USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 993 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 76 CYS SG : rot -118:sc= -1.02 USER MOD Set 1.2: A 102 TYR OH : rot 49:sc= 0.217 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0644 (180deg=-0.4) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.34) USER MOD Single : A 8 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.024) USER MOD Single : A 9 SER OG : rot 180:sc= -0.087 USER MOD Single : A 10 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-4.7!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.706 K(o=-0.71,f=-12!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 17 THR OG1 : rot 87:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.878 USER MOD Single : A 31 LYS NZ :NH3+ -171:sc=-0.00355 (180deg=-0.0991) USER MOD Single : A 32 LYS NZ :NH3+ -137:sc= -1.94! (180deg=-4.58!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.012 USER MOD Single : A 42 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.45) USER MOD Single : A 44 SER OG : rot -170:sc= -0.0369 USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.12) USER MOD Single : A 52 CYS SG : rot 67:sc= -1.41 USER MOD Single : A 62 THR OG1 : rot 91:sc= 1.18 USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= -0.0092 (180deg=-0.177) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 160:sc=-0.000863 USER MOD Single : A 79 ASN : amide:sc= 0.593 K(o=0.59,f=-7.7!) USER MOD Single : A 87 CYS SG : rot 157:sc= -2.6! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 103 GLN : amide:sc= 0.135 X(o=0.14,f=-0.021) USER MOD Single : A 105 GLN : amide:sc= -0.0628 X(o=-0.063,f=-0.068) USER MOD Single : A 106 ASN : amide:sc= 0.924 K(o=0.92,f=0) USER MOD Single : A 108 ASN : amide:sc= -1.15 K(o=-1.1,f=-12!) USER MOD Single : A 109 LYS NZ :NH3+ -160:sc= 1.39! (180deg=0.675) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 82:sc= 0.544 USER MOD Single : A 116 THR OG1 : rot 77:sc= 0.273 USER MOD Single : A 118 ASN : amide:sc= 0.669 K(o=0.67,f=-0.016) USER MOD Single : A 119 LYS NZ :NH3+ 167:sc= -0.027 (180deg=-0.242) USER MOD Single : A 121 THR OG1 : rot -87:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.393 32.462 -10.999 1.00 70.44 N ATOM 2 CA MET A 1 16.133 32.492 -11.795 1.00 5.05 C ATOM 3 C MET A 1 16.193 31.497 -12.965 1.00 12.24 C ATOM 4 O MET A 1 16.939 31.701 -13.924 1.00 2.10 O ATOM 5 CB MET A 1 15.874 33.911 -12.333 1.00 44.12 C ATOM 6 CG MET A 1 15.766 34.968 -11.240 1.00 73.33 C ATOM 7 SD MET A 1 15.568 36.640 -11.891 1.00 4.45 S ATOM 8 CE MET A 1 15.497 37.589 -10.366 1.00 73.05 C ATOM 0 H1 MET A 1 17.230 32.909 -10.074 1.00 70.44 H new ATOM 0 H2 MET A 1 17.692 31.476 -10.859 1.00 70.44 H new ATOM 0 H3 MET A 1 18.137 32.981 -11.508 1.00 70.44 H new ATOM 0 HA MET A 1 15.315 32.201 -11.136 1.00 5.05 H new ATOM 0 HB2 MET A 1 16.680 34.185 -13.014 1.00 44.12 H new ATOM 0 HB3 MET A 1 14.953 33.907 -12.915 1.00 44.12 H new ATOM 0 HG2 MET A 1 14.918 34.732 -10.597 1.00 73.33 H new ATOM 0 HG3 MET A 1 16.659 34.930 -10.617 1.00 73.33 H new ATOM 0 HE1 MET A 1 15.376 38.646 -10.601 1.00 73.05 H new ATOM 0 HE2 MET A 1 14.652 37.251 -9.766 1.00 73.05 H new ATOM 0 HE3 MET A 1 16.420 37.446 -9.805 1.00 73.05 H new ATOM 20 N GLY A 2 15.415 30.416 -12.877 1.00 33.11 N ATOM 21 CA GLY A 2 15.387 29.417 -13.945 1.00 10.33 C ATOM 22 C GLY A 2 14.947 28.033 -13.468 1.00 64.24 C ATOM 23 O GLY A 2 15.511 27.491 -12.516 1.00 10.22 O ATOM 0 H GLY A 2 14.803 30.212 -12.087 1.00 33.11 H new ATOM 0 HA2 GLY A 2 14.711 29.754 -14.731 1.00 10.33 H new ATOM 0 HA3 GLY A 2 16.380 29.342 -14.389 1.00 10.33 H new ATOM 27 N HIS A 3 13.933 27.469 -14.136 1.00 31.45 N ATOM 28 CA HIS A 3 13.398 26.126 -13.825 1.00 50.44 C ATOM 29 C HIS A 3 12.603 26.070 -12.502 1.00 41.14 C ATOM 30 O HIS A 3 11.575 25.398 -12.427 1.00 21.25 O ATOM 31 CB HIS A 3 14.515 25.067 -13.824 1.00 41.00 C ATOM 32 CG HIS A 3 15.095 24.800 -15.181 1.00 10.34 C ATOM 33 ND1 HIS A 3 16.332 25.258 -15.580 1.00 71.31 N ATOM 34 CD2 HIS A 3 14.600 24.108 -16.236 1.00 42.14 C ATOM 35 CE1 HIS A 3 16.570 24.866 -16.813 1.00 31.22 C ATOM 36 NE2 HIS A 3 15.538 24.167 -17.234 1.00 12.20 N ATOM 0 H HIS A 3 13.455 27.928 -14.911 1.00 31.45 H new ATOM 0 HA HIS A 3 12.691 25.899 -14.623 1.00 50.44 H new ATOM 0 HB2 HIS A 3 15.312 25.393 -13.156 1.00 41.00 H new ATOM 0 HB3 HIS A 3 14.120 24.136 -13.418 1.00 41.00 H new ATOM 0 HD2 HIS A 3 13.646 23.605 -16.282 1.00 42.14 H new ATOM 0 HE1 HIS A 3 17.462 25.082 -17.383 1.00 31.22 H new ATOM 0 HE2 HIS A 3 15.450 23.738 -18.155 1.00 12.20 H new ATOM 45 N HIS A 4 13.068 26.754 -11.458 1.00 42.41 N ATOM 46 CA HIS A 4 12.355 26.761 -10.171 1.00 42.33 C ATOM 47 C HIS A 4 11.009 27.501 -10.285 1.00 22.42 C ATOM 48 O HIS A 4 10.016 27.108 -9.667 1.00 62.12 O ATOM 49 CB HIS A 4 13.225 27.401 -9.082 1.00 12.45 C ATOM 50 CG HIS A 4 12.726 27.161 -7.682 1.00 44.02 C ATOM 51 ND1 HIS A 4 13.207 26.148 -6.884 1.00 52.45 N ATOM 52 CD2 HIS A 4 11.795 27.809 -6.934 1.00 21.22 C ATOM 53 CE1 HIS A 4 12.603 26.177 -5.714 1.00 63.24 C ATOM 54 NE2 HIS A 4 11.742 27.174 -5.715 1.00 24.20 N ATOM 0 H HIS A 4 13.925 27.306 -11.471 1.00 42.41 H new ATOM 0 HA HIS A 4 12.149 25.727 -9.895 1.00 42.33 H new ATOM 0 HB2 HIS A 4 14.240 27.013 -9.167 1.00 12.45 H new ATOM 0 HB3 HIS A 4 13.279 28.475 -9.259 1.00 12.45 H new ATOM 0 HD2 HIS A 4 11.207 28.662 -7.239 1.00 21.22 H new ATOM 0 HE1 HIS A 4 12.783 25.499 -4.893 1.00 63.24 H new ATOM 0 HE2 HIS A 4 11.134 27.433 -4.938 1.00 24.20 H new ATOM 63 N HIS A 5 10.990 28.582 -11.067 1.00 12.35 N ATOM 64 CA HIS A 5 9.752 29.327 -11.332 1.00 51.14 C ATOM 65 C HIS A 5 8.844 28.544 -12.301 1.00 15.33 C ATOM 66 O HIS A 5 7.683 28.276 -11.995 1.00 54.15 O ATOM 67 CB HIS A 5 10.075 30.720 -11.901 1.00 52.34 C ATOM 68 CG HIS A 5 8.875 31.616 -12.054 1.00 34.50 C ATOM 69 ND1 HIS A 5 8.733 32.523 -13.085 1.00 23.14 N ATOM 70 CD2 HIS A 5 7.762 31.753 -11.290 1.00 31.54 C ATOM 71 CE1 HIS A 5 7.593 33.170 -12.951 1.00 64.44 C ATOM 72 NE2 HIS A 5 6.987 32.723 -11.873 1.00 20.42 N ATOM 0 H HIS A 5 11.816 28.963 -11.529 1.00 12.35 H new ATOM 0 HA HIS A 5 9.218 29.454 -10.390 1.00 51.14 H new ATOM 0 HB2 HIS A 5 10.798 31.208 -11.248 1.00 52.34 H new ATOM 0 HB3 HIS A 5 10.553 30.601 -12.874 1.00 52.34 H new ATOM 0 HD2 HIS A 5 7.530 31.201 -10.391 1.00 31.54 H new ATOM 0 HE1 HIS A 5 7.220 33.937 -13.614 1.00 64.44 H new ATOM 0 HE2 HIS A 5 6.084 33.046 -11.526 1.00 20.42 H new ATOM 81 N HIS A 6 9.386 28.172 -13.462 1.00 32.31 N ATOM 82 CA HIS A 6 8.651 27.347 -14.432 1.00 50.55 C ATOM 83 C HIS A 6 8.937 25.852 -14.214 1.00 21.25 C ATOM 84 O HIS A 6 9.927 25.316 -14.717 1.00 54.20 O ATOM 85 CB HIS A 6 9.006 27.748 -15.872 1.00 21.11 C ATOM 86 CG HIS A 6 8.378 29.036 -16.313 1.00 43.54 C ATOM 87 ND1 HIS A 6 7.179 29.089 -16.988 1.00 44.34 N ATOM 88 CD2 HIS A 6 8.789 30.322 -16.186 1.00 72.14 C ATOM 89 CE1 HIS A 6 6.877 30.343 -17.256 1.00 71.13 C ATOM 90 NE2 HIS A 6 7.836 31.112 -16.782 1.00 12.34 N ATOM 0 H HIS A 6 10.329 28.426 -13.756 1.00 32.31 H new ATOM 0 HA HIS A 6 7.587 27.521 -14.274 1.00 50.55 H new ATOM 0 HB2 HIS A 6 10.089 27.834 -15.959 1.00 21.11 H new ATOM 0 HB3 HIS A 6 8.694 26.952 -16.548 1.00 21.11 H new ATOM 0 HD2 HIS A 6 9.695 30.661 -15.706 1.00 72.14 H new ATOM 0 HE1 HIS A 6 5.993 30.683 -17.776 1.00 71.13 H new ATOM 0 HE2 HIS A 6 7.866 32.129 -16.847 1.00 12.34 H new ATOM 99 N HIS A 7 8.070 25.188 -13.450 1.00 33.32 N ATOM 100 CA HIS A 7 8.256 23.766 -13.135 1.00 31.33 C ATOM 101 C HIS A 7 7.512 22.858 -14.134 1.00 41.54 C ATOM 102 O HIS A 7 6.283 22.778 -14.128 1.00 60.34 O ATOM 103 CB HIS A 7 7.812 23.467 -11.687 1.00 44.23 C ATOM 104 CG HIS A 7 6.339 23.635 -11.423 1.00 44.33 C ATOM 105 ND1 HIS A 7 5.545 22.627 -10.913 1.00 61.34 N ATOM 106 CD2 HIS A 7 5.519 24.702 -11.586 1.00 13.52 C ATOM 107 CE1 HIS A 7 4.308 23.064 -10.779 1.00 55.31 C ATOM 108 NE2 HIS A 7 4.265 24.317 -11.178 1.00 4.54 N ATOM 0 H HIS A 7 7.236 25.606 -13.038 1.00 33.32 H new ATOM 0 HA HIS A 7 9.320 23.546 -13.224 1.00 31.33 H new ATOM 0 HB2 HIS A 7 8.095 22.444 -11.441 1.00 44.23 H new ATOM 0 HB3 HIS A 7 8.363 24.122 -11.012 1.00 44.23 H new ATOM 0 HD2 HIS A 7 5.799 25.673 -11.966 1.00 13.52 H new ATOM 0 HE1 HIS A 7 3.472 22.491 -10.405 1.00 55.31 H new ATOM 0 HE2 HIS A 7 3.434 24.908 -11.184 1.00 4.54 H new ATOM 117 N HIS A 8 8.268 22.190 -15.005 1.00 31.10 N ATOM 118 CA HIS A 8 7.687 21.233 -15.958 1.00 55.23 C ATOM 119 C HIS A 8 7.140 19.994 -15.231 1.00 21.42 C ATOM 120 O HIS A 8 7.810 19.422 -14.370 1.00 64.33 O ATOM 121 CB HIS A 8 8.726 20.812 -17.011 1.00 60.14 C ATOM 122 CG HIS A 8 9.947 20.151 -16.438 1.00 35.31 C ATOM 123 ND1 HIS A 8 10.111 18.783 -16.385 1.00 34.23 N ATOM 124 CD2 HIS A 8 11.071 20.676 -15.894 1.00 24.02 C ATOM 125 CE1 HIS A 8 11.272 18.499 -15.835 1.00 43.24 C ATOM 126 NE2 HIS A 8 11.876 19.626 -15.528 1.00 63.45 N ATOM 0 H HIS A 8 9.281 22.290 -15.074 1.00 31.10 H new ATOM 0 HA HIS A 8 6.859 21.730 -16.464 1.00 55.23 H new ATOM 0 HB2 HIS A 8 8.255 20.129 -17.718 1.00 60.14 H new ATOM 0 HB3 HIS A 8 9.034 21.693 -17.575 1.00 60.14 H new ATOM 0 HD2 HIS A 8 11.293 21.726 -15.771 1.00 24.02 H new ATOM 0 HE1 HIS A 8 11.663 17.507 -15.664 1.00 43.24 H new ATOM 0 HE2 HIS A 8 12.793 19.707 -15.089 1.00 63.45 H new ATOM 135 N SER A 9 5.923 19.589 -15.580 1.00 22.11 N ATOM 136 CA SER A 9 5.272 18.436 -14.941 1.00 1.23 C ATOM 137 C SER A 9 5.698 17.107 -15.586 1.00 31.14 C ATOM 138 O SER A 9 6.516 17.078 -16.508 1.00 2.21 O ATOM 139 CB SER A 9 3.745 18.584 -15.008 1.00 3.22 C ATOM 140 OG SER A 9 3.085 17.537 -14.307 1.00 32.23 O ATOM 0 H SER A 9 5.361 20.039 -16.303 1.00 22.11 H new ATOM 0 HA SER A 9 5.591 18.417 -13.899 1.00 1.23 H new ATOM 0 HB2 SER A 9 3.453 19.545 -14.585 1.00 3.22 H new ATOM 0 HB3 SER A 9 3.424 18.583 -16.050 1.00 3.22 H new ATOM 0 HG SER A 9 2.115 17.663 -14.368 1.00 32.23 H new ATOM 146 N HIS A 10 5.129 16.010 -15.094 1.00 23.02 N ATOM 147 CA HIS A 10 5.478 14.665 -15.561 1.00 5.23 C ATOM 148 C HIS A 10 4.368 13.665 -15.195 1.00 31.21 C ATOM 149 O HIS A 10 3.550 13.935 -14.311 1.00 42.15 O ATOM 150 CB HIS A 10 6.818 14.239 -14.941 1.00 20.43 C ATOM 151 CG HIS A 10 7.294 12.884 -15.372 1.00 34.12 C ATOM 152 ND1 HIS A 10 7.216 11.769 -14.570 1.00 53.11 N ATOM 153 CD2 HIS A 10 7.862 12.468 -16.529 1.00 75.15 C ATOM 154 CE1 HIS A 10 7.713 10.731 -15.206 1.00 62.41 C ATOM 155 NE2 HIS A 10 8.111 11.126 -16.394 1.00 52.24 N ATOM 0 H HIS A 10 4.416 16.024 -14.364 1.00 23.02 H new ATOM 0 HA HIS A 10 5.577 14.676 -16.646 1.00 5.23 H new ATOM 0 HB2 HIS A 10 7.576 14.977 -15.201 1.00 20.43 H new ATOM 0 HB3 HIS A 10 6.722 14.249 -13.855 1.00 20.43 H new ATOM 0 HD2 HIS A 10 8.078 13.078 -17.394 1.00 75.15 H new ATOM 0 HE1 HIS A 10 7.782 9.725 -14.818 1.00 62.41 H new ATOM 0 HE2 HIS A 10 8.537 10.530 -17.103 1.00 52.24 H new ATOM 164 N MET A 11 4.322 12.519 -15.879 1.00 32.43 N ATOM 165 CA MET A 11 3.311 11.496 -15.586 1.00 34.10 C ATOM 166 C MET A 11 3.937 10.099 -15.426 1.00 61.42 C ATOM 167 O MET A 11 4.274 9.432 -16.407 1.00 15.13 O ATOM 168 CB MET A 11 2.232 11.480 -16.686 1.00 31.50 C ATOM 169 CG MET A 11 0.988 10.665 -16.334 1.00 34.22 C ATOM 170 SD MET A 11 1.331 8.906 -16.112 1.00 62.11 S ATOM 171 CE MET A 11 -0.290 8.293 -15.656 1.00 44.15 C ATOM 0 H MET A 11 4.965 12.276 -16.632 1.00 32.43 H new ATOM 0 HA MET A 11 2.847 11.756 -14.635 1.00 34.10 H new ATOM 0 HB2 MET A 11 1.932 12.506 -16.899 1.00 31.50 H new ATOM 0 HB3 MET A 11 2.668 11.079 -17.601 1.00 31.50 H new ATOM 0 HG2 MET A 11 0.549 11.061 -15.419 1.00 34.22 H new ATOM 0 HG3 MET A 11 0.246 10.787 -17.123 1.00 34.22 H new ATOM 0 HE1 MET A 11 -0.238 7.218 -15.486 1.00 44.15 H new ATOM 0 HE2 MET A 11 -0.623 8.789 -14.744 1.00 44.15 H new ATOM 0 HE3 MET A 11 -0.996 8.499 -16.460 1.00 44.15 H new ATOM 181 N ASN A 12 4.119 9.687 -14.177 1.00 75.44 N ATOM 182 CA ASN A 12 4.508 8.313 -13.837 1.00 43.34 C ATOM 183 C ASN A 12 3.430 7.696 -12.929 1.00 21.02 C ATOM 184 O ASN A 12 2.882 8.379 -12.059 1.00 11.24 O ATOM 185 CB ASN A 12 5.885 8.309 -13.139 1.00 14.32 C ATOM 186 CG ASN A 12 6.406 6.915 -12.805 1.00 73.45 C ATOM 187 OD1 ASN A 12 5.646 5.987 -12.564 1.00 33.44 O ATOM 188 ND2 ASN A 12 7.715 6.763 -12.772 1.00 50.22 N ATOM 0 H ASN A 12 4.002 10.294 -13.365 1.00 75.44 H new ATOM 0 HA ASN A 12 4.591 7.716 -14.745 1.00 43.34 H new ATOM 0 HB2 ASN A 12 6.608 8.812 -13.781 1.00 14.32 H new ATOM 0 HB3 ASN A 12 5.817 8.890 -12.220 1.00 14.32 H new ATOM 0 HD21 ASN A 12 8.117 5.855 -12.541 1.00 50.22 H new ATOM 0 HD22 ASN A 12 8.326 7.554 -12.977 1.00 50.22 H new ATOM 195 N SER A 13 3.124 6.412 -13.132 1.00 31.42 N ATOM 196 CA SER A 13 2.092 5.718 -12.338 1.00 1.43 C ATOM 197 C SER A 13 2.359 5.830 -10.826 1.00 53.34 C ATOM 198 O SER A 13 1.436 5.760 -10.016 1.00 61.14 O ATOM 199 CB SER A 13 2.008 4.235 -12.731 1.00 52.25 C ATOM 200 OG SER A 13 1.631 4.069 -14.089 1.00 5.23 O ATOM 0 H SER A 13 3.572 5.827 -13.837 1.00 31.42 H new ATOM 0 HA SER A 13 1.143 6.208 -12.556 1.00 1.43 H new ATOM 0 HB2 SER A 13 2.974 3.759 -12.561 1.00 52.25 H new ATOM 0 HB3 SER A 13 1.286 3.729 -12.089 1.00 52.25 H new ATOM 0 HG SER A 13 1.590 3.113 -14.303 1.00 5.23 H new ATOM 206 N ALA A 14 3.626 6.006 -10.455 1.00 12.21 N ATOM 207 CA ALA A 14 4.014 6.136 -9.046 1.00 62.40 C ATOM 208 C ALA A 14 3.689 7.527 -8.477 1.00 62.20 C ATOM 209 O ALA A 14 3.186 7.647 -7.360 1.00 51.20 O ATOM 210 CB ALA A 14 5.499 5.838 -8.886 1.00 11.35 C ATOM 0 H ALA A 14 4.406 6.062 -11.110 1.00 12.21 H new ATOM 0 HA ALA A 14 3.430 5.411 -8.479 1.00 62.40 H new ATOM 0 HB1 ALA A 14 5.779 5.937 -7.837 1.00 11.35 H new ATOM 0 HB2 ALA A 14 5.704 4.822 -9.222 1.00 11.35 H new ATOM 0 HB3 ALA A 14 6.078 6.542 -9.484 1.00 11.35 H new ATOM 216 N GLU A 15 3.964 8.572 -9.255 1.00 54.43 N ATOM 217 CA GLU A 15 3.794 9.962 -8.796 1.00 75.53 C ATOM 218 C GLU A 15 2.353 10.249 -8.338 1.00 33.31 C ATOM 219 O GLU A 15 2.128 10.715 -7.220 1.00 64.52 O ATOM 220 CB GLU A 15 4.199 10.931 -9.915 1.00 2.31 C ATOM 221 CG GLU A 15 5.642 10.754 -10.381 1.00 64.12 C ATOM 222 CD GLU A 15 5.987 11.598 -11.600 1.00 4.22 C ATOM 223 OE1 GLU A 15 5.182 11.633 -12.553 1.00 3.30 O ATOM 224 OE2 GLU A 15 7.082 12.192 -11.633 1.00 34.30 O ATOM 0 H GLU A 15 4.307 8.489 -10.212 1.00 54.43 H new ATOM 0 HA GLU A 15 4.442 10.108 -7.932 1.00 75.53 H new ATOM 0 HB2 GLU A 15 3.531 10.791 -10.765 1.00 2.31 H new ATOM 0 HB3 GLU A 15 4.061 11.954 -9.566 1.00 2.31 H new ATOM 0 HG2 GLU A 15 6.315 11.015 -9.564 1.00 64.12 H new ATOM 0 HG3 GLU A 15 5.815 9.703 -10.614 1.00 64.12 H new ATOM 231 N GLN A 16 1.383 9.965 -9.205 1.00 73.22 N ATOM 232 CA GLN A 16 -0.038 10.120 -8.861 1.00 54.03 C ATOM 233 C GLN A 16 -0.391 9.351 -7.574 1.00 4.43 C ATOM 234 O GLN A 16 -1.161 9.828 -6.739 1.00 45.03 O ATOM 235 CB GLN A 16 -0.917 9.627 -10.020 1.00 31.41 C ATOM 236 CG GLN A 16 -0.678 8.163 -10.388 1.00 71.23 C ATOM 237 CD GLN A 16 -1.570 7.671 -11.515 1.00 71.11 C ATOM 238 OE1 GLN A 16 -1.962 8.430 -12.394 1.00 41.45 O ATOM 239 NE2 GLN A 16 -1.896 6.393 -11.498 1.00 3.24 N ATOM 0 H GLN A 16 1.550 9.626 -10.152 1.00 73.22 H new ATOM 0 HA GLN A 16 -0.227 11.179 -8.686 1.00 54.03 H new ATOM 0 HB2 GLN A 16 -1.965 9.759 -9.752 1.00 31.41 H new ATOM 0 HB3 GLN A 16 -0.731 10.248 -10.896 1.00 31.41 H new ATOM 0 HG2 GLN A 16 0.365 8.034 -10.678 1.00 71.23 H new ATOM 0 HG3 GLN A 16 -0.843 7.543 -9.507 1.00 71.23 H new ATOM 0 HE21 GLN A 16 -1.552 5.789 -10.751 1.00 3.24 H new ATOM 0 HE22 GLN A 16 -2.492 6.009 -12.231 1.00 3.24 H new ATOM 248 N THR A 17 0.193 8.162 -7.418 1.00 41.32 N ATOM 249 CA THR A 17 -0.043 7.327 -6.235 1.00 22.12 C ATOM 250 C THR A 17 0.494 8.002 -4.964 1.00 30.23 C ATOM 251 O THR A 17 -0.112 7.903 -3.899 1.00 71.40 O ATOM 252 CB THR A 17 0.602 5.925 -6.390 1.00 0.04 C ATOM 253 OG1 THR A 17 0.131 5.302 -7.595 1.00 10.25 O ATOM 254 CG2 THR A 17 0.275 5.027 -5.201 1.00 44.01 C ATOM 0 H THR A 17 0.835 7.753 -8.097 1.00 41.32 H new ATOM 0 HA THR A 17 -1.122 7.205 -6.143 1.00 22.12 H new ATOM 0 HB THR A 17 1.683 6.059 -6.435 1.00 0.04 H new ATOM 0 HG1 THR A 17 0.700 5.571 -8.346 1.00 10.25 H new ATOM 0 HG21 THR A 17 0.742 4.052 -5.342 1.00 44.01 H new ATOM 0 HG22 THR A 17 0.654 5.482 -4.286 1.00 44.01 H new ATOM 0 HG23 THR A 17 -0.805 4.904 -5.124 1.00 44.01 H new ATOM 262 N VAL A 18 1.626 8.702 -5.087 1.00 25.31 N ATOM 263 CA VAL A 18 2.183 9.474 -3.969 1.00 63.25 C ATOM 264 C VAL A 18 1.167 10.516 -3.470 1.00 22.21 C ATOM 265 O VAL A 18 0.802 10.531 -2.292 1.00 31.25 O ATOM 266 CB VAL A 18 3.505 10.192 -4.360 1.00 54.22 C ATOM 267 CG1 VAL A 18 4.081 10.964 -3.172 1.00 73.11 C ATOM 268 CG2 VAL A 18 4.529 9.193 -4.900 1.00 14.31 C ATOM 0 H VAL A 18 2.174 8.751 -5.946 1.00 25.31 H new ATOM 0 HA VAL A 18 2.402 8.764 -3.172 1.00 63.25 H new ATOM 0 HB VAL A 18 3.276 10.907 -5.150 1.00 54.22 H new ATOM 0 HG11 VAL A 18 5.006 11.457 -3.472 1.00 73.11 H new ATOM 0 HG12 VAL A 18 3.361 11.713 -2.841 1.00 73.11 H new ATOM 0 HG13 VAL A 18 4.287 10.273 -2.355 1.00 73.11 H new ATOM 0 HG21 VAL A 18 5.445 9.720 -5.167 1.00 14.31 H new ATOM 0 HG22 VAL A 18 4.748 8.448 -4.136 1.00 14.31 H new ATOM 0 HG23 VAL A 18 4.124 8.699 -5.783 1.00 14.31 H new ATOM 278 N THR A 19 0.698 11.373 -4.382 1.00 1.11 N ATOM 279 CA THR A 19 -0.336 12.367 -4.056 1.00 54.51 C ATOM 280 C THR A 19 -1.598 11.693 -3.494 1.00 44.04 C ATOM 281 O THR A 19 -2.202 12.176 -2.536 1.00 12.24 O ATOM 282 CB THR A 19 -0.739 13.207 -5.297 1.00 31.22 C ATOM 283 OG1 THR A 19 0.408 13.869 -5.854 1.00 41.20 O ATOM 284 CG2 THR A 19 -1.795 14.247 -4.936 1.00 0.53 C ATOM 0 H THR A 19 1.016 11.401 -5.351 1.00 1.11 H new ATOM 0 HA THR A 19 0.098 13.025 -3.303 1.00 54.51 H new ATOM 0 HB THR A 19 -1.156 12.522 -6.036 1.00 31.22 H new ATOM 0 HG1 THR A 19 0.136 14.392 -6.636 1.00 41.20 H new ATOM 0 HG21 THR A 19 -2.059 14.821 -5.824 1.00 0.53 H new ATOM 0 HG22 THR A 19 -2.683 13.745 -4.551 1.00 0.53 H new ATOM 0 HG23 THR A 19 -1.399 14.919 -4.174 1.00 0.53 H new ATOM 292 N TRP A 20 -1.980 10.568 -4.095 1.00 42.52 N ATOM 293 CA TRP A 20 -3.164 9.810 -3.671 1.00 74.35 C ATOM 294 C TRP A 20 -3.051 9.360 -2.200 1.00 34.32 C ATOM 295 O TRP A 20 -3.986 9.527 -1.414 1.00 54.23 O ATOM 296 CB TRP A 20 -3.354 8.599 -4.595 1.00 73.24 C ATOM 297 CG TRP A 20 -4.618 7.827 -4.345 1.00 31.13 C ATOM 298 CD1 TRP A 20 -5.887 8.330 -4.281 1.00 42.42 C ATOM 299 CD2 TRP A 20 -4.736 6.411 -4.158 1.00 60.43 C ATOM 300 NE1 TRP A 20 -6.783 7.315 -4.057 1.00 3.54 N ATOM 301 CE2 TRP A 20 -6.102 6.128 -3.973 1.00 31.00 C ATOM 302 CE3 TRP A 20 -3.817 5.357 -4.122 1.00 64.21 C ATOM 303 CZ2 TRP A 20 -6.571 4.834 -3.761 1.00 70.20 C ATOM 304 CZ3 TRP A 20 -4.284 4.075 -3.910 1.00 23.22 C ATOM 305 CH2 TRP A 20 -5.650 3.822 -3.732 1.00 54.35 C ATOM 0 H TRP A 20 -1.484 10.155 -4.885 1.00 42.52 H new ATOM 0 HA TRP A 20 -4.035 10.461 -3.744 1.00 74.35 H new ATOM 0 HB2 TRP A 20 -3.349 8.941 -5.630 1.00 73.24 H new ATOM 0 HB3 TRP A 20 -2.503 7.929 -4.477 1.00 73.24 H new ATOM 0 HD1 TRP A 20 -6.146 9.373 -4.391 1.00 42.42 H new ATOM 0 HE1 TRP A 20 -7.793 7.426 -3.967 1.00 3.54 H new ATOM 0 HE3 TRP A 20 -2.762 5.543 -4.258 1.00 64.21 H new ATOM 0 HZ2 TRP A 20 -7.624 4.636 -3.624 1.00 70.20 H new ATOM 0 HZ3 TRP A 20 -3.584 3.253 -3.881 1.00 23.22 H new ATOM 0 HH2 TRP A 20 -5.983 2.808 -3.569 1.00 54.35 H new ATOM 316 N LEU A 21 -1.896 8.811 -1.827 1.00 24.14 N ATOM 317 CA LEU A 21 -1.653 8.381 -0.444 1.00 64.53 C ATOM 318 C LEU A 21 -1.633 9.582 0.523 1.00 50.43 C ATOM 319 O LEU A 21 -2.109 9.494 1.662 1.00 52.54 O ATOM 320 CB LEU A 21 -0.323 7.615 -0.353 1.00 65.02 C ATOM 321 CG LEU A 21 -0.242 6.323 -1.184 1.00 33.53 C ATOM 322 CD1 LEU A 21 1.131 5.673 -1.039 1.00 60.01 C ATOM 323 CD2 LEU A 21 -1.344 5.347 -0.782 1.00 5.33 C ATOM 0 H LEU A 21 -1.112 8.652 -2.460 1.00 24.14 H new ATOM 0 HA LEU A 21 -2.471 7.723 -0.151 1.00 64.53 H new ATOM 0 HB2 LEU A 21 0.481 8.280 -0.669 1.00 65.02 H new ATOM 0 HB3 LEU A 21 -0.139 7.366 0.692 1.00 65.02 H new ATOM 0 HG LEU A 21 -0.388 6.586 -2.232 1.00 33.53 H new ATOM 0 HD11 LEU A 21 1.167 4.761 -1.635 1.00 60.01 H new ATOM 0 HD12 LEU A 21 1.899 6.364 -1.387 1.00 60.01 H new ATOM 0 HD13 LEU A 21 1.309 5.429 0.008 1.00 60.01 H new ATOM 0 HD21 LEU A 21 -1.265 4.442 -1.384 1.00 5.33 H new ATOM 0 HD22 LEU A 21 -1.238 5.092 0.272 1.00 5.33 H new ATOM 0 HD23 LEU A 21 -2.317 5.809 -0.947 1.00 5.33 H new ATOM 335 N ILE A 22 -1.081 10.701 0.064 1.00 23.33 N ATOM 336 CA ILE A 22 -0.991 11.913 0.885 1.00 44.45 C ATOM 337 C ILE A 22 -2.376 12.539 1.143 1.00 54.41 C ATOM 338 O ILE A 22 -2.696 12.906 2.277 1.00 11.23 O ATOM 339 CB ILE A 22 -0.056 12.965 0.232 1.00 53.31 C ATOM 340 CG1 ILE A 22 1.365 12.393 0.083 1.00 22.15 C ATOM 341 CG2 ILE A 22 -0.038 14.261 1.044 1.00 24.53 C ATOM 342 CD1 ILE A 22 2.321 13.310 -0.652 1.00 32.11 C ATOM 0 H ILE A 22 -0.688 10.798 -0.872 1.00 23.33 H new ATOM 0 HA ILE A 22 -0.570 11.609 1.843 1.00 44.45 H new ATOM 0 HB ILE A 22 -0.442 13.200 -0.760 1.00 53.31 H new ATOM 0 HG12 ILE A 22 1.768 12.183 1.074 1.00 22.15 H new ATOM 0 HG13 ILE A 22 1.310 11.442 -0.446 1.00 22.15 H new ATOM 0 HG21 ILE A 22 0.625 14.981 0.565 1.00 24.53 H new ATOM 0 HG22 ILE A 22 -1.046 14.673 1.094 1.00 24.53 H new ATOM 0 HG23 ILE A 22 0.320 14.054 2.052 1.00 24.53 H new ATOM 0 HD11 ILE A 22 3.301 12.837 -0.717 1.00 32.11 H new ATOM 0 HD12 ILE A 22 1.943 13.500 -1.656 1.00 32.11 H new ATOM 0 HD13 ILE A 22 2.408 14.253 -0.112 1.00 32.11 H new ATOM 354 N THR A 23 -3.201 12.642 0.097 1.00 33.22 N ATOM 355 CA THR A 23 -4.535 13.260 0.225 1.00 73.20 C ATOM 356 C THR A 23 -5.483 12.406 1.084 1.00 32.52 C ATOM 357 O THR A 23 -6.336 12.937 1.793 1.00 10.34 O ATOM 358 CB THR A 23 -5.191 13.529 -1.155 1.00 41.23 C ATOM 359 OG1 THR A 23 -6.421 14.254 -0.983 1.00 53.13 O ATOM 360 CG2 THR A 23 -5.469 12.235 -1.914 1.00 64.23 C ATOM 0 H THR A 23 -2.977 12.311 -0.841 1.00 33.22 H new ATOM 0 HA THR A 23 -4.374 14.216 0.724 1.00 73.20 H new ATOM 0 HB THR A 23 -4.488 14.121 -1.740 1.00 41.23 H new ATOM 0 HG1 THR A 23 -6.828 14.421 -1.859 1.00 53.13 H new ATOM 0 HG21 THR A 23 -5.928 12.468 -2.875 1.00 64.23 H new ATOM 0 HG22 THR A 23 -4.533 11.702 -2.079 1.00 64.23 H new ATOM 0 HG23 THR A 23 -6.145 11.609 -1.331 1.00 64.23 H new ATOM 368 N LEU A 24 -5.320 11.080 1.031 1.00 40.12 N ATOM 369 CA LEU A 24 -6.110 10.167 1.872 1.00 23.21 C ATOM 370 C LEU A 24 -5.606 10.160 3.329 1.00 2.13 C ATOM 371 O LEU A 24 -6.136 9.439 4.177 1.00 34.03 O ATOM 372 CB LEU A 24 -6.084 8.743 1.288 1.00 60.23 C ATOM 373 CG LEU A 24 -6.784 8.579 -0.076 1.00 45.32 C ATOM 374 CD1 LEU A 24 -6.640 7.151 -0.592 1.00 50.43 C ATOM 375 CD2 LEU A 24 -8.259 8.968 0.025 1.00 24.40 C ATOM 0 H LEU A 24 -4.651 10.614 0.418 1.00 40.12 H new ATOM 0 HA LEU A 24 -7.138 10.528 1.879 1.00 23.21 H new ATOM 0 HB2 LEU A 24 -5.045 8.429 1.185 1.00 60.23 H new ATOM 0 HB3 LEU A 24 -6.553 8.066 2.002 1.00 60.23 H new ATOM 0 HG LEU A 24 -6.300 9.248 -0.788 1.00 45.32 H new ATOM 0 HD11 LEU A 24 -7.142 7.060 -1.555 1.00 50.43 H new ATOM 0 HD12 LEU A 24 -5.583 6.911 -0.709 1.00 50.43 H new ATOM 0 HD13 LEU A 24 -7.092 6.460 0.119 1.00 50.43 H new ATOM 0 HD21 LEU A 24 -8.735 8.845 -0.948 1.00 24.40 H new ATOM 0 HD22 LEU A 24 -8.755 8.328 0.755 1.00 24.40 H new ATOM 0 HD23 LEU A 24 -8.340 10.008 0.340 1.00 24.40 H new ATOM 387 N GLY A 25 -4.573 10.958 3.605 1.00 24.34 N ATOM 388 CA GLY A 25 -4.065 11.108 4.966 1.00 44.51 C ATOM 389 C GLY A 25 -3.359 9.867 5.505 1.00 14.24 C ATOM 390 O GLY A 25 -3.111 9.763 6.709 1.00 30.22 O ATOM 0 H GLY A 25 -4.074 11.508 2.905 1.00 24.34 H new ATOM 0 HA2 GLY A 25 -3.372 11.949 4.994 1.00 44.51 H new ATOM 0 HA3 GLY A 25 -4.895 11.357 5.627 1.00 44.51 H new ATOM 394 N VAL A 26 -3.020 8.929 4.623 1.00 3.05 N ATOM 395 CA VAL A 26 -2.363 7.683 5.035 1.00 23.53 C ATOM 396 C VAL A 26 -0.833 7.812 4.987 1.00 50.13 C ATOM 397 O VAL A 26 -0.111 7.062 5.647 1.00 51.34 O ATOM 398 CB VAL A 26 -2.819 6.491 4.155 1.00 21.35 C ATOM 399 CG1 VAL A 26 -4.343 6.412 4.124 1.00 35.55 C ATOM 400 CG2 VAL A 26 -2.253 6.590 2.739 1.00 2.30 C ATOM 0 H VAL A 26 -3.187 9.004 3.620 1.00 3.05 H new ATOM 0 HA VAL A 26 -2.661 7.491 6.066 1.00 23.53 H new ATOM 0 HB VAL A 26 -2.428 5.576 4.599 1.00 21.35 H new ATOM 0 HG11 VAL A 26 -4.651 5.571 3.503 1.00 35.55 H new ATOM 0 HG12 VAL A 26 -4.721 6.273 5.137 1.00 35.55 H new ATOM 0 HG13 VAL A 26 -4.747 7.336 3.710 1.00 35.55 H new ATOM 0 HG21 VAL A 26 -2.593 5.738 2.151 1.00 2.30 H new ATOM 0 HG22 VAL A 26 -2.597 7.513 2.273 1.00 2.30 H new ATOM 0 HG23 VAL A 26 -1.164 6.590 2.782 1.00 2.30 H new ATOM 410 N LEU A 27 -0.354 8.774 4.200 1.00 21.44 N ATOM 411 CA LEU A 27 1.082 9.041 4.065 1.00 73.02 C ATOM 412 C LEU A 27 1.373 10.545 4.203 1.00 60.21 C ATOM 413 O LEU A 27 0.547 11.385 3.833 1.00 72.45 O ATOM 414 CB LEU A 27 1.589 8.527 2.706 1.00 62.15 C ATOM 415 CG LEU A 27 3.095 8.713 2.443 1.00 22.42 C ATOM 416 CD1 LEU A 27 3.929 7.966 3.482 1.00 53.41 C ATOM 417 CD2 LEU A 27 3.455 8.259 1.028 1.00 34.04 C ATOM 0 H LEU A 27 -0.944 9.389 3.640 1.00 21.44 H new ATOM 0 HA LEU A 27 1.606 8.515 4.863 1.00 73.02 H new ATOM 0 HB2 LEU A 27 1.353 7.466 2.629 1.00 62.15 H new ATOM 0 HB3 LEU A 27 1.035 9.035 1.916 1.00 62.15 H new ATOM 0 HG LEU A 27 3.325 9.775 2.530 1.00 22.42 H new ATOM 0 HD11 LEU A 27 4.988 8.114 3.273 1.00 53.41 H new ATOM 0 HD12 LEU A 27 3.699 8.348 4.477 1.00 53.41 H new ATOM 0 HD13 LEU A 27 3.696 6.902 3.439 1.00 53.41 H new ATOM 0 HD21 LEU A 27 4.523 8.398 0.862 1.00 34.04 H new ATOM 0 HD22 LEU A 27 3.204 7.205 0.909 1.00 34.04 H new ATOM 0 HD23 LEU A 27 2.895 8.849 0.303 1.00 34.04 H new ATOM 429 N GLU A 28 2.543 10.879 4.744 1.00 74.14 N ATOM 430 CA GLU A 28 2.948 12.278 4.920 1.00 63.12 C ATOM 431 C GLU A 28 3.580 12.851 3.639 1.00 10.14 C ATOM 432 O GLU A 28 4.044 12.110 2.770 1.00 72.40 O ATOM 433 CB GLU A 28 3.930 12.405 6.097 1.00 64.41 C ATOM 434 CG GLU A 28 5.225 11.613 5.922 1.00 74.22 C ATOM 435 CD GLU A 28 6.155 11.731 7.121 1.00 2.23 C ATOM 436 OE1 GLU A 28 6.931 12.710 7.188 1.00 43.31 O ATOM 437 OE2 GLU A 28 6.119 10.844 8.001 1.00 21.31 O ATOM 0 H GLU A 28 3.231 10.200 5.070 1.00 74.14 H new ATOM 0 HA GLU A 28 2.050 12.857 5.137 1.00 63.12 H new ATOM 0 HB2 GLU A 28 4.177 13.457 6.237 1.00 64.41 H new ATOM 0 HB3 GLU A 28 3.433 12.070 7.008 1.00 64.41 H new ATOM 0 HG2 GLU A 28 4.984 10.563 5.757 1.00 74.22 H new ATOM 0 HG3 GLU A 28 5.743 11.965 5.030 1.00 74.22 H new ATOM 444 N SER A 29 3.588 14.177 3.531 1.00 75.01 N ATOM 445 CA SER A 29 4.163 14.866 2.366 1.00 74.34 C ATOM 446 C SER A 29 5.704 14.780 2.357 1.00 15.14 C ATOM 447 O SER A 29 6.336 14.769 3.416 1.00 24.43 O ATOM 448 CB SER A 29 3.710 16.334 2.364 1.00 74.41 C ATOM 449 OG SER A 29 4.319 17.075 1.317 1.00 32.22 O ATOM 0 H SER A 29 3.202 14.804 4.237 1.00 75.01 H new ATOM 0 HA SER A 29 3.804 14.370 1.464 1.00 74.34 H new ATOM 0 HB2 SER A 29 2.626 16.379 2.258 1.00 74.41 H new ATOM 0 HB3 SER A 29 3.956 16.791 3.323 1.00 74.41 H new ATOM 0 HG SER A 29 4.005 18.003 1.347 1.00 32.22 H new ATOM 455 N PRO A 30 6.333 14.719 1.159 1.00 1.32 N ATOM 456 CA PRO A 30 7.802 14.601 1.026 1.00 4.11 C ATOM 457 C PRO A 30 8.572 15.792 1.632 1.00 12.30 C ATOM 458 O PRO A 30 8.046 16.901 1.748 1.00 10.32 O ATOM 459 CB PRO A 30 8.025 14.533 -0.496 1.00 64.01 C ATOM 460 CG PRO A 30 6.792 15.133 -1.090 1.00 32.03 C ATOM 461 CD PRO A 30 5.671 14.757 -0.161 1.00 44.01 C ATOM 0 HA PRO A 30 8.176 13.733 1.569 1.00 4.11 H new ATOM 0 HB2 PRO A 30 8.916 15.088 -0.790 1.00 64.01 H new ATOM 0 HB3 PRO A 30 8.165 13.505 -0.830 1.00 64.01 H new ATOM 0 HG2 PRO A 30 6.885 16.216 -1.174 1.00 32.03 H new ATOM 0 HG3 PRO A 30 6.614 14.749 -2.094 1.00 32.03 H new ATOM 0 HD2 PRO A 30 4.863 15.488 -0.187 1.00 44.01 H new ATOM 0 HD3 PRO A 30 5.236 13.792 -0.423 1.00 44.01 H new ATOM 469 N LYS A 31 9.832 15.554 1.996 1.00 33.44 N ATOM 470 CA LYS A 31 10.666 16.571 2.656 1.00 23.23 C ATOM 471 C LYS A 31 11.358 17.474 1.620 1.00 41.44 C ATOM 472 O LYS A 31 11.835 18.565 1.942 1.00 43.31 O ATOM 473 CB LYS A 31 11.729 15.898 3.551 1.00 74.43 C ATOM 474 CG LYS A 31 11.163 15.033 4.684 1.00 73.15 C ATOM 475 CD LYS A 31 10.464 13.775 4.164 1.00 63.14 C ATOM 476 CE LYS A 31 9.941 12.897 5.294 1.00 71.40 C ATOM 477 NZ LYS A 31 11.041 12.333 6.122 1.00 13.02 N ATOM 0 H LYS A 31 10.304 14.662 1.846 1.00 33.44 H new ATOM 0 HA