USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1046 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 4 SER OG : rot 180:sc= 0.424 USER MOD Set 1.2: A 105 THR OG1 : rot -86:sc= 0.44 USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0.337 USER MOD Set 2.2: A 80 SER OG : rot -79:sc= 0.334 USER MOD Set 3.1: A 41 SER OG : rot 61:sc= 1.03 USER MOD Set 3.2: A 53 HIS : no HD1:sc= 0.112 K(o=1.1,f=-2.3!) USER MOD Set 4.1: A 37 HIS : no HD1:sc= -0.0396 X(o=-0.062,f=0.31) USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= -0.0226 USER MOD Set 5.1: A 30 ASN : amide:sc= -0.0663 X(o=0.32,f=0.065) USER MOD Set 5.2: A 38 THR OG1 : rot 147:sc= 0.391 USER MOD Set 6.1: A 25 CYS SG : rot 42:sc= -0.88! USER MOD Set 6.2: A 131 TYR OH : rot 128:sc= 0.924 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.24 (180deg=0.959) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0.387 K(o=0.42,f=-3.1!) USER MOD Single : A 11 GLN : amide:sc= -2.62 K(o=-2.6,f=-2.1) USER MOD Single : A 21 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.0087) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0741 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 150:sc= -1.53 USER MOD Single : A 54 HIS : no HE2:sc= 0.21 K(o=0.21,f=-0.92) USER MOD Single : A 55 MET CE :methyl 169:sc= -1.1 (180deg=-1.57) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 69 THR OG1 : rot 130:sc= 0.702 USER MOD Single : A 77 THR OG1 : rot 120:sc= -0.0144 USER MOD Single : A 83 MET CE :methyl 164:sc= -0.0222 (180deg=-0.746) USER MOD Single : A 92 GLN : amide:sc= 0.0267 X(o=0.027,f=-0.35) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 87:sc= 0.954 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 68:sc= 0.693 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.11) USER MOD Single : A 117 GLN : amide:sc= -1.43 K(o=-1.4,f=-7!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 122 GLN : amide:sc= 0.0894 X(o=0.089,f=-0.23) USER MOD Single : A 127 ASN : amide:sc= -1.84! C(o=-1.8!,f=-1.9!) USER MOD Single : A 129 LYS NZ :NH3+ 146:sc= 1.32 (180deg=0.337) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 143 HIS : no HE2:sc= -0.0249 X(o=-0.025,f=-0.3) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.923 16.495 2.783 1.00 0.00 N ATOM 2 CA MET A 1 5.473 16.355 4.189 1.00 0.00 C ATOM 3 C MET A 1 5.074 14.897 4.451 1.00 0.00 C ATOM 4 O MET A 1 3.961 14.499 4.151 1.00 0.00 O ATOM 5 CB MET A 1 4.282 17.321 4.496 1.00 0.00 C ATOM 6 CG MET A 1 3.672 17.148 5.899 1.00 0.00 C ATOM 7 SD MET A 1 2.167 18.115 6.158 1.00 0.00 S ATOM 8 CE MET A 1 1.629 17.481 7.749 1.00 0.00 C ATOM 0 H1 MET A 1 6.485 17.365 2.683 1.00 0.00 H new ATOM 0 H2 MET A 1 6.506 15.674 2.522 1.00 0.00 H new ATOM 0 H3 MET A 1 5.094 16.544 2.157 1.00 0.00 H new ATOM 0 HA MET A 1 6.294 16.627 4.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.626 18.349 4.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.501 17.165 3.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.449 16.094 6.061 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.412 17.436 6.646 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.708 17.981 8.047 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.451 16.408 7.672 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.401 17.668 8.495 1.00 0.00 H new ATOM 20 N LYS A 2 5.979 14.120 5.047 1.00 0.00 N ATOM 21 CA LYS A 2 5.754 12.689 5.279 1.00 0.00 C ATOM 22 C LYS A 2 4.790 12.492 6.461 1.00 0.00 C ATOM 23 O LYS A 2 4.987 13.063 7.537 1.00 0.00 O ATOM 24 CB LYS A 2 7.097 11.939 5.519 1.00 0.00 C ATOM 25 CG LYS A 2 7.885 12.363 6.786 1.00 0.00 C ATOM 26 CD LYS A 2 9.170 11.535 7.005 1.00 0.00 C ATOM 27 CE LYS A 2 9.816 11.799 8.382 1.00 0.00 C ATOM 28 NZ LYS A 2 10.182 13.228 8.587 1.00 0.00 N ATOM 0 H LYS A 2 6.881 14.459 5.381 1.00 0.00 H new ATOM 0 HA LYS A 2 5.299 12.262 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.889 10.871 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.736 12.088 4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.149 13.418 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.240 12.260 7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.935 10.475 6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.888 11.770 6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.125 11.490 9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.709 11.183 8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.611 13.345 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.863 13.520 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.328 13.818 8.520 1.00 0.00 H new ATOM 42 N ILE A 3 3.704 11.756 6.223 1.00 0.00 N ATOM 43 CA ILE A 3 2.779 11.314 7.268 1.00 0.00 C ATOM 44 C ILE A 3 2.933 9.791 7.432 1.00 0.00 C ATOM 45 O ILE A 3 2.828 9.037 6.451 1.00 0.00 O ATOM 46 CB ILE A 3 1.287 11.675 6.912 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.112 13.214 6.642 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.307 11.185 8.019 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.296 13.628 6.227 1.00 0.00 C ATOM 0 H ILE A 3 3.438 11.446 5.288 1.00 0.00 H new ATOM 0 HA ILE A 3 3.019 11.826 8.200 1.00 0.00 H new ATOM 0 HB ILE A 3 1.038 11.150 5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.387 13.762 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.810 13.515 5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.714 11.449 7.744 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.387 10.103 8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.562 11.660 8.967 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.325 14.705 6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.571 13.112 5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.000 13.363 7.015 1.00 0.00 H new ATOM 61 N SER A 4 3.218 9.355 8.662 1.00 0.00 N ATOM 62 CA SER A 4 3.347 7.936 8.999 1.00 0.00 C ATOM 63 C SER A 4 2.057 7.428 9.662 1.00 0.00 C ATOM 64 O SER A 4 1.574 8.006 10.645 1.00 0.00 O ATOM 65 CB SER A 4 4.562 7.730 9.923 1.00 0.00 C ATOM 66 OG SER A 4 5.740 8.242 9.320 1.00 0.00 O ATOM 0 H SER A 4 3.366 9.979 9.455 1.00 0.00 H new ATOM 0 HA SER A 4 3.505 7.361 8.087 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.389 8.228 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.688 6.668 10.136 1.00 0.00 H new ATOM 0 HG SER A 4 6.502 8.104 9.921 1.00 0.00 H new ATOM 72 N ILE A 5 1.502 6.367 9.080 1.00 0.00 N ATOM 73 CA ILE A 5 0.391 5.585 9.630 1.00 0.00 C ATOM 74 C ILE A 5 0.892 4.163 9.926 1.00 0.00 C ATOM 75 O ILE A 5 2.035 3.809 9.574 1.00 0.00 O ATOM 76 CB ILE A 5 -0.829 5.516 8.628 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.383 4.881 7.269 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.464 6.916 8.418 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.466 4.724 6.235 1.00 0.00 C ATOM 0 H ILE A 5 1.824 6.013 8.179 1.00 0.00 H new ATOM 0 HA ILE A 5 0.043 6.071 10.541 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.596 4.877 9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.412 5.495 6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.046 3.900 7.471 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.300 