USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 722 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 55 SER OG : rot -121:sc= -0.278 USER MOD Set 1.2: A 83 THR OG1 : rot 98:sc= 0.982 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.185 K(o=-2,f=-6.2) USER MOD Set 2.2: A 29 MET CE :methyl 148:sc= -0.386 (180deg=0) USER MOD Set 2.3: A 32 THR OG1 : rot 160:sc= -1.44 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.193 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 165:sc= -2.86 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= 0.285 (180deg=0.0129) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 60 SER OG : rot 180:sc= -0.308 USER MOD Single : A 62 GLN : amide:sc= -0.0772 X(o=-0.077,f=-0.58) USER MOD Single : A 64 MET CE :methyl -173:sc= -0.904 (180deg=-1.08) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 66 HIS : no HE2:sc= -4.63! C(o=-4.6!,f=-12!) USER MOD Single : A 70 GLN : amide:sc= -0.0115 K(o=-0.012,f=-0.95) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= -1.84 (180deg=-3.08!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -85:sc= -1.09 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 151:sc= -4.6! (180deg=-5.69!) USER MOD Single : A 85 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.53) USER MOD Single : A 88 SER OG : rot 42:sc= 0.0593 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.622 -6.050 20.200 1.00 0.00 N ATOM 2 CA GLY A 1 -10.072 -5.727 21.544 1.00 0.00 C ATOM 3 C GLY A 1 -11.540 -5.298 21.542 1.00 0.00 C ATOM 4 O GLY A 1 -11.844 -4.111 21.653 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.369 -7.058 20.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.385 -5.852 19.521 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.790 -5.472 19.964 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.944 -6.594 22.192 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.456 -4.927 21.955 1.00 0.00 H new ATOM 8 N SER A 2 -12.413 -6.286 21.415 1.00 0.00 N ATOM 9 CA SER A 2 -13.842 -6.026 21.397 1.00 0.00 C ATOM 10 C SER A 2 -14.211 -5.215 20.153 1.00 0.00 C ATOM 11 O SER A 2 -13.381 -4.482 19.617 1.00 0.00 O ATOM 12 CB SER A 2 -14.283 -5.286 22.662 1.00 0.00 C ATOM 13 OG SER A 2 -15.046 -6.121 23.529 1.00 0.00 O ATOM 0 H SER A 2 -12.158 -7.269 21.323 1.00 0.00 H new ATOM 0 HA SER A 2 -14.363 -6.983 21.367 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.404 -4.919 23.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.875 -4.414 22.384 1.00 0.00 H new ATOM 0 HG SER A 2 -15.307 -5.613 24.326 1.00 0.00 H new ATOM 19 N SER A 3 -15.456 -5.374 19.730 1.00 0.00 N ATOM 20 CA SER A 3 -15.945 -4.666 18.559 1.00 0.00 C ATOM 21 C SER A 3 -15.191 -5.133 17.312 1.00 0.00 C ATOM 22 O SER A 3 -15.722 -5.903 16.514 1.00 0.00 O ATOM 23 CB SER A 3 -15.801 -3.152 18.730 1.00 0.00 C ATOM 24 OG SER A 3 -16.615 -2.655 19.788 1.00 0.00 O ATOM 0 H SER A 3 -16.141 -5.983 20.177 1.00 0.00 H new ATOM 0 HA SER A 3 -17.005 -4.892 18.441 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.758 -2.907 18.930 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.073 -2.654 17.799 1.00 0.00 H new ATOM 0 HG SER A 3 -16.494 -1.686 19.866 1.00 0.00 H new ATOM 30 N GLY A 4 -13.965 -4.647 17.184 1.00 0.00 N ATOM 31 CA GLY A 4 -13.132 -5.005 16.049 1.00 0.00 C ATOM 32 C GLY A 4 -11.843 -5.688 16.508 1.00 0.00 C ATOM 33 O GLY A 4 -11.499 -5.644 17.688 1.00 0.00 O ATOM 0 H GLY A 4 -13.528 -4.008 17.848 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.683 -5.670 15.384 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.889 -4.111 15.475 1.00 0.00 H new ATOM 37 N SER A 5 -11.165 -6.305 15.551 1.00 0.00 N ATOM 38 CA SER A 5 -9.921 -6.997 15.842 1.00 0.00 C ATOM 39 C SER A 5 -8.859 -6.622 14.807 1.00 0.00 C ATOM 40 O SER A 5 -8.691 -7.317 13.805 1.00 0.00 O ATOM 41 CB SER A 5 -10.127 -8.513 15.867 1.00 0.00 C ATOM 42 OG SER A 5 -9.331 -9.143 16.867 1.00 0.00 O ATOM 0 H SER A 5 -11.454 -6.340 14.573 1.00 0.00 H new ATOM 0 HA SER A 5 -9.581 -6.688 16.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.179 -8.733 16.049 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.879 -8.929 14.891 1.00 0.00 H new ATOM 0 HG SER A 5 -9.492 -10.110 16.852 1.00 0.00 H new ATOM 48 N SER A 6 -8.169 -5.526 15.084 1.00 0.00 N ATOM 49 CA SER A 6 -7.128 -5.051 14.189 1.00 0.00 C ATOM 50 C SER A 6 -5.750 -5.386 14.763 1.00 0.00 C ATOM 51 O SER A 6 -5.648 -6.058 15.789 1.00 0.00 O ATOM 52 CB SER A 6 -7.251 -3.544 13.951 1.00 0.00 C ATOM 53 OG SER A 6 -7.267 -2.810 15.172 1.00 0.00 O ATOM 0 H SER A 6 -8.310 -4.953 15.916 1.00 0.00 H new ATOM 0 HA SER A 6 -7.247 -5.554 13.230 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.418 -3.205 13.335 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.164 -3.339 13.393 1.00 0.00 H new ATOM 0 HG SER A 6 -7.345 -1.853 14.977 1.00 0.00 H new ATOM 59 N GLY A 7 -4.724 -4.903 14.078 1.00 0.00 N ATOM 60 CA GLY A 7 -3.357 -5.143 14.508 1.00 0.00 C ATOM 61 C GLY A 7 -2.360 -4.454 13.574 1.00 0.00 C ATOM 62 O GLY A 7 -2.510 -4.504 12.354 1.00 0.00 O ATOM 0 H GLY A 7 -4.812 -4.346 13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.222 -4.775 15.525 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.161 -6.215 14.528 1.00 0.00 H new ATOM 66 N SER A 8 -1.364 -3.828 14.183 1.00 0.00 N ATOM 67 CA SER A 8 -0.342 -3.130 13.421 1.00 0.00 C ATOM 68 C SER A 8 0.838 -4.065 13.149 1.00 0.00 C ATOM 69 O SER A 8 1.097 -4.985 13.923 1.00 0.00 O ATOM 70 CB SER A 8 0.134 -1.876 14.158 1.00 0.00 C ATOM 71 OG SER A 8 0.346 -2.120 15.546 1.00 0.00 O ATOM 0 H SER A 8 -1.243 -3.789 15.195 1.00 0.00 H new ATOM 0 HA SER A 8 -0.777 -2.818 12.471 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.060 -1.520 13.707 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.604 -1.083 14.038 1.00 0.00 H new ATOM 0 HG SER A 8 0.651 -1.296 15.980 1.00 0.00 H new ATOM 77 N VAL A 9 1.521 -3.798 12.046 1.00 0.00 N ATOM 78 CA VAL A 9 2.668 -4.604 11.662 1.00 0.00 C ATOM 79 C VAL A 9 3.855 -3.686 11.366 1.00 0.00 C ATOM 80 O VAL A 9 3.683 -2.481 11.184 1.00 0.00 O ATOM 81 CB VAL A 9 2.301 -5.506 10.481 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.463 -4.746 9.451 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.554 -6.103 9.837 1.00 0.00 C ATOM 0 H VAL A 9 1.302 -3.035 11.406 1.00 0.00 H new ATOM 0 HA VAL A 9 2.963 -5.263 12.479 1.00 0.00 H new ATOM 0 HB VAL A 9 1.697 -6.329 10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.216 -5.409 8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.544 -4.392 9.919 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.031 -3.894 9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.265 -6.740 9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.196 -5.299 9.476 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.095 -6.696 10.575 1.00 0.00 H new ATOM 93 N SER A 10 5.034 -4.290 11.328 1.00 0.00 N ATOM 94 CA SER A 10 6.250 -3.541 11.057 1.00 0.00 C ATOM 95 C SER A 10 7.034 -4.208 9.925 1.00 0.00 C ATOM 96 O SER A 10 7.362 -5.391 10.006 1.00 0.00 O ATOM 97 CB SER A 10 7.119 -3.431 12.312 1.00 0.00 C ATOM 98 OG SER A 10 8.302 -2.672 12.076 1.00 0.00 O ATOM 0 H SER A 10 5.173 -5.289 11.480 1.00 0.00 H new ATOM 0 HA SER A 10 5.971 -2.533 10.751 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.543 -2.966 13.112 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.391 -4.430 12.654 1.00 0.00 H new ATOM 0 HG SER A 10 8.829 -2.623 12.901 1.00 0.00 H new ATOM 104 N LEU A 11 7.311 -3.420 8.897 1.00 0.00 N ATOM 105 CA LEU A 11 8.050 -3.920 7.750 1.00 0.00 C ATOM 106 C LEU A 11 9.515 -3.491 7.866 1.00 0.00 C ATOM 107 O LEU A 11 9.812 -2.427 8.406 1.00 0.00 O ATOM 108 CB LEU A 11 7.382 -3.477 6.447 1.00 0.00 C ATOM 109 CG LEU A 11 6.010 -4.088 6.156 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.725 -4.106 4.652 1.00 0.00 C ATOM 111 CD2 LEU A 11 5.886 -5.480 6.779 1.00 0.00 C ATOM 0 H LEU A 11 7.037 -2.439 8.834 1.00 0.00 H new ATOM 0 HA LEU A 11 8.036 -5.010 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.278 -2.392 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.049 -3.719 5.619 1.00 0.00 H new ATOM 0 HG LEU A 11 5.251 -3.458 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.744 -4.545 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.742 -3.087 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.486 -4.699 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.901 -5.892 6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.654 -6.133 6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.014 -5.408 7.859 1.00 0.00 H new ATOM 123 N VAL A 12 10.390 -4.342 7.350 1.00 0.00 N ATOM 124 CA VAL A 12 11.815 -4.064 7.390 1.00 0.00 C ATOM 125 C VAL A 12 12.350 -3.959 5.960 1.00 0.00 C ATOM 126 O VAL A 12 12.488 -4.968 5.270 1.00 0.00 O ATOM 127 CB VAL A 12 12.533 -5.130 8.220 1.00 0.00 C ATOM 128 CG1 VAL A 12 14.052 -4.962 8.132 1.00 0.00 C ATOM 129 CG2 VAL A 12 12.061 -5.102 9.675 1.00 0.00 C ATOM 0 H VAL A 12 10.139 -5.224 6.902 1.00 0.00 H new ATOM 0 HA VAL A 12 12.004 -3.108 7.879 1.00 0.00 H new ATOM 0 HB VAL A 12 12.279 -6.105 7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.539 -5.732 8.731 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.369 -5.056 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.332 -3.978 8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.587 -5.869 10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.271 -4.123 10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.989 -5.293 9.713 1.00 0.00 H new ATOM 139 N GLY A 13 12.637 -2.730 5.558 1.00 0.00 N ATOM 140 CA GLY A 13 13.153 -2.481 4.223 1.00 0.00 C ATOM 141 C GLY A 13 13.429 -0.991 4.011 1.00 0.00 C ATOM 142 O GLY A 13 12.851 -0.146 4.693 1.00 0.00 O ATOM 0 H GLY A 13 12.522 -1.896 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.071 -3.050 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.435 -2.831 3.481 1.00 0.00 H new ATOM 146 N PRO A 14 14.336 -0.707 3.038 1.00 0.00 N ATOM 147 CA PRO A 14 14.695 0.667 2.728 1.00 0.00 C ATOM 148 C PRO A 14 13.582 1.361 1.941 1.00 0.00 C ATOM 149 O PRO A 14 13.662 2.558 1.670 1.00 0.00 O ATOM 150 CB PRO A 14 15.998 0.566 1.952 1.00 0.00 C ATOM 151 CG PRO A 14 16.078 -0.868 1.455 1.00 0.00 C ATOM 152 CD PRO A 14 15.040 -1.681 2.211 1.00 0.00 C ATOM 0 HA PRO A 14 14.824 1.280 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 14 16.012 1.269 1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.850 0.807 2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.890 -0.911 0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.076 -1.274 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.358 -2.186 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.509 -2.453 2.821 1.00 0.00 H new ATOM 160 N ALA A 15 12.569 0.579 1.596 1.00 0.00 N ATOM 161 CA ALA A 15 11.441 1.103 0.845 1.00 0.00 C ATOM 162 C ALA A 15 10.674 -0.057 0.209 1.00 0.00 C ATOM 163 O ALA A 15 9.455 -0.149 0.346 1.00 0.00 O ATOM 164 CB ALA A 15 11.942 2.109 -0.193 1.00 0.00 C ATOM 0 H ALA A 15 12.506 -0.413 