LYS A 31 10.014 17.187 3.275 1.00 23.23 H new ATOM 0 HB2 LYS A 31 12.370 15.278 2.925 1.00 74.43 H new ATOM 0 HB3 LYS A 31 12.361 16.673 3.985 1.00 74.43 H new ATOM 0 HG2 LYS A 31 11.971 14.745 5.356 1.00 73.15 H new ATOM 0 HG3 LYS A 31 10.457 15.622 5.269 1.00 73.15 H new ATOM 0 HD2 LYS A 31 9.635 14.063 3.517 1.00 63.14 H new ATOM 0 HD3 LYS A 31 11.161 13.201 3.553 1.00 63.14 H new ATOM 0 HE2 LYS A 31 9.275 13.482 5.928 1.00 71.40 H new ATOM 0 HE3 LYS A 31 9.349 12.083 4.875 1.00 71.40 H new ATOM 0 HZ1 LYS A 31 10.654 11.626 6.779 1.00 13.02 H new ATOM 0 HZ2 LYS A 31 11.745 11.882 5.503 1.00 13.02 H new ATOM 0 HZ3 LYS A 31 11.495 13.096 6.663 1.00 13.02 H new ATOM 491 N LYS A 32 11.417 16.993 0.381 1.00 54.13 N ATOM 492 CA LYS A 32 12.032 17.730 -0.730 1.00 72.31 C ATOM 493 C LYS A 32 11.669 17.070 -2.072 1.00 22.51 C ATOM 494 O LYS A 32 10.800 16.198 -2.123 1.00 61.30 O ATOM 495 CB LYS A 32 13.562 17.781 -0.552 1.00 10.21 C ATOM 496 CG LYS A 32 14.224 16.406 -0.512 1.00 42.14 C ATOM 497 CD LYS A 32 15.731 16.481 -0.247 1.00 20.44 C ATOM 498 CE LYS A 32 16.062 16.917 1.185 1.00 33.55 C ATOM 499 NZ LYS A 32 15.790 18.362 1.429 1.00 21.41 N ATOM 0 H LYS A 32 11.042 16.083 0.114 1.00 54.13 H new ATOM 0 HA LYS A 32 11.648 18.750 -0.730 1.00 72.31 H new ATOM 0 HB2 LYS A 32 13.994 18.358 -1.369 1.00 10.21 H new ATOM 0 HB3 LYS A 32 13.793 18.312 0.371 1.00 10.21 H new ATOM 0 HG2 LYS A 32 13.753 15.803 0.264 1.00 42.14 H new ATOM 0 HG3 LYS A 32 14.051 15.897 -1.460 1.00 42.14 H new ATOM 0 HD2 LYS A 32 16.178 15.505 -0.437 1.00 20.44 H new ATOM 0 HD3 LYS A 32 16.184 17.181 -0.949 1.00 20.44 H new ATOM 0 HE2 LYS A 32 15.479 16.319 1.885 1.00 33.55 H new ATOM 0 HE3 LYS A 32 17.113 16.711 1.388 1.00 33.55 H new ATOM 0 HZ1 LYS A 32 16.574 18.776 1.974 1.00 21.41 H new ATOM 0 HZ2 LYS A 32 15.702 18.857 0.519 1.00 21.41 H new ATOM 0 HZ3 LYS A 32 14.905 18.463 1.965 1.00 21.41 H new ATOM 513 N THR A 33 12.331 17.488 -3.152 1.00 1.23 N ATOM 514 CA THR A 33 12.091 16.904 -4.480 1.00 3.30 C ATOM 515 C THR A 33 12.372 15.392 -4.485 1.00 23.42 C ATOM 516 O THR A 33 13.421 14.937 -4.018 1.00 25.13 O ATOM 517 CB THR A 33 12.955 17.587 -5.571 1.00 71.12 C ATOM 518 OG1 THR A 33 12.682 18.997 -5.603 1.00 4.02 O ATOM 519 CG2 THR A 33 12.677 16.989 -6.950 1.00 21.21 C ATOM 0 H THR A 33 13.035 18.225 -3.138 1.00 1.23 H new ATOM 0 HA THR A 33 11.039 17.073 -4.708 1.00 3.30 H new ATOM 0 HB THR A 33 14.003 17.418 -5.322 1.00 71.12 H new ATOM 0 HG1 THR A 33 13.233 19.421 -6.294 1.00 4.02 H new ATOM 0 HG21 THR A 33 13.297 17.488 -7.695 1.00 21.21 H new ATOM 0 HG22 THR A 33 12.910 15.924 -6.938 1.00 21.21 H new ATOM 0 HG23 THR A 33 11.626 17.128 -7.202 1.00 21.21 H new ATOM 527 N ILE A 34 11.421 14.615 -5.001 1.00 24.33 N ATOM 528 CA ILE A 34 11.561 13.157 -5.071 1.00 42.20 C ATOM 529 C ILE A 34 12.284 12.720 -6.355 1.00 5.42 C ATOM 530 O ILE A 34 11.842 13.017 -7.468 1.00 10.13 O ATOM 531 CB ILE A 34 10.179 12.456 -4.999 1.00 13.20 C ATOM 532 CG1 ILE A 34 9.430 12.864 -3.719 1.00 64.51 C ATOM 533 CG2 ILE A 34 10.343 10.937 -5.065 1.00 25.01 C ATOM 534 CD1 ILE A 34 8.052 12.241 -3.587 1.00 33.14 C ATOM 0 H ILE A 34 10.542 14.970 -5.378 1.00 24.33 H new ATOM 0 HA ILE A 34 12.160 12.858 -4.211 1.00 42.20 H new ATOM 0 HB ILE A 34 9.588 12.775 -5.857 1.00 13.20 H new ATOM 0 HG12 ILE A 34 10.030 12.582 -2.854 1.00 64.51 H new ATOM 0 HG13 ILE A 34 9.331 13.949 -3.698 1.00 64.51 H new ATOM 0 HG21 ILE A 34 9.363 10.463 -5.013 1.00 25.01 H new ATOM 0 HG22 ILE A 34 10.829 10.664 -6.002 1.00 25.01 H new ATOM 0 HG23 ILE A 34 10.954 10.600 -4.227 1.00 25.01 H new ATOM 0 HD11 ILE A 34 7.588 12.577 -2.660 1.00 33.14 H new ATOM 0 HD12 ILE A 34 7.434 12.543 -4.432 1.00 33.14 H new ATOM 0 HD13 ILE A 34 8.143 11.155 -3.574 1.00 33.14 H new ATOM 546 N SER A 35 13.399 12.014 -6.192 1.00 12.02 N ATOM 547 CA SER A 35 14.170 11.492 -7.331 1.00 14.25 C ATOM 548 C SER A 35 13.481 10.269 -7.952 1.00 1.32 C ATOM 549 O SER A 35 13.112 10.280 -9.129 1.00 34.32 O ATOM 550 CB SER A 35 15.595 11.122 -6.889 1.00 23.21 C ATOM 551 OG SER A 35 15.574 10.225 -5.786 1.00 44.23 O ATOM 0 H SER A 35 13.796 11.786 -5.280 1.00 12.02 H new ATOM 0 HA SER A 35 14.223 12.276 -8.086 1.00 14.25 H new ATOM 0 HB2 SER A 35 16.130 10.666 -7.722 1.00 23.21 H new ATOM 0 HB3 SER A 35 16.140 12.026 -6.616 1.00 23.21 H new ATOM 0 HG SER A 35 16.493 10.005 -5.526 1.00 44.23 H new ATOM 557 N ASP A 36 13.311 9.215 -7.157 1.00 4.42 N ATOM 558 CA ASP A 36 12.614 8.000 -7.602 1.00 4.14 C ATOM 559 C ASP A 36 11.309 7.777 -6.803 1.00 15.20 C ATOM 560 O ASP A 36 11.337 7.307 -5.662 1.00 1.22 O ATOM 561 CB ASP A 36 13.548 6.781 -7.487 1.00 11.43 C ATOM 562 CG ASP A 36 14.176 6.638 -6.107 1.00 43.02 C ATOM 563 OD1 ASP A 36 14.987 7.509 -5.729 1.00 24.10 O ATOM 564 OD2 ASP A 36 13.857 5.669 -5.391 1.00 43.15 O ATOM 0 H ASP A 36 13.647 9.174 -6.195 1.00 4.42 H new ATOM 0 HA ASP A 36 12.337 8.128 -8.648 1.00 4.14 H new ATOM 0 HB2 ASP A 36 12.986 5.877 -7.719 1.00 11.43 H new ATOM 0 HB3 ASP A 36 14.339 6.865 -8.233 1.00 11.43 H new ATOM 569 N PRO A 37 10.142 8.138 -7.384 1.00 20.43 N ATOM 570 CA PRO A 37 8.833 7.946 -6.728 1.00 63.31 C ATOM 571 C PRO A 37 8.504 6.462 -6.483 1.00 1.31 C ATOM 572 O PRO A 37 7.916 6.109 -5.460 1.00 74.32 O ATOM 573 CB PRO A 37 7.837 8.574 -7.721 1.00 13.14 C ATOM 574 CG PRO A 37 8.551 8.574 -9.032 1.00 33.01 C ATOM 575 CD PRO A 37 10.004 8.777 -8.706 1.00 12.21 C ATOM 0 HA PRO A 37 8.805 8.400 -5.737 1.00 63.31 H new ATOM 0 HB2 PRO A 37 6.914 7.996 -7.774 1.00 13.14 H new ATOM 0 HB3 PRO A 37 7.563 9.585 -7.420 1.00 13.14 H new ATOM 0 HG2 PRO A 37 8.397 7.634 -9.562 1.00 33.01 H new ATOM 0 HG3 PRO A 37 8.181 9.369 -9.679 1.00 33.01 H new ATOM 0 HD2 PRO A 37 10.653 8.312 -9.448 1.00 12.21 H new ATOM 0 HD3 PRO A 37 10.266 9.835 -8.672 1.00 12.21 H new ATOM 583 N GLU A 38 8.888 5.601 -7.425 1.00 40.24 N ATOM 584 CA GLU A 38 8.674 4.154 -7.291 1.00 71.00 C ATOM 585 C GLU A 38 9.435 3.583 -6.081 1.00 60.31 C ATOM 586 O GLU A 38 8.860 2.875 -5.251 1.00 42.42 O ATOM 587 CB GLU A 38 9.102 3.441 -8.582 1.00 53.51 C ATOM 588 CG GLU A 38 8.207 3.756 -9.778 1.00 12.44 C ATOM 589 CD GLU A 38 8.734 3.180 -11.082 1.00 12.14 C ATOM 590 OE1 GLU A 38 8.723 1.939 -11.239 1.00 4.42 O ATOM 591 OE2 GLU A 38 9.158 3.969 -11.958 1.00 71.01 O ATOM 0 H GLU A 38 9.350 5.878 -8.291 1.00 40.24 H new ATOM 0 HA GLU A 38 7.611 3.981 -7.122 1.00 71.00 H new ATOM 0 HB2 GLU A 38 10.127 3.724 -8.821 1.00 53.51 H new ATOM 0 HB3 GLU A 38 9.100 2.365 -8.411 1.00 53.51 H new ATOM 0 HG2 GLU A 38 7.208 3.362 -9.591 1.00 12.44 H new ATOM 0 HG3 GLU A 38 8.110 4.837 -9.878 1.00 12.44 H new ATOM 598 N GLY A 39 10.726 3.902 -5.980 1.00 31.11 N ATOM 599 CA GLY A 39 11.519 3.476 -4.829 1.00 71.20 C ATOM 600 C GLY A 39 11.010 4.072 -3.517 1.00 55.13 C ATOM 601 O GLY A 39 10.956 3.387 -2.490 1.00 53.54 O ATOM 0 H GLY A 39 11.239 4.447 -6.673 1.00 31.11 H new ATOM 0 HA2 GLY A 39 11.501 2.388 -4.762 1.00 71.20 H new ATOM 0 HA3 GLY A 39 12.558 3.769 -4.979 1.00 71.20 H new ATOM 605 N PHE A 40 10.631 5.353 -3.558 1.00 54.22 N ATOM 606 CA PHE A 40 10.042 6.036 -2.399 1.00 61.14 C ATOM 607 C PHE A 40 8.818 5.270 -1.865 1.00 1.13 C ATOM 608 O PHE A 40 8.715 4.995 -0.667 1.00 41.53 O ATOM 609 CB PHE A 40 9.649 7.475 -2.785 1.00 33.03 C ATOM 610 CG PHE A 40 9.026 8.275 -1.662 1.00 31.21 C ATOM 611 CD1 PHE A 40 9.820 8.877 -0.694 1.00 41.20 C ATOM 612 CD2 PHE A 40 7.647 8.430 -1.579 1.00 43.24 C ATOM 613 CE1 PHE A 40 9.253 9.614 0.330 1.00 12.01 C ATOM 614 CE2 PHE A 40 7.076 9.165 -0.556 1.00 73.43 C ATOM 615 CZ PHE A 40 7.880 9.758 0.399 1.00 0.31 C ATOM 0 H PHE A 40 10.722 5.942 -4.386 1.00 54.22 H new ATOM 0 HA PHE A 40 10.787 6.069 -1.604 1.00 61.14 H new ATOM 0 HB2 PHE A 40 10.537 7.999 -3.139 1.00 33.03 H new ATOM 0 HB3 PHE A 40 8.948 7.436 -3.619 1.00 33.03 H new ATOM 0 HD1 PHE A 40 10.893 8.768 -0.742 1.00 41.20 H new ATOM 0 HD2 PHE A 40 7.013 7.970 -2.323 1.00 43.24 H new ATOM 0 HE1 PHE A 40 9.883 10.077 1.075 1.00 12.01 H new ATOM 0 HE2 PHE A 40 6.003 9.275 -0.503 1.00 73.43 H new ATOM 0 HZ PHE A 40 7.436 10.333 1.198 1.00 0.31 H new ATOM 625 N LEU A 41 7.898 4.918 -2.764 1.00 62.45 N ATOM 626 CA LEU A 41 6.704 4.149 -2.390 1.00 11.11 C ATOM 627 C LEU A 41 7.072 2.744 -1.889 1.00 64.44 C ATOM 628 O LEU A 41 6.468 2.239 -0.947 1.00 73.52 O ATOM 629 CB LEU A 41 5.735 4.045 -3.575 1.00 44.15 C ATOM 630 CG LEU A 41 5.118 5.372 -4.046 1.00 44.11 C ATOM 631 CD1 LEU A 41 4.183 5.139 -5.231 1.00 41.23 C ATOM 632 CD2 LEU A 41 4.379 6.064 -2.898 1.00 61.45 C ATOM 0 H LEU A 41 7.954 5.151 -3.755 1.00 62.45 H new ATOM 0 HA LEU A 41 6.215 4.682 -1.575 1.00 11.11 H new ATOM 0 HB2 LEU A 41 6.263 3.592 -4.414 1.00 44.15 H new ATOM 0 HB3 LEU A 41 4.927 3.366 -3.302 1.00 44.15 H new ATOM 0 HG LEU A 41 5.925 6.028 -4.372 1.00 44.11 H new ATOM 0 HD11 LEU A 41 3.756 6.090 -5.550 1.00 41.23 H new ATOM 0 HD12 LEU A 41 4.743 4.698 -6.055 1.00 41.23 H new ATOM 0 HD13 LEU A 41 3.381 4.463 -4.934 1.00 41.23 H new ATOM 0 HD21 LEU A 41 3.950 7.001 -3.254 1.00 61.45 H new ATOM 0 HD22 LEU A 41 3.582 5.415 -2.535 1.00 61.45 H new ATOM 0 HD23 LEU A 41 5.078 6.269 -2.087 1.00 61.45 H new ATOM 644 N GLN A 42 8.068 2.124 -2.523 1.00 12.42 N ATOM 645 CA GLN A 42 8.545 0.793 -2.117 1.00 14.35 C ATOM 646 C GLN A 42 9.010 0.800 -0.650 1.00 53.31 C ATOM 647 O GLN A 42 8.656 -0.085 0.129 1.00 30.14 O ATOM 648 CB GLN A 42 9.680 0.339 -3.058 1.00 51.24 C ATOM 649 CG GLN A 42 10.154 -1.110 -2.871 1.00 25.34 C ATOM 650 CD GLN A 42 11.214 -1.281 -1.789 1.00 5.24 C ATOM 651 OE1 GLN A 42 12.406 -1.143 -2.050 1.00 43.31 O ATOM 652 NE2 GLN A 42 10.802 -1.608 -0.581 1.00 4.13 N ATOM 0 H GLN A 42 8.564 2.520 -3.322 1.00 12.42 H new ATOM 0 HA GLN A 42 7.721 0.083 -2.195 1.00 14.35 H new ATOM 0 HB2 GLN A 42 9.346 0.464 -4.088 1.00 51.24 H new ATOM 0 HB3 GLN A 42 10.533 1.003 -2.917 1.00 51.24 H new ATOM 0 HG2 GLN A 42 9.295 -1.734 -2.625 1.00 25.34 H new ATOM 0 HG3 GLN A 42 10.553 -1.476 -3.817 1.00 25.34 H new ATOM 0 HE21 GLN A 42 9.805 -1.716 -0.394 1.00 4.13 H new ATOM 0 HE22 GLN A 42 11.480 -1.754 0.167 1.00 4.13 H new ATOM 661 N ALA A 43 9.797 1.810 -0.282 1.00 64.44 N ATOM 662 CA ALA A 43 10.284 1.955 1.095 1.00 73.25 C ATOM 663 C ALA A 43 9.161 2.383 2.059 1.00 0.21 C ATOM 664 O ALA A 43 9.152 2.003 3.231 1.00 71.23 O ATOM 665 CB ALA A 43 11.432 2.959 1.139 1.00 74.02 C ATOM 0 H ALA A 43 10.113 2.543 -0.917 1.00 64.44 H new ATOM 0 HA ALA A 43 10.643 0.980 1.425 1.00 73.25 H new ATOM 0 HB1 ALA A 43 11.787 3.061 2.164 1.00 74.02 H new ATOM 0 HB2 ALA A 43 12.247 2.608 0.506 1.00 74.02 H new ATOM 0 HB3 ALA A 43 11.083 3.927 0.778 1.00 74.02 H new ATOM 671 N SER A 44 8.218 3.176 1.554 1.00 64.14 N ATOM 672 CA SER A 44 7.089 3.674 2.363 1.00 44.25 C ATOM 673 C SER A 44 6.083 2.559 2.695 1.00 32.11 C ATOM 674 O SER A 44 5.610 2.445 3.826 1.00 45.21 O ATOM 675 CB SER A 44 6.368 4.810 1.620 1.00 52.21 C ATOM 676 OG SER A 44 5.218 5.246 2.330 1.00 3.13 O ATOM 0 H SER A 44 8.207 3.493 0.585 1.00 64.14 H new ATOM 0 HA SER A 44 7.501 4.046 3.301 1.00 44.25 H new ATOM 0 HB2 SER A 44 7.052 5.648 1.482 1.00 52.21 H new ATOM 0 HB3 SER A 44 6.077 4.469 0.626 1.00 52.21 H new ATOM 0 HG SER A 44 4.695 5.853 1.765 1.00 3.13 H new ATOM 682 N LEU A 45 5.767 1.733 1.703 1.00 32.41 N ATOM 683 CA LEU A 45 4.779 0.658 1.866 1.00 30.15 C ATOM 684 C LEU A 45 5.438 -0.653 2.329 1.00 5.33 C ATOM 685 O LEU A 45 4.759 -1.667 2.501 1.00 55.50 O ATOM 686 CB LEU A 45 4.043 0.432 0.538 1.00 15.23 C ATOM 687 CG LEU A 45 3.385 1.685 -0.067 1.00 4.23 C ATOM 688 CD1 LEU A 45 2.744 1.363 -1.414 1.00 62.34 C ATOM 689 CD2 LEU A 45 2.358 2.277 0.896 1.00 54.43 C ATOM 0 H LEU A 45 6.180 1.783 0.772 1.00 32.41 H new ATOM 0 HA LEU A 45 4.070 0.963 2.636 1.00 30.15 H new ATOM 0 HB2 LEU A 45 4.749 0.026 -0.186 1.00 15.23 H new ATOM 0 HB3 LEU A 45 3.274 -0.325 0.691 1.00 15.23 H new ATOM 0 HG LEU A 45 4.163 2.431 -0.232 1.00 4.23 H new ATOM 0 HD11 LEU A 45 2.285 2.263 -1.823 1.00 62.34 H new ATOM 0 HD12 LEU A 45 3.507 1.000 -2.102 1.00 62.34 H new ATOM 0 HD13 LEU A 45 1.981 0.596 -1.280 1.00 62.34 H new ATOM 0 HD21 LEU A 45 1.906 3.162 0.447 1.00 54.43 H new ATOM 0 HD22 LEU A 45 1.583 1.538 1.101 1.00 54.43 H new ATOM 0 HD23 LEU A 45 2.851 2.554 1.828 1.00 54.43 H new ATOM 701 N LYS A 46 6.753 -0.607 2.544 1.00 23.43 N ATOM 702 CA LYS A 46 7.558 -1.792 2.892 1.00 60.32 C ATOM 703 C LYS A 46 6.911 -2.658 3.989 1.00 24.23 C ATOM 704 O LYS A 46 6.653 -3.845 3.787 1.00 34.10 O ATOM 705 CB LYS A 46 8.953 -1.341 3.349 1.00 13.25 C ATOM 706 CG LYS A 46 9.904 -2.489 3.685 1.00 75.14 C ATOM 707 CD LYS A 46 11.188 -1.985 4.344 1.00 21.33 C ATOM 708 CE LYS A 46 12.144 -3.125 4.686 1.00 25.24 C ATOM 709 NZ LYS A 46 12.714 -3.760 3.467 1.00 12.22 N ATOM 0 H LYS A 46 7.297 0.253 2.483 1.00 23.43 H new ATOM 0 HA LYS A 46 7.625 -2.411 1.997 1.00 60.32 H new ATOM 0 HB2 LYS A 46 9.401 -0.731 2.564 1.00 13.25 H new ATOM 0 HB3 LYS A 46 8.847 -0.703 4.227 1.00 13.25 H new ATOM 0 HG2 LYS A 46 9.405 -3.192 4.352 1.00 75.14 H new ATOM 0 HG3 LYS A 46 10.152 -3.034 2.774 1.00 75.14 H new ATOM 0 HD2 LYS A 46 11.686 -1.283 3.676 1.00 21.33 H new ATOM 0 HD3 LYS A 46 10.938 -1.437 5.253 1.00 21.33 H new ATOM 0 HE2 LYS A 46 12.954 -2.745 5.309 1.00 25.24 H new ATOM 0 HE3 LYS A 46 11.616 -3.877 5.273 1.00 25.24 H new ATOM 0 HZ1 LYS A 46 13.523 -4.357 3.733 1.00 12.22 H new ATOM 0 HZ2 LYS A 46 11.987 -4.346 3.009 1.00 12.22 H new ATOM 0 HZ3 LYS A 46 13.031 -3.022 2.807 1.00 12.22 H new ATOM 723 N ASP A 47 6.653 -2.059 5.150 1.00 14.42 N ATOM 724 CA ASP A 47 6.126 -2.798 6.303 1.00 23.10 C ATOM 725 C ASP A 47 4.596 -2.982 6.232 1.00 12.35 C ATOM 726 O ASP A 47 3.992 -3.560 7.137 1.00 32.05 O ATOM 727 CB ASP A 47 6.512 -2.074 7.595 1.00 45.03 C ATOM 728 CG ASP A 47 7.993 -1.739 7.634 1.00 71.42 C ATOM 729 OD1 ASP A 47 8.786 -2.569 8.126 1.00 73.44 O ATOM 730 OD2 ASP A 47 8.367 -0.645 7.155 1.00 22.50 O ATOM 0 H ASP A 47 6.799 -1.064 5.320 1.00 14.42 H new ATOM 0 HA ASP A 47 6.568 -3.794 6.289 1.00 23.10 H new ATOM 0 HB2 ASP A 47 5.930 -1.157 7.686 1.00 45.03 H new ATOM 0 HB3 ASP A 47 6.258 -2.699 8.451 1.00 45.03 H new ATOM 735 N