6.836 7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.821 7.301 9.373 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.717 7.597 8.009 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.047 4.275 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.254 4.081 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.882 5.702 5.993 1.00 0.00 H new ATOM 91 N GLU A 6 0.041 3.356 10.574 1.00 0.00 N ATOM 92 CA GLU A 6 0.358 1.951 10.877 1.00 0.00 C ATOM 93 C GLU A 6 -0.913 1.090 11.000 1.00 0.00 C ATOM 94 O GLU A 6 -2.037 1.608 11.083 1.00 0.00 O ATOM 95 CB GLU A 6 1.218 1.848 12.171 1.00 0.00 C ATOM 96 CG GLU A 6 0.536 2.379 13.450 1.00 0.00 C ATOM 97 CD GLU A 6 1.402 2.249 14.710 1.00 0.00 C ATOM 98 OE1 GLU A 6 1.770 1.123 15.062 1.00 0.00 O ATOM 99 OE2 GLU A 6 1.717 3.263 15.352 1.00 0.00 O ATOM 0 H GLU A 6 -0.878 3.653 10.901 1.00 0.00 H new ATOM 0 HA GLU A 6 0.937 1.560 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.488 0.804 12.328 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.147 2.398 12.017 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.277 3.428 13.304 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.398 1.839 13.604 1.00 0.00 H new ATOM 106 N ALA A 7 -0.694 -0.232 10.987 1.00 0.00 N ATOM 107 CA ALA A 7 -1.727 -1.255 11.157 1.00 0.00 C ATOM 108 C ALA A 7 -1.056 -2.539 11.654 1.00 0.00 C ATOM 109 O ALA A 7 -0.158 -3.067 10.992 1.00 0.00 O ATOM 110 CB ALA A 7 -2.483 -1.503 9.839 1.00 0.00 C ATOM 0 H ALA A 7 0.237 -0.628 10.854 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.462 -0.916 11.887 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.244 -2.267 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.959 -0.578 9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.782 -1.839 9.075 1.00 0.00 H new ATOM 116 N HIS A 8 -1.481 -3.038 12.820 1.00 0.00 N ATOM 117 CA HIS A 8 -0.952 -4.285 13.385 1.00 0.00 C ATOM 118 C HIS A 8 -1.848 -5.415 12.884 1.00 0.00 C ATOM 119 O HIS A 8 -3.043 -5.450 13.192 1.00 0.00 O ATOM 120 CB HIS A 8 -0.928 -4.254 14.928 1.00 0.00 C ATOM 121 CG HIS A 8 -0.045 -3.190 15.517 1.00 0.00 C ATOM 122 ND1 HIS A 8 0.951 -3.465 16.420 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.044 -1.843 15.367 1.00 0.00 C ATOM 124 CE1 HIS A 8 1.522 -2.342 16.800 1.00 0.00 C ATOM 125 NE2 HIS A 8 0.939 -1.350 16.178 1.00 0.00 N ATOM 0 H HIS A 8 -2.196 -2.593 13.395 1.00 0.00 H new ATOM 0 HA HIS A 8 0.081 -4.429 13.067 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.945 -4.106 15.292 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.597 -5.226 15.293 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.697 -1.268 14.727 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.335 -2.254 17.506 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.180 -0.364 16.282 1.00 0.00 H new ATOM 134 N ILE A 9 -1.274 -6.287 12.061 1.00 0.00 N ATOM 135 CA ILE A 9 -1.980 -7.397 11.434 1.00 0.00 C ATOM 136 C ILE A 9 -1.595 -8.704 12.121 1.00 0.00 C ATOM 137 O ILE A 9 -0.423 -9.091 12.108 1.00 0.00 O ATOM 138 CB ILE A 9 -1.633 -7.484 9.908 1.00 0.00 C ATOM 139 CG1 ILE A 9 -2.040 -6.165 9.181 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.300 -8.720 9.257 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.787 -6.168 7.696 1.00 0.00 C ATOM 0 H ILE A 9 -0.287 -6.240 11.807 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.052 -7.229 11.538 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.555 -7.605 9.805 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.100 -5.980 9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.494 -5.335 9.628 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.043 -8.757 8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.945 -9.626 9.748 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.382 -8.649 9.366 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.099 -5.214 7.272 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.724 -6.318 7.508 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.355 -6.974 7.232 1.00 0.00 H new ATOM 153 N GLU A 10 -2.591 -9.394 12.692 1.00 0.00 N ATOM 154 CA GLU A 10 -2.397 -10.696 13.304 1.00 0.00 C ATOM 155 C GLU A 10 -2.289 -11.748 12.181 1.00 0.00 C ATOM 156 O GLU A 10 -3.292 -12.301 11.718 1.00 0.00 O ATOM 157 CB GLU A 10 -3.540 -10.995 14.311 1.00 0.00 C ATOM 158 CG GLU A 10 -3.333 -12.283 15.115 1.00 0.00 C ATOM 159 CD GLU A 10 -4.345 -12.460 16.258 1.00 0.00 C ATOM 160 OE1 GLU A 10 -5.540 -12.699 15.982 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.955 -12.361 17.433 1.00 0.00 O ATOM 0 H GLU A 10 -3.552 -9.056 12.738 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.473 -10.722 13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.632 -10.157 15.002 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.482 -11.064 13.767 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.403 -13.138 14.442 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.325 -12.286 15.529 1.00 0.00 H new ATOM 168 N GLN A 11 -1.045 -11.900 11.698 1.00 0.00 N ATOM 169 CA GLN A 11 -0.632 -12.858 10.664 1.00 0.00 C ATOM 170 C GLN A 11 0.910 -12.900 10.635 1.00 0.00 C ATOM 171 O GLN A 11 1.559 -11.984 11.147 1.00 0.00 O ATOM 172 CB GLN A 11 -1.215 -12.456 9.275 1.00 0.00 C ATOM 173 CG GLN A 11 -0.748 -13.323 8.095 1.00 0.00 C ATOM 174 CD GLN A 11 -1.420 -12.974 6.776 1.00 0.00 C ATOM 175 OE1 GLN A 11 -0.977 -12.090 6.057 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.483 -13.677 6.437 1.00 0.00 N ATOM 0 H GLN A 11 -0.267 -11.333 12.034 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.019 -13.850 10.895 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.303 -12.499 9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.947 -11.419 9.072 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.331 -13.217 7.982 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.943 -14.370 8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.830 -14.409 7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.958 -13.489 5.554 1.00 0.00 H new ATOM 185 N GLU A 12 1.489 -13.981 10.070 1.00 0.00 N ATOM 186 CA GLU A 12 2.948 -14.108 9.894 1.00 0.00 C ATOM 187 C GLU A 12 3.406 -13.131 8.778 1.00 0.00 C ATOM 188 O GLU A 12 2.712 -12.995 7.764 1.00 0.00 O ATOM 189 CB GLU A 12 3.343 -15.586 9.548 1.00 0.00 C ATOM 190 CG GLU A 12 4.634 -16.109 10.241 1.00 0.00 C ATOM 191 CD GLU A 12 5.861 -15.185 10.088 1.00 0.00 C ATOM 192 OE1 GLU A 12 6.469 -15.154 9.010 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.211 -14.463 11.048 1.00 0.00 O ATOM 0 H GLU A 12 0.961 -14.783 9.726 1.00 0.00 H new ATOM 0 HA GLU A 12 3.451 -13.850 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.514 -16.239 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.471 -15.667 8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.430 -16.249 11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.880 -17.089 9.832 1.00 0.00 H new ATOM 200 N ILE A 13 4.587 -12.497 8.974 1.00 0.00 N ATOM 201 CA ILE A 13 5.123 -11.433 8.085 1.00 0.00 C ATOM 202 C ILE A 13 5.294 -11.920 6.630 1.00 0.00 C ATOM 203 O ILE A 13 5.153 -11.135 5.699 1.00 0.00 O ATOM 204 CB ILE A 13 6.494 -10.862 8.628 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.954 -9.602 7.814 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.602 -11.952 8.632 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.254 -8.984 8.280 1.00 0.00 C ATOM 0 H ILE A 13 5.201 -12.710 9.760 1.00 0.00 H new ATOM 0 HA ILE A 13 4.385 -10.631 8.086 1.00 0.00 H new ATOM 0 HB ILE A 13 6.327 -10.551 9.659 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.057 -9.882 6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.170 -8.847 7.867 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.531 -11.525 9.011 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.296 -12.780 9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.758 -12.316 7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.490 -8.120 7.658 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.155 -8.667 9.318 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.055 -9.719 8.200 1.00 0.00 H new ATOM 219 N GLU A 14 5.581 -13.225 6.463 1.00 0.00 N ATOM 220 CA GLU A 14 5.750 -13.846 5.135 1.00 0.00 C ATOM 221 C GLU A 14 4.450 -13.756 4.320 1.00 0.00 C ATOM 222 O GLU A 14 4.468 -13.404 3.136 1.00 0.00 O ATOM 223 CB GLU A 14 6.223 -15.322 5.285 1.00 0.00 C ATOM 224 CG GLU A 14 5.279 -16.251 6.080 1.00 0.00 C ATOM 225 CD GLU A 14 5.773 -17.707 6.139 1.00 0.00 C ATOM 226 OE1 GLU A 14 5.713 -18.404 5.102 1.00 0.00 O ATOM 227 OE2 GLU A 14 6.209 -18.164 7.211 1.00 0.00 O ATOM 0 H GLU A 14 5.702 -13.875 7.240 1.00 0.00 H new ATOM 0 HA GLU A 14 6.518 -13.298 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.362 -15.742 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.199 -15.324 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.173 -15.868 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.289 -16.228 5.625 1.00 0.00 H new ATOM 234 N ALA A 15 3.323 -14.016 4.995 1.00 0.00 N ATOM 235 CA ALA A 15 1.999 -14.010 4.372 1.00 0.00 C ATOM 236 C ALA A 15 1.497 -12.579 4.165 1.00 0.00 C ATOM 237 O ALA A 15 0.793 -12.298 3.190 1.00 0.00 O ATOM 238 CB ALA A 15 1.018 -14.855 5.193 1.00 0.00 C ATOM 0 H ALA A 15 3.307 -14.237 5.991 1.00 0.00 H new ATOM 0 HA ALA A 15 2.074 -14.464 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.038 -14.840 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.380 -15.882 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.938 -14.444 6.200 1.00 0.00 H new ATOM 244 N VAL A 16 1.880 -11.684 5.089 1.00 0.00 N ATOM 245 CA VAL A 16 1.606 -10.236 4.970 1.00 0.00 C ATOM 246 C VAL A 16 2.360 -9.652 3.752 1.00 0.00 C ATOM 247 O VAL A 16 1.818 -8.817 3.017 1.00 0.00 O ATOM 248 CB VAL A 16 2.003 -9.458 6.288 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.769 -7.928 6.168 1.00 0.00 C ATOM 250 CG2 VAL A 16 1.258 -10.033 7.520 1.00 0.00 C ATOM 0 H VAL A 16 2.386 -11.938 5.937 1.00 0.00 H new ATOM 0 HA VAL A 16 0.534 -10.109 4.823 1.00 0.00 H new ATOM 0 HB VAL A 16 3.074 -9.607 6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.058 -7.442 7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.370 -7.531 5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.715 -7.736 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.550 -9.480 8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.182 -9.940 7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.518 -11.084 7.644 1.00 0.00 H new ATOM 260 N TRP A 17 3.600 -10.140 3.539 1.00 0.00 N ATOM 261 CA TRP A 17 4.466 -9.697 2.437 1.00 0.00 C ATOM 262 C TRP A 17 3.868 -10.051 1.060 1.00 0.00 C ATOM 263 O TRP A 17 3.784 -9.173 0.194 1.00 0.00 O ATOM 264 CB TRP A 17 5.903 -10.269 2.570 1.00 0.00 C ATOM 265 CG TRP A 17 6.833 -9.838 1.439 1.00 0.00 C ATOM 266 CD1 TRP A 17 7.370 -10.631 0.459 1.00 0.00 C ATOM 267 CD2 TRP A 17 7.298 -8.502 1.165 1.00 0.00 C ATOM 268 NE1 TRP A 17 8.130 -9.872 -0.394 1.00 0.00 N ATOM 269 CE2 TRP A 17 8.104 -8.566 0.016 1.00 0.00 C ATOM 270 CE3 TRP A 17 7.113 -7.262 1.780 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.717 -7.441 -0.529 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.727 -6.147 1.237 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.520 -6.242 0.092 1.00 0.00 C ATOM 0 H TRP A 17 4.026 -10.854 4.130 1.00 0.00 H new ATOM 0 HA TRP A 17 4.528 -8.611 2.506 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.327 -9.949 3.522 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.852 -11.358 2.594 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.217 -11.697 0.371 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.635 -10.225 -1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.501 -7.175 2.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.329 -7.515 -1.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.590 -5.185 1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.985 -5.353 -0.308 1.00 0.00 H new ATOM 284 N TRP A 18 3.457 -11.333 0.838 1.00 0.00 N ATOM 285 CA TRP A 18 2.892 -11.720 -0.479 1.00 0.00 C ATOM 286 C TRP A 18 1.504 -11.104 -0.672 1.00 0.00 C ATOM 287 O TRP A 18 1.130 -10.799 -1.787 1.00 0.00 O ATOM 288 CB TRP A 18 2.900 -13.251 -0.776 1.00 0.00 C ATOM 289 CG TRP A 18 2.064 -14.158 0.096 1.00 0.00 C ATOM 290 CD1 TRP A 18 2.539 -14.946 1.085 1.00 0.00 C ATOM 291 CD2 TRP A 18 0.644 -14.439 0.014 1.00 0.00 C ATOM 292 NE1 TRP A 18 1.527 -15.672 1.646 1.00 0.00 N ATOM 293 CE2 TRP A 18 0.359 -15.385 1.012 1.00 0.00 C ATOM 294 CE3 TRP A 18 -0.414 -13.981 -0.787 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -0.911 -15.884 1.236 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -1.683 -14.480 -0.564 1.00 0.00 C ATOM 297 CH2 TRP A 18 -1.922 -15.424 0.440 1.00 0.00 C ATOM 0 H TRP A 18 3.504 -12.085 1.526 1.00 0.00 H new ATOM 0 HA TRP A 18 3.571 -11.305 -1.223 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.575 -13.390 -1.807 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.933 -13.595 -0.718 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.574 -14.995 1.390 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.631 -16.328 2.420 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.239 -13.251 -1.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.097 -16.611 2.