1.823 1.00 0.00 H new ATOM 0 HA ALA A 15 10.753 1.631 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.096 2.502 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.454 2.928 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.634 1.614 -0.875 1.00 0.00 H new ATOM 170 N PRO A 16 11.438 -0.937 -0.491 1.00 0.00 N ATOM 171 CA PRO A 16 10.843 -2.088 -1.148 1.00 0.00 C ATOM 172 C PRO A 16 10.470 -3.168 -0.131 1.00 0.00 C ATOM 173 O PRO A 16 11.160 -4.180 -0.012 1.00 0.00 O ATOM 174 CB PRO A 16 11.887 -2.552 -2.151 1.00 0.00 C ATOM 175 CG PRO A 16 13.202 -1.938 -1.698 1.00 0.00 C ATOM 176 CD PRO A 16 12.885 -0.860 -0.674 1.00 0.00 C ATOM 0 HA PRO A 16 9.906 -1.847 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.951 -3.640 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.631 -2.227 -3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.849 -2.700 -1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.737 -1.513 -2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.413 -1.037 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.187 0.125 -1.029 1.00 0.00 H new ATOM 184 N TRP A 17 9.379 -2.917 0.578 1.00 0.00 N ATOM 185 CA TRP A 17 8.906 -3.856 1.581 1.00 0.00 C ATOM 186 C TRP A 17 8.438 -5.122 0.861 1.00 0.00 C ATOM 187 O TRP A 17 8.470 -6.212 1.430 1.00 0.00 O ATOM 188 CB TRP A 17 7.816 -3.226 2.450 1.00 0.00 C ATOM 189 CG TRP A 17 7.998 -1.725 2.687 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.485 -0.710 1.978 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.772 -1.108 3.737 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.869 0.511 2.493 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.677 0.262 3.596 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.527 -1.688 4.772 1.00 0.00 C ATOM 195 CZ2 TRP A 17 9.312 1.166 4.455 1.00 0.00 C ATOM 196 CZ3 TRP A 17 10.156 -0.770 5.622 1.00 0.00 C ATOM 197 CH2 TRP A 17 10.070 0.612 5.494 1.00 0.00 C ATOM 0 H TRP A 17 8.809 -2.077 0.478 1.00 0.00 H new ATOM 0 HA TRP A 17 9.709 -4.123 2.268 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.848 -3.394 1.979 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.794 -3.735 3.413 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.851 -0.832 1.112 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.608 1.428 2.131 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.615 -2.757 4.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.222 2.234 4.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.750 -1.163 6.434 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.585 1.255 6.192 1.00 0.00 H new ATOM 208 N GLY A 18 8.015 -4.936 -0.381 1.00 0.00 N ATOM 209 CA GLY A 18 7.542 -6.050 -1.185 1.00 0.00 C ATOM 210 C GLY A 18 6.014 -6.052 -1.273 1.00 0.00 C ATOM 211 O GLY A 18 5.398 -7.108 -1.409 1.00 0.00 O ATOM 0 H GLY A 18 7.990 -4.031 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.968 -5.987 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.886 -6.989 -0.751 1.00 0.00 H new ATOM 215 N PHE A 19 5.447 -4.858 -1.193 1.00 0.00 N ATOM 216 CA PHE A 19 4.003 -4.709 -1.262 1.00 0.00 C ATOM 217 C PHE A 19 3.620 -3.375 -1.908 1.00 0.00 C ATOM 218 O PHE A 19 4.342 -2.388 -1.777 1.00 0.00 O ATOM 219 CB PHE A 19 3.481 -4.734 0.175 1.00 0.00 C ATOM 220 CG PHE A 19 3.490 -3.369 0.865 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.658 -2.383 0.433 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.329 -3.140 1.911 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.666 -1.116 1.073 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.337 -1.872 2.551 1.00 0.00 C ATOM 225 CZ PHE A 19 3.505 -0.887 2.118 1.00 0.00 C ATOM 0 H PHE A 19 5.961 -3.984 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 19 3.575 -5.510 -1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.462 -5.122 0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.086 -5.428 0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.991 -2.564 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.989 -3.923 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.005 -0.334 0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.003 -1.690 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.511 0.077 2.604 1.00 0.00 H new ATOM 235 N ARG A 20 2.485 -3.389 -2.591 1.00 0.00 N ATOM 236 CA ARG A 20 1.997 -2.193 -3.257 1.00 0.00 C ATOM 237 C ARG A 20 0.651 -1.769 -2.667 1.00 0.00 C ATOM 238 O ARG A 20 0.089 -2.470 -1.827 1.00 0.00 O ATOM 239 CB ARG A 20 1.837 -2.427 -4.760 1.00 0.00 C ATOM 240 CG ARG A 20 3.175 -2.268 -5.485 1.00 0.00 C ATOM 241 CD ARG A 20 3.072 -1.229 -6.605 1.00 0.00 C ATOM 242 NE ARG A 20 4.289 -0.388 -6.628 1.00 0.00 N ATOM 243 CZ ARG A 20 5.474 -0.794 -7.104 1.00 0.00 C ATOM 244 NH1 ARG A 20 5.608 -2.031 -7.600 1.00 0.00 N ATOM 245 NH2 ARG A 20 6.524 0.038 -7.085 1.00 0.00 N ATOM 0 H ARG A 20 1.889 -4.210 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 20 2.731 -1.403 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.441 -3.427 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.113 -1.721 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.944 -1.967 -4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.484 -3.227 -5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.947 -1.729 -7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.191 -0.605 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 20 4.222 0.560 -6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.808 -2.664 -7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.510 -2.340 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.421 0.980 -6.708 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.426 -0.271 -7.447 1.00 0.00 H new ATOM 259 N LEU A 21 0.173 -0.624 -3.131 1.00 0.00 N ATOM 260 CA LEU A 21 -1.097 -0.098 -2.660 1.00 0.00 C ATOM 261 C LEU A 21 -2.057 0.041 -3.843 1.00 0.00 C ATOM 262 O LEU A 21 -1.627 0.082 -4.994 1.00 0.00 O ATOM 263 CB LEU A 21 -0.884 1.204 -1.885 1.00 0.00 C ATOM 264 CG LEU A 21 -0.140 1.078 -0.553 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.005 2.441 0.125 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.818 0.053 0.358 1.00 0.00 C ATOM 0 H LEU A 21 0.642 -0.046 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.557 -0.790 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.334 1.897 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.859 1.653 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 21 0.866 0.712 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.537 2.323 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.565 3.113 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.983 2.860 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.270 -0.018 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.843 0.366 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.825 -0.921 -0.132 1.00 0.00 H new ATOM 278 N GLN A 22 -3.340 0.110 -3.518 1.00 0.00 N ATOM 279 CA GLN A 22 -4.364 0.243 -4.540 1.00 0.00 C ATOM 280 C GLN A 22 -5.625 0.878 -3.948 1.00 0.00 C ATOM 281 O GLN A 22 -5.922 0.692 -2.769 1.00 0.00 O ATOM 282 CB GLN A 22 -4.680 -1.110 -5.180 1.00 0.00 C ATOM 283 CG GLN A 22 -5.143 -2.119 -4.127 1.00 0.00 C ATOM 284 CD GLN A 22 -6.117 -3.133 -4.731 1.00 0.00 C ATOM 285 OE1 GLN A 22 -7.202 -2.800 -5.179 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.671 -4.386 -4.719 1.00 0.00 N ATOM 0 H GLN A 22 -3.693 0.076 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.984 0.898 -5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.455 -0.987 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.795 -1.491 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.280 -2.640 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.624 -1.594 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.752 -4.597 -4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.248 -5.136 -5.100 1.00 0.00 H new ATOM 295 N GLY A 23 -6.332 1.613 -4.794 1.00 0.00 N ATOM 296 CA GLY A 23 -7.553 2.276 -4.369 1.00 0.00 C ATOM 297 C GLY A 23 -7.262 3.690 -3.864 1.00 0.00 C ATOM 298 O GLY A 23 -6.204 4.250 -4.149 1.00 0.00 O ATOM 0 H GLY A 23 -6.083 1.764 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.255 2.321 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.031 1.695 -3.580 1.00 0.00 H new ATOM 302 N GLY A 24 -8.220 4.228 -3.123 1.00 0.00 N ATOM 303 CA GLY A 24 -8.080 5.567 -2.576 1.00 0.00 C ATOM 304 C GLY A 24 -9.338 6.399 -2.833 1.00 0.00 C ATOM 305 O GLY A 24 -10.142 6.063 -3.701 1.00 0.00 O ATOM 0 H GLY A 24 -9.096 3.761 -2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.892 5.508 -1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.217 6.058 -3.025 1.00 0.00 H new ATOM 309 N LYS A 25 -9.469 7.469 -2.063 1.00 0.00 N ATOM 310 CA LYS A 25 -10.615 8.352 -2.197 1.00 0.00 C ATOM 311 C LYS A 25 -10.752 8.784 -3.658 1.00 0.00 C ATOM 312 O LYS A 25 -11.856 9.059 -4.126 1.00 0.00 O ATOM 313 CB LYS A 25 -10.508 9.521 -1.216 1.00 0.00 C ATOM 314 CG LYS A 25 -11.871 9.851 -0.605 1.00 0.00 C ATOM 315 CD LYS A 25 -11.759 10.053 0.908 1.00 0.00 C ATOM 316 CE LYS A 25 -11.384 11.498 1.241 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.160 11.979 2.406 1.00 0.00 N ATOM 0 H LYS A 25 -8.800 7.745 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.533 7.828 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.801 9.272 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.115 10.397 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.272 10.753 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.573 9.045 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.707 9.801 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.008 9.376 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.317 11.563 1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.576 12.138 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.894 12.961 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.176 11.935 2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.956 11.379 3.230 1.00 0.00 H new ATOM 331 N ASP A 26 -9.616 8.831 -4.337 1.00 0.00 N ATOM 332 CA ASP A 26 -9.596 9.226 -5.735 1.00 0.00 C ATOM 333 C ASP A 26 -10.036 8.044 -6.601 1.00 0.00 C ATOM 334 O ASP A 26 -10.640 8.234 -7.656 1.00 0.00 O ATOM 335 CB ASP A 26 -8.187 9.633 -6.172 1.00 0.00 C ATOM 336 CG ASP A 26 -8.045 9.982 -7.655 1.00 0.00 C ATOM 337 OD1 ASP A 26 -8.341 9.091 -8.479 1.00 0.00 O ATOM 338 OD2 ASP A 26 -7.645 11.134 -7.931 1.00 0.00 O ATOM 0 H ASP A 26 -8.702 8.602 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.270 10.074 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.874 10.493 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.501 8.819 -5.939 1.00 0.00 H new ATOM 343 N PHE A 27 -9.718 6.850 -6.123 1.00 0.00 N ATOM 344 CA PHE A 27 -10.074 5.637 -6.840 1.00 0.00 C ATOM 345 C PHE A 27 -11.478 5.165 -6.456 1.00 0.00 C ATOM 346 O PHE A 27 -11.980 4.186 -7.006 1.00 0.00 O ATOM 347 CB PHE A 27 -9.060 4.565 -6.436 1.00 0.00 C ATOM 348 CG PHE A 27 -7.712 4.683 -7.151 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.895 