GLY A 48 3.976 -2.475 5.166 1.00 54.21 N ATOM 736 CA GLY A 48 2.540 -2.659 4.959 1.00 72.51 C ATOM 737 C GLY A 48 1.653 -1.775 5.839 1.00 24.03 C ATOM 738 O GLY A 48 0.426 -1.801 5.713 1.00 35.22 O ATOM 0 H GLY A 48 4.443 -1.937 4.436 1.00 54.21 H new ATOM 0 HA2 GLY A 48 2.308 -2.458 3.913 1.00 72.51 H new ATOM 0 HA3 GLY A 48 2.290 -3.703 5.146 1.00 72.51 H new ATOM 742 N VAL A 49 2.263 -0.978 6.718 1.00 0.14 N ATOM 743 CA VAL A 49 1.508 -0.126 7.650 1.00 12.20 C ATOM 744 C VAL A 49 0.683 0.937 6.905 1.00 71.10 C ATOM 745 O VAL A 49 -0.514 1.108 7.158 1.00 45.24 O ATOM 746 CB VAL A 49 2.448 0.574 8.668 1.00 34.22 C ATOM 747 CG1 VAL A 49 1.642 1.403 9.673 1.00 44.13 C ATOM 748 CG2 VAL A 49 3.327 -0.455 9.384 1.00 31.02 C ATOM 0 H VAL A 49 3.276 -0.902 6.807 1.00 0.14 H new ATOM 0 HA VAL A 49 0.827 -0.784 8.190 1.00 12.20 H new ATOM 0 HB VAL A 49 3.100 1.255 8.121 1.00 34.22 H new ATOM 0 HG11 VAL A 49 2.322 1.884 10.376 1.00 44.13 H new ATOM 0 HG12 VAL A 49 1.071 2.164 9.142 1.00 44.13 H new ATOM 0 HG13 VAL A 49 0.959 0.751 10.217 1.00 44.13 H new ATOM 0 HG21 VAL A 49 3.979 0.054 10.094 1.00 31.02 H new ATOM 0 HG22 VAL A 49 2.695 -1.165 9.917 1.00 31.02 H new ATOM 0 HG23 VAL A 49 3.934 -0.988 8.652 1.00 31.02 H new ATOM 758 N VAL A 50 1.325 1.647 5.979 1.00 44.13 N ATOM 759 CA VAL A 50 0.641 2.667 5.175 1.00 41.10 C ATOM 760 C VAL A 50 -0.477 2.043 4.320 1.00 61.20 C ATOM 761 O VAL A 50 -1.530 2.651 4.112 1.00 14.23 O ATOM 762 CB VAL A 50 1.636 3.429 4.261 1.00 11.11 C ATOM 763 CG1 VAL A 50 0.922 4.522 3.462 1.00 35.22 C ATOM 764 CG2 VAL A 50 2.779 4.021 5.085 1.00 2.42 C ATOM 0 H VAL A 50 2.316 1.538 5.765 1.00 44.13 H new ATOM 0 HA VAL A 50 0.196 3.378 5.872 1.00 41.10 H new ATOM 0 HB VAL A 50 2.057 2.716 3.552 1.00 11.11 H new ATOM 0 HG11 VAL A 50 1.643 5.040 2.830 1.00 35.22 H new ATOM 0 HG12 VAL A 50 0.150 4.071 2.838 1.00 35.22 H new ATOM 0 HG13 VAL A 50 0.464 5.234 4.148 1.00 35.22 H new ATOM 0 HG21 VAL A 50 3.466 4.551 4.426 1.00 2.42 H new ATOM 0 HG22 VAL A 50 2.375 4.715 5.822 1.00 2.42 H new ATOM 0 HG23 VAL A 50 3.312 3.219 5.596 1.00 2.42 H new ATOM 774 N LEU A 51 -0.243 0.817 3.842 1.00 60.51 N ATOM 775 CA LEU A 51 -1.256 0.067 3.086 1.00 74.02 C ATOM 776 C LEU A 51 -2.516 -0.177 3.928 1.00 61.30 C ATOM 777 O LEU A 51 -3.636 -0.028 3.441 1.00 53.33 O ATOM 778 CB LEU A 51 -0.686 -1.279 2.616 1.00 15.14 C ATOM 779 CG LEU A 51 0.424 -1.196 1.558 1.00 71.45 C ATOM 780 CD1 LEU A 51 0.943 -2.589 1.219 1.00 4.15 C ATOM 781 CD2 LEU A 51 -0.076 -0.484 0.299 1.00 43.10 C ATOM 0 H LEU A 51 0.640 0.321 3.964 1.00 60.51 H new ATOM 0 HA LEU A 51 -1.530 0.669 2.219 1.00 74.02 H new ATOM 0 HB2 LEU A 51 -0.297 -1.811 3.484 1.00 15.14 H new ATOM 0 HB3 LEU A 51 -1.503 -1.879 2.214 1.00 15.14 H new ATOM 0 HG LEU A 51 1.247 -0.613 1.971 1.00 71.45 H new ATOM 0 HD11 LEU A 51 1.729 -2.512 0.468 1.00 4.15 H new ATOM 0 HD12 LEU A 51 1.345 -3.056 2.118 1.00 4.15 H new ATOM 0 HD13 LEU A 51 0.127 -3.196 0.829 1.00 4.15 H new ATOM 0 HD21 LEU A 51 0.728 -0.437 -0.436 1.00 43.10 H new ATOM 0 HD22 LEU A 51 -0.919 -1.034 -0.119 1.00 43.10 H new ATOM 0 HD23 LEU A 51 -0.393 0.527 0.554 1.00 43.10 H new ATOM 793 N CYS A 52 -2.325 -0.553 5.191 1.00 43.01 N ATOM 794 CA CYS A 52 -3.450 -0.762 6.112 1.00 34.23 C ATOM 795 C CYS A 52 -4.299 0.508 6.243 1.00 0.02 C ATOM 796 O CYS A 52 -5.519 0.470 6.078 1.00 21.42 O ATOM 797 CB CYS A 52 -2.940 -1.202 7.487 1.00 3.41 C ATOM 798 SG CYS A 52 -2.052 -2.780 7.468 1.00 22.22 S ATOM 0 H CYS A 52 -1.407 -0.720 5.603 1.00 43.01 H new ATOM 0 HA CYS A 52 -4.080 -1.551 5.700 1.00 34.23 H new ATOM 0 HB2 CYS A 52 -2.281 -0.430 7.884 1.00 3.41 H new ATOM 0 HB3 CYS A 52 -3.786 -1.280 8.170 1.00 3.41 H new ATOM 0 HG CYS A 52 -0.943 -2.646 6.802 1.00 22.22 H new ATOM 804 N ARG A 53 -3.642 1.636 6.526 1.00 32.42 N ATOM 805 CA ARG A 53 -4.316 2.941 6.558 1.00 13.11 C ATOM 806 C ARG A 53 -5.096 3.190 5.253 1.00 62.23 C ATOM 807 O ARG A 53 -6.252 3.620 5.273 1.00 42.22 O ATOM 808 CB ARG A 53 -3.292 4.068 6.749 1.00 62.21 C ATOM 809 CG ARG A 53 -2.558 4.056 8.088 1.00 4.32 C ATOM 810 CD ARG A 53 -1.523 5.178 8.150 1.00 11.12 C ATOM 811 NE ARG A 53 -0.867 5.271 9.451 1.00 30.50 N ATOM 812 CZ ARG A 53 0.334 5.749 9.634 1.00 2.23 C ATOM 813 NH1 ARG A 53 1.050 6.132 8.621 1.00 35.53 N ATOM 814 NH2 ARG A 53 0.817 5.846 10.829 1.00 25.24 N ATOM 0 H ARG A 53 -2.645 1.674 6.736 1.00 32.42 H new ATOM 0 HA ARG A 53 -5.013 2.932 7.396 1.00 13.11 H new ATOM 0 HB2 ARG A 53 -2.555 4.008 5.948 1.00 62.21 H new ATOM 0 HB3 ARG A 53 -3.803 5.025 6.641 1.00 62.21 H new ATOM 0 HG2 ARG A 53 -3.274 4.171 8.901 1.00 4.32 H new ATOM 0 HG3 ARG A 53 -2.066 3.094 8.230 1.00 4.32 H new ATOM 0 HD2 ARG A 53 -0.770 5.014 7.379 1.00 11.12 H new ATOM 0 HD3 ARG A 53 -2.009 6.127 7.924 1.00 11.12 H new ATOM 0 HE ARG A 53 -1.380 4.942 10.269 1.00 30.50 H new ATOM 0 HH11 ARG A 53 0.675 6.060 7.675 1.00 35.53 H new ATOM 0 HH12 ARG A 53 1.988 6.505 8.771 1.00 35.53 H new ATOM 0 HH21 ARG A 53 0.260 5.549 11.630 1.00 25.24 H new ATOM 0 HH22 ARG A 53 1.755 6.220 10.971 1.00 25.24 H new ATOM 828 N LEU A 54 -4.438 2.921 4.122 1.00 74.22 N ATOM 829 CA LEU A 54 -5.044 3.083 2.795 1.00 63.15 C ATOM 830 C LEU A 54 -6.349 2.282 2.675 1.00 73.23 C ATOM 831 O LEU A 54 -7.383 2.809 2.251 1.00 13.23 O ATOM 832 CB LEU A 54 -4.044 2.641 1.714 1.00 33.11 C ATOM 833 CG LEU A 54 -4.530 2.761 0.260 1.00 41.11 C ATOM 834 CD1 LEU A 54 -4.860 4.210 -0.080 1.00 20.24 C ATOM 835 CD2 LEU A 54 -3.482 2.200 -0.702 1.00 43.11 C ATOM 0 H LEU A 54 -3.475 2.586 4.099 1.00 74.22 H new ATOM 0 HA LEU A 54 -5.289 4.136 2.654 1.00 63.15 H new ATOM 0 HB2 LEU A 54 -3.135 3.233 1.823 1.00 33.11 H new ATOM 0 HB3 LEU A 54 -3.772 1.602 1.901 1.00 33.11 H new ATOM 0 HG LEU A 54 -5.442 2.174 0.151 1.00 41.11 H new ATOM 0 HD11 LEU A 54 -5.202 4.273 -1.113 1.00 20.24 H new ATOM 0 HD12 LEU A 54 -5.645 4.570 0.585 1.00 20.24 H new ATOM 0 HD13 LEU A 54 -3.969 4.825 0.045 1.00 20.24 H new ATOM 0 HD21 LEU A 54 -3.842 2.293 -1.727 1.00 43.11 H new ATOM 0 HD22 LEU A 54 -2.552 2.758 -0.592 1.00 43.11 H new ATOM 0 HD23 LEU A 54 -3.304 1.149 -0.474 1.00 43.11 H new ATOM 847 N LEU A 55 -6.299 1.014 3.069 1.00 31.40 N ATOM 848 CA LEU A 55 -7.473 0.143 3.020 1.00 13.24 C ATOM 849 C LEU A 55 -8.565 0.619 3.996 1.00 55.32 C ATOM 850 O LEU A 55 -9.751 0.522 3.697 1.00 55.20 O ATOM 851 CB LEU A 55 -7.075 -1.308 3.325 1.00 21.21 C ATOM 852 CG LEU A 55 -8.194 -2.351 3.144 1.00 60.14 C ATOM 853 CD1 LEU A 55 -8.735 -2.327 1.715 1.00 44.51 C ATOM 854 CD2 LEU A 55 -7.695 -3.747 3.506 1.00 24.23 C ATOM 0 H LEU A 55 -5.457 0.563 3.427 1.00 31.40 H new ATOM 0 HA LEU A 55 -7.884 0.190 2.012 1.00 13.24 H new ATOM 0 HB2 LEU A 55 -6.239 -1.581 2.681 1.00 21.21 H new ATOM 0 HB3 LEU A 55 -6.715 -1.360 4.353 1.00 21.21 H new ATOM 0 HG LEU A 55 -9.009 -2.092 3.820 1.00 60.14 H new ATOM 0 HD11 LEU A 55 -9.524 -3.072 1.612 1.00 44.51 H new ATOM 0 HD12 LEU A 55 -9.138 -1.339 1.495 1.00 44.51 H new ATOM 0 HD13 LEU A 55 -7.929 -2.553 1.017 1.00 44.51 H new ATOM 0 HD21 LEU A 55 -8.501 -4.468 3.371 1.00 24.23 H new ATOM 0 HD22 LEU A 55 -6.858 -4.013 2.860 1.00 24.23 H new ATOM 0 HD23 LEU A 55 -7.368 -3.758 4.546 1.00 24.23 H new ATOM 866 N GLU A 56 -8.159 1.138 5.157 1.00 41.45 N ATOM 867 CA GLU A 56 -9.115 1.674 6.141 1.00 0.22 C ATOM 868 C GLU A 56 -9.807 2.950 5.632 1.00 74.43 C ATOM 869 O GLU A 56 -10.929 3.261 6.037 1.00 12.13 O ATOM 870 CB GLU A 56 -8.415 1.962 7.478 1.00 65.40 C ATOM 871 CG GLU A 56 -7.865 0.719 8.166 1.00 24.02 C ATOM 872 CD GLU A 56 -7.256 1.017 9.530 1.00 21.44 C ATOM 873 OE1 GLU A 56 -6.082 1.444 9.588 1.00 4.01 O ATOM 874 OE2 GLU A 56 -7.958 0.844 10.552 1.00 63.40 O ATOM 0 H GLU A 56 -7.182 1.200 5.442 1.00 41.45 H new ATOM 0 HA GLU A 56 -9.879 0.912 6.291 1.00 0.22 H new ATOM 0 HB2 GLU A 56 -7.597 2.662 7.306 1.00 65.40 H new ATOM 0 HB3 GLU A 56 -9.120 2.454 8.148 1.00 65.40 H new ATOM 0 HG2 GLU A 56 -8.667 -0.010 8.283 1.00 24.02 H new ATOM 0 HG3 GLU A 56 -7.109 0.261 7.528 1.00 24.02 H new ATOM 881 N ARG A 57 -9.126 3.698 4.769 1.00 44.14 N ATOM 882 CA ARG A 57 -9.719 4.884 4.133 1.00 64.02 C ATOM 883 C ARG A 57 -10.781 4.485 3.094 1.00 74.44 C ATOM 884 O ARG A 57 -11.894 5.017 3.084 1.00 22.41 O ATOM 885 CB ARG A 57 -8.628 5.742 3.460 1.00 42.23 C ATOM 886 CG ARG A 57 -8.172 6.944 4.284 1.00 25.12 C ATOM 887 CD ARG A 57 -7.578 6.549 5.634 1.00 52.11 C ATOM 888 NE ARG A 57 -7.114 7.719 6.381 1.00 44.24 N ATOM 889 CZ ARG A 57 -6.653 7.681 7.602 1.00 23.52 C ATOM 890 NH1 ARG A 57 -6.578 6.563 8.248 1.00 62.51 N ATOM 891 NH2 ARG A 57 -6.268 8.772 8.178 1.00 31.13 N ATOM 0 H ARG A 57 -8.163 3.509 4.490 1.00 44.14 H new ATOM 0 HA ARG A 57 -10.202 5.470 4.914 1.00 64.02 H new ATOM 0 HB2 ARG A 57 -7.764 5.111 3.252 1.00 42.23 H new ATOM 0 HB3 ARG A 57 -9.003 6.096 2.500 1.00 42.23 H new ATOM 0 HG2 ARG A 57 -7.430 7.506 3.717 1.00 25.12 H new ATOM 0 HG3 ARG A 57 -9.020 7.609 4.447 1.00 25.12 H new ATOM 0 HD2 ARG A 57 -8.327 6.016 6.220 1.00 52.11 H new ATOM 0 HD3 ARG A 57 -6.746 5.862 5.479 1.00 52.11 H new ATOM 0 HE ARG A 57 -7.153 8.626 5.916 1.00 44.24 H new ATOM 0 HH11 ARG A 57 -6.881 5.696 7.804 1.00 62.51 H new ATOM 0 HH12 ARG A 57 -6.216 6.548 9.201 1.00 62.51 H new ATOM 0 HH21 ARG A 57 -6.325 9.660 7.679 1.00 31.13 H new ATOM 0 HH22 ARG A 57 -5.907 8.745 9.132 1.00 31.13 H new ATOM 905 N LEU A 58 -10.418 3.552 2.219 1.00 73.21 N ATOM 906 CA LEU A 58 -11.304 3.111 1.135 1.00 0.05 C ATOM 907 C LEU A 58 -12.387 2.146 1.646 1.00 54.44 C ATOM 908 O LEU A 58 -13.582 2.375 1.448 1.00 2.22 O ATOM 909 CB LEU A 58 -10.471 2.446 0.032 1.00 52.14 C ATOM 910 CG LEU A 58 -9.304 3.298 -0.499 1.00 25.33 C ATOM 911 CD1 LEU A 58 -8.501 2.525 -1.537 1.00 4.52 C ATOM 912 CD2 LEU A 58 -9.810 4.620 -1.077 1.00 64.00 C ATOM 0 H LEU A 58 -9.513 3.082 2.236 1.00 73.21 H new ATOM 0 HA LEU A 58 -11.813 3.986 0.730 1.00 0.05 H new ATOM 0 HB2 LEU A 58 -10.072 1.507 0.414 1.00 52.14 H new ATOM 0 HB3 LEU A 58 -11.129 2.197 -0.801 1.00 52.14 H new ATOM 0 HG LEU A 58 -8.646 3.528 0.339 1.00 25.33 H new ATOM 0 HD11 LEU A 58 -7.681 3.146 -1.899 1.00 4.52 H new ATOM 0 HD12 LEU A 58 -8.098 1.619 -1.084 1.00 4.52 H new ATOM 0 HD13 LEU A 58 -9.149 2.256 -2.372 1.00 4.52 H new ATOM 0 HD21 LEU A 58 -8.966 5.203 -1.445 1.00 64.00 H new ATOM 0 HD22 LEU A 58 -10.498 4.418 -1.898 1.00 64.00 H new ATOM 0 HD23 LEU A 58 -10.328 5.182 -0.300 1.00 64.00 H new ATOM 924 N LEU A 59 -11.959 1.068 2.297 1.00 61.50 N ATOM 925 CA LEU A 59 -12.878 0.085 2.883 1.00 53.34 C ATOM 926 C LEU A 59 -12.728 0.054 4.419 1.00 64.51 C ATOM 927 O LEU A 59 -11.939 -0.727 4.965 1.00 60.34 O ATOM 928 CB LEU A 59 -12.602 -1.307 2.291 1.00 54.44 C ATOM 929 CG LEU A 59 -12.693 -1.405 0.755 1.00 42.32 C ATOM 930 CD1 LEU A 59 -12.341 -2.817 0.276 1.00 24.53 C ATOM 931 CD2 LEU A 59 -14.082 -0.994 0.265 1.00 22.40 C ATOM 0 H LEU A 59 -10.973 0.848 2.435 1.00 61.50 H new ATOM 0 HA LEU A 59 -13.901 0.375 2.644 1.00 53.34 H new ATOM 0 HB2 LEU A 59 -11.605 -1.623 2.599 1.00 54.44 H new ATOM 0 HB3 LEU A 59 -13.309 -2.014 2.725 1.00 54.44 H new ATOM 0 HG LEU A 59 -11.966 -0.714 0.329 1.00 42.32 H new ATOM 0 HD11 LEU A 59 -12.412 -2.861 -0.811 1.00 24.53 H new ATOM 0 HD12 LEU A 59 -11.324 -3.063 0.583 1.00 24.53 H new ATOM 0 HD13 LEU A 59 -13.035 -3.534 0.714 1.00 24.53 H new ATOM 0 HD21 LEU A 59 -14.122 -1.071 -0.822 1.00 22.40 H new ATOM 0 HD22 LEU A 59 -14.832 -1.652 0.703 1.00 22.40 H new ATOM 0 HD23 LEU A 59 -14.283 0.035 0.563 1.00 22.40 H new ATOM 943 N PRO A 60 -13.477 0.912 5.138 1.00 13.43 N ATOM 944 CA PRO A 60 -13.314 1.088 6.596 1.00 25.24 C ATOM 945 C PRO A 60 -13.641 -0.171 7.427 1.00 52.41 C ATOM 946 O PRO A 60 -14.622 -0.873 7.169 1.00 72.33 O ATOM 947 CB PRO A 60 -14.293 2.225 6.929 1.00 10.30 C ATOM 948 CG PRO A 60 -15.296 2.209 5.821 1.00 30.04 C ATOM 949 CD PRO A 60 -14.545 1.774 4.591 1.00 40.42 C ATOM 0 HA PRO A 60 -12.275 1.299 6.847 1.00 25.24 H new ATOM 0 HB2 PRO A 60 -14.770 2.064 7.896 1.00 10.30 H new ATOM 0 HB3 PRO A 60 -13.779 3.185 6.983 1.00 10.30 H new ATOM 0 HG2 PRO A 60 -16.113 1.522 6.043 1.00 30.04 H new ATOM 0 HG3 PRO A 60 -15.738 3.195 5.680 1.00 30.04 H new ATOM 0 HD2 PRO A 60 -15.187 1.230 3.898 1.00 40.42 H new ATOM 0 HD3 PRO A 60 -14.137 2.625 4.046 1.00 40.42 H new ATOM 957 N GLY A 61 -12.803 -0.442 8.432 1.00 23.02 N ATOM 958 CA GLY A 61 -13.031 -1.570 9.336 1.00 50.31 C ATOM 959 C GLY A 61 -12.470 -2.898 8.826 1.00 60.41 C ATOM 960 O GLY A 61 -12.423 -3.880 9.568 1.00 31.25 O ATOM 0 H GLY A 61 -11.965 0.102 8.638 1.00 23.02 H new ATOM 0 HA2 GLY A 61 -12.581 -1.344 10.303 1.00 50.31 H new ATOM 0 HA3 GLY A 61 -14.103 -1.679 9.501 1.00 50.31 H new ATOM 964 N THR A 62 -12.037 -2.931 7.565 1.00 74.03 N ATOM 965 CA THR A 62 -11.550 -4.175 6.937 1.00 3.00 C ATOM 966 C THR A 62 -10.253 -4.682 7.590 1.00 51.24 C ATOM 967 O THR A 62 -9.995 -5.888 7.631 1.00 40.00 O ATOM 968 CB THR A 62 -11.318 -3.982 5.415 1.00 34.43 C ATOM 969 OG1 THR A 62 -12.499 -3.427 4.812 1.00 70.22 O ATOM 970 CG2 THR A 62 -10.981 -5.305 4.729 1.00 62.10 C ATOM 0 H THR A 62 -12.011 -2.115 6.953 1.00 74.03 H new ATOM 0 HA THR A 62 -12.328 -4.923 7.091 1.00 3.00 H new ATOM 0 HB THR A 62 -10.475 -3.303 5.289 1.00 34.43 H new ATOM 0 HG1 THR A 62 -12.440 -2.449 4.817 1.00 70.22 H new ATOM 0 HG21 THR A 62 -10.825 -5.133 3.664 1.00 62.10 H new ATOM 0 HG22 THR A 62 -10.073 -5.721 5.166 1.00 62.10 H new ATOM 0 HG23 THR A 62 -11.804 -6.006 4.866 1.00 62.10 H new ATOM 978 N ILE A 63 -9.434 -3.758 8.089 1.00 3.50 N ATOM 979 CA ILE A 63 -8.213 -4.121 8.817 1.00 61.45 C ATOM 980 C ILE A 63 -8.553 -4.589 10.241 1.00 71.21 C ATOM 981 O ILE A 63 -8.892 -3.781 11.110 1.00 55.40 O ATOM 982 CB ILE A 63 -7.218 -2.932 8.885 1.00 31.51 C ATOM 983 CG1 ILE A 63 -6.822 -2.472 7.470 1.00 65.50 C ATOM 984 CG2 ILE A 63 -5.977 -3.304 9.698 1.00 64.20 C ATOM 985 CD1 ILE A 63 -6.053 -3.504 6.670 1.00 50.24 C ATOM 0 H ILE A 63 -9.591 -2.754 8.004 1.00 3.50 H new ATOM 0 HA ILE A 63 -7.739 -4.937 8.272 1.00 61.45 H new ATOM 0 HB ILE A 63 -7.716 -2.103 9.388 1.00 31.51 H new ATOM 0 HG12 ILE A 63 -7.725 -2.204 6.922 1.00 65.50 H new ATOM 0 HG13 ILE A 63 -6.218 -1.568 7.550 1.00 