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.504 -14.135 -1.175 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.925 -15.796 0.589 1.00 0.00 H new ATOM 308 N ALA A 19 0.766 -10.876 0.425 1.00 0.00 N ATOM 309 CA ALA A 19 -0.535 -10.176 0.373 1.00 0.00 C ATOM 310 C ALA A 19 -0.345 -8.698 -0.070 1.00 0.00 C ATOM 311 O ALA A 19 -1.244 -8.107 -0.682 1.00 0.00 O ATOM 312 CB ALA A 19 -1.263 -10.290 1.724 1.00 0.00 C ATOM 0 H ALA A 19 1.045 -11.165 1.362 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.165 -10.656 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.219 -9.769 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.436 -11.341 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.651 -9.841 2.506 1.00 0.00 H new ATOM 318 N TRP A 20 0.840 -8.119 0.222 1.00 0.00 N ATOM 319 CA TRP A 20 1.212 -6.767 -0.255 1.00 0.00 C ATOM 320 C TRP A 20 1.834 -6.831 -1.681 1.00 0.00 C ATOM 321 O TRP A 20 1.844 -5.836 -2.400 1.00 0.00 O ATOM 322 CB TRP A 20 2.202 -6.103 0.746 1.00 0.00 C ATOM 323 CG TRP A 20 2.399 -4.610 0.521 1.00 0.00 C ATOM 324 CD1 TRP A 20 3.263 -3.993 -0.352 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.714 -3.553 1.203 1.00 0.00 C ATOM 326 NE1 TRP A 20 3.121 -2.631 -0.268 1.00 0.00 N ATOM 327 CE2 TRP A 20 2.182 -2.337 0.684 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.742 -3.525 2.197 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.707 -1.110 1.127 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.273 -2.309 2.643 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.755 -1.114 2.108 1.00 0.00 C ATOM 0 H TRP A 20 1.559 -8.569 0.789 1.00 0.00 H new ATOM 0 HA TRP A 20 0.309 -6.160 -0.312 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.838 -6.263 1.761 1.00 0.00 H new ATOM 0 HB3 TRP A 20 3.168 -6.602 0.671 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.952 -4.505 -1.007 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.633 -1.947 -0.825 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.360 -4.445 2.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.077 -0.184 0.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.479 -2.280 3.418 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.369 -0.175 2.476 1.00 0.00 H new ATOM 342 N ASN A 21 2.374 -8.005 -2.061 1.00 0.00 N ATOM 343 CA ASN A 21 3.051 -8.206 -3.370 1.00 0.00 C ATOM 344 C ASN A 21 2.057 -8.550 -4.501 1.00 0.00 C ATOM 345 O ASN A 21 2.207 -8.071 -5.633 1.00 0.00 O ATOM 346 CB ASN A 21 4.096 -9.354 -3.232 1.00 0.00 C ATOM 347 CG ASN A 21 4.708 -9.845 -4.559 1.00 0.00 C ATOM 348 OD1 ASN A 21 4.988 -11.032 -4.710 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.963 -8.947 -5.504 1.00 0.00 N ATOM 0 H ASN A 21 2.357 -8.841 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 21 3.538 -7.269 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.902 -9.014 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.620 -10.199 -2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.401 -9.237 -6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.721 -7.967 -5.355 1.00 0.00 H new ATOM 356 N ASP A 22 1.031 -9.343 -4.164 1.00 0.00 N ATOM 357 CA ASP A 22 0.126 -9.964 -5.146 1.00 0.00 C ATOM 358 C ASP A 22 -0.883 -8.929 -5.669 1.00 0.00 C ATOM 359 O ASP A 22 -1.747 -8.515 -4.904 1.00 0.00 O ATOM 360 CB ASP A 22 -0.629 -11.189 -4.533 1.00 0.00 C ATOM 361 CG ASP A 22 0.176 -12.497 -4.599 1.00 0.00 C ATOM 362 OD1 ASP A 22 0.171 -13.157 -5.652 1.00 0.00 O ATOM 363 OD2 ASP A 22 0.822 -12.869 -3.613 1.00 0.00 O ATOM 0 H ASP A 22 0.803 -9.574 -3.197 1.00 0.00 H new ATOM 0 HA ASP A 22 0.733 -10.325 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.873 -10.973 -3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.573 -11.325 -5.060 1.00 0.00 H new ATOM 368 N PRO A 23 -0.787 -8.504 -6.984 1.00 0.00 N ATOM 369 CA PRO A 23 -1.668 -7.470 -7.588 1.00 0.00 C ATOM 370 C PRO A 23 -3.168 -7.817 -7.491 1.00 0.00 C ATOM 371 O PRO A 23 -4.005 -6.912 -7.395 1.00 0.00 O ATOM 372 CB PRO A 23 -1.188 -7.397 -9.070 1.00 0.00 C ATOM 373 CG PRO A 23 -0.406 -8.652 -9.304 1.00 0.00 C ATOM 374 CD PRO A 23 0.211 -8.993 -7.975 1.00 0.00 C ATOM 0 HA PRO A 23 -1.590 -6.518 -7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.035 -7.330 -9.753 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -0.572 -6.514 -9.239 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.051 -9.457 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.359 -8.502 -10.065 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.381 -10.065 -7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.177 -8.504 -7.845 1.00 0.00 H new ATOM 382 N ASP A 24 -3.498 -9.120 -7.501 1.00 0.00 N ATOM 383 CA ASP A 24 -4.897 -9.587 -7.375 1.00 0.00 C ATOM 384 C ASP A 24 -5.433 -9.296 -5.963 1.00 0.00 C ATOM 385 O ASP A 24 -6.583 -8.890 -5.801 1.00 0.00 O ATOM 386 CB ASP A 24 -5.044 -11.104 -7.734 1.00 0.00 C ATOM 387 CG ASP A 24 -4.521 -12.077 -6.655 1.00 0.00 C ATOM 388 OD1 ASP A 24 -3.336 -11.993 -6.295 1.00 0.00 O ATOM 389 OD2 ASP A 24 -5.291 -12.929 -6.166 1.00 0.00 O ATOM 0 H ASP A 24 -2.816 -9.873 -7.595 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.498 -9.033 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.097 -11.319 -7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.512 -11.296 -8.666 1.00 0.00 H new ATOM 394 N CYS A 25 -4.561 -9.495 -4.960 1.00 0.00 N ATOM 395 CA CYS A 25 -4.864 -9.219 -3.550 1.00 0.00 C ATOM 396 C CYS A 25 -5.021 -7.707 -3.315 1.00 0.00 C ATOM 397 O CYS A 25 -6.003 -7.258 -2.699 1.00 0.00 O ATOM 398 CB CYS A 25 -3.759 -9.788 -2.637 1.00 0.00 C ATOM 399 SG CYS A 25 -4.057 -9.461 -0.894 1.00 0.00 S ATOM 0 H CYS A 25 -3.618 -9.855 -5.109 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.806 -9.708 -3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.684 -10.864 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.800 -9.357 -2.924 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.313 -9.660 -0.624 1.00 0.00 H new ATOM 405 N ILE A 26 -4.052 -6.937 -3.852 1.00 0.00 N ATOM 406 CA ILE A 26 -4.010 -5.467 -3.739 1.00 0.00 C ATOM 407 C ILE A 26 -5.265 -4.834 -4.332 1.00 0.00 C ATOM 408 O ILE A 26 -5.829 -3.926 -3.736 1.00 0.00 O ATOM 409 CB ILE A 26 -2.740 -4.850 -4.433 1.00 0.00 C ATOM 410 CG1 ILE A 26 -1.433 -5.501 -3.886 1.00 0.00 C ATOM 411 CG2 ILE A 26 -2.698 -3.305 -4.254 1.00 0.00 C ATOM 412 CD1 ILE A 26 -0.170 -4.976 -4.526 1.00 0.00 C ATOM 0 H ILE A 26 -3.270 -7.323 -4.381 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.958 -5.244 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.808 -5.066 -5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.379 -5.334 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.485 -6.579 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.810 -2.906 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.588 -2.863 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.667 -3.063 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.694 -5.478 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.199 -5.167 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.092 -3.903 -4.350 1.00 0.00 H new ATOM 424 N ALA A 27 -5.717 -5.387 -5.473 1.00 0.00 N ATOM 425 CA ALA A 27 -6.902 -4.906 -6.221 1.00 0.00 C ATOM 426 C ALA A 27 -8.150 -4.719 -5.330 1.00 0.00 C ATOM 427 O ALA A 27 -9.039 -3.915 -5.650 1.00 0.00 O ATOM 428 CB ALA A 27 -7.219 -5.871 -7.364 1.00 0.00 C ATOM 0 H ALA A 27 -5.266 -6.191 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.648 -3.922 -6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.091 -5.513 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.365 -5.928 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.427 -6.861 -6.957 1.00 0.00 H new ATOM 434 N ARG A 28 -8.188 -5.469 -4.215 1.00 0.00 N ATOM 435 CA ARG A 28 -9.252 -5.369 -3.219 1.00 0.00 C ATOM 436 C ARG A 28 -8.968 -4.221 -2.233 1.00 0.00 C ATOM 437 O ARG A 28 -9.752 -3.268 -2.145 1.00 0.00 O ATOM 438 CB ARG A 28 -9.412 -6.708 -2.458 1.00 0.00 C ATOM 439 CG ARG A 28 -10.471 -6.671 -1.336 1.00 0.00 C ATOM 440 CD ARG A 28 -10.731 -8.043 -0.716 1.00 0.00 C ATOM 441 NE ARG A 28 -11.600 -7.949 0.465 1.00 0.00 N