5.739 -6.891 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.332 3.732 -8.046 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.644 5.848 -7.555 1.00 0.00 C ATOM 352 CE2 PHE A 27 -6.081 3.842 -8.709 1.00 0.00 C ATOM 353 CZ PHE A 27 -5.264 4.897 -8.450 1.00 0.00 C ATOM 0 H PHE A 27 -9.218 6.696 -5.248 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.064 5.823 -7.914 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.895 4.622 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.484 3.582 -6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.197 6.494 -6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.981 2.894 -8.252 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.995 6.686 -7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.779 3.087 -9.419 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.313 4.980 -8.955 1.00 0.00 H new ATOM 363 N ASN A 28 -12.072 5.883 -5.514 1.00 0.00 N ATOM 364 CA ASN A 28 -13.408 5.550 -5.050 1.00 0.00 C ATOM 365 C ASN A 28 -13.399 4.141 -4.452 1.00 0.00 C ATOM 366 O ASN A 28 -14.200 3.293 -4.841 1.00 0.00 O ATOM 367 CB ASN A 28 -14.412 5.567 -6.203 1.00 0.00 C ATOM 368 CG ASN A 28 -14.974 6.974 -6.420 1.00 0.00 C ATOM 369 OD1 ASN A 28 -16.017 7.340 -5.902 1.00 0.00 O ATOM 370 ND2 ASN A 28 -14.228 7.739 -7.211 1.00 0.00 N ATOM 0 H ASN A 28 -11.652 6.694 -5.060 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.701 6.291 -4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.928 5.220 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -15.227 4.875 -5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -14.518 8.695 -7.417 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -13.366 7.370 -7.612 1.00 0.00 H new ATOM 377 N MET A 29 -12.483 3.936 -3.516 1.00 0.00 N ATOM 378 CA MET A 29 -12.360 2.645 -2.861 1.00 0.00 C ATOM 379 C MET A 29 -11.357 2.709 -1.707 1.00 0.00 C ATOM 380 O MET A 29 -10.590 3.665 -1.599 1.00 0.00 O ATOM 381 CB MET A 29 -11.901 1.598 -3.879 1.00 0.00 C ATOM 382 CG MET A 29 -10.374 1.510 -3.924 1.00 0.00 C ATOM 383 SD MET A 29 -9.868 0.307 -5.142 1.00 0.00 S ATOM 384 CE MET A 29 -9.354 -1.024 -4.068 1.00 0.00 C ATOM 0 H MET A 29 -11.820 4.642 -3.196 1.00 0.00 H new ATOM 0 HA MET A 29 -13.334 2.369 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.317 0.625 -3.618 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.283 1.854 -4.867 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.952 2.485 -4.167 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.988 1.231 -2.943 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.548 -1.980 -4.555 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.288 -0.932 -3.860 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.912 -0.973 -3.133 1.00 0.00 H new ATOM 394 N PRO A 30 -11.397 1.653 -0.852 1.00 0.00 N ATOM 395 CA PRO A 30 -10.501 1.580 0.290 1.00 0.00 C ATOM 396 C PRO A 30 -9.081 1.216 -0.149 1.00 0.00 C ATOM 397 O PRO A 30 -8.890 0.600 -1.196 1.00 0.00 O ATOM 398 CB PRO A 30 -11.122 0.544 1.212 1.00 0.00 C ATOM 399 CG PRO A 30 -12.083 -0.259 0.350 1.00 0.00 C ATOM 400 CD PRO A 30 -12.292 0.503 -0.949 1.00 0.00 C ATOM 0 HA PRO A 30 -10.394 2.536 0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.357 -0.099 1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.646 1.022 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.678 -1.251 0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.032 -0.400 0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.051 -0.115 -1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.330 0.817 -1.061 1.00 0.00 H new ATOM 408 N LEU A 31 -8.122 1.612 0.674 1.00 0.00 N ATOM 409 CA LEU A 31 -6.725 1.335 0.384 1.00 0.00 C ATOM 410 C LEU A 31 -6.436 -0.143 0.654 1.00 0.00 C ATOM 411 O LEU A 31 -6.600 -0.616 1.777 1.00 0.00 O ATOM 412 CB LEU A 31 -5.817 2.291 1.160 1.00 0.00 C ATOM 413 CG LEU A 31 -5.604 3.671 0.534 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.381 4.734 1.612 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.463 3.640 -0.485 1.00 0.00 C ATOM 0 H LEU A 31 -8.284 2.123 1.542 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.512 1.515 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.234 2.427 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.844 1.816 1.284 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.511 3.945 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.232 5.705 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.252 4.778 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.499 4.477 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.332 4.633 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.541 3.335 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.702 2.930 -1.277 1.00 0.00 H new ATOM 427 N THR A 32 -6.011 -0.831 -0.396 1.00 0.00 N ATOM 428 CA THR A 32 -5.698 -2.245 -0.286 1.00 0.00 C ATOM 429 C THR A 32 -4.296 -2.525 -0.833 1.00 0.00 C ATOM 430 O THR A 32 -3.671 -1.648 -1.427 1.00 0.00 O ATOM 431 CB THR A 32 -6.797 -3.030 -1.004 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.294 -2.118 -1.980 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.004 -3.305 -0.104 1.00 0.00 C ATOM 0 H THR A 32 -5.876 -0.435 -1.326 1.00 0.00 H new ATOM 0 HA THR A 32 -5.677 -2.565 0.756 1.00 0.00 H new ATOM 0 HB THR A 32 -6.391 -3.975 -1.366 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.761 -2.615 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.754 -3.865 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.687 -3.887 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.431 -2.360 0.231 1.00 0.00 H new ATOM 441 N ILE A 33 -3.843 -3.750 -0.612 1.00 0.00 N ATOM 442 CA ILE A 33 -2.527 -4.157 -1.075 1.00 0.00 C ATOM 443 C ILE A 33 -2.591 -4.465 -2.572 1.00 0.00 C ATOM 444 O ILE A 33 -3.043 -5.537 -2.970 1.00 0.00 O ATOM 445 CB ILE A 33 -1.997 -5.317 -0.230 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.789 -4.886 1.223 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.723 -5.902 -0.842 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.583 -3.955 1.353 1.00 0.00 C ATOM 0 H ILE A 33 -4.364 -4.475 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.810 -3.346 -0.947 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.746 -6.109 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.683 -4.381 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.642 -5.766 1.849 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.366 -6.725 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.937 -6.270 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.044 -5.129 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.459 -3.664 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.314 -4.471 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.743 -3.065 0.745 1.00 0.00 H new ATOM 460 N SER A 34 -2.131 -3.505 -3.361 1.00 0.00 N ATOM 461 CA SER A 34 -2.130 -3.660 -4.806 1.00 0.00 C ATOM 462 C SER A 34 -1.623 -5.054 -5.182 1.00 0.00 C ATOM 463 O SER A 34 -2.319 -5.811 -5.857 1.00 0.00 O ATOM 464 CB SER A 34 -1.272 -2.585 -5.475 1.00 0.00 C ATOM 465 OG SER A 34 -0.252 -3.149 -6.295 1.00 0.00 O ATOM 0 H SER A 34 -1.756 -2.617 -3.027 1.00 0.00 H new ATOM 0 HA SER A 34 -3.153 -3.544 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.908 -1.939 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.816 -1.957 -4.710 1.00 0.00 H new ATOM 0 HG SER A 34 0.114 -2.457 -6.885 1.00 0.00 H new ATOM 471 N SER A 35 -0.414 -5.351 -4.728 1.00 0.00 N ATOM 472 CA SER A 35 0.195 -6.641 -5.008 1.00 0.00 C ATOM 473 C SER A 35 1.262 -6.955 -3.958 1.00 0.00 C ATOM 474 O SER A 35 1.552 -6.127 -3.096 1.00 0.00 O ATOM 475 CB SER A 35 0.806 -6.668 -6.411 1.00 0.00 C ATOM 476 OG SER A 35 0.115 -7.565 -7.276 1.00 0.00 O ATOM 0 H SER A 35 0.160 -4.721 -4.168 1.00 0.00 H new ATOM 0 HA SER A 35 -0.583 -7.403 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.783 -5.664 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.853 -6.962 -6.345 1.00 0.00 H new ATOM 0 HG SER A 35 0.534 -7.553 -8.162 1.00 0.00 H new ATOM 482 N LEU A 36 1.818 -8.153 -4.066 1.00 0.00 N ATOM 483 CA LEU A 36 2.847 -8.587 -3.136 1.00 0.00 C ATOM 484 C LEU A 36 4.130 -8.894 -3.910 1.00 0.00 C ATOM 485 O LEU A 36 4.114 -8.979 -5.137 1.00 0.00 O ATOM 486 CB LEU A 36 2.344 -9.757 -2.289 1.00 0.00 C ATOM 487 CG LEU A 36 2.124 -9.464 -0.803 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.423 -9.630 -0.013 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.504 -8.080 -0.603 1.00 0.00 C ATOM 0 H LEU A 36 1.575 -8.837 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 36 3.083 -7.791 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.403 -10.108 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.058 -10.576 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 36 1.415 -10.194 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.239 -9.416 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.784 -10.653 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.174 -8.939 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.358 -7.897 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.169 -7.321 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.542 -8.035 -1.114 1.00 0.00 H new ATOM 501 N LYS A 37 5.211 -9.052 -3.160 1.00 0.00 N ATOM 502 CA LYS A 37 6.501 -9.348 -3.761 1.00 0.00 C ATOM 503 C LYS A 37 6.942 -10.753 -3.345 1.00 0.00 C ATOM 504 O LYS A 37 6.858 -11.112 -2.172 1.00 0.00 O ATOM 505 CB LYS A 37 7.517 -8.257 -3.414 1.00 0.00 C ATOM 506 CG LYS A 37 8.893 -8.583 -3.998 1.00 0.00 C ATOM 507 CD LYS A 37 9.513 -7.351 -4.659 1.00 0.00 C ATOM 508 CE LYS A 37 10.734 -7.736 -5.498 1.00 0.00 C ATOM 509 NZ LYS A 37 10.483 -7.469 -6.932 1.00 0.00 N ATOM 0 H LYS A 37 5.220 -8.981 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 37 6.424 -9.346 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.172 -7.298 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.592 -8.156 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.551 -8.946 -3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.801 -9.385 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.772 -6.861 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.805 -6.631 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.605 -7.172 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.964 -8.792 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.321 -7.736 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.665 -8.026 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.286 -6.457 -7.067 1.00 0.00 H new ATOM 523 N ASP A 38 7.402 -11.510 -4.331 1.00 0.00 N ATOM 524 CA ASP A 38 7.856 -12.867 -4.082 1.00 0.00 C ATOM 525 C ASP A 38 8.760 -12.880 -2.848 1.00 0.00 C ATOM 526 O ASP A 38 9.810 -12.239 -2.837 1.00 0.00 O ATOM 527 CB ASP A 38 8.664 -13.403 -5.266 1.00 0.00 C ATOM 528 CG ASP A 38 7.986 -14.524 -6.056 1.00 0.00 C ATOM 529 OD1 ASP A 38 8.101 -15.685 -5.607 1.00 0.00 O ATOM 530 OD2 ASP A 38 7.369 -14.196 -7.092 1.00 0.00 O ATOM 0 H ASP A 38 7.470 -11.209 -5.303 1.00 0.00 H new ATOM 0 HA ASP A 38 6.977 -13.494 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.877 -12.577 -5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.623 -13.767 -4.897 1.00 0.00 H new ATOM 535 N GLY A 39 8.320 -13.617 -1.839 1.00 0.00 N ATOM 536 CA GLY A 39 9.077 -13.721 -0.603 1.00 0.00 C ATOM 537 C GLY A 39 9.517 -12.341 -0.111 1.00 0.00 C ATOM 538 O GLY A 39 10.695 -12.125 0.171 1.00 0.00 O ATOM 0 H GLY A 39 7.449 -14.148 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.469 -14.206 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.953 -14.351 -0.761 1.00 0.00 H new ATOM 542 N GLY A 40 8.548 -11.442 -0.023 1.00 0.00 N ATOM 543 CA GLY A 40 8.821 -10.089 0.430 1.00 0.00 C ATOM 544 C GLY A 40 8.473 -9.926 1.911 1.00 0.00 C ATOM 545 O GLY A 40 7.744 -10.741 2.475 1.00 0.00 O ATOM 0 H GLY A 40 7.572 -11.624 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.874 -9.854 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.244 -9.380 -0.163 1.00 0.00 H new ATOM 549 N LYS A 41 9.009 -8.867 2.499 1.00 0.00 N ATOM 550 CA LYS A 41 8.765 -8.586 3.904 1.00 0.00 C ATOM 551 C LYS A 41 7.263 -8.676 4.183 1.00 0.00 C ATOM 552 O LYS A 41 6.828 -9.475 5.011 1.00 0.00 O ATOM 553 CB LYS A 41 9.384 -7.244 4.298 1.00 0.00 C ATOM 554 CG LYS A 41 10.911 -7.300 4.216 1.00 0.00 C ATOM 555 CD LYS A 41 11.421 -6.575 2.970 1.00 0.00 C ATOM 556 CE LYS A 41 12.119 -7.547 2.017 1.00 0.00 C ATOM 557 NZ LYS A 41 11.866 -7.165 0.609 1.00 0.00 N ATOM 0 H LYS A 41 9.612 -8.192 2.028 1.00 0.00 H new ATOM 0 HA LYS A 41 9.253 -9.332 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.009 -6.460 3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.080 -6.983 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.343 -6.846 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.240 -8.339 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.588 -6.094 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.114 -5.786 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.191 -7.550 2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.760 -8.561 2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.709 -7.373 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.056 -7.705 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.655 -6.148 0.558 1.00 0.00 H new ATOM 571 N ALA A 42 6.511 -7.844 3.476 1.00 0.00 N ATOM 572 CA ALA A 42 5.068 -7.820 3.637 1.00 0.00 C ATOM 573 C ALA A 42 4.545 -9.254 3.739 1.00 0.00 C ATOM 574 O ALA A 42 4.001 -9.649 4.769 1.00 0.00 O ATOM 575 CB ALA A 42 4.437 -7.051 2.475 1.00 0.00 C ATOM 0 H ALA A 42 6.875 -7.182 2.791 1.00 0.00 H new ATOM 0 HA ALA A 42 4.794 -7.304 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.354 -7.033 2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.818 -6.030 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.689 -7.541 1.535 1.00 0.00 H new ATOM 581 N SER A 43 4.730 -9.995 2.656 1.00 0.00 N ATOM 582 CA SER A 43 4.284 -11.377 2.611 1.00 0.00 C ATOM 583 C SER A 43 4.724 -12.111 3.879 1.00 0.00 C ATOM 584 O SER A 43 3.924 -12.801 4.510 1.00 0.00 O ATOM 585 CB SER A 43 4.827 -12.090 1.370 1.00 0.00 C ATOM 586 OG SER A 43 4.991 -13.489 1.588 1.00 0.00 O ATOM 0 H SER A 43 5.182 -9.664 1.804 1.00 0.00 H new ATOM 0 HA SER A 43 3.195 -11.383 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.147 -11.931 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.785 -11.652 1.090 1.00 0.00 H new ATOM 0 HG SER A 43 5.338 -13.909 0.773 1.00 0.00 H new ATOM 592 N GLN A 44 5.993 -11.937 4.215 1.00 0.00 N ATOM 593 CA GLN A 44 6.549 -12.574 5.397 1.00 0.00 C ATOM 594 C GLN A 44 5.722 -12.212 6.633 1.00 0.00 C ATOM 595 O GLN A 44 5.697 -12.961 7.609 1.00 0.00 O ATOM 596 CB GLN A 44 8.017 -12.191 5.588 1.00 0.00 C ATOM 597 CG GLN A 44 8.942 -13.230 4.952 1.00 0.00 C ATOM 598 CD GLN A 44 10.359 -13.125 5.521 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.741 -13.833 6.439 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.114 -12.205 4.928 1.00 0.00 N ATOM 0 H GLN A 44 6.653 -11.364 3.689 1.00 0.00 H new ATOM 0 HA GLN A 44 6.506 -13.654 5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.202 -11.213 5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.238 -12.104 6.652 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.548 -14.230 5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.968 -13.086 3.872 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.732 -11.646 4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.075 -12.058 5.236 1.00 0.00 H new ATOM 609 N ALA A 45 5.066 -11.064 6.551 1.00 0.00 N ATOM 610 CA ALA A 45 4.241 -10.594 7.651 1.00 0.00 C ATOM 611 C ALA A 45 2.812 -11.107 7.466 1.00 0.00 C ATOM 612 O ALA A 45 1.885 -10.622 8.114 1.00 0.00 O ATOM 613 CB ALA A 45 4.307 -9.067 7.722 1.00 0.00 C ATOM 0 H ALA A 45 5.089 -10.446 5.740 1.00 0.00 H new ATOM 0 HA ALA A 45 4.610 -10.981 8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.688 -8.714 8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.339 -8.754 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.941 -8.643 6.787 1.00 0.00 H new ATOM 619 N HIS A 46 2.677 -12.083 6.580 1.00 0.00 N ATOM 620 CA HIS A 46 1.377 -12.668 6.302 1.00 0.00 C ATOM 621 C HIS A 46 0.460 -11.610 5.684 1.00 0.00 C ATOM 622 O HIS A 46 -0.715 -11.518 6.038 1.00 0.00 O ATOM 623 CB HIS A 46 0.785 -13.301 7.563 1.00 0.00 C ATOM 624 CG HIS A 46 1.209 -14.733 7.787 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.352 -15.805 7.609 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.406 -15.258 8.176 1.00 0.00 C ATOM 627 CE1 HIS A 46 1.014 -16.919 7.882 1.00 0.00 C ATOM 628 NE2 HIS A 46 2.287 -16.578 8.234 1.00 0.00 N ATOM 0 H HIS A 46 3.448 -12.483 6.045 1.00 0.00 H new ATOM 0 HA HIS A 46 1.485 -13.475 5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.078 -12.706 8.428 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.303 -13.260 7.502 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.300 -14.694 8.399 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.616 -17.922 7.834 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.025 -17.230 8.498 1.00 0.00 H new ATOM 636 N VAL A 47 1.031 -10.838 4.771 1.00 0.00 N ATOM 637 CA VAL A 47 0.280 -9.791 4.100 1.00 0.00 C ATOM 638 C VAL A 47 -0.238 -10.319 2.761 1.00 0.00 C ATOM 639 O VAL A 47 0.537 -10.517 1.826 1.00 0.00 O ATOM 640 CB VAL A 47 1.146 -8.538 3.954 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.387 -7.430 3.221 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.642 -8.053 5.318 1.00 0.00 C ATOM 0 H VAL A 47 2.005 -10.917 4.480 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.588 -9.503 4.693 1.00 0.00 H new ATOM 0 HB VAL A 47 2.018 -8.800 3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.025 -6.551 3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.105 -7.778 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.511 -7.171 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.255 -7.161 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.788 -7.816 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.237 -8.836 5.788 1.00 0.00 H new ATOM 652 N ARG A 48 -1.545 -10.531 2.710 1.00 0.00 N ATOM 653 CA ARG A 48 -2.175 -11.032 1.501 1.00 0.00 C ATOM 654 C ARG A 48 -2.942 -9.910 0.798 1.00 0.00 C ATOM 655 O ARG A 48 -3.346 -8.937 1.433 1.00 0.00 O ATOM 656 CB ARG A 48 -3.138 -12.178 1.816 1.00 0.00 C ATOM 657 CG ARG A 48 -2.411 -13.525 1.798 1.00 0.00 C ATOM 658 CD ARG A 48 -2.748 -14.346 3.045 1.00 0.00 C ATOM 659 NE ARG A 48 -2.435 -13.567 4.264 1.00 0.00 N ATOM 660 CZ ARG A 48 -2.954 -13.823 5.473 1.00 0.00 C ATOM 661 NH1 ARG A 48 -3.814 -14.838 5.632 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.612 -13.064 6.523 1.00 0.00 N ATOM 0 H ARG A 48 -2.185 -10.365 3.487 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.387 -11.404 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.592 -12.018 2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.948 -12.188 1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.692 -14.082 0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.335 -13.361 1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.804 -14.617 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.180 -15.276 3.042 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.784 -12.787 4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.074 -15.416 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.209 -15.033 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.957 -12.292 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.007 -13.259 7.443 1.00 0.00 H new ATOM 676 N ILE A 49 -3.120 -10.082 -0.503 1.00 0.00 N ATOM 677 CA ILE A 49 -3.831 -9.096 -1.299 1.00 0.00 C ATOM 678 C ILE A 49 -5.243 -8.917 -0.738 1.00 0.00 C ATOM 679 O ILE A 49 -5.937 -9.896 -0.469 1.00 0.00 O ATOM 680 CB ILE A 49 -3.802 -9.481 -2.780 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.401 -9.297 -3.367 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.860 -8.706 -3.568 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.464 -9.093 -4.882 1.00 0.00 C ATOM 0 H ILE A 49 -2.784 -10.890 -1.027 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.337 -8.127 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.049 -10.539 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.917 -8.439 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.790 -10.170 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.818 -8.998 -4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.849 -8.930 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.668 -7.637 -3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.455 -8.965 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.926 -9.964 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.056 -8.205 -5.105 1.00 0.00 H new ATOM 695 N GLY A 50 -5.626 -7.659 -0.577 1.00 0.00 N ATOM 696 CA GLY A 50 -6.942 -7.338 -0.052 1.00 0.00 C ATOM 697 C GLY A 50 -6.836 -6.634 1.302 1.00 0.00 C ATOM 698 O GLY A 50 -7.779 -5.976 1.739 1.00 0.00 O ATOM 0 H GLY A 50 -5.047 -6.849 -0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.473 -6.699 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.528 -8.251 0.054 1.00 0.00 H new ATOM 702 N ASP A 51 -5.681 -6.797 1.929 1.00 0.00 N ATOM 703 CA ASP A 51 -5.439 -6.186 3.225 1.00 0.00 C ATOM 704 C ASP A 51 -5.713 -4.683 3.134 1.00 0.00 C ATOM 705 O ASP A 51 -5.133 -3.992 2.297 1.00 0.00 O ATOM 706 CB ASP A 51 -3.985 -6.376 3.661 1.00 0.00 C ATOM 707 CG ASP A 51 -3.565 -7.828 3.896 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.422 -8.710 3.670 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.397 -8.023 4.296 1.00 0.00 O ATOM 0 H ASP A 51 -4.901 -7.344 1.563 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.098 -6.662 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.334 -5.944 2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.820 -5.813 4.580 1.00 0.00 H new ATOM 714 N VAL A 52 -6.597 -4.221 4.006 1.00 0.00 N ATOM 715 CA VAL A 52 -6.954 -2.813 