8.673 2.247 1.00 0.00 C ATOM 0 HA PRO A 50 -1.907 7.375 4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.548 8.120 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.277 9.320 5.220 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.390 8.599 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.545 10.120 3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.990 8.170 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.988 9.556 1.818 1.00 0.00 H new ATOM 771 N LEU A 51 -3.781 5.680 5.646 1.00 0.00 N ATOM 772 CA LEU A 51 -4.395 4.380 5.900 1.00 0.00 C ATOM 773 C LEU A 51 -5.773 4.301 5.250 1.00 0.00 C ATOM 774 O LEU A 51 -6.481 5.302 5.137 1.00 0.00 O ATOM 775 CB LEU A 51 -4.541 4.144 7.405 1.00 0.00 C ATOM 776 CG LEU A 51 -3.165 3.875 8.015 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.509 5.202 8.401 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.322 3.003 9.262 1.00 0.00 C ATOM 0 H LEU A 51 -3.654 6.260 6.475 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.748 3.614 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.996 5.014 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.204 3.298 7.589 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.540 3.359 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.528 5.010 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.397 5.824 7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.134 5.719 9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.341 2.811 9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.948 3.519 9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.789 2.057 8.988 1.00 0.00 H new ATOM 790 N GLY A 52 -6.144 3.096 4.825 1.00 0.00 N ATOM 791 CA GLY A 52 -7.440 2.888 4.186 1.00 0.00 C ATOM 792 C GLY A 52 -7.486 3.563 2.820 1.00 0.00 C ATOM 793 O GLY A 52 -8.395 4.339 2.524 1.00 0.00 O ATOM 0 H GLY A 52 -5.572 2.256 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.628 1.820 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.231 3.287 4.820 1.00 0.00 H new ATOM 797 N THR A 53 -6.494 3.257 1.990 1.00 0.00 N ATOM 798 CA THR A 53 -6.426 3.837 0.652 1.00 0.00 C ATOM 799 C THR A 53 -6.086 2.761 -0.374 1.00 0.00 C ATOM 800 O THR A 53 -5.024 2.141 -0.318 1.00 0.00 O ATOM 801 CB THR A 53 -5.361 4.937 0.597 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.589 5.866 1.648 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.436 5.659 -0.749 1.00 0.00 C ATOM 0 H THR A 53 -5.733 2.617 2.216 1.00 0.00 H new ATOM 0 HA THR A 53 -7.400 4.267 0.420 1.00 0.00 H new ATOM 0 HB THR A 53 -4.373 4.491 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.866 5.799 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.677 6.441 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.261 4.946 -1.555 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.423 6.106 -0.868 1.00 0.00 H new ATOM 811 N THR A 54 -7.004 2.545 -1.312 1.00 0.00 N ATOM 812 CA THR A 54 -6.796 1.540 -2.351 1.00 0.00 C ATOM 813 C THR A 54 -5.572 1.885 -3.192 1.00 0.00 C ATOM 814 O THR A 54 -5.631 2.735 -4.082 1.00 0.00 O ATOM 815 CB THR A 54 -8.021 1.451 -3.265 1.00 0.00 C ATOM 816 OG1 THR A 54 -9.201 1.599 -2.487 1.00 0.00 O ATOM 817 CG2 THR A 54 -8.039 0.095 -3.971 1.00 0.00 C ATOM 0 H THR A 54 -7.890 3.046 -1.375 1.00 0.00 H new ATOM 0 HA THR A 54 -6.639 0.579 -1.861 1.00 0.00 H new ATOM 0 HB THR A 54 -7.975 2.244 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.987 1.544 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.912 0.035 -4.621 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.134 -0.016 -4.568 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.084 -0.701 -3.228 1.00 0.00 H new ATOM 825 N LEU A 55 -4.462 1.213 -2.901 1.00 0.00 N ATOM 826 CA LEU A 55 -3.222 1.453 -3.635 1.00 0.00 C ATOM 827 C LEU A 55 -3.408 1.127 -5.114 1.00 0.00 C ATOM 828 O LEU A 55 -3.614 -0.026 -5.491 1.00 0.00 O ATOM 829 CB LEU A 55 -2.090 0.587 -3.076 1.00 0.00 C ATOM 830 CG LEU A 55 -0.743 1.161 -3.512 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.396 2.369 -2.639 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.340 0.092 -3.354 1.00 0.00 C ATOM 0 H LEU A 55 -4.394 0.505 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.964 2.506 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.147 0.553 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.193 -0.438 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.801 1.471 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.565 2.779 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.168 3.131 