ATOM 442 CZ ARG A 28 -11.941 -8.961 1.261 1.00 0.00 C ATOM 443 NH1 ARG A 28 -11.489 -10.199 1.031 1.00 0.00 N ATOM 444 NH2 ARG A 28 -12.740 -8.733 2.284 1.00 0.00 N ATOM 0 H ARG A 28 -7.476 -6.162 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.186 -5.153 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.679 -7.489 -3.170 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.450 -6.986 -2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.143 -5.982 -0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.405 -6.277 -1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.193 -8.696 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.783 -8.501 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.975 -7.029 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.874 -10.378 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.759 -10.964 1.650 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.089 -7.791 2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.009 -9.499 2.902 1.00 0.00 H new ATOM 458 N TRP A 29 -7.814 -4.286 -1.532 1.00 0.00 N ATOM 459 CA TRP A 29 -7.597 -3.497 -0.301 1.00 0.00 C ATOM 460 C TRP A 29 -7.063 -2.075 -0.571 1.00 0.00 C ATOM 461 O TRP A 29 -7.184 -1.206 0.305 1.00 0.00 O ATOM 462 CB TRP A 29 -6.692 -4.255 0.717 1.00 0.00 C ATOM 463 CG TRP A 29 -5.308 -4.663 0.244 1.00 0.00 C ATOM 464 CD1 TRP A 29 -4.908 -5.920 -0.115 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.138 -3.824 0.127 1.00 0.00 C ATOM 466 NE1 TRP A 29 -3.581 -5.910 -0.460 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.089 -4.639 -0.323 1.00 0.00 C ATOM 468 CE3 TRP A 29 -3.882 -2.462 0.345 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -1.813 -4.149 -0.556 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -2.613 -1.977 0.111 1.00 0.00 C ATOM 471 CH2 TRP A 29 -1.593 -2.820 -0.337 1.00 0.00 C ATOM 0 H TRP A 29 -7.023 -4.874 -1.797 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.583 -3.373 0.147 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -6.576 -3.626 1.600 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.220 -5.155 1.034 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.544 -6.793 -0.125 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.045 -6.721 -0.770 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.666 -1.804 0.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.020 -4.797 -0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.404 -0.930 0.276 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.609 -2.411 -0.514 1.00 0.00 H new ATOM 482 N ASN A 30 -6.465 -1.826 -1.769 1.00 0.00 N ATOM 483 CA ASN A 30 -5.883 -0.493 -2.100 1.00 0.00 C ATOM 484 C ASN A 30 -7.002 0.548 -2.321 1.00 0.00 C ATOM 485 O ASN A 30 -6.739 1.754 -2.371 1.00 0.00 O ATOM 486 CB ASN A 30 -4.888 -0.525 -3.309 1.00 0.00 C ATOM 487 CG ASN A 30 -5.544 -0.624 -4.692 1.00 0.00 C ATOM 488 OD1 ASN A 30 -5.728 -1.704 -5.233 1.00 0.00 O ATOM 489 ND2 ASN A 30 -5.888 0.516 -5.284 1.00 0.00 N ATOM 0 H ASN A 30 -6.374 -2.519 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.287 -0.195 -1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.275 0.376 -3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.215 -1.373 -3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.316 0.501 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.724 1.405 -4.812 1.00 0.00 H new ATOM 496 N ALA A 31 -8.243 0.050 -2.487 1.00 0.00 N ATOM 497 CA ALA A 31 -9.453 0.871 -2.464 1.00 0.00 C ATOM 498 C ALA A 31 -9.833 1.172 -1.005 1.00 0.00 C ATOM 499 O ALA A 31 -10.073 0.247 -0.229 1.00 0.00 O ATOM 500 CB ALA A 31 -10.592 0.151 -3.212 1.00 0.00 C ATOM 0 H ALA A 31 -8.427 -0.941 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.272 1.818 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.489 0.769 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.296 -0.022 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.798 -0.804 -2.729 1.00 0.00 H new ATOM 506 N ALA A 32 -9.879 2.470 -0.642 1.00 0.00 N ATOM 507 CA ALA A 32 -10.270 2.933 0.709 1.00 0.00 C ATOM 508 C ALA A 32 -11.811 2.937 0.891 1.00 0.00 C ATOM 509 O ALA A 32 -12.309 3.398 1.912 1.00 0.00 O ATOM 510 CB ALA A 32 -9.684 4.331 0.986 1.00 0.00 C ATOM 0 H ALA A 32 -9.645 3.231 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.859 2.230 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.980 4.659 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.597 4.288 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.061 5.037 0.246 1.00 0.00 H new ATOM 516 N SER A 33 -12.548 2.401 -0.099 1.00 0.00 N ATOM 517 CA SER A 33 -14.008 2.285 -0.060 1.00 0.00 C ATOM 518 C SER A 33 -14.442 1.055 -0.870 1.00 0.00 C ATOM 519 O SER A 33 -13.789 0.708 -1.859 1.00 0.00 O ATOM 520 CB SER A 33 -14.667 3.557 -0.638 1.00 0.00 C ATOM 521 OG SER A 33 -16.083 3.467 -0.638 1.00 0.00 O ATOM 0 H SER A 33 -12.136 2.033 -0.957 1.00 0.00 H new ATOM 0 HA SER A 33 -14.328 2.172 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.358 4.423 -0.053 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.314 3.718 -1.656 1.00 0.00 H new ATOM 0 HG SER A 33 -16.463 4.291 -1.009 1.00 0.00 H new ATOM 527 N SER A 34 -15.550 0.410 -0.450 1.00 0.00 N ATOM 528 CA SER A 34 -16.162 -0.720 -1.188 1.00 0.00 C ATOM 529 C SER A 34 -16.845 -0.227 -2.476 1.00 0.00 C ATOM 530 O SER A 34 -17.125 -1.016 -3.378 1.00 0.00 O ATOM 531 CB SER A 34 -17.188 -1.465 -0.303 1.00 0.00 C ATOM 532 OG SER A 34 -16.569 -2.020 0.845 1.00 0.00 O ATOM 0 H SER A 34 -16.046 0.655 0.407 1.00 0.00 H new ATOM 0 HA SER A 34 -15.363 -1.411 -1.457 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.976 -0.777 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.664 -2.257 -0.881 1.00 0.00 H new ATOM 0 HG SER A 34 -17.241 -2.484 1.387 1.00 0.00 H new ATOM 538 N ASP A 35 -17.122 1.092 -2.528 1.00 0.00 N ATOM 539 CA ASP A 35 -17.646 1.766 -3.729 1.00 0.00 C ATOM 540 C ASP A 35 -16.629 1.655 -4.873 1.00 0.00 C ATOM 541 O ASP A 35 -16.996 1.493 -6.040 1.00 0.00 O ATOM 542 CB ASP A 35 -17.959 3.255 -3.416 1.00 0.00 C ATOM 543 CG ASP A 35 -18.725 3.959 -4.549 1.00 0.00 C ATOM 544 OD1 ASP A 35 -18.101 4.400 -5.538 1.00 0.00 O ATOM 545 OD2 ASP A 35 -19.969 4.046 -4.469 1.00 0.00 O ATOM 0 H ASP A 35 -16.987 1.719 -1.735 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.572 1.280 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.545 3.312 -2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.025 3.786 -3.232 1.00 0.00 H new ATOM 550 N TRP A 36 -15.345 1.653 -4.499 1.00 0.00 N ATOM 551 CA TRP A 36 -14.229 1.624 -5.442 1.00 0.00 C ATOM 552 C TRP A 36 -13.672 0.203 -5.534 1.00 0.00 C ATOM 553 O TRP A 36 -13.798 -0.587 -4.599 1.00 0.00 O ATOM 554 CB TRP A 36 -13.121 2.605 -5.002 1.00 0.00 C ATOM 555 CG TRP A 36 -13.492 4.059 -5.170 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.340 4.795 -4.388 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.015 4.946 -6.188 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.411 6.077 -4.859 1.00 0.00 N ATOM 559 CE2 TRP A 36 -13.610 6.194 -5.963 1.00 0.00 C ATOM 560 CE3 TRP A 36 -12.135 4.800 -7.266 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -13.361 7.294 -6.777 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -11.885 5.890 -8.072 1.00 0.00 C ATOM 563 CH2 TRP A 36 -12.494 7.125 -7.823 1.00 0.00 C ATOM 0 H TRP A 36 -15.052 1.672 -3.522 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.588 1.933 -6.424 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -12.880 2.420 -3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.218 2.401 -5.578 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -14.874 4.420 -3.527 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -14.971 6.826 -4.453 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.660 3.850 -7.