4.035 1.00 0.00 C ATOM 716 C VAL A 52 -6.078 -2.089 5.059 1.00 0.00 C ATOM 717 O VAL A 52 -5.976 -2.519 6.207 1.00 0.00 O ATOM 718 CB VAL A 52 -8.451 -2.659 4.313 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.827 -1.186 4.489 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.284 -3.309 3.207 1.00 0.00 C ATOM 0 H VAL A 52 -7.077 -4.797 4.698 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.767 -2.352 3.065 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.673 -3.176 5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.896 -1.104 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.271 -0.766 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.582 -0.637 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.344 -3.185 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.055 -2.834 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.047 -4.371 3.150 1.00 0.00 H new ATOM 730 N VAL A 53 -5.468 -1.003 4.607 1.00 0.00 N ATOM 731 CA VAL A 53 -4.604 -0.216 5.470 1.00 0.00 C ATOM 732 C VAL A 53 -5.444 0.823 6.215 1.00 0.00 C ATOM 733 O VAL A 53 -5.886 1.808 5.625 1.00 0.00 O ATOM 734 CB VAL A 53 -3.472 0.406 4.650 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.470 1.125 5.556 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.775 -0.648 3.789 1.00 0.00 C ATOM 0 H VAL A 53 -5.555 -0.650 3.654 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.133 -0.851 6.220 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.911 1.147 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.676 1.558 4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.979 1.917 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.040 0.413 6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.975 -0.179 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.356 -1.423 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.497 -1.094 3.105 1.00 0.00 H new ATOM 746 N LEU A 54 -5.640 0.568 7.500 1.00 0.00 N ATOM 747 CA LEU A 54 -6.420 1.469 8.332 1.00 0.00 C ATOM 748 C LEU A 54 -5.581 2.706 8.661 1.00 0.00 C ATOM 749 O LEU A 54 -6.116 3.805 8.795 1.00 0.00 O ATOM 750 CB LEU A 54 -6.947 0.737 9.567 1.00 0.00 C ATOM 751 CG LEU A 54 -7.751 -0.537 9.300 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.997 -1.313 10.595 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.056 -0.218 8.566 1.00 0.00 C ATOM 0 H LEU A 54 -5.272 -0.250 7.986 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.303 1.815 7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.099 0.481 10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.573 1.426 10.133 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.163 -1.181 8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.570 -2.214 10.376 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.041 -1.590 11.040 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.555 -0.689 11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.608 -1.141 8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.660 0.455 9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.830 0.259 7.612 1.00 0.00 H new ATOM 765 N SER A 55 -4.281 2.484 8.783 1.00 0.00 N ATOM 766 CA SER A 55 -3.363 3.567 9.094 1.00 0.00 C ATOM 767 C SER A 55 -2.021 3.332 8.399 1.00 0.00 C ATOM 768 O SER A 55 -1.758 2.237 7.903 1.00 0.00 O ATOM 769 CB SER A 55 -3.162 3.701 10.605 1.00 0.00 C ATOM 770 OG SER A 55 -2.853 2.451 11.215 1.00 0.00 O ATOM 0 H SER A 55 -3.841 1.570 8.672 1.00 0.00 H new ATOM 0 HA SER A 55 -3.796 4.498 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.357 4.409 10.802 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.066 4.111 11.056 1.00 0.00 H new ATOM 0 HG SER A 55 -3.531 2.240 11.891 1.00 0.00 H new ATOM 776 N ILE A 56 -1.207 4.377 8.385 1.00 0.00 N ATOM 777 CA ILE A 56 0.102 4.298 7.758 1.00 0.00 C ATOM 778 C ILE A 56 1.106 5.109 8.579 1.00 0.00 C ATOM 779 O ILE A 56 1.299 6.299 8.331 1.00 0.00 O ATOM 780 CB ILE A 56 0.020 4.724 6.291 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.748 3.693 5.462 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.414 4.996 5.720 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.069 4.238 4.069 1.00 0.00 C ATOM 0 H ILE A 56 -1.428 5.283 8.798 1.00 0.00 H new ATOM 0 HA ILE A 56 0.458 3.268 7.747 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.538 5.659 6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.158 2.781 5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.673 3.426 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.327 5.297 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.891 5.794 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.018 4.091 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.615 3.485 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.679 5.136 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.141 4.481 3.551 1.00 0.00 H new ATOM 795 N ASP A 57 1.718 4.434 9.541 1.00 0.00 N ATOM 796 CA ASP A 57 2.697 5.078 10.400 1.00 0.00 C ATOM 797 C ASP A 57 1.973 5.960 11.420 1.00 0.00 C ATOM 798 O ASP A 57 2.251 7.153 11.522 1.00 0.00 O ATOM 799 CB ASP A 57 3.640 5.969 9.590 1.00 0.00 C ATOM 800 CG ASP A 57 5.027 6.170 10.203 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.303 5.491 11.216 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.780 6.997 9.646 1.00 0.00 O ATOM 0 H ASP A 57 1.555 3.448 9.744 1.00 0.00 H new ATOM 0 HA ASP A 57 3.275 4.298 10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.758 5.538 8.596 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.172 6.945 9.461 1.00 0.00 H new ATOM 807 N GLY A 58 1.059 5.337 12.149 1.00 0.00 N ATOM 808 CA GLY A 58 0.293 6.050 13.157 1.00 0.00 C ATOM 809 C GLY A 58 -0.573 7.139 12.519 1.00 0.00 C ATOM 810 O GLY A 58 -1.096 8.008 13.215 1.00 0.00 O ATOM 0 H GLY A 58 0.832 4.347 12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.340 5.349 13.701 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.970 6.498 13.884 1.00 0.00 H new ATOM 814 N ILE A 59 -0.697 7.056 11.203 1.00 0.00 N ATOM 815 CA ILE A 59 -1.490 8.024 10.464 1.00 0.00 C ATOM 816 C ILE A 59 -2.781 7.357 9.983 1.00 0.00 C ATOM 817 O ILE A 59 -2.761 6.216 9.523 1.00 0.00 O ATOM 818 CB ILE A 59 -0.663 8.646 9.338 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.449 9.534 9.900 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.557 9.403 8.354 1.00 0.00 C ATOM 821 CD1 ILE A 59 -0.011 10.989 10.006 1.00 0.00 C ATOM 0 H ILE A 59 -0.262 6.334 10.629 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.780 8.853 11.110 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.183 7.840 8.783 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.747 9.171 10.884 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.328 9.473 9.258 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.944 9.835 7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.281 8.715 7.917 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.085 10.199 8.880 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.798 11.598 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.285 11.357 9.017 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.875 11.050 10.668 1.00 0.00 H new ATOM 833 N SER A 60 -3.872 8.098 10.104 1.00 0.00 N ATOM 834 CA SER A 60 -5.170 7.593 9.687 1.00 0.00 C ATOM 835 C SER A 60 -5.258 7.575 8.160 1.00 0.00 C ATOM 836 O SER A 60 -5.086 8.607 7.512 1.00 0.00 O ATOM 837 CB SER A 60 -6.303 8.437 10.274 1.00 0.00 C ATOM 838 OG SER A 60 -7.551 8.172 9.638 1.00 0.00 O ATOM 0 H SER A 60 -3.885 9.044 10.485 1.00 0.00 H new ATOM 0 HA SER A 60 -5.279 6.576 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.390 8.235 11.342 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.060 9.494 10.169 1.00 0.00 H new ATOM 0 HG SER A 60 -8.249 8.729 10.042 1.00 0.00 H new ATOM 844 N ALA A 61 -5.525 6.391 7.629 1.00 0.00 N ATOM 845 CA ALA A 61 -5.638 6.225 6.190 1.00 0.00 C ATOM 846 C ALA A 61 -7.115 6.107 5.809 1.00 0.00 C ATOM 847 O ALA A 61 -7.462 5.398 4.865 1.00 0.00 O ATOM 848 CB ALA A 61 -4.824 5.006 5.751 1.00 0.00 C ATOM 0 H ALA A 61 -5.666 5.538 8.169 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.232 7.093 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.909 4.881 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.777 5.152 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.205 4.115 6.250 1.00 0.00 H new ATOM 854 N GLN A 62 -7.946 6.811 6.563 1.00 0.00 N ATOM 855 CA GLN A 62 -9.378 6.794 6.316 1.00 0.00 C ATOM 856 C GLN A 62 -9.712 7.620 5.072 1.00 0.00 C ATOM 857 O GLN A 62 -10.189 7.080 4.075 1.00 0.00 O ATOM 858 CB GLN A 62 -10.151 7.303 7.535 1.00 0.00 C ATOM 859 CG GLN A 62 -11.072 6.217 8.093 1.00 0.00 C ATOM 860 CD GLN A 62 -12.169 5.859 7.087 1.00 0.00 C ATOM 861 OE1 GLN A 62 -12.687 6.699 6.370 1.00 0.00 O ATOM 862 NE2 GLN A 62 -12.494 4.570 7.077 1.00 0.00 N ATOM 0 H GLN A 62 -7.655 7.397 7.346 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.684 5.763 6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.451 7.623 8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.740 8.177 7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.489 5.328 8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.524 6.561 9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.020 3.920 7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.217 4.231 6.442 1.00 0.00 H new ATOM 871 N GLY A 63 -9.448 8.914 5.171 1.00 0.00 N ATOM 872 CA GLY A 63 -9.714 9.819 4.066 1.00 0.00 C ATOM 873 C GLY A 63 -8.416 10.231 3.369 1.00 0.00 C ATOM 874 O GLY A 63 -8.157 11.419 3.183 1.00 0.00 O ATOM 0 H GLY A 63 -9.052 9.358 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.379 9.337 3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.231 10.706 4.434 1.00 0.00 H new ATOM 878 N MET A 64 -7.634 9.226 3.002 1.00 0.00 N ATOM 879 CA MET A 64 -6.369 9.468 2.330 1.00 0.00 C ATOM 880 C MET A 64 -6.371 8.866 0.923 1.00 0.00 C ATOM 881 O MET A 64 -6.761 7.714 0.738 1.00 0.00 O ATOM 882 CB MET A 64 -5.231 8.854 3.146 1.00 0.00 C ATOM 883 CG MET A 64 -4.851 9.756 4.323 1.00 0.00 C ATOM 884 SD MET A 64 -3.075 9.875 4.452 1.00 0.00 S ATOM 885 CE MET A 64 -2.710 8.290 5.188 1.00 0.00 C ATOM 0 H MET A 64 -7.853 8.242 3.158 1.00 0.00 H new ATOM 0 HA MET A 64 -6.226 10.545 2.244 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.532 7.874 3.517 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.362 8.700 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.281 10.748 4.185 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.265 9.355 5.248 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.654 8.246 5.453 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.315 8.158 6.085 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.939 7.497 4.476 1.00 0.00 H new ATOM 895 N THR A 65 -5.932 9.672 -0.032 1.00 0.00 N ATOM 896 CA THR A 65 -5.879 9.233 -1.416 1.00 0.00 C ATOM 897 C THR A 65 -4.638 8.370 -1.654 1.00 0.00 C ATOM 898 O THR A 65 -3.662 8.461 -0.911 1.00 0.00 O ATOM 899 CB THR A 65 -5.936 10.475 -2.308 