65.50 H new ATOM 0 HG21 ILE A 63 -5.295 -2.454 9.731 1.00 64.20 H new ATOM 0 HG22 ILE A 63 -6.273 -3.571 10.712 1.00 64.20 H new ATOM 0 HG23 ILE A 63 -5.477 -4.152 9.231 1.00 64.20 H new ATOM 0 HD11 ILE A 63 -5.814 -3.098 5.687 1.00 50.24 H new ATOM 0 HD12 ILE A 63 -5.130 -3.756 7.193 1.00 50.24 H new ATOM 0 HD13 ILE A 63 -6.661 -4.401 6.554 1.00 50.24 H new ATOM 997 N GLU A 64 -8.457 -5.895 10.477 1.00 53.25 N ATOM 998 CA GLU A 64 -8.833 -6.476 11.768 1.00 3.21 C ATOM 999 C GLU A 64 -7.741 -6.252 12.825 1.00 33.31 C ATOM 1000 O GLU A 64 -8.038 -5.923 13.979 1.00 15.11 O ATOM 1001 CB GLU A 64 -9.123 -7.970 11.602 1.00 34.04 C ATOM 1002 CG GLU A 64 -9.572 -8.662 12.884 1.00 22.51 C ATOM 1003 CD GLU A 64 -10.080 -10.070 12.635 1.00 13.20 C ATOM 1004 OE1 GLU A 64 -9.260 -11.011 12.605 1.00 72.31 O ATOM 1005 OE2 GLU A 64 -11.303 -10.238 12.455 1.00 24.52 O ATOM 0 H GLU A 64 -8.122 -6.573 9.793 1.00 53.25 H new ATOM 0 HA GLU A 64 -9.735 -5.974 12.118 1.00 3.21 H new ATOM 0 HB2 GLU A 64 -9.895 -8.097 10.843 1.00 34.04 H new ATOM 0 HB3 GLU A 64 -8.226 -8.464 11.230 1.00 34.04 H new ATOM 0 HG2 GLU A 64 -8.738 -8.698 13.585 1.00 22.51 H new ATOM 0 HG3 GLU A 64 -10.359 -8.073 13.355 1.00 22.51 H new ATOM 1012 N LYS A 65 -6.483 -6.435 12.429 1.00 41.31 N ATOM 1013 CA LYS A 65 -5.341 -6.160 13.314 1.00 31.32 C ATOM 1014 C LYS A 65 -4.089 -5.792 12.506 1.00 13.45 C ATOM 1015 O LYS A 65 -3.699 -6.511 11.585 1.00 21.30 O ATOM 1016 CB LYS A 65 -5.040 -7.370 14.212 1.00 64.35 C ATOM 1017 CG LYS A 65 -3.883 -7.138 15.187 1.00 31.42 C ATOM 1018 CD LYS A 65 -3.612 -8.367 16.052 1.00 3.01 C ATOM 1019 CE LYS A 65 -2.452 -8.139 17.018 1.00 25.23 C ATOM 1020 NZ LYS A 65 -2.721 -7.016 17.955 1.00 14.33 N ATOM 0 H LYS A 65 -6.223 -6.772 11.502 1.00 41.31 H new ATOM 0 HA LYS A 65 -5.613 -5.311 13.942 1.00 31.32 H new ATOM 0 HB2 LYS A 65 -5.936 -7.623 14.779 1.00 64.35 H new ATOM 0 HB3 LYS A 65 -4.807 -8.229 13.583 1.00 64.35 H new ATOM 0 HG2 LYS A 65 -2.983 -6.882 14.628 1.00 31.42 H new ATOM 0 HG3 LYS A 65 -4.113 -6.287 15.828 1.00 31.42 H new ATOM 0 HD2 LYS A 65 -4.510 -8.619 16.616 1.00 3.01 H new ATOM 0 HD3 LYS A 65 -3.388 -9.220 15.411 1.00 3.01 H new ATOM 0 HE2 LYS A 65 -2.270 -9.050 17.587 1.00 25.23 H new ATOM 0 HE3 LYS A 65 -1.544 -7.930 16.452 1.00 25.23 H new ATOM 0 HZ1 LYS A 65 -2.013 -7.022 18.716 1.00 14.33 H new ATOM 0 HZ2 LYS A 65 -2.668 -6.114 17.440 1.00 14.33 H new ATOM 0 HZ3 LYS A 65 -3.671 -7.126 18.365 1.00 14.33 H new ATOM 1034 N VAL A 66 -3.461 -4.677 12.861 1.00 74.24 N ATOM 1035 CA VAL A 66 -2.262 -4.207 12.161 1.00 14.34 C ATOM 1036 C VAL A 66 -1.096 -3.985 13.136 1.00 1.13 C ATOM 1037 O VAL A 66 -1.301 -3.650 14.303 1.00 20.52 O ATOM 1038 CB VAL A 66 -2.544 -2.891 11.385 1.00 14.20 C ATOM 1039 CG1 VAL A 66 -2.962 -1.771 12.337 1.00 43.42 C ATOM 1040 CG2 VAL A 66 -1.329 -2.475 10.554 1.00 52.01 C ATOM 0 H VAL A 66 -3.760 -4.078 13.630 1.00 74.24 H new ATOM 0 HA VAL A 66 -1.983 -4.985 11.450 1.00 14.34 H new ATOM 0 HB VAL A 66 -3.373 -3.077 10.702 1.00 14.20 H new ATOM 0 HG11 VAL A 66 -3.153 -0.862 11.767 1.00 43.42 H new ATOM 0 HG12 VAL A 66 -3.868 -2.064 12.868 1.00 43.42 H new ATOM 0 HG13 VAL A 66 -2.163 -1.588 13.056 1.00 43.42 H new ATOM 0 HG21 VAL A 66 -1.552 -1.551 10.020 1.00 52.01 H new ATOM 0 HG22 VAL A 66 -0.475 -2.317 11.212 1.00 52.01 H new ATOM 0 HG23 VAL A 66 -1.093 -3.261 9.836 1.00 52.01 H new ATOM 1050 N TYR A 67 0.124 -4.199 12.654 1.00 51.34 N ATOM 1051 CA TYR A 67 1.332 -3.917 13.430 1.00 13.01 C ATOM 1052 C TYR A 67 1.935 -2.572 12.991 1.00 54.00 C ATOM 1053 O TYR A 67 2.723 -2.518 12.043 1.00 63.52 O ATOM 1054 CB TYR A 67 2.359 -5.044 13.242 1.00 13.52 C ATOM 1055 CG TYR A 67 1.816 -6.426 13.558 1.00 22.33 C ATOM 1056 CD1 TYR A 67 1.144 -7.167 12.591 1.00 52.34 C ATOM 1057 CD2 TYR A 67 1.979 -6.990 14.818 1.00 41.51 C ATOM 1058 CE1 TYR A 67 0.650 -8.424 12.872 1.00 40.24 C ATOM 1059 CE2 TYR A 67 1.487 -8.248 15.104 1.00 55.42 C ATOM 1060 CZ TYR A 67 0.824 -8.961 14.126 1.00 74.23 C ATOM 1061 OH TYR A 67 0.333 -10.217 14.404 1.00 12.02 O ATOM 0 H TYR A 67 0.305 -4.570 11.721 1.00 51.34 H new ATOM 0 HA TYR A 67 1.068 -3.859 14.486 1.00 13.01 H new ATOM 0 HB2 TYR A 67 2.715 -5.030 12.212 1.00 13.52 H new ATOM 0 HB3 TYR A 67 3.221 -4.848 13.880 1.00 13.52 H new ATOM 0 HD1 TYR A 67 1.007 -6.751 11.604 1.00 52.34 H new ATOM 0 HD2 TYR A 67 2.499 -6.435 15.585 1.00 41.51 H new ATOM 0 HE1 TYR A 67 0.129 -8.984 12.110 1.00 40.24 H new ATOM 0 HE2 TYR A 67 1.620 -8.672 16.088 1.00 55.42 H new ATOM 0 HH TYR A 67 0.540 -10.451 15.333 1.00 12.02 H new ATOM 1071 N PRO A 68 1.562 -1.463 13.667 1.00 31.53 N ATOM 1072 CA PRO A 68 1.999 -0.108 13.274 1.00 4.31 C ATOM 1073 C PRO A 68 3.499 0.125 13.499 1.00 52.24 C ATOM 1074 O PRO A 68 4.083 1.071 12.969 1.00 61.33 O ATOM 1075 CB PRO A 68 1.160 0.802 14.181 1.00 71.03 C ATOM 1076 CG PRO A 68 0.853 -0.034 15.378 1.00 50.33 C ATOM 1077 CD PRO A 68 0.697 -1.439 14.864 1.00 12.23 C ATOM 0 HA PRO A 68 1.856 0.075 12.209 1.00 4.31 H new ATOM 0 HB2 PRO A 68 1.710 1.702 14.457 1.00 71.03 H new ATOM 0 HB3 PRO A 68 0.248 1.127 13.681 1.00 71.03 H new ATOM 0 HG2 PRO A 68 1.655 0.027 16.114 1.00 50.33 H new ATOM 0 HG3 PRO A 68 -0.058 0.306 15.870 1.00 50.33 H new ATOM 0 HD2 PRO A 68 1.013 -2.175 15.603 1.00 12.23 H new ATOM 0 HD3 PRO A 68 -0.340 -1.663 14.615 1.00 12.23 H new ATOM 1085 N GLU A 69 4.112 -0.749 14.287 1.00 23.21 N ATOM 1086 CA GLU A 69 5.542 -0.671 14.582 1.00 41.14 C ATOM 1087 C GLU A 69 6.153 -2.083 14.662 1.00 2.42 C ATOM 1088 O GLU A 69 6.344 -2.639 15.745 1.00 52.04 O ATOM 1089 CB GLU A 69 5.761 0.118 15.884 1.00 0.12 C ATOM 1090 CG GLU A 69 4.912 -0.371 17.061 1.00 65.34 C ATOM 1091 CD GLU A 69 4.922 0.587 18.241 1.00 4.14 C ATOM 1092 OE1 GLU A 69 5.960 1.241 18.481 1.00 51.43 O ATOM 1093 OE2 GLU A 69 3.884 0.696 18.933 1.00 64.31 O ATOM 0 H GLU A 69 3.637 -1.530 14.739 1.00 23.21 H new ATOM 0 HA GLU A 69 6.050 -0.142 13.776 1.00 41.14 H new ATOM 0 HB2 GLU A 69 6.814 0.058 16.160 1.00 0.12 H new ATOM 0 HB3 GLU A 69 5.538 1.169 15.701 1.00 0.12 H new ATOM 0 HG2 GLU A 69 3.885 -0.514 16.726 1.00 65.34 H new ATOM 0 HG3 GLU A 69 5.280 -1.344 17.387 1.00 65.34 H new ATOM 1100 N PRO A 70 6.430 -2.698 13.499 1.00 61.02 N ATOM 1101 CA PRO A 70 6.931 -4.079 13.428 1.00 1.23 C ATOM 1102 C PRO A 70 8.426 -4.210 13.766 1.00 12.32 C ATOM 1103 O PRO A 70 9.261 -3.447 13.274 1.00 71.42 O ATOM 1104 CB PRO A 70 6.668 -4.457 11.966 1.00 34.34 C ATOM 1105 CG PRO A 70 6.768 -3.170 11.218 1.00 62.42 C ATOM 1106 CD PRO A 70 6.269 -2.097 12.156 1.00 53.21 C ATOM 0 HA PRO A 70 6.442 -4.725 14.157 1.00 1.23 H new ATOM 0 HB2 PRO A 70 7.399 -5.182 11.607 1.00 34.34 H new ATOM 0 HB3 PRO A 70 5.684 -4.910 11.845 1.00 34.34 H new ATOM 0 HG2 PRO A 70 7.797 -2.975 10.915 1.00 62.42 H new ATOM 0 HG3 PRO A 70 6.169 -3.201 10.308 1.00 62.42 H new ATOM 0 HD2 PRO A 70 6.848 -1.179 12.057 1.00 53.21 H new ATOM 0 HD3 PRO A 70 5.229 -1.842 11.954 1.00 53.21 H new ATOM 1114 N ARG A 71 8.759 -5.179 14.613 1.00 53.53 N ATOM 1115 CA ARG A 71 10.158 -5.475 14.940 1.00 51.23 C ATOM 1116 C ARG A 71 10.662 -6.688 14.140 1.00 35.01 C ATOM 1117 O ARG A 71 11.843 -6.773 13.794 1.00 74.54 O ATOM 1118 CB ARG A 71 10.326 -5.743 16.447 1.00 41.01 C ATOM 1119 CG ARG A 71 10.147 -4.516 17.346 1.00 75.35 C ATOM 1120 CD ARG A 71 8.692 -4.073 17.456 1.00 40.21 C ATOM 1121 NE ARG A 71 8.539 -2.900 18.316 1.00 22.41 N ATOM 1122 CZ ARG A 71 7.502 -2.679 19.081 1.00 14.04 C ATOM 1123 NH1 ARG A 71 6.547 -3.548 19.168 1.00 4.11 N ATOM 1124 NH2 ARG A 71 7.438 -1.596 19.781 1.00 64.30 N ATOM 0 H ARG A 71 8.082 -5.776 15.088 1.00 53.53 H new ATOM 0 HA ARG A 71 10.751 -4.602 14.670 1.00 51.23 H new ATOM 0 HB2 ARG A 71 9.606 -6.504 16.748 1.00 41.01 H new ATOM 0 HB3 ARG A 71 11.319 -6.159 16.618 1.00 41.01 H new ATOM 0 HG2 ARG A 71 10.530 -4.741 18.341 1.00 75.35 H new ATOM 0 HG3 ARG A 71 10.744 -3.693 16.953 1.00 75.35 H new ATOM 0 HD2 ARG A 71 8.306 -3.846 16.462 1.00 40.21 H new ATOM 0 HD3 ARG A 71 8.092 -4.893 17.851 1.00 40.21 H new ATOM 0 HE ARG A 71 9.290 -2.210 18.319 1.00 22.41 H new ATOM 0 HH11 ARG A 71 6.598 -4.417 18.636 1.00 4.11 H new ATOM 0 HH12 ARG A 71 5.743 -3.364 19.768 1.00 4.11 H new ATOM 0 HH21 ARG A 71 8.196 -0.915 19.737 1.00 64.30 H new ATOM 0 HH22 ARG A 71 6.630 -1.422 20.378 1.00 64.30 H new ATOM 1138 N SER A 72 9.755 -7.620 13.845 1.00 62.33 N ATOM 1139 CA SER A 72 10.106 -8.862 13.136 1.00 45.23 C ATOM 1140 C SER A 72 9.473 -8.916 11.738 1.00 64.02 C ATOM 1141 O SER A 72 8.383 -8.385 11.515 1.00 61.43 O ATOM 1142 CB SER A 72 9.649 -10.081 13.949 1.00 24.15 C ATOM 1143 OG SER A 72 10.223 -10.080 15.249 1.00 52.34 O ATOM 0 H SER A 72 8.767 -7.542 14.085 1.00 62.33 H new ATOM 0 HA SER A 72 11.190 -8.878 13.021 1.00 45.23 H new ATOM 0 HB2 SER A 72 8.562 -10.080 14.029 1.00 24.15 H new ATOM 0 HB3 SER A 72 9.929 -10.995 13.426 1.00 24.15 H new ATOM 0 HG SER A 72 9.913 -10.867 15.744 1.00 52.34 H new ATOM 1149 N GLU A 73 10.166 -9.577 10.805 1.00 43.55 N ATOM 1150 CA GLU A 73 9.686 -9.740 9.421 1.00 74.24 C ATOM 1151 C GLU A 73 8.218 -10.209 9.355 1.00 33.23 C ATOM 1152 O GLU A 73 7.421 -9.679 8.578 1.00 73.34 O ATOM 1153 CB GLU A 73 10.581 -10.749 8.684 1.00 51.41 C ATOM 1154 CG GLU A 73 10.151 -11.028 7.247 1.00 72.24 C ATOM 1155 CD GLU A 73 11.028 -12.062 6.562 1.00 73.22 C ATOM 1156 OE1 GLU A 73 12.064 -11.680 5.979 1.00 72.25 O ATOM 1157 OE2 GLU A 73 10.691 -13.267 6.614 1.00 74.11 O ATOM 0 H GLU A 73 11.071 -10.013 10.982 1.00 43.55 H new ATOM 0 HA GLU A 73 9.736 -8.762 8.942 1.00 74.24 H new ATOM 0 HB2 GLU A 73 11.605 -10.375 8.680 1.00 51.41 H new ATOM 0 HB3 GLU A 73 10.587 -11.687 9.239 1.00 51.41 H new ATOM 0 HG2 GLU A 73 9.117 -11.374 7.242 1.00 72.24 H new ATOM 0 HG3 GLU A 73 10.179 -10.099 6.677 1.00 72.24 H new ATOM 1164 N SER A 74 7.874 -11.207 10.171 1.00 43.13 N ATOM 1165 CA SER A 74 6.507 -11.759 10.205 1.00 61.14 C ATOM 1166 C SER A 74 5.447 -10.665 10.392 1.00 71.15 C ATOM 1167 O SER A 74 4.434 -10.642 9.690 1.00 35.15 O ATOM 1168 CB SER A 74 6.375 -12.792 11.329 1.00 31.03 C ATOM 1169 OG SER A 74 5.054 -13.304 11.408 1.00 63.03 O ATOM 0 H SER A 74 8.521 -11.654 10.821 1.00 43.13 H new ATOM 0 HA SER A 74 6.333 -12.237 9.241 1.00 61.14 H new ATOM 0 HB2 SER A 74 7.074 -13.610 11.157 1.00 31.03 H new ATOM 0 HB3 SER A 74 6.647 -12.334 12.280 1.00 31.03 H new ATOM 0 HG SER A 74 5.001 -13.962 12.133 1.00 63.03 H new ATOM 1175 N GLU A 75 5.694 -9.754 11.335 1.00 10.32 N ATOM 1176 CA GLU A 75 4.773 -8.641 11.600 1.00 72.44 C ATOM 1177 C GLU A 75 4.512 -7.818 10.327 1.00 61.41 C ATOM 1178 O GLU A 75 3.364 -7.551 9.968 1.00 33.33 O ATOM 1179 CB GLU A 75 5.343 -7.729 12.698 1.00 14.15 C ATOM 1180 CG GLU A 75 5.537 -8.416 14.048 1.00 22.30 C ATOM 1181 CD GLU A 75 6.104 -7.478 15.107 1.00 34.33 C ATOM 1182 OE1 GLU A 75 5.331 -6.686 15.687 1.00 4.21 O ATOM 1183 OE2 GLU A 75 7.329 -7.524 15.358 1.00 32.41 O ATOM 0 H GLU A 75 6.523 -9.763 11.929 1.00 10.32 H new ATOM 0 HA GLU A 75 3.826 -9.065 11.936 1.00 72.44 H new ATOM 0 HB2 GLU A 75 6.302 -7.333 12.364 1.00 14.15 H new ATOM 0 HB3 GLU A 75 4.675 -6.877 12.830 1.00 14.15 H new ATOM 0 HG2 GLU A 75 4.581 -8.810 14.392 1.00 22.30 H new ATOM 0 HG3 GLU A 75 6.207 -9.267 13.925 1.00 22.30 H new ATOM 1190 N CYS A 76 5.589 -7.432 9.648 1.00 3.22 N ATOM 1191 CA CYS A 76 5.497 -6.642 8.411 1.00 42.23 C ATOM 1192 C CYS A 76 4.717 -7.394 7.319 1.00 1.41 C ATOM 1193 O CYS A 76 3.775 -6.860 6.728 1.00 2.35 O ATOM 1194 CB CYS A 76 6.901 -6.311 7.900 1.00 22.32 C ATOM 1195 SG CYS A 76 7.981 -5.563 9.142 1.00 21.02 S ATOM 0 H CYS A 76 6.544 -7.652 9.931 1.00 3.22 H new ATOM 0 HA CYS A 76 4.960 -5.722 8.641 1.00 42.23 H new ATOM 0 HB2 CYS A 76 7.367 -7.225 7.532 1.00 22.32 H new ATOM 0 HB3 CYS A 76 6.817 -5.632 7.051 1.00 22.32 H new ATOM 0 HG CYS A 76 8.319 -4.367 8.760 1.00 21.02 H new ATOM 1201 N LEU A 77 5.117 -8.643 7.064 1.00 60.50 N ATOM 1202 CA LEU A 77 4.445 -9.490 6.067 1.00 62.43 C ATOM 1203 C LEU A 77 2.948 -9.635 6.376 1.00 11.32 C ATOM 1204 O LEU A 77 2.116 -9.655 5.468 1.00 12.24 O ATOM 1205 CB LEU A 77 5.104 -10.877 6.007 1.00 3.11 C ATOM 1206 CG LEU A 77 6.578 -10.890 5.564 1.00 31.55 C ATOM 1207 CD1 LEU A 77 7.126 -12.314 5.555 1.00 32.31 C ATOM 1208 CD2 LEU A 77 6.740 -10.239 4.190 1.00 44.01 C ATOM 0 H LEU A 77 5.903 -9.093 7.533 1.00 60.50 H new ATOM 0 HA LEU A 77 4.548 -9.004 5.097 1.00 62.43 H new ATOM 0 HB2 LEU A 77 5.035 -11.336 6.993 1.00 3.11 H new ATOM 0 HB3 LEU A 77 4.531 -11.503 5.323 1.00 3.11 H new ATOM 0 HG LEU A 77 7.153 -10.307 6.284 1.00 31.55 H new ATOM 0 HD11 LEU A 77 8.169 -12.300 5.239 1.00 32.31 H new ATOM 0 HD12 LEU A 77 7.056 -12.737 6.557 1.00 32.31 H new ATOM 0 HD13 LEU A 77 6.545 -12.923 4.862 1.00 32.31 H new ATOM 0 HD21 LEU A 77 7.790 -10.260 3.899 1.00 44.01 H new ATOM 0 HD22 LEU A 77 6.149 -10.787 3.456 1.00 44.01 H new ATOM 0 HD23 LEU A 77 6.397 -9.205 4.234 1.00 44.01 H new ATOM 1220 N SER A 78 2.616 -9.732 7.664 1.00 11.35 N ATOM 1221 CA SER A 78 1.217 -9.834 8.102 1.00 23.42 C ATOM 1222 C SER A 78 0.415 -8.583 7.715 1.00 74.23 C ATOM 1223 O SER A 78 -0.720 -8.687 7.250 1.00 43.23 O ATOM 1224 CB SER A 78 1.134 -10.049 9.620 1.00 52.21 C ATOM 1225 OG SER A 78 -0.214 -10.155 10.052 1.00 42.31 O ATOM 0 H SER A 78 3.295 -9.742 8.425 1.00 11.35 H new ATOM 0 HA SER A 78 0.782 -10.695 7.594 1.00 23.42 H new ATOM 0 HB2 SER A 78 1.678 -10.954 9.892 1.00 52.21 H new ATOM 0 HB3 SER A 78 1.619 -9.219 10.134 1.00 52.21 H new ATOM 0 HG SER A 78 -0.244 -10.599 10.925 1.00 42.31 H new ATOM 1231 N ASN A 79 1.013 -7.404 7.901 1.00 4.44 N ATOM 1232 CA ASN A 79 0.367 -6.140 7.517 1.00 44.25 C ATOM 1233 C ASN A 79 0.018 -6.127 6.023 1.00 52.52 C ATOM 1234 O ASN A 79 -1.096 -5.774 5.631 1.00 5.31 O ATOM 1235 CB ASN A 79 1.276 -4.947 7.837 1.00 61.40 C ATOM 1236 CG ASN A 79 1.584 -4.818 9.315 1.00 13.31 C ATOM 1237 OD1 ASN A 79 0.801 -5.222 10.163 1.00 43.33 O ATOM 1238 ND2 ASN A 79 2.725 -4.241 9.635 1.00 14.13 N ATOM 0 H ASN A 79 1.940 -7.295 8.313 1.00 4.44 H new ATOM 0 HA ASN A 79 -0.554 -6.056 8.094 1.00 44.25 H new ATOM 0 HB2 ASN A 79 2.210 -5.050 7.284 1.00 61.40 H new ATOM 0 HB3 ASN A 79 