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.338 2.059 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.302 0.500 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.397 -0.217 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.094 -0.770 -3.974 1.00 0.00 H new ATOM 844 N MET A 56 -3.333 2.161 -5.947 1.00 0.00 N ATOM 845 CA MET A 56 -3.495 1.982 -7.386 1.00 0.00 C ATOM 846 C MET A 56 -2.127 1.859 -8.064 1.00 0.00 C ATOM 847 O MET A 56 -1.104 2.182 -7.462 1.00 0.00 O ATOM 848 CB MET A 56 -4.248 3.170 -7.989 1.00 0.00 C ATOM 849 CG MET A 56 -5.752 2.885 -7.966 1.00 0.00 C ATOM 850 SD MET A 56 -6.606 4.068 -9.037 1.00 0.00 S ATOM 851 CE MET A 56 -8.282 3.439 -8.776 1.00 0.00 C ATOM 0 H MET A 56 -3.163 3.123 -5.654 1.00 0.00 H new ATOM 0 HA MET A 56 -4.066 1.069 -7.553 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.030 4.077 -7.425 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.915 3.344 -9.012 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.945 1.867 -8.304 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.132 2.960 -6.947 1.00 0.00 H new ATOM 0 HE1 MET A 56 -9.004 4.226 -8.993 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.460 2.591 -9.438 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.394 3.120 -7.740 1.00 0.00 H new ATOM 861 N PRO A 57 -2.084 1.392 -9.324 1.00 0.00 N ATOM 862 CA PRO A 57 -0.811 1.243 -10.053 1.00 0.00 C ATOM 863 C PRO A 57 -0.305 2.565 -10.628 1.00 0.00 C ATOM 864 O PRO A 57 0.895 2.754 -10.828 1.00 0.00 O ATOM 865 CB PRO A 57 -1.182 0.272 -11.167 1.00 0.00 C ATOM 866 CG PRO A 57 -2.687 0.387 -11.377 1.00 0.00 C ATOM 867 CD PRO A 57 -3.282 0.989 -10.100 1.00 0.00 C ATOM 0 HA PRO A 57 0.000 0.899 -9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.645 0.514 -12.084 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.907 -0.748 -10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.907 1.018 -12.238 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.122 -0.592 -11.579 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.925 1.841 -10.319 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.888 0.263 -9.557 1.00 0.00 H new ATOM 875 N ASP A 58 -1.237 3.479 -10.888 1.00 0.00 N ATOM 876 CA ASP A 58 -0.877 4.785 -11.438 1.00 0.00 C ATOM 877 C ASP A 58 -0.269 5.684 -10.361 1.00 0.00 C ATOM 878 O ASP A 58 0.466 6.622 -10.665 1.00 0.00 O ATOM 879 CB ASP A 58 -2.109 5.476 -12.027 1.00 0.00 C ATOM 880 CG ASP A 58 -3.218 5.523 -10.983 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.966 6.027 -9.901 1.00 0.00 O ATOM 882 OD2 ASP A 58 -4.305 5.055 -11.280 1.00 0.00 O ATOM 0 H ASP A 58 -2.235 3.343 -10.729 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.139 4.620 -12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.854 6.486 -12.346 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.451 4.939 -12.912 1.00 0.00 H new ATOM 887 N MET A 59 -0.581 5.393 -9.096 1.00 0.00 N ATOM 888 CA MET A 59 -0.054 6.191 -7.990 1.00 0.00 C ATOM 889 C MET A 59 1.177 5.527 -7.376 1.00 0.00 C ATOM 890 O MET A 59 1.463 5.698 -6.191 1.00 0.00 O ATOM 891 CB MET A 59 -1.117 6.364 -6.903 1.00 0.00 C ATOM 892 CG MET A 59 -2.096 7.465 -7.315 1.00 0.00 C ATOM 893 SD MET A 59 -2.791 8.238 -5.834 1.00 0.00 S ATOM 894 CE MET A 59 -3.741 6.811 -5.257 1.00 0.00 C ATOM 0 H MET A 59 -1.187 4.622 -8.816 1.00 0.00 H new ATOM 0 HA MET A 59 0.226 7.166 -8.390 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.651 5.426 -6.750 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.644 6.620 -5.955 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.585 8.212 -7.923 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.894 7.046 -7.928 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.448 7.130 -4.491 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.286 6.374 -6.094 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.063 6.068 -4.838 1.00 0.00 H new ATOM 904 N VAL A 60 1.905 4.767 -8.193 1.00 0.00 N ATOM 905 CA VAL A 60 3.106 4.085 -7.716 1.00 0.00 C ATOM 906 C VAL A 60 4.192 4.122 -8.788 1.00 0.00 C ATOM 907 O VAL A 60 4.166 3.349 -9.747 1.00 0.00 O ATOM 908 CB VAL A 60 2.792 2.626 -7.363 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.022 1.966 -6.730 1.00 0.00 C ATOM 910 CG2 VAL A 60 1.629 2.585 -6.368 1.00 0.00 C ATOM 0 H VAL A 60 1.687 4.609 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 60 3.459 4.600 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 60 2.522 2.087 -8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.792 0.930 