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.753 11.196 -1.976 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.072 11.423 -1.921 1.00 0.00 C ATOM 0 H THR A 65 -5.610 10.627 0.125 1.00 0.00 H new ATOM 0 HA THR A 65 -6.730 8.598 -1.663 1.00 0.00 H new ATOM 0 HB THR A 65 -6.057 10.169 -3.347 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.709 12.016 -2.510 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.067 12.287 -2.585 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.026 10.903 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.934 11.755 -0.892 1.00 0.00 H new ATOM 909 N HIS A 66 -4.716 7.552 -2.694 1.00 0.00 N ATOM 910 CA HIS A 66 -3.612 6.674 -3.039 1.00 0.00 C ATOM 911 C HIS A 66 -2.293 7.441 -2.933 1.00 0.00 C ATOM 912 O HIS A 66 -1.348 6.975 -2.297 1.00 0.00 O ATOM 913 CB HIS A 66 -3.825 6.050 -4.420 1.00 0.00 C ATOM 914 CG HIS A 66 -3.179 4.695 -4.588 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.624 4.272 -5.783 1.00 0.00 N ATOM 916 CD2 HIS A 66 -3.006 3.674 -3.700 1.00 0.00 C ATOM 917 CE1 HIS A 66 -2.142 3.050 -5.611 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.380 2.681 -4.320 1.00 0.00 N ATOM 0 H HIS A 66 -5.527 7.479 -3.308 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.568 5.845 -2.332 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.895 5.956 -4.604 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.429 6.726 -5.178 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.592 4.810 -6.649 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.324 3.674 -2.668 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.647 2.451 -6.361 1.00 0.00 H new ATOM 926 N LEU A 67 -2.270 8.606 -3.564 1.00 0.00 N ATOM 927 CA LEU A 67 -1.082 9.443 -3.549 1.00 0.00 C ATOM 928 C LEU A 67 -0.678 9.719 -2.100 1.00 0.00 C ATOM 929 O LEU A 67 0.479 9.529 -1.727 1.00 0.00 O ATOM 930 CB LEU A 67 -1.309 10.709 -4.377 1.00 0.00 C ATOM 931 CG LEU A 67 -0.291 11.834 -4.174 1.00 0.00 C ATOM 932 CD1 LEU A 67 1.130 11.346 -4.465 1.00 0.00 C ATOM 933 CD2 LEU A 67 -0.658 13.062 -5.009 1.00 0.00 C ATOM 0 H LEU A 67 -3.055 8.990 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.245 8.928 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.312 10.434 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.301 11.097 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.319 12.137 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.834 12.164 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.378 10.525 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.192 11.001 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.081 13.847 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.675 12.792 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.642 13.424 -4.711 1.00 0.00 H new ATOM 945 N GLU A 68 -1.653 10.164 -1.321 1.00 0.00 N ATOM 946 CA GLU A 68 -1.413 10.469 0.079 1.00 0.00 C ATOM 947 C GLU A 68 -0.723 9.290 0.768 1.00 0.00 C ATOM 948 O GLU A 68 0.417 9.407 1.214 1.00 0.00 O ATOM 949 CB GLU A 68 -2.716 10.835 0.792 1.00 0.00 C ATOM 950 CG GLU A 68 -3.141 12.266 0.458 1.00 0.00 C ATOM 951 CD GLU A 68 -3.323 13.096 1.730 1.00 0.00 C ATOM 952 OE1 GLU A 68 -4.379 12.922 2.375 1.00 0.00 O ATOM 953 OE2 GLU A 68 -2.401 13.885 2.030 1.00 0.00 O ATOM 0 H GLU A 68 -2.611 10.321 -1.633 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.752 11.334 0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.503 10.140 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.586 10.733 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.390 12.732 -0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.073 12.250 -0.106 1.00 0.00 H new ATOM 960 N ALA A 69 -1.444 8.181 0.835 1.00 0.00 N ATOM 961 CA ALA A 69 -0.916 6.981 1.462 1.00 0.00 C ATOM 962 C ALA A 69 0.483 6.696 0.911 1.00 0.00 C ATOM 963 O ALA A 69 1.416 6.454 1.674 1.00 0.00 O ATOM 964 CB ALA A 69 -1.882 5.817 1.232 1.00 0.00 C ATOM 0 H ALA A 69 -2.390 8.088 0.465 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.824 7.120 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.486 4.917 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.852 6.057 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.998 5.646 0.162 1.00 0.00 H new ATOM 970 N GLN A 70 0.583 6.736 -0.409 1.00 0.00 N ATOM 971 CA GLN A 70 1.852 6.485 -1.071 1.00 0.00 C ATOM 972 C GLN A 70 2.906 7.486 -0.594 1.00 0.00 C ATOM 973 O GLN A 70 4.058 7.119 -0.366 1.00 0.00 O ATOM 974 CB GLN A 70 1.697 6.535 -2.592 1.00 0.00 C ATOM 975 CG GLN A 70 0.926 5.318 -3.105 1.00 0.00 C ATOM 976 CD GLN A 70 1.882 4.195 -3.514 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.672 3.700 -2.727 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.767 3.824 -4.786 1.00 0.00 N ATOM 0 H GLN A 70 -0.194 6.938 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 70 2.185 5.482 -0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.175 7.448 -2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.681 6.571 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.248 4.959 -2.330 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.311 5.606 -3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.084 4.281 -5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.362 3.083 -5.157 1.00 0.00 H new ATOM 987 N ASN A 71 2.475 8.731 -0.457 1.00 0.00 N ATOM 988 CA ASN A 71 3.367 9.788 -0.011 1.00 0.00 C ATOM 989 C ASN A 71 4.049 9.359 1.290 1.00 0.00 C ATOM 990 O ASN A 71 5.275 9.387 1.391 1.00 0.00 O ATOM 991 CB ASN A 71 2.596 11.080 0.264 1.00 0.00 C ATOM 992 CG ASN A 71 3.139 12.233 -0.583 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.201 12.778 -0.328 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.354 12.574 -1.601 1.00 0.00 N ATOM 0 H ASN A 71 1.519 9.032 -0.647 1.00 0.00 H new ATOM 0 HA ASN A 71 4.099 9.966 -0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.539 10.930 0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.670 11.334 1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.628 13.333 -2.225 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.478 12.076 -1.758 1.00 0.00 H new ATOM 1001 N LYS A 72 3.226 8.971 2.252 1.00 0.00 N ATOM 1002 CA LYS A 72 3.734 8.536 3.542 1.00 0.00 C ATOM 1003 C LYS A 72 4.879 7.544 3.326 1.00 0.00 C ATOM 1004 O LYS A 72 6.010 7.797 3.739 1.00 0.00 O ATOM 1005 CB LYS A 72 2.599 7.987 4.408 1.00 0.00 C ATOM 1006 CG LYS A 72 1.833 9.121 5.093 1.00 0.00 C ATOM 1007 CD LYS A 72 2.647 9.716 6.243 1.00 0.00 C ATOM 1008 CE LYS A 72 2.810 8.705 7.380 1.00 0.00 C ATOM 1009 NZ LYS A 72 3.503 9.327 8.531 1.00 0.00 N ATOM 0 H LYS A 72 2.210 8.949 2.164 1.00 0.00 H new ATOM 0 HA LYS A 72 4.144 9.381 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.916 7.403 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.005 7.311 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.601 9.899 4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.882 8.746 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.628 10.021 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.153 10.613 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.832 8.338 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.377 7.843 7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.098 8.965 9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.516 9.095 8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.383 10.359 8.492 1.00 0.00 H new ATOM 1023 N ILE A 73 4.545 6.436 2.680 1.00 0.00 N ATOM 1024 CA ILE A 73 5.531 5.405 2.405 1.00 0.00 C ATOM 1025 C ILE A 73 6.814 6.058 1.887 1.00 0.00 C ATOM 1026 O ILE A 73 7.906 5.754 2.364 1.00 0.00 O ATOM 1027 CB ILE A 73 4.953 4.350 1.460 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.793 3.601 2.118 1.00 0.00 C ATOM 1029 CG2 ILE A 73 6.045 3.398 0.968 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.630 3.423 1.140 1.00 0.00 C ATOM 0 H ILE A 73 3.606 6.230 2.339 1.00 0.00 H new ATOM 0 HA ILE A 73 5.791 4.872 3.320 1.00 0.00 H new ATOM 0 HB ILE A 73 4.551 4.859 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.135 2.625 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.453 4.149 2.997 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.608 2.658 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.808 3.964 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.498 2.892 1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.819 2.888 1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.275 4.401 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.967 2.853 0.274 1.00 0.00 H new ATOM 1042 N LYS A 74 6.640 6.943 0.917 1.00 0.00 N ATOM 1043 CA LYS A 74 7.771 7.642 0.329 1.00 0.00 C ATOM 1044 C LYS A 74 8.615 8.264 1.442 1.00 0.00 C ATOM 1045 O LYS A 74 9.842 8.296 1.352 1.00 0.00 O ATOM 1046 CB LYS A 74 7.292 8.650 -0.718 1.00 0.00 C ATOM 1047 CG LYS A 74 7.713 8.222 -2.125 1.00 0.00 C ATOM 1048 CD LYS A 74 7.170 9.190 -3.178 1.00 0.00 C ATOM 1049 CE LYS A 74 6.811 8.452 -4.469 1.00 0.00 C ATOM 1050 NZ LYS A 74 6.343 9.406 -5.499 1.00 0.00 N ATOM 0 H LYS A 74 5.733 7.193 0.523 1.00 0.00 H new ATOM 0 HA LYS A 74 8.415 6.944 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.207 8.740 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.704 9.634 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.801 8.184 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.347 7.216 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.288 9.699 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.914 9.958 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.681 7.908 -4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.034 7.714 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.104 8.888 -6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.500 9.907 -5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.096 10.094 -5.702 1.00 0.00 H new ATOM 1064 N ALA A 75 7.925 8.744 2.466 1.00 0.00 N ATOM 1065 CA ALA A 75 8.597 9.364 3.596 1.00 0.00 C ATOM 1066 C ALA A 75 8.810 8.319 4.693 1.00 0.00 C ATOM 1067 O ALA A 75 8.550 8.583 5.866 1.00 0.00 O ATOM 1068 CB ALA A 75 7.778 10.561 4.083 1.00 0.00 C ATOM 0 H ALA A 75 6.908 8.716 2.537 1.00 0.00 H new ATOM 0 HA ALA A 75 9.578 9.738 3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.282 11.026 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.680 11.287 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.788 10.224 4.390 1.00 0.00 H new ATOM 1074 N CYS A 76 9.282 7.154 4.273 1.00 0.00 N ATOM 1075 CA CYS A 76 9.533 6.069 5.205 1.00 0.00 C ATOM 1076 C CYS A 76 11.012 6.102 5.594 1.00 0.00 C ATOM 1077 O CYS A 76 11.811 6.783 4.953 1.00 0.00 O ATOM 1078 CB CYS A 76 9.128 4.715 4.619 1.00 0.00 C ATOM 1079 SG CYS A 76 10.171 4.323 3.168 1.00 0.00 S ATOM 0 H CYS A 76 9.497 6.938 3.299 1.00 0.00 H new ATOM 0 HA CYS A 76 8.921 6.204 6.097 1.00 0.00 H new ATOM 0 HB2 CYS A 76 9.234 3.936 5.374 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.078 4.735 4.327 1.00 0.00 H new ATOM 0 HG CYS A 76 9.661 4.872 2.106 1.00 0.00 H new ATOM 1085 N THR A 77 11.332 5.358 6.643 1.00 0.00 N