0.799 -4.030 7.489 1.00 61.40 H new ATOM 0 HD21 ASN A 79 2.978 -4.120 10.616 1.00 14.13 H new ATOM 0 HD22 ASN A 79 3.355 -3.916 8.902 1.00 14.13 H new ATOM 1245 N ILE A 80 0.980 -6.513 5.191 1.00 3.50 N ATOM 1246 CA ILE A 80 0.759 -6.583 3.746 1.00 12.53 C ATOM 1247 C ILE A 80 -0.313 -7.633 3.404 1.00 44.22 C ATOM 1248 O ILE A 80 -1.181 -7.400 2.562 1.00 61.34 O ATOM 1249 CB ILE A 80 2.069 -6.909 2.985 1.00 31.51 C ATOM 1250 CG1 ILE A 80 3.183 -5.922 3.378 1.00 21.34 C ATOM 1251 CG2 ILE A 80 1.833 -6.876 1.475 1.00 45.24 C ATOM 1252 CD1 ILE A 80 4.518 -6.207 2.720 1.00 35.34 C ATOM 0 H ILE A 80 1.918 -6.782 5.489 1.00 3.50 H new ATOM 0 HA ILE A 80 0.410 -5.601 3.427 1.00 12.53 H new ATOM 0 HB ILE A 80 2.387 -7.914 3.263 1.00 31.51 H new ATOM 0 HG12 ILE A 80 2.869 -4.912 3.116 1.00 21.34 H new ATOM 0 HG13 ILE A 80 3.310 -5.946 4.460 1.00 21.34 H new ATOM 0 HG21 ILE A 80 2.763 -7.107 0.956 1.00 45.24 H new ATOM 0 HG22 ILE A 80 1.076 -7.614 1.209 1.00 45.24 H new ATOM 0 HG23 ILE A 80 1.491 -5.883 1.182 1.00 45.24 H new ATOM 0 HD11 ILE A 80 5.250 -5.469 3.047 1.00 35.34 H new ATOM 0 HD12 ILE A 80 4.857 -7.204 3.002 1.00 35.34 H new ATOM 0 HD13 ILE A 80 4.408 -6.154 1.637 1.00 35.34 H new ATOM 1264 N ARG A 81 -0.257 -8.785 4.076 1.00 30.53 N ATOM 1265 CA ARG A 81 -1.247 -9.852 3.874 1.00 51.33 C ATOM 1266 C ARG A 81 -2.667 -9.386 4.235 1.00 63.21 C ATOM 1267 O ARG A 81 -3.626 -9.715 3.539 1.00 21.32 O ATOM 1268 CB ARG A 81 -0.877 -11.095 4.698 1.00 55.42 C ATOM 1269 CG ARG A 81 0.321 -11.870 4.154 1.00 65.21 C ATOM 1270 CD ARG A 81 0.676 -13.064 5.036 1.00 60.32 C ATOM 1271 NE ARG A 81 -0.449 -13.986 5.202 1.00 44.53 N ATOM 1272 CZ ARG A 81 -0.337 -15.200 5.675 1.00 34.33 C ATOM 1273 NH1 ARG A 81 0.823 -15.692 5.974 1.00 15.33 N ATOM 1274 NH2 ARG A 81 -1.390 -15.930 5.841 1.00 5.22 N ATOM 0 H ARG A 81 0.462 -9.005 4.765 1.00 30.53 H new ATOM 0 HA ARG A 81 -1.236 -10.109 2.815 1.00 51.33 H new ATOM 0 HB2 ARG A 81 -0.663 -10.788 5.722 1.00 55.42 H new ATOM 0 HB3 ARG A 81 -1.739 -11.761 4.738 1.00 55.42 H new ATOM 0 HG2 ARG A 81 0.100 -12.217 3.145 1.00 65.21 H new ATOM 0 HG3 ARG A 81 1.181 -11.204 4.081 1.00 65.21 H new ATOM 0 HD2 ARG A 81 1.519 -13.598 4.598 1.00 60.32 H new ATOM 0 HD3 ARG A 81 0.998 -12.707 6.014 1.00 60.32 H new ATOM 0 HE ARG A 81 -1.378 -13.661 4.932 1.00 44.53 H new ATOM 0 HH11 ARG A 81 1.664 -15.131 5.841 1.00 15.33 H new ATOM 0 HH12 ARG A 81 0.895 -16.641 6.342 1.00 15.33 H new ATOM 0 HH21 ARG A 81 -2.310 -15.560 5.603 1.00 5.22 H new ATOM 0 HH22 ARG A 81 -1.301 -16.877 6.210 1.00 5.22 H new ATOM 1288 N GLU A 82 -2.795 -8.621 5.322 1.00 44.54 N ATOM 1289 CA GLU A 82 -4.094 -8.065 5.732 1.00 21.40 C ATOM 1290 C GLU A 82 -4.659 -7.144 4.631 1.00 51.20 C ATOM 1291 O GLU A 82 -5.846 -7.203 4.296 1.00 72.22 O ATOM 1292 CB GLU A 82 -3.954 -7.291 7.059 1.00 41.32 C ATOM 1293 CG GLU A 82 -5.272 -6.741 7.612 1.00 61.11 C ATOM 1294 CD GLU A 82 -6.171 -7.809 8.225 1.00 1.12 C ATOM 1295 OE1 GLU A 82 -6.617 -8.719 7.492 1.00 51.42 O ATOM 1296 OE2 GLU A 82 -6.448 -7.741 9.444 1.00 14.24 O ATOM 0 H GLU A 82 -2.019 -8.371 5.935 1.00 44.54 H new ATOM 0 HA GLU A 82 -4.790 -8.890 5.883 1.00 21.40 H new ATOM 0 HB2 GLU A 82 -3.508 -7.949 7.804 1.00 41.32 H new ATOM 0 HB3 GLU A 82 -3.262 -6.462 6.911 1.00 41.32 H new ATOM 0 HG2 GLU A 82 -5.052 -5.986 8.367 1.00 61.11 H new ATOM 0 HG3 GLU A 82 -5.813 -6.241 6.809 1.00 61.11 H new ATOM 1303 N PHE A 83 -3.791 -6.305 4.064 1.00 74.05 N ATOM 1304 CA PHE A 83 -4.160 -5.441 2.935 1.00 14.34 C ATOM 1305 C PHE A 83 -4.606 -6.271 1.718 1.00 21.12 C ATOM 1306 O PHE A 83 -5.691 -6.056 1.165 1.00 22.01 O ATOM 1307 CB PHE A 83 -2.969 -4.545 2.566 1.00 42.32 C ATOM 1308 CG PHE A 83 -3.201 -3.674 1.355 1.00 21.23 C ATOM 1309 CD1 PHE A 83 -3.998 -2.540 1.440 1.00 13.54 C ATOM 1310 CD2 PHE A 83 -2.620 -3.989 0.133 1.00 40.12 C ATOM 1311 CE1 PHE A 83 -4.209 -1.740 0.334 1.00 64.23 C ATOM 1312 CE2 PHE A 83 -2.829 -3.191 -0.975 1.00 75.41 C ATOM 1313 CZ PHE A 83 -3.623 -2.066 -0.874 1.00 13.52 C ATOM 0 H PHE A 83 -2.823 -6.203 4.368 1.00 74.05 H new ATOM 0 HA PHE A 83 -5.003 -4.819 3.235 1.00 14.34 H new ATOM 0 HB2 PHE A 83 -2.731 -3.908 3.418 1.00 42.32 H new ATOM 0 HB3 PHE A 83 -2.098 -5.174 2.385 1.00 42.32 H new ATOM 0 HD1 PHE A 83 -4.458 -2.281 2.382 1.00 13.54 H new ATOM 0 HD2 PHE A 83 -1.998 -4.868 0.048 1.00 40.12 H new ATOM 0 HE1 PHE A 83 -4.831 -0.861 0.413 1.00 64.23 H new ATOM 0 HE2 PHE A 83 -2.372 -3.447 -1.919 1.00 75.41 H new ATOM 0 HZ PHE A 83 -3.786 -1.441 -1.739 1.00 13.52 H new ATOM 1323 N LEU A 84 -3.761 -7.220 1.310 1.00 1.14 N ATOM 1324 CA LEU A 84 -4.073 -8.123 0.194 1.00 63.24 C ATOM 1325 C LEU A 84 -5.359 -8.918 0.462 1.00 31.34 C ATOM 1326 O LEU A 84 -6.102 -9.259 -0.462 1.00 12.34 O ATOM 1327 CB LEU A 84 -2.906 -9.094 -0.038 1.00 41.51 C ATOM 1328 CG LEU A 84 -1.553 -8.436 -0.358 1.00 11.24 C ATOM 1329 CD1 LEU A 84 -0.444 -9.485 -0.424 1.00 65.12 C ATOM 1330 CD2 LEU A 84 -1.631 -7.642 -1.660 1.00 44.43 C ATOM 0 H LEU A 84 -2.850 -7.386 1.737 1.00 1.14 H new ATOM 0 HA LEU A 84 -4.226 -7.514 -0.697 1.00 63.24 H new ATOM 0 HB2 LEU A 84 -2.788 -9.713 0.852 1.00 41.51 H new ATOM 0 HB3 LEU A 84 -3.169 -9.762 -0.858 1.00 41.51 H new ATOM 0 HG LEU A 84 -1.313 -7.741 0.447 1.00 11.24 H new ATOM 0 HD11 LEU A 84 0.504 -8.998 -0.651 1.00 65.12 H new ATOM 0 HD12 LEU A 84 -0.369 -9.996 0.536 1.00 65.12 H new ATOM 0 HD13 LEU A 84 -0.675 -10.211 -1.204 1.00 65.12 H new ATOM 0 HD21 LEU A 84 -0.663 -7.185 -1.866 1.00 44.43 H new ATOM 0 HD22 LEU A 84 -1.899 -8.310 -2.478 1.00 44.43 H new ATOM 0 HD23 LEU A 84 -2.387 -6.863 -1.566 1.00 44.43 H new ATOM 1342 N ARG A 85 -5.604 -9.218 1.733 1.00 24.43 N ATOM 1343 CA ARG A 85 -6.816 -9.921 2.155 1.00 43.23 C ATOM 1344 C ARG A 85 -8.071 -9.081 1.872 1.00 53.32 C ATOM 1345 O ARG A 85 -9.004 -9.547 1.216 1.00 1.14 O ATOM 1346 CB ARG A 85 -6.720 -10.254 3.652 1.00 0.45 C ATOM 1347 CG ARG A 85 -7.994 -10.841 4.252 1.00 33.33 C ATOM 1348 CD ARG A 85 -7.814 -11.200 5.726 1.00 35.51 C ATOM 1349 NE ARG A 85 -6.899 -12.324 5.921 1.00 21.50 N ATOM 1350 CZ ARG A 85 -5.928 -12.346 6.795 1.00 3.32 C ATOM 1351 NH1 ARG A 85 -5.647 -11.298 7.504 1.00 1.51 N ATOM 1352 NH2 ARG A 85 -5.227 -13.422 6.950 1.00 33.52 N ATOM 0 H ARG A 85 -4.973 -8.983 2.499 1.00 24.43 H new ATOM 0 HA ARG A 85 -6.900 -10.845 1.583 1.00 43.23 H new ATOM 0 HB2 ARG A 85 -5.904 -10.960 3.803 1.00 0.45 H new ATOM 0 HB3 ARG A 85 -6.461 -9.346 4.197 1.00 0.45 H new ATOM 0 HG2 ARG A 85 -8.808 -10.123 4.149 1.00 33.33 H new ATOM 0 HG3 ARG A 85 -8.282 -11.732 3.694 1.00 33.33 H new ATOM 0 HD2 ARG A 85 -7.437 -10.331 6.265 1.00 35.51 H new ATOM 0 HD3 ARG A 85 -8.784 -11.446 6.158 1.00 35.51 H new ATOM 0 HE ARG A 85 -7.028 -13.148 5.334 1.00 21.50 H new ATOM 0 HH11 ARG A 85 -6.187 -10.441 7.384 1.00 1.51 H new ATOM 0 HH12 ARG A 85 -4.886 -11.330 8.182 1.00 1.51 H new ATOM 0 HH21 ARG A 85 -5.433 -14.250 6.391 1.00 33.52 H new ATOM 0 HH22 ARG A 85 -4.468 -13.443 7.631 1.00 33.52 H new ATOM 1366 N GLY A 86 -8.076 -7.837 2.354 1.00 34.45 N ATOM 1367 CA GLY A 86 -9.225 -6.954 2.161 1.00 72.21 C ATOM 1368 C GLY A 86 -9.493 -6.614 0.698 1.00 65.05 C ATOM 1369 O GLY A 86 -10.569 -6.916 0.171 1.00 12.22 O ATOM 0 H GLY A 86 -7.304 -7.422 2.876 1.00 34.45 H new ATOM 0 HA2 GLY A 86 -10.111 -7.427 2.584 1.00 72.21 H new ATOM 0 HA3 GLY A 86 -9.061 -6.030 2.716 1.00 72.21 H new ATOM 1373 N CYS A 87 -8.522 -5.977 0.043 1.00 54.43 N ATOM 1374 CA CYS A 87 -8.647 -5.617 -1.378 1.00 30.41 C ATOM 1375 C CYS A 87 -8.936 -6.851 -2.244 1.00 15.32 C ATOM 1376 O CYS A 87 -9.778 -6.816 -3.144 1.00 21.22 O ATOM 1377 CB CYS A 87 -7.364 -4.936 -1.860 1.00 33.30 C ATOM 1378 SG CYS A 87 -6.894 -3.491 -0.880 1.00 52.42 S ATOM 0 H CYS A 87 -7.639 -5.698 0.470 1.00 54.43 H new ATOM 0 HA CYS A 87 -9.486 -4.928 -1.477 1.00 30.41 H new ATOM 0 HB2 CYS A 87 -6.549 -5.659 -1.838 1.00 33.30 H new ATOM 0 HB3 CYS A 87 -7.493 -4.633 -2.899 1.00 33.30 H new ATOM 0 HG CYS A 87 -5.618 -3.279 -1.005 1.00 52.42 H new ATOM 1384 N GLY A 88 -8.231 -7.941 -1.957 1.00 24.40 N ATOM 1385 CA GLY A 88 -8.437 -9.190 -2.679 1.00 53.55 C ATOM 1386 C GLY A 88 -9.834 -9.778 -2.486 1.00 61.53 C ATOM 1387 O GLY A 88 -10.429 -10.292 -3.430 1.00 30.13 O ATOM 0 H GLY A 88 -7.515 -7.984 -1.232 1.00 24.40 H new ATOM 0 HA2 GLY A 88 -8.266 -9.019 -3.742 1.00 53.55 H new ATOM 0 HA3 GLY A 88 -7.696 -9.918 -2.350 1.00 53.55 H new ATOM 1391 N ALA A 89 -10.364 -9.695 -1.266 1.00 22.53 N ATOM 1392 CA ALA A 89 -11.681 -10.266 -0.948 1.00 43.02 C ATOM 1393 C ALA A 89 -12.837 -9.429 -1.525 1.00 4.42 C ATOM 1394 O ALA A 89 -13.610 -9.907 -2.357 1.00 73.21 O ATOM 1395 CB ALA A 89 -11.839 -10.414 0.563 1.00 71.04 C ATOM 0 H ALA A 89 -9.904 -9.238 -0.478 1.00 22.53 H new ATOM 0 HA ALA A 89 -11.730 -11.249 -1.417 1.00 43.02 H new ATOM 0 HB1 ALA A 89 -12.818 -10.838 0.787 1.00 71.04 H new ATOM 0 HB2 ALA A 89 -11.061 -11.074 0.947 1.00 71.04 H new ATOM 0 HB3 ALA A 89 -11.751 -9.436 1.036 1.00 71.04 H new ATOM 1401 N SER A 90 -12.949 -8.177 -1.081 1.00 75.34 N ATOM 1402 CA SER A 90 -14.064 -7.304 -1.486 1.00 35.21 C ATOM 1403 C SER A 90 -13.976 -6.880 -2.961 1.00 74.03 C ATOM 1404 O SER A 90 -14.949 -6.985 -3.712 1.00 25.12 O ATOM 1405 CB SER A 90 -14.115 -6.052 -0.597 1.00 41.25 C ATOM 1406 OG SER A 90 -15.108 -5.140 -1.051 1.00 53.25 O ATOM 0 H SER A 90 -12.285 -7.740 -0.442 1.00 75.34 H new ATOM 0 HA SER A 90 -14.977 -7.886 -1.362 1.00 35.21 H new ATOM 0 HB2 SER A 90 -14.327 -6.342 0.432 1.00 41.25 H new ATOM 0 HB3 SER A 90 -13.141 -5.563 -0.597 1.00 41.25 H new ATOM 0 HG SER A 90 -15.121 -4.353 -0.467 1.00 53.25 H new ATOM 1412 N LEU A 91 -12.808 -6.400 -3.373 1.00 20.03 N ATOM 1413 CA LEU A 91 -12.630 -5.846 -4.720 1.00 71.33 C ATOM 1414 C LEU A 91 -12.268 -6.921 -5.761 1.00 74.15 C ATOM 1415 O LEU A 91 -12.531 -6.745 -6.953 1.00 63.12 O ATOM 1416 CB LEU A 91 -11.559 -4.748 -4.675 1.00 12.31 C ATOM 1417 CG LEU A 91 -11.991 -3.457 -3.955 1.00 24.35 C ATOM 1418 CD1 LEU A 91 -10.786 -2.582 -3.618 1.00 51.02 C ATOM 1419 CD2 LEU A 91 -12.988 -2.682 -4.815 1.00 2.35 C ATOM 0 H LEU A 91 -11.967 -6.381 -2.797 1.00 20.03 H new ATOM 0 HA LEU A 91 -13.583 -5.423 -5.038 1.00 71.33 H new ATOM 0 HB2 LEU A 91 -10.672 -5.144 -4.180 1.00 12.31 H new ATOM 0 HB3 LEU A 91 -11.270 -4.499 -5.696 1.00 12.31 H new ATOM 0 HG LEU A 91 -12.473 -3.737 -3.019 1.00 24.35 H new ATOM 0 HD11 LEU A 91 -11.123 -1.678 -3.110 1.00 51.02 H new ATOM 0 HD12 LEU A 91 -10.108 -3.132 -2.966 1.00 51.02 H new ATOM 0 HD13 LEU A 91 -10.266 -2.310 -4.536 1.00 51.02 H new ATOM 0 HD21 LEU A 91 -13.286 -1.771 -4.295 1.00 2.35 H new ATOM 0 HD22 LEU A 91 -12.523 -2.422 -5.766 1.00 2.35 H new ATOM 0 HD23 LEU A 91 -13.867 -3.299 -4.998 1.00 2.35 H new ATOM 1431 N ARG A 92 -11.666 -8.024 -5.305 1.00 2.44 N ATOM 1432 CA ARG A 92 -11.269 -9.138 -6.190 1.00 14.11 C ATOM 1433 C ARG A 92 -10.279 -8.687 -7.284 1.00 1.14 C ATOM 1434 O ARG A 92 -10.115 -9.359 -8.302 1.00 23.23 O ATOM 1435 CB ARG A 92 -12.503 -9.788 -6.841 1.00 13.42 C ATOM 1436 CG ARG A 92 -13.490 -10.413 -5.855 1.00 33.33 C ATOM 1437 CD ARG A 92 -12.844 -11.489 -4.982 1.00 64.10 C ATOM 1438 NE ARG A 92 -12.165 -12.521 -5.769 1.00 22.52 N ATOM 1439 CZ ARG A 92 -11.671 -13.623 -5.264 1.00 21.42 C ATOM 1440 NH1 ARG A 92 -11.807 -13.893 -4.004 1.00 41.54 N ATOM 1441 NH2 ARG A 92 -11.046 -14.458 -6.031 1.00 71.33 N ATOM 0 H ARG A 92 -11.439 -8.175 -4.322 1.00 2.44 H new ATOM 0 HA ARG A 92 -10.764 -9.873 -5.563 1.00 14.11 H new ATOM 0 HB2 ARG A 92 -13.026 -9.034 -7.429 1.00 13.42 H new ATOM 0 HB3 ARG A 92 -12.167 -10.558 -7.536 1.00 13.42 H new ATOM 0 HG2 ARG A 92 -13.904 -9.632 -5.217 1.00 33.33 H new ATOM 0 HG3 ARG A 92 -14.323 -10.849 -6.407 1.00 33.33 H new ATOM 0 HD2 ARG A 92 -12.127 -11.022 -4.307 1.00 64.10 H new ATOM 0 HD3 ARG A 92 -13.609 -11.955 -4.361 1.00 64.10 H new ATOM 0 HE ARG A 92 -12.071 -12.372 -6.774 1.00 22.52 H new ATOM 0 HH11 ARG A 92 -12.303 -13.244 -3.394 1.00 41.54 H new ATOM 0 HH12 ARG A 92 -11.418 -14.755 -3.622 1.00 41.54 H new ATOM 0 HH21 ARG A 92 -10.940 -14.256 -7.025 1.00 71.33 H new ATOM 0 HH22 ARG A 92 -10.660 -15.318 -5.641 1.00 71.33 H new ATOM 1455 N LEU A 93 -9.610 -7.559 -7.057 1.00 34.45 N ATOM 1456 CA LEU A 93 -8.663 -7.009 -8.037 1.00 1.24 C ATOM 1457 C LEU A 93 -7.301 -7.724 -7.980 1.00 34.41 C ATOM 1458 O LEU A 93 -7.036 -8.508 -7.065 1.00 53.11 O ATOM 1459 CB LEU A 93 -8.507 -5.488 -7.826 1.00 63.31 C ATOM 1460 CG LEU A 93 -8.162 -5.019 -6.394 1.00 71.41 C ATOM 1461 CD1 LEU A 93 -6.687 -5.230 -6.065 1.00 53.21 C ATOM 1462 CD2 LEU A 93 -8.542 -3.555 -6.202 1.00 32.43 C ATOM 0 H LEU A 93 -9.703 -7.005 -6.206 1.00 34.45 H new ATOM 0 HA LEU A 93 -9.068 -7.183 -9.034 1.00 1.24 H new ATOM 0 HB2 LEU A 93 -7.728 -5.129 -8.499 1.00 63.31 H new ATOM 0 HB3 LEU A 93 -9.436 -5.005 -8.128 1.00 63.31 H new ATOM 0 HG LEU A 93 -8.745 -5.630 -5.705 1.00 71.41 H new ATOM 0 HD11 LEU A 93 -6.488 -4.887 -5.050 1.00 53.21 H new ATOM 0 HD12 LEU A 93 -6.445 -6.290 -6.144 1.00 53.21 H new ATOM 0 HD13 LEU A 93 -6.073 -4.664 -6.766 1.00 53.21 H new ATOM 0 HD21 LEU A 93 -8.291 -3.244 -5.188 1.00 32.43 H new ATOM 0 HD22 LEU A 93 -7.994 -2.940 -6.916 1.00 32.43 H new ATOM 0 HD23 LEU A 93 -9.613 -3.433 -6.365 1.00 32.43 H new ATOM 1474 N GLU A 94 -6.447 -7.449 -8.963 1.00 11.35 N ATOM 1475 CA GLU A 94 -5.122 -8.074 -9.039 1.00 52.01 C ATOM 1476 C GLU A 94 -4.218 -7.649 -7.870 1.00 52.51 C ATOM 1477 O GLU A 94 -3.993 -6.460 -7.634 1.00 33.13 O ATOM 1478 CB GLU A 94 -4.456 -7.736 -10.379 1.00 13.31 C ATOM 1479 CG GLU A 94 -5.124 -8.409 -11.572 1.00 0.41 C ATOM 1480 CD GLU A 94 -4.529 -7.984 -12.904 1.00 30.13 C ATOM 1481 OE1 GLU A 94 -3.393 -8.399 -13.216 1.00 64.11 O ATOM 1482 OE2 GLU A 94 -5.202 -7.244 -13.651 1.00 12.33 O ATOM 0 H GLU A 94 -6.646 -6.796 -9.721 1.00 11.35 H new ATOM 0 HA GLU A 94 -5.261 -9.153 -8.967 1.00 52.01 H new ATOM 0 HB2 GLU A 94 -4.474 -6.656 -10.523 1.00 13.31 H new ATOM 0 HB3 GLU A 94 -3.409 -8.035 -10.342 1.00 13.31 H new ATOM 0 HG2 GLU A 94 -5.035 -9.490 -11.469 1.00 0.41 H new ATOM 0 HG3 GLU A 94 -6.189 -8.175 -11.565 1.00 0.41 H new ATOM 1489 N THR A 95 -3.705 -8.639 -7.146 1.00 0.33 N ATOM 