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.853 1.994 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.297 2.504 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.403 1.549 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.904 3.128 -5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.750 3.049 -6.816 1.00 0.00 H new ATOM 920 N LYS A 61 5.146 5.032 -8.614 1.00 0.00 N ATOM 921 CA LYS A 61 6.241 5.169 -9.572 1.00 0.00 C ATOM 922 C LYS A 61 7.091 3.902 -9.595 1.00 0.00 C ATOM 923 O LYS A 61 7.600 3.459 -8.566 1.00 0.00 O ATOM 924 CB LYS A 61 7.129 6.359 -9.204 1.00 0.00 C ATOM 925 CG LYS A 61 6.400 7.662 -9.535 1.00 0.00 C ATOM 926 CD LYS A 61 6.752 8.097 -10.960 1.00 0.00 C ATOM 927 CE LYS A 61 5.702 9.089 -11.464 1.00 0.00 C ATOM 928 NZ LYS A 61 6.320 9.995 -12.474 1.00 0.00 N ATOM 0 H LYS A 61 5.185 5.680 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 61 5.806 5.333 -10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.376 6.328 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.070 6.307 -9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.323 7.522 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.683 8.440 -8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.740 8.557 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.792 7.228 -11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.862 8.553 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.306 9.671 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.607 10.670 -12.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.108 10.515 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.677 9.432 -13.273 1.00 0.00 H new ATOM 942 N GLY A 62 7.240 3.325 -10.785 1.00 0.00 N ATOM 943 CA GLY A 62 8.030 2.107 -10.937 1.00 0.00 C ATOM 944 C GLY A 62 7.131 0.914 -11.247 1.00 0.00 C ATOM 945 O GLY A 62 7.530 -0.015 -11.949 1.00 0.00 O ATOM 0 H GLY A 62 6.829 3.677 -11.649 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.758 2.238 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.593 1.917 -10.023 1.00 0.00 H new ATOM 949 N TYR A 63 5.913 0.953 -10.717 1.00 0.00 N ATOM 950 CA TYR A 63 4.959 -0.129 -10.941 1.00 0.00 C ATOM 951 C TYR A 63 4.435 -0.089 -12.373 1.00 0.00 C ATOM 952 O TYR A 63 4.176 0.980 -12.926 1.00 0.00 O ATOM 953 CB TYR A 63 3.778 -0.010 -9.974 1.00 0.00 C ATOM 954 CG TYR A 63 2.998 -1.302 -9.969 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.610 -2.498 -9.507 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.654 -1.322 -10.427 1.00 0.00 C ATOM 957 CE1 TYR A 63 2.876 -3.715 -9.503 1.00 0.00 C ATOM 958 CE2 TYR A 63 0.920 -2.539 -10.423 1.00 0.00 C ATOM 959 CZ TYR A 63 1.531 -3.735 -9.961 1.00 0.00 C ATOM 960 OH TYR A 63 0.818 -4.917 -9.957 1.00 0.00 O ATOM 0 H TYR A 63 5.565 1.714 -10.134 1.00 0.00 H new ATOM 0 HA TYR A 63 5.475 -1.074 -10.769 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.138 0.214 -8.970 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.132 0.816 -10.272 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.632 -2.482 -9.159 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.190 -0.412 -10.778 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.340 -4.625 -9.152 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.102 -2.554 -10.771 1.00 0.00 H new ATOM 0 HH TYR A 63 -0.085 -4.755 -10.300 1.00 0.00 H new ATOM 970 N ALA A 64 4.280 -1.269 -12.966 1.00 0.00 N ATOM 971 CA ALA A 64 3.785 -1.363 -14.337 1.00 0.00 C ATOM 972 C ALA A 64 3.282 -2.774 -14.626 1.00 0.00 C ATOM 973 O ALA A 64 2.151 -2.966 -15.072 1.00 0.00 O ATOM 974 CB ALA A 64 4.893 -1.015 -15.332 1.00 0.00 C ATOM 0 H ALA A 64 4.487 -2.165 -12.525 1.00 0.00 H new ATOM 0 HA ALA A 64 2.964 -0.655 -14.447 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.506 -1.090 -16.348 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.239 0.002 -15.150 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.725 -1.709 -15.208 1.00 0.00 H new ATOM 980 N ALA A 65 4.139 -3.758 -14.369 1.00 0.00 N ATOM 981 CA ALA A 65 3.775 -5.152 -14.605 1.00 0.00 C ATOM 982 C ALA A 65 4.838 -6.084 -14.034 1.00 0.00 C ATOM 983 O ALA A 65 4.567 -6.711 -13.023 1.00 0.00 O ATOM 984 CB ALA A 65 3.629 -5.422 -16.104 1.00 0.00 C ATOM 0 H ALA A 65 5.080 -3.619 -14.001 1.00 0.00 H new ATOM 0 HA ALA A 65 2.823 -5.339 -14.109 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.357 -6.466 -16.261 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.851 -4.779 -16.515 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.574 -5.214 -16.605 1.00 0.00 H new TER 990 ALA A 65