ATOM 1086 CA THR A 77 12.702 5.295 7.125 1.00 0.00 C ATOM 1087 C THR A 77 12.829 4.245 8.231 1.00 0.00 C ATOM 1088 O THR A 77 12.164 4.339 9.261 1.00 0.00 O ATOM 1089 CB THR A 77 13.112 6.699 7.571 1.00 0.00 C ATOM 1090 OG1 THR A 77 14.373 6.508 8.207 1.00 0.00 O ATOM 1091 CG2 THR A 77 12.214 7.247 8.682 1.00 0.00 C ATOM 0 H THR A 77 10.667 4.794 7.172 1.00 0.00 H new ATOM 0 HA THR A 77 13.385 4.977 6.337 1.00 0.00 H new ATOM 0 HB THR A 77 13.083 7.373 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.713 7.370 8.526 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.549 8.246 8.961 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.185 7.295 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.268 6.590 9.550 1.00 0.00 H new ATOM 1099 N GLY A 78 13.688 3.268 7.979 1.00 0.00 N ATOM 1100 CA GLY A 78 13.912 2.201 8.940 1.00 0.00 C ATOM 1101 C GLY A 78 12.870 1.092 8.780 1.00 0.00 C ATOM 1102 O GLY A 78 13.173 0.023 8.253 1.00 0.00 O ATOM 0 H GLY A 78 14.237 3.193 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.912 1.788 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.868 2.603 9.952 1.00 0.00 H new ATOM 1106 N SER A 79 11.664 1.385 9.244 1.00 0.00 N ATOM 1107 CA SER A 79 10.576 0.426 9.159 1.00 0.00 C ATOM 1108 C SER A 79 9.267 1.147 8.835 1.00 0.00 C ATOM 1109 O SER A 79 9.177 2.367 8.965 1.00 0.00 O ATOM 1110 CB SER A 79 10.437 -0.366 10.461 1.00 0.00 C ATOM 1111 OG SER A 79 10.657 0.449 11.608 1.00 0.00 O ATOM 0 H SER A 79 11.416 2.273 9.680 1.00 0.00 H new ATOM 0 HA SER A 79 10.803 -0.278 8.359 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.441 -0.805 10.514 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.149 -1.191 10.461 1.00 0.00 H new ATOM 0 HG SER A 79 10.558 -0.093 12.418 1.00 0.00 H new ATOM 1117 N LEU A 80 8.284 0.363 8.418 1.00 0.00 N ATOM 1118 CA LEU A 80 6.983 0.912 8.074 1.00 0.00 C ATOM 1119 C LEU A 80 5.915 0.280 8.968 1.00 0.00 C ATOM 1120 O LEU A 80 5.612 -0.905 8.837 1.00 0.00 O ATOM 1121 CB LEU A 80 6.710 0.745 6.578 1.00 0.00 C ATOM 1122 CG LEU A 80 5.622 1.646 5.990 1.00 0.00 C ATOM 1123 CD1 LEU A 80 6.067 3.110 5.985 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.208 1.168 4.597 1.00 0.00 C ATOM 0 H LEU A 80 8.362 -0.648 8.310 1.00 0.00 H new ATOM 0 HA LEU A 80 6.961 1.986 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.638 0.929 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.434 -0.293 6.393 1.00 0.00 H new ATOM 0 HG LEU A 80 4.741 1.579 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.276 3.729 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.273 3.431 7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.970 3.214 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.434 1.826 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.073 1.187 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.822 0.151 4.661 1.00 0.00 H new ATOM 1136 N ASN A 81 5.373 1.098 9.858 1.00 0.00 N ATOM 1137 CA ASN A 81 4.345 0.634 10.773 1.00 0.00 C ATOM 1138 C ASN A 81 2.969 1.031 10.233 1.00 0.00 C ATOM 1139 O ASN A 81 2.614 2.209 10.235 1.00 0.00 O ATOM 1140 CB ASN A 81 4.511 1.269 12.156 1.00 0.00 C ATOM 1141 CG ASN A 81 5.287 0.343 13.094 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.761 -0.190 14.058 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.564 0.182 12.761 1.00 0.00 N ATOM 0 H ASN A 81 5.627 2.080 9.965 1.00 0.00 H new ATOM 0 HA ASN A 81 4.435 -0.449 10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.035 2.220 12.063 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.531 1.485 12.581 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.167 -0.417 13.325 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.941 0.657 11.941 1.00 0.00 H new ATOM 1150 N MET A 82 2.233 0.026 9.783 1.00 0.00 N ATOM 1151 CA MET A 82 0.905 0.255 9.241 1.00 0.00 C ATOM 1152 C MET A 82 -0.095 -0.765 9.789 1.00 0.00 C ATOM 1153 O MET A 82 0.255 -1.922 10.016 1.00 0.00 O ATOM 1154 CB MET A 82 0.952 0.155 7.715 1.00 0.00 C ATOM 1155 CG MET A 82 2.157 0.912 7.153 1.00 0.00 C ATOM 1156 SD MET A 82 2.132 0.862 5.369 1.00 0.00 S ATOM 1157 CE MET A 82 2.321 -0.893 5.105 1.00 0.00 C ATOM 0 H MET A 82 2.531 -0.949 9.783 1.00 0.00 H new ATOM 0 HA MET A 82 0.579 1.251 9.539 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.005 -0.892 7.417 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.033 0.561 7.292 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.139 1.946 7.496 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.081 0.469 7.524 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.835 -1.175 4.171 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.381 -1.141 5.052 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.863 -1.437 5.931 1.00 0.00 H new ATOM 1167 N THR A 83 -1.320 -0.300 9.984 1.00 0.00 N ATOM 1168 CA THR A 83 -2.373 -1.158 10.501 1.00 0.00 C ATOM 1169 C THR A 83 -3.124 -1.831 9.351 1.00 0.00 C ATOM 1170 O THR A 83 -3.213 -1.280 8.255 1.00 0.00 O ATOM 1171 CB THR A 83 -3.273 -0.310 11.402 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.364 0.358 12.272 1.00 0.00 O ATOM 1173 CG2 THR A 83 -4.130 -1.162 12.341 1.00 0.00 C ATOM 0 H THR A 83 -1.607 0.660 9.793 1.00 0.00 H new ATOM 0 HA THR A 83 -1.963 -1.971 11.100 1.00 0.00 H new ATOM 0 HB THR A 83 -3.920 0.313 10.785 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.189 1.261 11.932 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.750 -0.512 12.958 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.769 -1.821 11.753 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.483 -1.761 12.981 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.647 -3.014 9.641 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.388 -3.769 8.645 1.00 0.00 C ATOM 1183 C LEU A 84 -5.772 -4.114 9.198 1.00 0.00 C ATOM 1184 O LEU A 84 -6.026 -3.950 10.390 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.585 -4.990 8.191 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.175 -4.710 7.670 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.452 -6.011 7.316 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.210 -3.735 6.491 1.00 0.00 C ATOM 0 H LEU A 84 -3.572 -3.468 10.551 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.543 -3.168 7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.510 -5.683 9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.146 -5.498 7.407 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.605 -4.232 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.452 -5.783 6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.378 -6.639 8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.011 -6.539 6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.195 -3.553 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.803 -4.163 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.658 -2.794 6.810 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.631 -4.584 8.305 1.00 0.00 N ATOM 1201 CA GLN A 85 -7.983 -4.953 8.689 1.00 0.00 C ATOM 1202 C GLN A 85 -8.313 -6.359 8.185 1.00 0.00 C ATOM 1203 O GLN A 85 -7.995 -6.706 7.048 1.00 0.00 O ATOM 1204 CB GLN A 85 -8.998 -3.933 8.171 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.428 -4.369 8.495 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.011 -3.535 9.637 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -10.582 -3.611 10.777 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -12.009 -2.737 9.270 1.00 0.00 N ATOM 0 H GLN A 85 -6.417 -4.718 7.317 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.043 -4.955 9.777 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.801 -2.959 8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.885 -3.817 7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.053 -4.265 7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.437 -5.424 8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.319 -2.722 8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.464 -2.140 9.960 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.946 -7.132 9.055 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.323 -8.493 8.712 1.00 0.00 C ATOM 1219 C ARG A 86 -10.557 -8.490 7.808 1.00 0.00 C ATOM 1220 O ARG A 86 -11.368 -7.567 7.861 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.621 -9.315 9.967 1.00 0.00 C ATOM 1222 CG ARG A 86 -11.043 -9.057 10.467 1.00 0.00 C ATOM 1223 CD ARG A 86 -11.229 -7.589 10.857 1.00 0.00 C ATOM 1224 NE ARG A 86 -12.524 -7.409 11.550 1.00 0.00 N ATOM 1225 CZ ARG A 86 -12.800 -7.900 12.766 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -11.872 -8.603 13.431 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -14.002 -7.688 13.318 1.00 0.00 N ATOM 0 H ARG A 86 -9.207 -6.842 9.997 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.483 -8.947 8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.495 -10.376 9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.905 -9.063 10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.760 -9.324 9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.252 -9.695 11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.413 -7.270 11.506 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.193 -6.961 9.967 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.252 -6.878 11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.956 -8.764 13.011 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.082 -8.977 14.357 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.708 -7.153 12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.211 -8.062 14.244 1.00 0.00 H new ATOM 1241 N ALA A 87 -10.661 -9.534 6.999 1.00 0.00 N ATOM 1242 CA ALA A 87 -11.783 -9.664 6.084 1.00 0.00 C ATOM 1243 C ALA A 87 -11.862 -11.107 5.582 1.00 0.00 C ATOM 1244 O ALA A 87 -11.144 -11.487 4.659 1.00 0.00 O ATOM 1245 CB ALA A 87 -11.630 -8.657 4.942 1.00 0.00 C ATOM 0 H ALA A 87 -9.987 -10.298 6.958 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.721 -9.440 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.471 -8.754 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.609 -7.646 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.701 -8.852 4.407 1.00 0.00 H new ATOM 1251 N SER A 88 -12.742 -11.871 6.212 1.00 0.00 N ATOM 1252 CA SER A 88 -12.925 -13.264 5.841 1.00 0.00 C ATOM 1253 C SER A 88 -14.295 -13.755 6.310 1.00 0.00 C ATOM 1254 O SER A 88 -14.930 -13.124 7.154 1.00 0.00 O ATOM 1255 CB SER A 88 -11.817 -14.141 6.429 1.00 0.00 C ATOM 1256 OG SER A 88 -10.827 -14.472 5.460 1.00 0.00 O ATOM 0 H SER A 88 -13.336 -11.552 6.977 1.00 0.00 H new ATOM 0 HA SER A 88 -12.872 -13.338 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.347 -13.621 7.264 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.253 -15.056 6.829 1.00 0.00 H new ATOM 0 HG SER A 88 -10.619 -13.680 4.921 1.00 0.00 H new ATOM 1262 N ALA A 89 -14.713 -14.877 5.742 1.00 0.00 N ATOM 1263 CA ALA A 89 -15.997 -15.461 6.092 1.00 0.00 C ATOM 1264 C ALA A 89 -15.786 -16.562 7.133 1.00 0.00 C ATOM 1265 O ALA A 89 -15.216 -17.608 6.828 1.00 0.00 O