1490 CA THR A 95 -2.846 -8.398 -5.983 1.00 62.03 C ATOM 1491 C THR A 95 -1.384 -8.788 -6.256 1.00 24.55 C ATOM 1492 O THR A 95 -1.054 -9.327 -7.314 1.00 23.12 O ATOM 1493 CB THR A 95 -3.353 -9.170 -4.736 1.00 70.44 C ATOM 1494 OG1 THR A 95 -3.492 -10.570 -5.037 1.00 75.33 O ATOM 1495 CG2 THR A 95 -4.693 -8.616 -4.253 1.00 22.41 C ATOM 0 H THR A 95 -3.869 -9.626 -7.344 1.00 0.33 H new ATOM 0 HA THR A 95 -2.891 -7.327 -5.787 1.00 62.03 H new ATOM 0 HB THR A 95 -2.617 -9.041 -3.943 1.00 70.44 H new ATOM 0 HG1 THR A 95 -3.811 -11.046 -4.242 1.00 75.33 H new ATOM 0 HG21 THR A 95 -5.024 -9.176 -3.378 1.00 22.41 H new ATOM 0 HG22 THR A 95 -4.578 -7.565 -3.989 1.00 22.41 H new ATOM 0 HG23 THR A 95 -5.434 -8.712 -5.047 1.00 22.41 H new ATOM 1503 N PHE A 96 -0.517 -8.503 -5.287 1.00 34.04 N ATOM 1504 CA PHE A 96 0.924 -8.774 -5.398 1.00 52.34 C ATOM 1505 C PHE A 96 1.419 -9.614 -4.212 1.00 60.12 C ATOM 1506 O PHE A 96 0.690 -9.829 -3.246 1.00 34.34 O ATOM 1507 CB PHE A 96 1.693 -7.444 -5.453 1.00 61.01 C ATOM 1508 CG PHE A 96 1.424 -6.524 -4.279 1.00 54.24 C ATOM 1509 CD1 PHE A 96 0.391 -5.594 -4.329 1.00 24.42 C ATOM 1510 CD2 PHE A 96 2.207 -6.582 -3.132 1.00 24.54 C ATOM 1511 CE1 PHE A 96 0.147 -4.747 -3.261 1.00 50.04 C ATOM 1512 CE2 PHE A 96 1.964 -5.739 -2.064 1.00 4.35 C ATOM 1513 CZ PHE A 96 0.933 -4.820 -2.128 1.00 1.51 C ATOM 0 H PHE A 96 -0.788 -8.078 -4.401 1.00 34.04 H new ATOM 0 HA PHE A 96 1.101 -9.340 -6.313 1.00 52.34 H new ATOM 0 HB2 PHE A 96 2.761 -7.656 -5.497 1.00 61.01 H new ATOM 0 HB3 PHE A 96 1.433 -6.924 -6.375 1.00 61.01 H new ATOM 0 HD1 PHE A 96 -0.228 -5.532 -5.212 1.00 24.42 H new ATOM 0 HD2 PHE A 96 3.016 -7.295 -3.075 1.00 24.54 H new ATOM 0 HE1 PHE A 96 -0.658 -4.029 -3.314 1.00 50.04 H new ATOM 0 HE2 PHE A 96 2.580 -5.798 -1.179 1.00 4.35 H new ATOM 0 HZ PHE A 96 0.743 -4.161 -1.294 1.00 1.51 H new ATOM 1523 N ASP A 97 2.660 -10.081 -4.286 1.00 54.02 N ATOM 1524 CA ASP A 97 3.268 -10.829 -3.183 1.00 2.14 C ATOM 1525 C ASP A 97 3.830 -9.881 -2.113 1.00 0.15 C ATOM 1526 O ASP A 97 4.453 -8.864 -2.434 1.00 3.03 O ATOM 1527 CB ASP A 97 4.397 -11.717 -3.707 1.00 24.11 C ATOM 1528 CG ASP A 97 3.950 -12.623 -4.835 1.00 61.32 C ATOM 1529 OD1 ASP A 97 3.847 -12.144 -5.984 1.00 23.32 O ATOM 1530 OD2 ASP A 97 3.714 -13.823 -4.582 1.00 43.05 O ATOM 0 H ASP A 97 3.267 -9.957 -5.096 1.00 54.02 H new ATOM 0 HA ASP A 97 2.490 -11.446 -2.733 1.00 2.14 H new ATOM 0 HB2 ASP A 97 5.217 -11.089 -4.054 1.00 24.11 H new ATOM 0 HB3 ASP A 97 4.785 -12.325 -2.890 1.00 24.11 H new ATOM 1535 N ALA A 98 3.629 -10.225 -0.841 1.00 32.21 N ATOM 1536 CA ALA A 98 4.188 -9.442 0.268 1.00 32.11 C ATOM 1537 C ALA A 98 5.725 -9.385 0.197 1.00 42.01 C ATOM 1538 O ALA A 98 6.347 -8.419 0.642 1.00 75.24 O ATOM 1539 CB ALA A 98 3.733 -10.024 1.603 1.00 65.25 C ATOM 0 H ALA A 98 3.085 -11.038 -0.550 1.00 32.21 H new ATOM 0 HA ALA A 98 3.817 -8.421 0.183 1.00 32.11 H new ATOM 0 HB1 ALA A 98 4.153 -9.436 2.419 1.00 65.25 H new ATOM 0 HB2 ALA A 98 2.645 -9.997 1.660 1.00 65.25 H new ATOM 0 HB3 ALA A 98 4.075 -11.056 1.686 1.00 65.25 H new ATOM 1545 N ASN A 99 6.325 -10.421 -0.385 1.00 22.42 N ATOM 1546 CA ASN A 99 7.782 -10.506 -0.526 1.00 74.52 C ATOM 1547 C ASN A 99 8.333 -9.433 -1.483 1.00 52.31 C ATOM 1548 O ASN A 99 9.309 -8.757 -1.164 1.00 44.52 O ATOM 1549 CB ASN A 99 8.174 -11.898 -1.022 1.00 11.44 C ATOM 1550 CG ASN A 99 7.750 -12.986 -0.054 1.00 22.34 C ATOM 1551 OD1 ASN A 99 6.622 -13.466 -0.095 1.00 74.33 O ATOM 1552 ND2 ASN A 99 8.646 -13.387 0.824 1.00 45.12 N ATOM 0 H ASN A 99 5.822 -11.221 -0.770 1.00 22.42 H new ATOM 0 HA ASN A 99 8.220 -10.326 0.456 1.00 74.52 H new ATOM 0 HB2 ASN A 99 7.716 -12.079 -1.994 1.00 11.44 H new ATOM 0 HB3 ASN A 99 9.254 -11.941 -1.166 1.00 11.44 H new ATOM 0 HD21 ASN A 99 8.410 -14.117 1.496 1.00 45.12 H new ATOM 0 HD22 ASN A 99 9.576 -12.967 0.832 1.00 45.12 H new ATOM 1559 N ASP A 100 7.704 -9.282 -2.648 1.00 71.35 N ATOM 1560 CA ASP A 100 8.148 -8.300 -3.649 1.00 11.42 C ATOM 1561 C ASP A 100 8.201 -6.875 -3.078 1.00 13.25 C ATOM 1562 O ASP A 100 9.147 -6.132 -3.338 1.00 50.24 O ATOM 1563 CB ASP A 100 7.237 -8.343 -4.875 1.00 12.34 C ATOM 1564 CG ASP A 100 7.466 -9.593 -5.699 1.00 30.14 C ATOM 1565 OD1 ASP A 100 8.386 -9.588 -6.535 1.00 21.33 O ATOM 1566 OD2 ASP A 100 6.733 -10.582 -5.517 1.00 25.43 O ATOM 0 H ASP A 100 6.886 -9.824 -2.926 1.00 71.35 H new ATOM 0 HA ASP A 100 9.162 -8.572 -3.942 1.00 11.42 H new ATOM 0 HB2 ASP A 100 6.195 -8.303 -4.556 1.00 12.34 H new ATOM 0 HB3 ASP A 100 7.415 -7.462 -5.492 1.00 12.34 H new ATOM 1571 N LEU A 101 7.192 -6.500 -2.300 1.00 12.55 N ATOM 1572 CA LEU A 101 7.143 -5.164 -1.695 1.00 44.34 C ATOM 1573 C LEU A 101 8.119 -5.037 -0.513 1.00 72.54 C ATOM 1574 O LEU A 101 8.924 -4.104 -0.456 1.00 23.33 O ATOM 1575 CB LEU A 101 5.715 -4.849 -1.232 1.00 50.34 C ATOM 1576 CG LEU A 101 5.519 -3.473 -0.573 1.00 11.30 C ATOM 1577 CD1 LEU A 101 5.946 -2.349 -1.518 1.00 73.23 C ATOM 1578 CD2 LEU A 101 4.065 -3.294 -0.143 1.00 52.21 C ATOM 0 H LEU A 101 6.397 -7.096 -2.071 1.00 12.55 H new ATOM 0 HA LEU A 101 7.447 -4.445 -2.455 1.00 44.34 H new ATOM 0 HB2 LEU A 101 5.050 -4.918 -2.093 1.00 50.34 H new ATOM 0 HB3 LEU A 101 5.403 -5.618 -0.525 1.00 50.34 H new ATOM 0 HG LEU A 101 6.152 -3.424 0.313 1.00 11.30 H new ATOM 0 HD11 LEU A 101 5.798 -1.386 -1.029 1.00 73.23 H new ATOM 0 HD12 LEU A 101 6.999 -2.468 -1.773 1.00 73.23 H new ATOM 0 HD13 LEU A 101 5.346 -2.390 -2.427 1.00 73.23 H new ATOM 0 HD21 LEU A 101 3.941 -2.316 0.322 1.00 52.21 H new ATOM 0 HD22 LEU A 101 3.416 -3.366 -1.016 1.00 52.21 H new ATOM 0 HD23 LEU A 101 3.799 -4.072 0.572 1.00 52.21 H new ATOM 1590 N TYR A 102 8.052 -5.986 0.422 1.00 62.53 N ATOM 1591 CA TYR A 102 8.880 -5.937 1.635 1.00 51.33 C ATOM 1592 C TYR A 102 10.383 -6.041 1.318 1.00 34.21 C ATOM 1593 O TYR A 102 11.211 -5.404 1.972 1.00 24.01 O ATOM 1594 CB TYR A 102 8.478 -7.059 2.600 1.00 2.52 C ATOM 1595 CG TYR A 102 9.145 -6.951 3.962 1.00 13.23 C ATOM 1596 CD1 TYR A 102 8.991 -5.808 4.738 1.00 65.24 C ATOM 1597 CD2 TYR A 102 9.930 -7.983 4.468 1.00 25.22 C ATOM 1598 CE1 TYR A 102 9.592 -5.697 5.975 1.00 53.14 C ATOM 1599 CE2 TYR A 102 10.535 -7.878 5.708 1.00 33.10 C ATOM 1600 CZ TYR A 102 10.364 -6.732 6.454 1.00 23.04 C ATOM 1601 OH TYR A 102 10.957 -6.621 7.693 1.00 21.23 O ATOM 0 H TYR A 102 7.436 -6.797 0.366 1.00 62.53 H new ATOM 0 HA TYR A 102 8.705 -4.968 2.103 1.00 51.33 H new ATOM 0 HB2 TYR A 102 7.396 -7.045 2.731 1.00 2.52 H new ATOM 0 HB3 TYR A 102 8.733 -8.020 2.154 1.00 2.52 H new ATOM 0 HD1 TYR A 102 8.390 -4.992 4.366 1.00 65.24 H new ATOM 0 HD2 TYR A 102 10.069 -8.880 3.883 1.00 25.22 H new ATOM 0 HE1 TYR A 102 9.458 -4.802 6.565 1.00 53.14 H new ATOM 0 HE2 TYR A 102 11.138 -8.689 6.089 1.00 33.10 H new ATOM 0 HH TYR A 102 10.290 -6.330 8.350 1.00 21.23 H new ATOM 1611 N GLN A 103 10.730 -6.863 0.330 1.00 61.25 N ATOM 1612 CA GLN A 103 12.133 -7.047 -0.078 1.00 13.12 C ATOM 1613 C GLN A 103 12.520 -6.098 -1.228 1.00 13.00 C ATOM 1614 O GLN A 103 13.703 -5.906 -1.514 1.00 2.31 O ATOM 1615 CB GLN A 103 12.376 -8.505 -0.505 1.00 4.22 C ATOM 1616 CG GLN A 103 12.065 -9.538 0.577 1.00 54.50 C ATOM 1617 CD GLN A 103 12.960 -9.407 1.799 1.00 52.24 C ATOM 1618 OE1 GLN A 103 14.033 -10.001 1.866 1.00 52.34 O ATOM 1619 NE2 GLN A 103 12.534 -8.633 2.777 1.00 72.02 N ATOM 0 H GLN A 103 10.062 -7.416 -0.207 1.00 61.25 H new ATOM 0 HA GLN A 103 12.759 -6.809 0.782 1.00 13.12 H new ATOM 0 HB2 GLN A 103 11.766 -8.721 -1.382 1.00 4.22 H new ATOM 0 HB3 GLN A 103 13.418 -8.614 -0.806 1.00 4.22 H new ATOM 0 HG2 GLN A 103 11.024 -9.433 0.883 1.00 54.50 H new ATOM 0 HG3 GLN A 103 12.175 -10.538 0.159 1.00 54.50 H new ATOM 0 HE21 GLN A 103 11.638 -8.152 2.693 1.00 72.02 H new ATOM 0 HE22 GLN A 103 13.100 -8.515 3.617 1.00 72.02 H new ATOM 1628 N GLY A 104 11.518 -5.516 -1.887 1.00 50.35 N ATOM 1629 CA GLY A 104 11.770 -4.605 -3.001 1.00 53.53 C ATOM 1630 C GLY A 104 12.217 -5.317 -4.278 1.00 31.21 C ATOM 1631 O GLY A 104 13.120 -4.848 -4.974 1.00 22.41 O ATOM 0 H GLY A 104 10.532 -5.658 -1.670 1.00 50.35 H new ATOM 0 HA2 GLY A 104 10.863 -4.037 -3.209 1.00 53.53 H new ATOM 0 HA3 GLY A 104 12.535 -3.887 -2.707 1.00 53.53 H new ATOM 1635 N GLN A 105 11.582 -6.448 -4.592 1.00 51.43 N ATOM 1636 CA GLN A 105 11.933 -7.235 -5.783 1.00 64.22 C ATOM 1637 C GLN A 105 11.240 -6.686 -7.039 1.00 72.01 C ATOM 1638 O GLN A 105 11.862 -6.000 -7.854 1.00 54.23 O ATOM 1639 CB GLN A 105 11.568 -8.715 -5.577 1.00 12.41 C ATOM 1640 CG GLN A 105 12.241 -9.360 -4.367 1.00 55.13 C ATOM 1641 CD GLN A 105 13.758 -9.326 -4.443 1.00 60.12 C ATOM 1642 OE1 GLN A 105 14.397 -8.388 -3.979 1.00 10.34 O ATOM 1643 NE2 GLN A 105 14.346 -10.343 -5.036 1.00 61.41 N ATOM 0 H GLN A 105 10.821 -6.842 -4.039 1.00 51.43 H new ATOM 0 HA GLN A 105 13.010 -7.154 -5.930 1.00 64.22 H new ATOM 0 HB2 GLN A 105 10.487 -8.800 -5.466 1.00 12.41 H new ATOM 0 HB3 GLN A 105 11.841 -9.274 -6.472 1.00 12.41 H new ATOM 0 HG2 GLN A 105 11.917 -8.847 -3.462 1.00 55.13 H new ATOM 0 HG3 GLN A 105 11.910 -10.395 -4.283 1.00 55.13 H new ATOM 0 HE21 GLN A 105 13.785 -11.108 -5.412 1.00 61.41 H new ATOM 0 HE22 GLN A 105 15.362 -10.366 -5.120 1.00 61.41 H new ATOM 1652 N ASN A 106 9.954 -6.993 -7.198 1.00 62.23 N ATOM 1653 CA ASN A 106 9.171 -6.494 -8.337 1.00 45.11 C ATOM 1654 C ASN A 106 8.113 -5.475 -7.885 1.00 72.15 C ATOM 1655 O ASN A 106 7.026 -5.844 -7.438 1.00 11.22 O ATOM 1656 CB ASN A 106 8.506 -7.665 -9.070 1.00 40.02 C ATOM 1657 CG ASN A 106 9.528 -8.612 -9.677 1.00 33.23 C ATOM 1658 OD1 ASN A 106 9.960 -8.437 -10.811 1.00 71.22 O ATOM 1659 ND2 ASN A 106 9.915 -9.631 -8.937 1.00 43.15 N ATOM 0 H ASN A 106 9.428 -7.585 -6.555 1.00 62.23 H new ATOM 0 HA ASN A 106 9.852 -5.985 -9.020 1.00 45.11 H new ATOM 0 HB2 ASN A 106 7.871 -8.214 -8.375 1.00 40.02 H new ATOM 0 HB3 ASN A 106 7.858 -7.279 -9.857 1.00 40.02 H new ATOM 0 HD21 ASN A 106 10.592 -10.300 -9.304 1.00 43.15 H new ATOM 0 HD22 ASN A 106 9.538 -9.751 -7.997 1.00 43.15 H new ATOM 1666 N PHE A 107 8.440 -4.186 -8.001 1.00 73.22 N ATOM 1667 CA PHE A 107 7.525 -3.118 -7.582 1.00 52.12 C ATOM 1668 C PHE A 107 6.370 -2.946 -8.584 1.00 62.41 C ATOM 1669 O PHE A 107 5.283 -2.496 -8.217 1.00 24.31 O ATOM 1670 CB PHE A 107 8.287 -1.793 -7.415 1.00 51.30 C ATOM 1671 CG PHE A 107 7.419 -0.651 -6.933 1.00 51.32 C ATOM 1672 CD1 PHE A 107 7.005 -0.589 -5.609 1.00 65.23 C ATOM 1673 CD2 PHE A 107 7.014 0.354 -7.803 1.00 53.34 C ATOM 1674 CE1 PHE A 107 6.204 0.448 -5.166 1.00 74.22 C ATOM 1675 CE2 PHE A 107 6.215 1.392 -7.362 1.00 34.51 C ATOM 1676 CZ PHE A 107 5.810 1.438 -6.043 1.00 62.44 C ATOM 0 H PHE A 107 9.328 -3.856 -8.380 1.00 73.22 H new ATOM 0 HA PHE A 107 7.097 -3.403 -6.621 1.00 52.12 H new ATOM 0 HB2 PHE A 107 9.104 -1.940 -6.709 1.00 51.30 H new ATOM 0 HB3 PHE A 107 8.736 -1.519 -8.370 1.00 51.30 H new ATOM 0 HD1 PHE A 107 7.312 -1.359 -4.917 1.00 65.23 H new ATOM 0 HD2 PHE A 107 7.327 0.324 -8.836 1.00 53.34 H new ATOM 0 HE1 PHE A 107 5.887 0.483 -4.134 1.00 74.22 H new ATOM 0 HE2 PHE A 107 5.908 2.167 -8.049 1.00 34.51 H new ATOM 0 HZ PHE A 107 5.185 2.248 -5.698 1.00 62.44 H new ATOM 1686 N ASN A 108 6.613 -3.316 -9.843 1.00 64.04 N ATOM 1687 CA ASN A 108 5.589 -3.249 -10.895 1.00 61.20 C ATOM 1688 C ASN A 108 4.273 -3.918 -10.457 1.00 64.42 C ATOM 1689 O ASN A 108 3.185 -3.449 -10.803 1.00 73.32 O ATOM 1690 CB ASN A 108 6.118 -3.883 -12.195 1.00 12.11 C ATOM 1691 CG ASN A 108 6.721 -5.266 -11.991 1.00 20.04 C ATOM 1692 OD1 ASN A 108 6.300 -6.032 -11.133 1.00 72.44 O ATOM 1693 ND2 ASN A 108 7.723 -5.599 -12.777 1.00 24.22 N ATOM 0 H ASN A 108 7.515 -3.668 -10.163 1.00 64.04 H new ATOM 0 HA ASN A 108 5.370 -2.197 -11.079 1.00 61.20 H new ATOM 0 HB2 ASN A 108 5.302 -3.953 -12.915 1.00 12.11 H new ATOM 0 HB3 ASN A 108 6.872 -3.227 -12.630 1.00 12.11 H new ATOM 0 HD21 ASN A 108 8.167 -6.512 -12.679 1.00 24.22 H new ATOM 0 HD22 ASN A 108 8.056 -4.944 -13.484 1.00 24.22 H new ATOM 1700 N LYS A 109 4.387 -5.006 -9.692 1.00 61.05 N ATOM 1701 CA LYS A 109 3.225 -5.662 -9.083 1.00 61.32 C ATOM 1702 C LYS A 109 2.457 -4.689 -8.174 1.00 41.20 C ATOM 1703 O LYS A 109 1.271 -4.416 -8.382 1.00 2.44 O ATOM 1704 CB LYS A 109 3.675 -6.861 -8.239 1.00 23.13 C ATOM 1705 CG LYS A 109 4.332 -7.996 -9.012 1.00 42.44 C ATOM 1706 CD LYS A 109 4.749 -9.119 -8.061 1.00 52.34 C ATOM 1707 CE LYS A 109 5.145 -10.391 -8.798 1.00 12.12 C ATOM 1708 NZ LYS A 109 5.762 -11.391 -7.882 1.00 31.42 N ATOM 0 H LYS A 109 5.278 -5.455 -9.478 1.00 61.05 H new ATOM 0 HA LYS A 109 2.573 -5.994 -9.891 1.00 61.32 H new ATOM 0 HB2 LYS A 109 4.375 -6.508 -7.481 1.00 23.13 H new ATOM 0 HB3 LYS A 109 2.808 -7.258 -7.712 1.00 23.13 H new ATOM 0 HG2 LYS A 109 3.640 -8.383 -9.760 1.00 42.44 H new ATOM 0 HG3 LYS A 109 5.204 -7.622 -9.548 1.00 42.44 H new ATOM 0 HD2 LYS A 109 5.586 -8.781 -7.450 1.00 52.34 H new ATOM 0 HD3 LYS A 109 3.926 -9.339 -7.380 1.00 52.34 H new ATOM 0 HE2 LYS A 109 4.265 -10.826 -9.271 1.00 12.12 H new ATOM 0 HE3 LYS A 109 5.847 -10.146 -9.595 1.00 12.12 H new ATOM 0 HZ1 LYS A 109 6.314 -12.076 -8.437 1.00 31.42 H new ATOM 0 HZ2 LYS A 109 6.389 -10.905 -7.209 1.00 31.42 H new ATOM 0 HZ3 LYS A 109 5.014 -11.891 -7.360 1.00 31.42 H new ATOM 1722 N VAL A 110 3.158 -4.175 -7.163 1.00 44.54 N ATOM 1723 CA VAL A 110 2.567 -3.271 -6.172 1.00 52.13 C ATOM 1724 C VAL A 110 1.931 -2.053 -6.845 1.00 22.23 C ATOM 1725 O VAL A 110 0.764 -1.740 -6.616 1.00 73.33 O ATOM 1726 CB VAL A 110 3.630 -2.786 -5.152 1.00 21.23 C ATOM 1727 CG1 VAL A 110 2.986 -1.967 -4.032 1.00 53.11 C ATOM 1728 CG2 VAL A 110 4.414 -3.971 -4.586 1.00 34.43 C ATOM 0 H VAL A 110 4.147 -4.371 -7.007 1.00 44.54 H new ATOM 0 HA VAL A 110 1.796 -3.835 -5.647 1.00 52.13 H new ATOM 0 HB VAL A 110 4.330 -2.135 -5.676 1.00 21.23 H new ATOM 0 HG11 VAL A 110 3.755 -1.640 -3.332 1.00 53.11 H new ATOM 0 HG12 VAL A 110 2.489 -1.095 -4.458 1.00 53.11 H new ATOM 0 HG13 VAL A 110 2.254 -2.581 -3.507 1.00 53.11 H new ATOM 0 HG21 VAL A 110 5.155 -3.610 -3.873 1.00 34.43 H new ATOM 0 HG22 VAL A 110 3.729 -4.654 -4.084 1.00 34.43 H new ATOM 0 HG23 VAL A 110 4.918 -4.495 -5.398 