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -13.834 8.247 -6.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.209 5.789 -8.908 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -12.276 7.962 -8.469 1.00 0.00 H new ATOM 574 N HIS A 37 -13.036 -0.087 -6.666 1.00 0.00 N ATOM 575 CA HIS A 37 -12.441 -1.387 -6.958 1.00 0.00 C ATOM 576 C HIS A 37 -11.377 -1.184 -8.032 1.00 0.00 C ATOM 577 O HIS A 37 -11.622 -0.487 -9.021 1.00 0.00 O ATOM 578 CB HIS A 37 -13.516 -2.416 -7.428 1.00 0.00 C ATOM 579 CG HIS A 37 -14.183 -2.083 -8.744 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.779 -2.619 -9.944 1.00 0.00 N ATOM 581 CD2 HIS A 37 -15.205 -1.246 -9.038 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.513 -2.122 -10.911 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.387 -1.292 -10.393 1.00 0.00 N ATOM 0 H HIS A 37 -12.918 0.589 -7.421 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.992 -1.797 -6.053 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -13.047 -3.396 -7.513 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.283 -2.495 -6.658 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.771 -0.653 -8.335 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.414 -2.357 -11.960 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -16.088 -0.767 -10.915 1.00 0.00 H new ATOM 592 N THR A 38 -10.193 -1.760 -7.837 1.00 0.00 N ATOM 593 CA THR A 38 -9.134 -1.694 -8.844 1.00 0.00 C ATOM 594 C THR A 38 -9.395 -2.771 -9.899 1.00 0.00 C ATOM 595 O THR A 38 -9.318 -3.968 -9.608 1.00 0.00 O ATOM 596 CB THR A 38 -7.741 -1.866 -8.204 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.600 -0.923 -7.134 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.609 -1.653 -9.219 1.00 0.00 C ATOM 0 H THR A 38 -9.942 -2.276 -6.994 1.00 0.00 H new ATOM 0 HA THR A 38 -9.144 -0.712 -9.316 1.00 0.00 H new ATOM 0 HB THR A 38 -7.665 -2.888 -7.833 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.043 -1.311 -6.427 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.647 -1.784 -8.724 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.703 -2.379 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.672 -0.645 -9.628 1.00 0.00 H new ATOM 606 N THR A 39 -9.727 -2.313 -11.105 1.00 0.00 N ATOM 607 CA THR A 39 -10.160 -3.168 -12.217 1.00 0.00 C ATOM 608 C THR A 39 -8.944 -3.718 -13.000 1.00 0.00 C ATOM 609 O THR A 39 -9.043 -4.746 -13.679 1.00 0.00 O ATOM 610 CB THR A 39 -11.084 -2.340 -13.176 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.928 -1.466 -12.408 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.970 -3.233 -14.063 1.00 0.00 C ATOM 0 H THR A 39 -9.703 -1.322 -11.344 1.00 0.00 H new ATOM 0 HA THR A 39 -10.712 -4.016 -11.812 1.00 0.00 H new ATOM 0 HB THR A 39 -10.426 -1.767 -13.829 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.502 -0.951 -13.013 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.589 -2.607 -14.706 1.00 0.00 H new ATOM 0 HG22 THR A 39 -11.339 -3.875 -14.678 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.610 -3.850 -13.433 1.00 0.00 H new ATOM 620 N GLY A 40 -7.798 -3.016 -12.879 1.00 0.00 N ATOM 621 CA GLY A 40 -6.560 -3.378 -13.570 1.00 0.00 C ATOM 622 C GLY A 40 -5.348 -3.118 -12.696 1.00 0.00 C ATOM 623 O GLY A 40 -4.765 -2.032 -12.734 1.00 0.00 O ATOM 0 H GLY A 40 -7.713 -2.183 -12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.591 -4.431 -13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.475 -2.805 -14.494 1.00 0.00 H new ATOM 627 N SER A 41 -4.977 -4.124 -11.902 1.00 0.00 N ATOM 628 CA SER A 41 -3.856 -4.053 -10.962 1.00 0.00 C ATOM 629 C SER A 41 -2.749 -5.002 -11.437 1.00 0.00 C ATOM 630 O SER A 41 -2.944 -6.218 -11.466 1.00 0.00 O ATOM 631 CB SER A 41 -4.319 -4.421 -9.532 1.00 0.00 C ATOM 632 OG SER A 41 -3.286 -4.223 -8.577 1.00 0.00 O ATOM 0 H SER A 41 -5.454 -5.025 -11.894 1.00 0.00 H new ATOM 0 HA SER A 41 -3.470 -3.034 -10.931 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.184 -3.815 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.640 -5.463 -9.510 1.00 0.00 H new ATOM 0 HG SER A 41 -3.024 -3.279 -8.569 1.00 0.00 H new ATOM 638 N ARG A 42 -1.623 -4.429 -11.886 1.00 0.00 N ATOM 639 CA ARG A 42 -0.378 -5.173 -12.154 1.00 0.00 C ATOM 640 C ARG A 42 0.675 -4.724 -11.141 1.00 0.00 C ATOM 641 O ARG A 42 0.628 -3.588 -10.677 1.00 0.00 O ATOM 642 CB ARG A 42 0.139 -4.907 -13.588 1.00 0.00 C ATOM 643 CG ARG A 42 -0.871 -5.188 -14.727 1.00 0.00 C ATOM 644 CD ARG A 42 -0.230 -4.990 -16.111 1.00 0.00 C ATOM 645 NE ARG A 42 0.421 -3.667 -16.233 1.00 0.00 N ATOM 646 CZ ARG A 42 1.726 -3.449 -16.467 1.00 0.00 C ATOM 647 NH1 ARG A 42 2.577 -4.458 -16.611 1.00 0.00 N ATOM 648 NH2 ARG A 42 2.177 -2.217 -16.517 1.00 0.00 N ATOM 0 H ARG A 42 -1.547 -3.430 -12.076 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.575 -6.241 -12.063 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.453 -3.865 -13.654 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.026 -5.518 -13.754 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.244 -6.209 -14.640 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.730 -4.525 -14.625 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.506 -5.774 -16.286 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.993 -5.092 -16.883 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.175 -2.846 -16.130 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.244 -5.420 -16.544 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.564 -4.271 -16.788 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.538 -1.434 -16.379 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.166 -2.043 -16.694 1.00 0.00 H new ATOM 662 N VAL A 43 1.587 -5.630 -10.760 1.00 0.00 N ATOM 663 CA VAL A 43 2.742 -5.320 -9.897 1.00 0.00 C ATOM 664 C VAL A 43 3.980 -6.043 -10.435 1.00 0.00 C ATOM 665 O VAL A 43 3.966 -7.260 -10.602 1.00 0.00 O ATOM 666 CB VAL A 43 2.505 -5.732 -8.381 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.788 -5.558 -7.516 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.319 -4.944 -7.760 1.00 0.00 C ATOM 0 H VAL A 43 1.545 -6.609 -11.044 1.00 0.00 H new ATOM 0 HA VAL A 43 2.884 -4.239 -9.917 1.00 0.00 H new ATOM 0 HB VAL A 43 2.252 -6.792 -8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.576 -5.852 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.584 -6.185 -7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.103 -4.515 -7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.183 -5.249 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.532 -3.876 -7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.409 -5.154 -8.322 1.00 0.00 H new ATOM 678 N ASP A 44 5.035 -5.281 -10.716 1.00 0.00 N ATOM 679 CA ASP A 44 6.360 -5.824 -11.017 1.00 0.00 C ATOM 680 C ASP A 44 7.267 -5.460 -9.846 1.00 0.00 C ATOM 681 O ASP A 44 7.989 -4.455 -9.901 1.00 0.00 O ATOM 682 CB ASP A 44 6.912 -5.269 -12.360 1.00 0.00 C ATOM 683 CG ASP A 44 6.058 -5.695 -13.568 1.00 0.00 C ATOM 684 OD1 ASP A 44 5.098 -4.975 -13.919 1.00 0.00 O ATOM 685 OD2 ASP A 44 6.325 -6.765 -14.156 1.00 0.00 O ATOM 0 H ASP A 44 4.995 -4.262 -10.742 1.00 0.00 H new ATOM 0 HA ASP A 44 6.310 -6.906 -11.140 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.950 -4.181 -12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.935 -5.618 -12.501 1.00 0.00 H new ATOM 690 N LEU A 45 7.139 -6.240 -8.744 1.00 0.00 N ATOM 691 CA LEU A 45 7.943 -6.056 -7.519 1.00 0.00 C ATOM 692 C LEU A 45 9.409 -6.431 -7.809 1.00 0.00 C ATOM 693 O LEU A 45 9.836 -7.556 -7.560 1.00 0.00 O ATOM 694 CB LEU A 45 7.363 -6.901 -6.336 1.00 0.00 C ATOM 695 CG LEU A 45 8.097 -6.764 -4.961 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.839 -5.394 -4.306 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.751 -7.926 -4.002 1.00 0.00 C ATOM 0 H LEU A 45 6.475 -7.012 -8.684 1.00 0.00 H new ATOM 0 HA LEU A 45 7.901 -5.009 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.319 -6.622 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.376 -7.951 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 45 9.165 -6.826 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.367 -5.341 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.198 -4.603 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.770 -5.268 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.282 -7.791 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.677 -7.936 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.049 -8.872 -4.454 1.00 0.00 H new ATOM 709 N VAL A 46 10.117 -5.500 -8.461 1.00 0.00 N ATOM 710 CA VAL A 46 11.543 -5.581 -8.778 1.00 0.00 C ATOM 711 C VAL A 46 12.120 -4.166 -8.669 1.00 0.00 C ATOM 712 O VAL A 46 11.394 -3.178 -8.864 1.00 0.00 O ATOM 713 CB VAL A 46 11.827 -6.171 -10.225 1.00 0.00 C ATOM 714 CG1 VAL A 46 11.530 -7.695 -10.293 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.040 -5.396 -11.318 1.00 0.00 C ATOM 0 H VAL A 46 9.691 -4.635 -8.795 1.00 0.00 H new ATOM 0 HA VAL A 46 12.016 -6.266 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 46 12.890 -6.037 -10.424 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.736 -8.061 -11.299 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.163 -8.221 -9.578 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.482 -7.873 -10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.257 -5.825 -12.296 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.971 -5.470 -11.118 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.339 -4.348 -11.307 1.00 0.00 H new ATOM 725 N VAL A 47 13.411 -4.071 -8.352 1.00 0.00 N ATOM 726 CA VAL A 47 14.103 -2.782 -8.251 1.00 0.00 C ATOM 727 C VAL A 47 14.255 -2.201 -9.669 1.00 0.00 C ATOM 728 O VAL A 47 14.897 -2.815 -10.538 1.00 0.00 O ATOM 729 CB VAL A 47 15.507 -2.926 -7.567 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.173 -1.538 -7.345 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.402 -3.739 -6.253 1.00 0.00 C ATOM 0 H VAL A 47 14.005 -4.878 -8.159 1.00 0.00 H new ATOM 0 HA VAL A 47 13.513 -2.112 -7.626 1.00 0.00 H new ATOM 0 HB VAL A 47 16.157 -3.484 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.144 -1.672 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.305 -1.040 -8.306 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.537 -0.927 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.389 -3.825 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.728 -3.231 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.015 -4.735 -6.471 1.00 0.00 H new ATOM 741 N GLY A 48 13.628 -1.038 -9.895 1.00 0.00 N ATOM 742 CA GLY A 48 13.583 -0.394 -11.211 1.00 0.00 C ATOM 743 C GLY A 48 12.247 -0.611 -11.921 1.00 0.00 C ATOM 744 O GLY A 48 11.909 0.136 -12.842 1.00 0.00 O ATOM 0 H GLY A 48 13.137 -0.518 -9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.760 0.675 -11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.389 -0.785 -11.832 1.00 0.00 H new ATOM 748 N GLY A 49 11.488 -1.641 -11.486 1.00 0.00 N ATOM 749 CA GLY A 49 10.149 -1.937 -12.023 1.00 0.00 C ATOM 750 C GLY A 49 9.059 -1.163 -11.304 1.00 0.00 C ATOM 751 O GLY A 49 9.353 -0.420 -10.368 1.00 0.00 O ATOM 0 H GLY A 49 11.788 -2.286 -10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.124 -1.695 -13.085 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.952 -3.005 -11.935 1.00 0.00 H new ATOM 755 N ARG A 50 7.790 -1.331 -11.725 1.00 0.00 N ATOM 756 CA ARG A 50 6.666 -0.564 -11.160 1.00 0.00 C ATOM 757 C ARG A 50 5.371 -1.365 -11.148 1.00 0.00 C ATOM 758 O ARG A 50 5.291 -2.460 -11.698 1.00 0.00 O ATOM 759 CB ARG A 50 6.478 0.775 -11.916 1.00 0.00 C ATOM 760 CG ARG A 50 6.247 0.674 -13.429 1.00 0.00 C ATOM 761 CD ARG A 50 6.001 2.057 -14.046 1.00 0.00 C ATOM 762 NE ARG A 50 7.088 3.014 -13.720 1.00 0.00 N ATOM 763 CZ ARG A 50 7.529 4.013 -14.492 1.00 0.00 C ATOM 764 NH1 ARG A 50 7.030 4.227 -15.701 1.00 0.00 N ATOM 765 NH2 ARG A 50 8.483 4.810 -14.042 1.00 0.00 N ATOM 0 H ARG A 50 7.519 -1.991 -12.454 1.00 0.00 H new ATOM 0 HA ARG A 50 6.917 -0.345 -10.122 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.631 1.301 -11.475 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.361 1.391 -11.745 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.113 0.211 -13.902 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.392 0.027 -13.627 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.916 1.961 -15.128 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.051 2.451 -13.685 1.00 0.00 H new ATOM 0 HE ARG A 50 7.545 2.898 -12.815 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.292 3.623 -16.062 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.384 4.996 -16.270 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.877 4.660 -13.113 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.826 5.575 -14.624 1.00 0.00 H new ATOM 779 N PHE A 51 4.361 -0.797 -10.475 1.00 0.00 N ATOM 780 CA PHE A 51 2.984 -1.309 -10.480 1.00 0.00 C ATOM 781 C PHE A 51 2.046 -0.282 -11.122 1.00 0.00 C ATOM 782 O PHE A 51 2.433 0.871 -11.307 1.00 0.00 O ATOM 783 CB PHE A 51 2.517 -1.667 -9.038 1.00 0.00 C ATOM 784 CG PHE A 51 2.503 -0.524 -8.008 1.00 0.00 C ATOM 785 CD1 PHE A 51 1.414 0.335 -7.888 1.00 0.00 C ATOM 786 CD2 PHE A 51 3.564 -0.347 -7.132 1.00 0.00 C ATOM 787 CE1 PHE A 51 1.397 1.327 -6.932 1.00 0.00 C ATOM 788 CE2 PHE A 51 3.550 0.647 -6.181 1.00 0.00 C ATOM 789 CZ PHE A 51 2.461 1.482 -6.077 1.00 0.00 C ATOM 0 H PHE A 51 4.479 0.041 -9.905 1.00 0.00 H new ATOM 0 HA PHE A 51 2.955 -2.224 -11.072 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.510 -2.080 -9.100 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.164 -2.458 -8.658 