ATOM 1266 CB ALA A 89 -16.684 -15.979 4.826 1.00 0.00 C ATOM 0 H ALA A 89 -14.185 -15.397 5.041 1.00 0.00 H new ATOM 0 HA ALA A 89 -16.652 -14.711 6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.647 -16.417 5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.838 -15.153 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.057 -16.736 4.356 1.00 0.00 H new ATOM 1272 N ALA A 90 -16.256 -16.288 8.341 1.00 0.00 N ATOM 1273 CA ALA A 90 -16.126 -17.242 9.429 1.00 0.00 C ATOM 1274 C ALA A 90 -16.904 -18.513 9.082 1.00 0.00 C ATOM 1275 O ALA A 90 -17.673 -18.532 8.122 1.00 0.00 O ATOM 1276 CB ALA A 90 -16.608 -16.600 10.731 1.00 0.00 C ATOM 0 H ALA A 90 -16.728 -15.419 8.590 1.00 0.00 H new ATOM 0 HA ALA A 90 -15.082 -17.523 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.511 -17.316 11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.004 -15.718 10.947 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.653 -16.308 10.628 1.00 0.00 H new ATOM 1282 N ALA A 91 -16.677 -19.544 9.883 1.00 0.00 N ATOM 1283 CA ALA A 91 -17.347 -20.816 9.673 1.00 0.00 C ATOM 1284 C ALA A 91 -17.524 -21.522 11.018 1.00 0.00 C ATOM 1285 O ALA A 91 -16.922 -21.127 12.015 1.00 0.00 O ATOM 1286 CB ALA A 91 -16.547 -21.656 8.675 1.00 0.00 C ATOM 0 H ALA A 91 -16.039 -19.524 10.678 1.00 0.00 H new ATOM 0 HA ALA A 91 -18.339 -20.662 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -17.050 -22.610 8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.474 -21.123 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.546 -21.834 9.069 1.00 0.00 H new ATOM 1292 N LYS A 92 -18.354 -22.556 11.003 1.00 0.00 N ATOM 1293 CA LYS A 92 -18.618 -23.321 12.210 1.00 0.00 C ATOM 1294 C LYS A 92 -18.229 -24.782 11.978 1.00 0.00 C ATOM 1295 O LYS A 92 -18.627 -25.384 10.982 1.00 0.00 O ATOM 1296 CB LYS A 92 -20.070 -23.134 12.656 1.00 0.00 C ATOM 1297 CG LYS A 92 -20.233 -21.848 13.467 1.00 0.00 C ATOM 1298 CD LYS A 92 -20.345 -20.630 12.548 1.00 0.00 C ATOM 1299 CE LYS A 92 -21.804 -20.206 12.374 1.00 0.00 C ATOM 1300 NZ LYS A 92 -22.044 -18.897 13.022 1.00 0.00 N ATOM 0 H LYS A 92 -18.852 -22.881 10.174 1.00 0.00 H new ATOM 0 HA LYS A 92 -18.006 -22.955 13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -20.721 -23.102 11.783 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -20.383 -23.989 13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -21.123 -21.919 14.093 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -19.382 -21.726 14.136 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -19.769 -19.803 12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -19.912 -20.863 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -22.047 -20.143 11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -22.462 -20.959 12.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -23.039 -18.624 12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -21.832 -18.968 14.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -21.430 -18.178 12.590 1.00 0.00 H new ATOM 1314 N SER A 93 -17.455 -25.311 12.914 1.00 0.00 N ATOM 1315 CA SER A 93 -17.007 -26.690 12.824 1.00 0.00 C ATOM 1316 C SER A 93 -17.941 -27.597 13.628 1.00 0.00 C ATOM 1317 O SER A 93 -18.185 -27.352 14.809 1.00 0.00 O ATOM 1318 CB SER A 93 -15.567 -26.836 13.321 1.00 0.00 C ATOM 1319 OG SER A 93 -14.761 -27.581 12.412 1.00 0.00 O ATOM 0 H SER A 93 -17.127 -24.809 13.739 1.00 0.00 H new ATOM 0 HA SER A 93 -17.032 -26.990 11.776 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.131 -25.847 13.465 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.567 -27.329 14.293 1.00 0.00 H new ATOM 0 HG SER A 93 -13.849 -27.650 12.764 1.00 0.00 H new ATOM 1325 N GLU A 94 -18.438 -28.626 12.957 1.00 0.00 N ATOM 1326 CA GLU A 94 -19.339 -29.570 13.594 1.00 0.00 C ATOM 1327 C GLU A 94 -18.554 -30.539 14.480 1.00 0.00 C ATOM 1328 O GLU A 94 -17.356 -30.735 14.281 1.00 0.00 O ATOM 1329 CB GLU A 94 -20.167 -30.327 12.553 1.00 0.00 C ATOM 1330 CG GLU A 94 -21.364 -29.493 12.092 1.00 0.00 C ATOM 1331 CD GLU A 94 -21.775 -29.865 10.666 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -20.967 -29.591 9.753 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -22.888 -30.415 10.522 1.00 0.00 O ATOM 0 H GLU A 94 -18.233 -28.826 11.978 1.00 0.00 H new ATOM 0 HA GLU A 94 -20.031 -29.012 14.224 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -19.541 -30.576 11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -20.517 -31.269 12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -22.204 -29.650 12.769 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.112 -28.433 12.137 1.00 0.00 H new ATOM 1340 N PRO A 95 -19.279 -31.135 15.464 1.00 0.00 N ATOM 1341 CA PRO A 95 -18.662 -32.079 16.381 1.00 0.00 C ATOM 1342 C PRO A 95 -18.417 -33.426 15.698 1.00 0.00 C ATOM 1343 O PRO A 95 -19.160 -33.814 14.798 1.00 0.00 O ATOM 1344 CB PRO A 95 -19.624 -32.173 17.554 1.00 0.00 C ATOM 1345 CG PRO A 95 -20.955 -31.643 17.045 1.00 0.00 C ATOM 1346 CD PRO A 95 -20.699 -30.927 15.730 1.00 0.00 C ATOM 0 HA PRO A 95 -17.676 -31.757 16.717 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.720 -33.203 17.899 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -19.267 -31.585 18.400 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -21.662 -32.460 16.903 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -21.397 -30.961 17.771 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -21.316 -31.336 14.930 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -20.936 -29.866 15.804 1.00 0.00 H new ATOM 1354 N VAL A 96 -17.373 -34.103 16.153 1.00 0.00 N ATOM 1355 CA VAL A 96 -17.021 -35.398 15.598 1.00 0.00 C ATOM 1356 C VAL A 96 -17.202 -36.474 16.670 1.00 0.00 C ATOM 1357 O VAL A 96 -16.922 -36.238 17.845 1.00 0.00 O ATOM 1358 CB VAL A 96 -15.602 -35.355 15.028 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -14.566 -35.209 16.145 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -15.316 -36.592 14.173 1.00 0.00 C ATOM 0 H VAL A 96 -16.759 -33.778 16.900 1.00 0.00 H new ATOM 0 HA VAL A 96 -17.682 -35.650 14.769 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.527 -34.478 14.385 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.566 -35.181 15.712 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -14.750 -34.285 16.693 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -14.643 -36.057 16.826 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.301 -36.536 13.780 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.420 -37.489 14.784 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.024 -36.634 13.345 1.00 0.00 H new ATOM 1370 N SER A 97 -17.668 -37.633 16.228 1.00 0.00 N ATOM 1371 CA SER A 97 -17.889 -38.746 17.136 1.00 0.00 C ATOM 1372 C SER A 97 -17.064 -39.955 16.691 1.00 0.00 C ATOM 1373 O SER A 97 -17.055 -40.305 15.512 1.00 0.00 O ATOM 1374 CB SER A 97 -19.373 -39.112 17.206 1.00 0.00 C ATOM 1375 OG SER A 97 -19.891 -38.990 18.528 1.00 0.00 O ATOM 0 H SER A 97 -17.899 -37.825 15.253 1.00 0.00 H new ATOM 0 HA SER A 97 -17.570 -38.444 18.133 1.00 0.00 H new ATOM 0 HB2 SER A 97 -19.938 -38.466 16.534 1.00 0.00 H new ATOM 0 HB3 SER A 97 -19.511 -40.135 16.855 1.00 0.00 H new ATOM 0 HG SER A 97 -20.841 -39.231 18.531 1.00 0.00 H new ATOM 1381 N SER A 98 -16.392 -40.561 17.659 1.00 0.00 N ATOM 1382 CA SER A 98 -15.566 -41.724 17.382 1.00 0.00 C ATOM 1383 C SER A 98 -15.070 -42.338 18.693 1.00 0.00 C ATOM 1384 O SER A 98 -14.841 -41.625 19.669 1.00 0.00 O ATOM 1385 CB SER A 98 -14.381 -41.357 16.486 1.00 0.00 C ATOM 1386 OG SER A 98 -13.324 -40.747 17.222 1.00 0.00 O ATOM 0 H SER A 98 -16.403 -40.268 18.636 1.00 0.00 H new ATOM 0 HA SER A 98 -16.174 -42.457 16.852 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.008 -42.254 15.992 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.716 -40.678 15.702 1.00 0.00 H new ATOM 0 HG SER A 98 -12.586 -40.529 16.615 1.00 0.00 H new ATOM 1392 N GLY A 99 -14.919 -43.654 18.673 1.00 0.00 N ATOM 1393 CA GLY A 99 -14.455 -44.372 19.848 1.00 0.00 C ATOM 1394 C GLY A 99 -13.057 -43.905 20.258 1.00 0.00 C ATOM 1395 O GLY A 99 -12.224 -43.603 19.405 1.00 0.00 O ATOM 0 H GLY A 99 -15.110 -44.242 17.862 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.151 -44.216 20.672 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.439 -45.442 19.642 1.00 0.00 H new ATOM 1399 N PRO A 100 -12.836 -43.860 21.600 1.00 0.00 N ATOM 1400 CA PRO A 100 -11.553 -43.436 22.134 1.00 0.00 C ATOM 1401 C PRO A 100 -10.499 -44.531 21.962 1.00 0.00 C ATOM 1402 O PRO A 100 -10.781 -45.709 22.176 1.00 0.00 O ATOM 1403 CB PRO A 100 -11.826 -43.097 23.590 1.00 0.00 C ATOM 1404 CG PRO A 100 -13.138 -43.782 23.939 1.00 0.00 C ATOM 1405 CD PRO A 100 -13.799 -44.211 22.639 1.00 0.00 C ATOM 0 HA PRO A 100 -11.142 -42.574 21.609 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.018 -43.450 24.231 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.898 -42.019 23.733 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.959 -44.646 24.580 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -13.788 -43.104 24.492 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.012 -45.280 22.637 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -14.748 -43.697 22.489 1.00 0.00 H new ATOM 1413 N SER A 101 -9.305 -44.104 21.578 1.00 0.00 N ATOM 1414 CA SER A 101 -8.207 -45.033 21.375 1.00 0.00 C ATOM 1415 C SER A 101 -7.136 -44.820 22.447 1.00 0.00 C ATOM 1416 O SER A 101 -6.673 -43.699 22.652 1.00 0.00 O ATOM 1417 CB SER A 101 -7.600 -44.874 19.980 1.00 0.00 C ATOM 1418 OG SER A 101 -7.840 -46.014 19.159 1.00 0.00 O ATOM 0 H SER A 101 -9.074 -43.126 21.402 1.00 0.00 H new ATOM 0 HA SER A 101 -8.598 -46.047 21.457 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.018 -43.988 19.502 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.526 -44.711 20.069 1.00 0.00 H new ATOM 0 HG SER A 101 -7.438 -45.872 18.277 1.00 0.00 H new ATOM 1424 N SER A 102 -6.774 -45.913 23.102 1.00 0.00 N ATOM 1425 CA SER A 102 -5.766 -45.860 24.147 1.00 0.00 C ATOM 1426 C SER A 102 -4.503 -46.595 23.695 1.00 0.00 C ATOM 1427 O SER A 102 -4.582 -47.569 22.947 1.00 0.00 O ATOM 1428 CB SER A 102 -6.293 -46.462 25.452 1.00 0.00 C ATOM 1429 OG SER A 102 -6.641 -45.458 26.401 1.00 0.00 O ATOM 0 H SER A 102 -7.161 -46.841 22.929 1.00 0.00 H new ATOM 0 HA SER A 102 -5.522 -44.814 24.333 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.166 -47.079 25.240 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.536 -47.119 25.880 1.00 0.00 H new ATOM 0 HG SER A 102 -6.974 -45.883 27.219 1.00 0.00 H new ATOM 1435 N GLY A 103 -3.368 -46.102 24.168 1.00 0.00 N ATOM 1436 CA GLY A 103 -2.090 -46.700 23.822 1.00 0.00 C ATOM 1437 C GLY A 103 -1.251 -46.964 25.073 1.00 0.00 C ATOM 1438 O GLY A 103 -0.901 -46.033 25.797 1.00 0.00 O ATOM 0 H GLY A 103 -3.307 -45.295 24.788 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.255 -47.635 23.287 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -1.546 -46.039 23.148 1.00 0.00 H new TER 1442 GLY A 103