1.00 34.43 H new ATOM 1738 N LEU A 111 2.707 -1.387 -7.693 1.00 11.42 N ATOM 1739 CA LEU A 111 2.250 -0.186 -8.391 1.00 63.32 C ATOM 1740 C LEU A 111 0.990 -0.467 -9.231 1.00 11.32 C ATOM 1741 O LEU A 111 0.032 0.306 -9.205 1.00 22.14 O ATOM 1742 CB LEU A 111 3.378 0.359 -9.277 1.00 12.55 C ATOM 1743 CG LEU A 111 3.117 1.735 -9.906 1.00 23.54 C ATOM 1744 CD1 LEU A 111 2.795 2.768 -8.827 1.00 2.31 C ATOM 1745 CD2 LEU A 111 4.317 2.178 -10.741 1.00 51.35 C ATOM 0 H LEU A 111 3.664 -1.660 -7.916 1.00 11.42 H new ATOM 0 HA LEU A 111 1.985 0.563 -7.645 1.00 63.32 H new ATOM 0 HB2 LEU A 111 4.289 0.418 -8.681 1.00 12.55 H new ATOM 0 HB3 LEU A 111 3.567 -0.357 -10.077 1.00 12.55 H new ATOM 0 HG LEU A 111 2.253 1.654 -10.566 1.00 23.54 H new ATOM 0 HD11 LEU A 111 2.613 3.736 -9.293 1.00 2.31 H new ATOM 0 HD12 LEU A 111 1.906 2.456 -8.279 1.00 2.31 H new ATOM 0 HD13 LEU A 111 3.636 2.849 -8.138 1.00 2.31 H new ATOM 0 HD21 LEU A 111 4.114 3.155 -11.179 1.00 51.35 H new ATOM 0 HD22 LEU A 111 5.200 2.242 -10.105 1.00 51.35 H new ATOM 0 HD23 LEU A 111 4.494 1.454 -11.536 1.00 51.35 H new ATOM 1757 N SER A 112 0.993 -1.588 -9.955 1.00 50.32 N ATOM 1758 CA SER A 112 -0.160 -1.977 -10.786 1.00 63.32 C ATOM 1759 C SER A 112 -1.417 -2.188 -9.931 1.00 70.13 C ATOM 1760 O SER A 112 -2.520 -1.773 -10.305 1.00 21.24 O ATOM 1761 CB SER A 112 0.144 -3.261 -11.572 1.00 34.33 C ATOM 1762 OG SER A 112 -0.951 -3.633 -12.400 1.00 55.32 O ATOM 0 H SER A 112 1.774 -2.243 -9.986 1.00 50.32 H new ATOM 0 HA SER A 112 -0.345 -1.162 -11.486 1.00 63.32 H new ATOM 0 HB2 SER A 112 1.032 -3.112 -12.186 1.00 34.33 H new ATOM 0 HB3 SER A 112 0.368 -4.070 -10.877 1.00 34.33 H new ATOM 0 HG SER A 112 -0.728 -4.452 -12.889 1.00 55.32 H new ATOM 1768 N SER A 113 -1.243 -2.837 -8.781 1.00 41.22 N ATOM 1769 CA SER A 113 -2.350 -3.074 -7.843 1.00 41.23 C ATOM 1770 C SER A 113 -2.870 -1.751 -7.254 1.00 63.21 C ATOM 1771 O SER A 113 -4.078 -1.543 -7.148 1.00 75.42 O ATOM 1772 CB SER A 113 -1.904 -4.012 -6.712 1.00 43.31 C ATOM 1773 OG SER A 113 -2.991 -4.359 -5.867 1.00 22.23 O ATOM 0 H SER A 113 -0.346 -3.211 -8.472 1.00 41.22 H new ATOM 0 HA SER A 113 -3.162 -3.546 -8.397 1.00 41.23 H new ATOM 0 HB2 SER A 113 -1.469 -4.916 -7.138 1.00 43.31 H new ATOM 0 HB3 SER A 113 -1.124 -3.529 -6.124 1.00 43.31 H new ATOM 0 HG SER A 113 -3.504 -5.086 -6.277 1.00 22.23 H new ATOM 1779 N LEU A 114 -1.947 -0.857 -6.890 1.00 53.01 N ATOM 1780 CA LEU A 114 -2.304 0.470 -6.362 1.00 15.35 C ATOM 1781 C LEU A 114 -3.123 1.282 -7.381 1.00 41.15 C ATOM 1782 O LEU A 114 -4.157 1.862 -7.044 1.00 52.44 O ATOM 1783 CB LEU A 114 -1.035 1.245 -5.975 1.00 54.42 C ATOM 1784 CG LEU A 114 -0.205 0.627 -4.837 1.00 52.53 C ATOM 1785 CD1 LEU A 114 1.080 1.419 -4.620 1.00 52.35 C ATOM 1786 CD2 LEU A 114 -1.024 0.556 -3.547 1.00 21.53 C ATOM 0 H LEU A 114 -0.943 -1.025 -6.950 1.00 53.01 H new ATOM 0 HA LEU A 114 -2.922 0.320 -5.477 1.00 15.35 H new ATOM 0 HB2 LEU A 114 -0.401 1.334 -6.857 1.00 54.42 H new ATOM 0 HB3 LEU A 114 -1.321 2.256 -5.685 1.00 54.42 H new ATOM 0 HG LEU A 114 0.065 -0.390 -5.123 1.00 52.53 H new ATOM 0 HD11 LEU A 114 1.654 0.967 -3.811 1.00 52.35 H new ATOM 0 HD12 LEU A 114 1.672 1.409 -5.535 1.00 52.35 H new ATOM 0 HD13 LEU A 114 0.833 2.448 -4.359 1.00 52.35 H new ATOM 0 HD21 LEU A 114 -0.418 0.116 -2.755 1.00 21.53 H new ATOM 0 HD22 LEU A 114 -1.330 1.561 -3.254 1.00 21.53 H new ATOM 0 HD23 LEU A 114 -1.909 -0.059 -3.711 1.00 21.53 H new ATOM 1798 N VAL A 115 -2.654 1.317 -8.630 1.00 32.31 N ATOM 1799 CA VAL A 115 -3.366 2.016 -9.707 1.00 55.50 C ATOM 1800 C VAL A 115 -4.790 1.462 -9.881 1.00 2.32 C ATOM 1801 O VAL A 115 -5.756 2.220 -9.945 1.00 12.51 O ATOM 1802 CB VAL A 115 -2.594 1.920 -11.051 1.00 51.53 C ATOM 1803 CG1 VAL A 115 -3.379 2.579 -12.186 1.00 51.41 C ATOM 1804 CG2 VAL A 115 -1.213 2.561 -10.915 1.00 63.41 C ATOM 0 H VAL A 115 -1.785 0.870 -8.923 1.00 32.31 H new ATOM 0 HA VAL A 115 -3.432 3.066 -9.421 1.00 55.50 H new ATOM 0 HB VAL A 115 -2.470 0.865 -11.296 1.00 51.53 H new ATOM 0 HG11 VAL A 115 -2.814 2.497 -13.115 1.00 51.41 H new ATOM 0 HG12 VAL A 115 -4.341 2.080 -12.301 1.00 51.41 H new ATOM 0 HG13 VAL A 115 -3.542 3.631 -11.953 1.00 51.41 H new ATOM 0 HG21 VAL A 115 -0.682 2.487 -11.864 1.00 63.41 H new ATOM 0 HG22 VAL A 115 -1.324 3.611 -10.642 1.00 63.41 H new ATOM 0 HG23 VAL A 115 -0.646 2.043 -10.141 1.00 63.41 H new ATOM 1814 N THR A 116 -4.916 0.137 -9.940 1.00 23.33 N ATOM 1815 CA THR A 116 -6.236 -0.510 -10.013 1.00 44.41 C ATOM 1816 C THR A 116 -7.086 -0.174 -8.777 1.00 13.11 C ATOM 1817 O THR A 116 -8.284 0.082 -8.885 1.00 74.42 O ATOM 1818 CB THR A 116 -6.114 -2.049 -10.134 1.00 63.41 C ATOM 1819 OG1 THR A 116 -5.360 -2.389 -11.311 1.00 72.22 O ATOM 1820 CG2 THR A 116 -7.494 -2.711 -10.198 1.00 21.44 C ATOM 0 H THR A 116 -4.128 -0.511 -9.939 1.00 23.33 H new ATOM 0 HA THR A 116 -6.724 -0.123 -10.908 1.00 44.41 H new ATOM 0 HB THR A 116 -5.598 -2.418 -9.248 1.00 63.41 H new ATOM 0 HG1 THR A 116 -4.406 -2.240 -11.143 1.00 72.22 H new ATOM 0 HG21 THR A 116 -7.376 -3.791 -10.283 1.00 21.44 H new ATOM 0 HG22 THR A 116 -8.052 -2.477 -9.291 1.00 21.44 H new ATOM 0 HG23 THR A 116 -8.037 -2.336 -11.065 1.00 21.44 H new ATOM 1828 N LEU A 117 -6.449 -0.168 -7.607 1.00 31.20 N ATOM 1829 CA LEU A 117 -7.120 0.187 -6.351 1.00 23.42 C ATOM 1830 C LEU A 117 -7.663 1.628 -6.401 1.00 44.02 C ATOM 1831 O LEU A 117 -8.713 1.937 -5.827 1.00 43.41 O ATOM 1832 CB LEU A 117 -6.144 0.018 -5.179 1.00 75.40 C ATOM 1833 CG LEU A 117 -6.737 0.250 -3.781 1.00 64.20 C ATOM 1834 CD1 LEU A 117 -7.859 -0.741 -3.492 1.00 72.33 C ATOM 1835 CD2 LEU A 117 -5.649 0.158 -2.715 1.00 55.11 C ATOM 0 H LEU A 117 -5.463 -0.406 -7.500 1.00 31.20 H new ATOM 0 HA LEU A 117 -7.969 -0.481 -6.208 1.00 23.42 H new ATOM 0 HB2 LEU A 117 -5.731 -0.990 -5.216 1.00 75.40 H new ATOM 0 HB3 LEU A 117 -5.312 0.708 -5.320 1.00 75.40 H new ATOM 0 HG LEU A 117 -7.160 1.254 -3.755 1.00 64.20 H new ATOM 0 HD11 LEU A 117 -8.261 -0.555 -2.496 1.00 72.33 H new ATOM 0 HD12 LEU A 117 -8.651 -0.620 -4.232 1.00 72.33 H new ATOM 0 HD13 LEU A 117 -7.468 -1.757 -3.541 1.00 72.33 H new ATOM 0 HD21 LEU A 117 -6.088 0.325 -1.731 1.00 55.11 H new ATOM 0 HD22 LEU A 117 -5.193 -0.831 -2.745 1.00 55.11 H new ATOM 0 HD23 LEU A 117 -4.888 0.915 -2.906 1.00 55.11 H new ATOM 1847 N ASN A 118 -6.939 2.503 -7.095 1.00 12.13 N ATOM 1848 CA ASN A 118 -7.398 3.875 -7.334 1.00 34.31 C ATOM 1849 C ASN A 118 -8.552 3.900 -8.350 1.00 62.54 C ATOM 1850 O ASN A 118 -9.503 4.659 -8.199 1.00 21.44 O ATOM 1851 CB ASN A 118 -6.228 4.746 -7.824 1.00 51.12 C ATOM 1852 CG ASN A 118 -6.655 6.162 -8.184 1.00 13.10 C ATOM 1853 OD1 ASN A 118 -6.972 6.455 -9.331 1.00 2.20 O ATOM 1854 ND2 ASN A 118 -6.671 7.050 -7.208 1.00 74.11 N ATOM 0 H ASN A 118 -6.029 2.288 -7.504 1.00 12.13 H new ATOM 0 HA ASN A 118 -7.770 4.282 -6.394 1.00 34.31 H new ATOM 0 HB2 ASN A 118 -5.463 4.788 -7.048 1.00 51.12 H new ATOM 0 HB3 ASN A 118 -5.772 4.277 -8.696 1.00 51.12 H new ATOM 0 HD21 ASN A 118 -6.953 8.012 -7.398 1.00 74.11 H new ATOM 0 HD22 ASN A 118 -6.401 6.775 -6.264 1.00 74.11 H new ATOM 1861 N LYS A 119 -8.470 3.045 -9.371 1.00 73.35 N ATOM 1862 CA LYS A 119 -9.497 2.983 -10.422 1.00 10.14 C ATOM 1863 C LYS A 119 -10.844 2.458 -9.887 1.00 71.24 C ATOM 1864 O LYS A 119 -11.898 3.031 -10.168 1.00 53.50 O ATOM 1865 CB LYS A 119 -9.014 2.110 -11.589 1.00 64.35 C ATOM 1866 CG LYS A 119 -7.771 2.660 -12.286 1.00 55.30 C ATOM 1867 CD LYS A 119 -7.322 1.779 -13.450 1.00 60.22 C ATOM 1868 CE LYS A 119 -8.376 1.711 -14.552 1.00 62.24 C ATOM 1869 NZ LYS A 119 -8.729 3.062 -15.063 1.00 71.13 N ATOM 0 H LYS A 119 -7.704 2.384 -9.496 1.00 73.35 H new ATOM 0 HA LYS A 119 -9.660 4.001 -10.776 1.00 10.14 H new ATOM 0 HB2 LYS A 119 -8.800 1.108 -11.218 1.00 64.35 H new ATOM 0 HB3 LYS A 119 -9.818 2.015 -12.319 1.00 64.35 H new ATOM 0 HG2 LYS A 119 -7.978 3.665 -12.653 1.00 55.30 H new ATOM 0 HG3 LYS A 119 -6.959 2.745 -11.563 1.00 55.30 H new ATOM 0 HD2 LYS A 119 -6.391 2.168 -13.862 1.00 60.22 H new ATOM 0 HD3 LYS A 119 -7.113 0.773 -13.085 1.00 60.22 H new ATOM 0 HE2 LYS A 119 -8.004 1.098 -15.373 1.00 62.24 H new ATOM 0 HE3 LYS A 119 -9.272 1.222 -14.169 1.00 62.24 H new ATOM 0 HZ1 LYS A 119 -9.272 2.969 -15.945 1.00 71.13 H new ATOM 0 HZ2 LYS A 119 -9.303 3.562 -14.355 1.00 71.13 H new ATOM 0 HZ3 LYS A 119 -7.859 3.602 -15.247 1.00 71.13 H new ATOM 1883 N VAL A 120 -10.807 1.367 -9.118 1.00 64.44 N ATOM 1884 CA VAL A 120 -12.033 0.788 -8.542 1.00 54.12 C ATOM 1885 C VAL A 120 -12.744 1.774 -7.597 1.00 24.42 C ATOM 1886 O VAL A 120 -13.971 1.793 -7.513 1.00 4.05 O ATOM 1887 CB VAL A 120 -11.745 -0.539 -7.787 1.00 24.21 C ATOM 1888 CG1 VAL A 120 -11.231 -1.608 -8.749 1.00 51.04 C ATOM 1889 CG2 VAL A 120 -10.752 -0.322 -6.647 1.00 15.45 C ATOM 0 H VAL A 120 -9.951 0.867 -8.879 1.00 64.44 H new ATOM 0 HA VAL A 120 -12.693 0.575 -9.383 1.00 54.12 H new ATOM 0 HB VAL A 120 -12.683 -0.886 -7.354 1.00 24.21 H new ATOM 0 HG11 VAL A 120 -11.036 -2.529 -8.199 1.00 51.04 H new ATOM 0 HG12 VAL A 120 -11.980 -1.796 -9.518 1.00 51.04 H new ATOM 0 HG13 VAL A 120 -10.309 -1.263 -9.218 1.00 51.04 H new ATOM 0 HG21 VAL A 120 -10.570 -1.268 -6.138 1.00 15.45 H new ATOM 0 HG22 VAL A 120 -9.814 0.059 -7.050 1.00 15.45 H new ATOM 0 HG23 VAL A 120 -11.162 0.398 -5.939 1.00 15.45 H new ATOM 1899 N THR A 121 -11.968 2.598 -6.895 1.00 14.25 N ATOM 1900 CA THR A 121 -12.531 3.615 -5.999 1.00 4.42 C ATOM 1901 C THR A 121 -12.898 4.896 -6.763 1.00 13.35 C ATOM 1902 O THR A 121 -13.843 5.598 -6.401 1.00 33.20 O ATOM 1903 CB THR A 121 -11.555 3.958 -4.851 1.00 71.51 C ATOM 1904 OG1 THR A 121 -10.297 4.398 -5.386 1.00 73.42 O ATOM 1905 CG2 THR A 121 -11.332 2.746 -3.949 1.00 53.25 C ATOM 0 H THR A 121 -10.949 2.584 -6.927 1.00 14.25 H new ATOM 0 HA THR A 121 -13.439 3.190 -5.572 1.00 4.42 H new ATOM 0 HB THR A 121 -11.996 4.759 -4.258 1.00 71.51 H new ATOM 0 HG1 THR A 121 -9.723 3.621 -5.553 1.00 73.42 H new ATOM 0 HG21 THR A 121 -10.642 3.011 -3.148 1.00 53.25 H new ATOM 0 HG22 THR A 121 -12.283 2.432 -3.519 1.00 53.25 H new ATOM 0 HG23 THR A 121 -10.912 1.929 -4.535 1.00 53.25 H new ATOM 1913 N ALA A 122 -12.154 5.191 -7.829 1.00 15.22 N ATOM 1914 CA ALA A 122 -12.480 6.313 -8.719 1.00 65.01 C ATOM 1915 C ALA A 122 -13.833 6.091 -9.410 1.00 71.04 C ATOM 1916 O ALA A 122 -14.551 7.044 -9.716 1.00 73.32 O ATOM 1917 CB ALA A 122 -11.382 6.509 -9.758 1.00 61.10 C ATOM 0 H ALA A 122 -11.320 4.670 -8.100 1.00 15.22 H new ATOM 0 HA ALA A 122 -12.551 7.215 -8.111 1.00 65.01 H new ATOM 0 HB1 ALA A 122 -11.641 7.345 -10.408 1.00 61.10 H new ATOM 0 HB2 ALA A 122 -10.438 6.720 -9.255 1.00 61.10 H new ATOM 0 HB3 ALA A 122 -11.280 5.603 -10.355 1.00 61.10 H new ATOM 1923 N ASP A 123 -14.163 4.824 -9.657 1.00 73.22 N ATOM 1924 CA ASP A 123 -15.480 4.442 -10.179 1.00 32.22 C ATOM 1925 C ASP A 123 -16.589 4.852 -9.193 1.00 1.22 C ATOM 1926 O ASP A 123 -17.668 5.303 -9.590 1.00 43.41 O ATOM 1927 CB ASP A 123 -15.512 2.927 -10.419 1.00 24.20 C ATOM 1928 CG ASP A 123 -16.836 2.447 -10.986 1.00 15.15 C ATOM 1929 OD1 ASP A 123 -17.083 2.662 -12.192 1.00 21.34 O ATOM 1930 OD2 ASP A 123 -17.636 1.850 -10.232 1.00 42.32 O ATOM 0 H ASP A 123 -13.533 4.037 -9.503 1.00 73.22 H new ATOM 0 HA ASP A 123 -15.656 4.960 -11.122 1.00 32.22 H new ATOM 0 HB2 ASP A 123 -14.709 2.656 -11.105 1.00 24.20 H new ATOM 0 HB3 ASP A 123 -15.317 2.411 -9.479 1.00 24.20 H new ATOM 1935 N ILE A 124 -16.304 4.689 -7.903 1.00 73.44 N ATOM 1936 CA ILE A 124 -17.223 5.100 -6.836 1.00 22.23 C ATOM 1937 C ILE A 124 -17.236 6.631 -6.680 1.00 51.22 C ATOM 1938 O ILE A 124 -18.259 7.223 -6.333 1.00 40.42 O ATOM 1939 CB ILE A 124 -16.824 4.455 -5.484 1.00 71.50 C ATOM 1940 CG1 ILE A 124 -16.719 2.927 -5.633 1.00 3.40 C ATOM 1941 CG2 ILE A 124 -17.824 4.823 -4.384 1.00 62.30 C ATOM 1942 CD1 ILE A 124 -16.247 2.217 -4.380 1.00 51.43 C ATOM 0 H ILE A 124 -15.436 4.272 -7.566 1.00 73.44 H new ATOM 0 HA ILE A 124 -18.220 4.760 -7.116 1.00 22.23 H new ATOM 0 HB ILE A 124 -15.848 4.845 -5.194 1.00 71.50 H new ATOM 0 HG12 ILE A 124 -17.694 2.532 -5.917 1.00 3.40 H new ATOM 0 HG13 ILE A 124 -16.033 2.698 -6.448 1.00 3.40 H new ATOM 0 HG21 ILE A 124 -17.521 4.358 -3.446 1.00 62.30 H new ATOM 0 HG22 ILE A 124 -17.847 5.906 -4.261 1.00 62.30 H new ATOM 0 HG23 ILE A 124 -18.817 4.468 -4.661 1.00 62.30 H new ATOM 0 HD11 ILE A 124 -16.199 1.144 -4.566 1.00 51.43 H new ATOM 0 HD12 ILE A 124 -15.257 2.582 -4.106 1.00 51.43 H new ATOM 0 HD13 ILE A 124 -16.945 2.413 -3.566 1.00 51.43 H new ATOM 1954 N GLY A 125 -16.088 7.258 -6.929 1.00 35.31 N ATOM 1955 CA GLY A 125 -15.974 8.709 -6.829 1.00 52.22 C ATOM 1956 C GLY A 125 -15.549 9.177 -5.439 1.00 11.44 C ATOM 1957 O GLY A 125 -16.389 9.360 -4.556 1.00 75.12 O ATOM 0 H GLY A 125 -15.226 6.784 -7.201 1.00 35.31 H new ATOM 0 HA2 GLY A 125 -15.250 9.063 -7.563 1.00 52.22 H new ATOM 0 HA3 GLY A 125 -16.933 9.162 -7.082 1.00 52.22 H new ATOM 1961 N LEU A 126 -14.243 9.366 -5.244 1.00 33.32 N ATOM 1962 CA LEU A 126 -13.696 9.814 -3.952 1.00 45.41 C ATOM 1963 C LEU A 126 -13.810 11.344 -3.780 1.00 21.32 C ATOM 1964 O LEU A 126 -13.000 12.082 -4.389 1.00 38.48 O ATOM 1965 CB LEU A 126 -12.229 9.373 -3.815 1.00 62.12 C ATOM 1966 CG LEU A 126 -11.986 7.854 -3.870 1.00 75.30 C ATOM 1967 CD1 LEU A 126 -10.500 7.540 -3.727 1.00 73.21 C ATOM 1968 CD2 LEU A 126 -12.800 7.135 -2.793 1.00 13.20 C ATOM 1969 OXT LEU A 126 -14.705 11.798 -3.031 1.00 38.48 O ATOM 0 H LEU A 126 -13.537 9.216 -5.965 1.00 33.32 H new ATOM 0 HA LEU A 126 -14.288 9.348 -3.164 1.00 45.41 H new ATOM 0 HB2 LEU A 126 -11.650 9.845 -4.609 1.00 62.12 H new ATOM 0 HB3 LEU A 126 -11.841 9.752 -2.869 1.00 62.12 H new ATOM 0 HG LEU A 126 -12.318 7.491 -4.843 1.00 75.30 H new ATOM 0 HD11 LEU A 126 -10.350 6.461 -3.769 1.00 73.21 H new ATOM 0 HD12 LEU A 126 -9.948 8.014 -4.539 1.00 73.21 H new ATOM 0 HD13 LEU A 126 -10.138 7.920 -2.772 1.00 73.21 H new ATOM 0 HD21 LEU A 126 -12.613 6.063 -2.851 1.00 13.20 H new ATOM 0 HD22 LEU A 126 -12.507 7.502 -1.810 1.00 13.20 H new ATOM 0 HD23 LEU A 126 -13.861 7.327 -2.950 1.00 13.20 H new TER 1981 LEU A 126