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.571 0.222 -8.553 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.419 -1.003 -7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.544 1.985 -6.855 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.393 0.772 -5.517 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.443 2.257 -5.325 1.00 0.00 H new ATOM 799 N CYS A 52 0.816 -0.716 -11.444 1.00 0.00 N ATOM 800 CA CYS A 52 -0.264 0.159 -11.932 1.00 0.00 C ATOM 801 C CYS A 52 -1.590 -0.280 -11.300 1.00 0.00 C ATOM 802 O CYS A 52 -1.969 -1.446 -11.418 1.00 0.00 O ATOM 803 CB CYS A 52 -0.352 0.083 -13.475 1.00 0.00 C ATOM 804 SG CYS A 52 -0.633 -1.581 -14.120 1.00 0.00 S ATOM 0 H CYS A 52 0.540 -1.695 -11.372 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.055 1.191 -11.650 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.159 0.733 -13.814 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.572 0.474 -13.900 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.300 -1.508 -15.234 1.00 0.00 H new ATOM 810 N HIS A 53 -2.272 0.627 -10.576 1.00 0.00 N ATOM 811 CA HIS A 53 -3.594 0.342 -9.986 1.00 0.00 C ATOM 812 C HIS A 53 -4.653 1.230 -10.644 1.00 0.00 C ATOM 813 O HIS A 53 -4.816 2.396 -10.265 1.00 0.00 O ATOM 814 CB HIS A 53 -3.577 0.550 -8.447 1.00 0.00 C ATOM 815 CG HIS A 53 -2.581 -0.318 -7.710 1.00 0.00 C ATOM 816 ND1 HIS A 53 -2.156 -1.555 -8.168 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.907 -0.103 -6.557 1.00 0.00 C ATOM 818 CE1 HIS A 53 -1.269 -2.051 -7.332 1.00 0.00 C ATOM 819 NE2 HIS A 53 -1.096 -1.193 -6.345 1.00 0.00 N ATOM 0 H HIS A 53 -1.927 1.568 -10.385 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.842 -0.703 -10.172 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.355 1.596 -8.236 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.574 0.351 -8.055 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.991 0.765 -5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.767 -3.001 -7.436 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.464 -1.318 -5.554 1.00 0.00 H new ATOM 828 N HIS A 54 -5.351 0.675 -11.650 1.00 0.00 N ATOM 829 CA HIS A 54 -6.441 1.370 -12.351 1.00 0.00 C ATOM 830 C HIS A 54 -7.722 1.235 -11.521 1.00 0.00 C ATOM 831 O HIS A 54 -8.487 0.278 -11.680 1.00 0.00 O ATOM 832 CB HIS A 54 -6.642 0.797 -13.778 1.00 0.00 C ATOM 833 CG HIS A 54 -5.378 0.738 -14.610 1.00 0.00 C ATOM 834 ND1 HIS A 54 -4.441 1.744 -14.622 1.00 0.00 N ATOM 835 CD2 HIS A 54 -4.889 -0.222 -15.429 1.00 0.00 C ATOM 836 CE1 HIS A 54 -3.437 1.405 -15.407 1.00 0.00 C ATOM 837 NE2 HIS A 54 -3.680 0.219 -15.911 1.00 0.00 N ATOM 0 H HIS A 54 -5.174 -0.267 -11.999 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.187 2.424 -12.462 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.058 -0.207 -13.698 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.379 1.406 -14.301 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -4.512 2.619 -14.103 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.363 -1.164 -15.662 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.560 2.005 -15.602 1.00 0.00 H new ATOM 846 N MET A 55 -7.895 2.176 -10.592 1.00 0.00 N ATOM 847 CA MET A 55 -9.035 2.195 -9.663 1.00 0.00 C ATOM 848 C MET A 55 -10.248 2.842 -10.334 1.00 0.00 C ATOM 849 O MET A 55 -10.116 3.881 -10.968 1.00 0.00 O ATOM 850 CB MET A 55 -8.675 2.959 -8.368 1.00 0.00 C ATOM 851 CG MET A 55 -7.411 2.451 -7.671 1.00 0.00 C ATOM 852 SD MET A 55 -7.052 3.339 -6.141 1.00 0.00 S ATOM 853 CE MET A 55 -8.546 3.032 -5.201 1.00 0.00 C ATOM 0 H MET A 55 -7.247 2.952 -10.459 1.00 0.00 H new ATOM 0 HA MET A 55 -9.280 1.166 -9.398 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.546 4.015 -8.606 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.512 2.889 -7.674 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.524 1.389 -7.452 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.563 2.548 -8.350 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.397 3.348 -4.168 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.372 3.594 -5.637 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.779 1.967 -5.225 1.00 0.00 H new ATOM 863 N ALA A 56 -11.408 2.206 -10.196 1.00 0.00 N ATOM 864 CA ALA A 56 -12.682 2.697 -10.726 1.00 0.00 C ATOM 865 C ALA A 56 -13.765 2.513 -9.665 1.00 0.00 C ATOM 866 O ALA A 56 -13.728 1.553 -8.902 1.00 0.00 O ATOM 867 CB ALA A 56 -13.049 1.950 -12.016 1.00 0.00 C ATOM 0 H ALA A 56 -11.493 1.317 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.594 3.756 -10.969 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.998 2.327 -12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.270 2.108 -12.762 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.140 0.884 -11.806 1.00 0.00 H new ATOM 873 N ALA A 57 -14.717 3.445 -9.614 1.00 0.00 N ATOM 874 CA ALA A 57 -15.871 3.374 -8.705 1.00 0.00 C ATOM 875 C ALA A 57 -16.914 2.380 -9.241 1.00 0.00 C ATOM 876 O ALA A 57 -16.697 1.738 -10.278 1.00 0.00 O ATOM 877 CB ALA A 57 -16.473 4.771 -8.533 1.00 0.00 C ATOM 0 H ALA A 57 -14.713 4.277 -10.204 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.543 3.015 -7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.328 4.718 -7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.722 5.442 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.798 5.149 -9.502 1.00 0.00 H new ATOM 883 N LYS A 58 -18.050 2.260 -8.535 1.00 0.00 N ATOM 884 CA LYS A 58 -19.165 1.370 -8.939 1.00 0.00 C ATOM 885 C LYS A 58 -19.723 1.743 -10.335 1.00 0.00 C ATOM 886 O LYS A 58 -20.339 0.917 -11.011 1.00 0.00 O ATOM 887 CB LYS A 58 -20.284 1.379 -7.840 1.00 0.00 C ATOM 888 CG LYS A 58 -20.891 2.774 -7.467 1.00 0.00 C ATOM 889 CD LYS A 58 -21.968 3.309 -8.449 1.00 0.00 C ATOM 890 CE LYS A 58 -23.183 2.382 -8.574 1.00 0.00 C ATOM 891 NZ LYS A 58 -24.146 2.873 -9.585 1.00 0.00 N ATOM 0 H LYS A 58 -18.227 2.772 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.779 0.354 -9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -21.096 0.733 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.875 0.932 -6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -21.331 2.707 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.081 3.501 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -22.301 4.291 -8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.519 3.444 -9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.850 1.380 -8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -23.680 2.301 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -24.954 2.220 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -24.483 3.818 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.679 2.926 -10.513 1.00 0.00 H new ATOM 905 N ASP A 59 -19.512 3.010 -10.730 1.00 0.00 N ATOM 906 CA ASP A 59 -20.017 3.576 -11.996 1.00 0.00 C ATOM 907 C ASP A 59 -18.957 3.540 -13.106 1.00 0.00 C ATOM 908 O ASP A 59 -19.298 3.476 -14.295 1.00 0.00 O ATOM 909 CB ASP A 59 -20.496 5.032 -11.752 1.00 0.00 C ATOM 910 CG ASP A 59 -19.415 5.949 -11.140 1.00 0.00 C ATOM 911 OD1 ASP A 59 -19.224 5.918 -9.908 1.00 0.00 O ATOM 912 OD2 ASP A 59 -18.752 6.691 -11.883 1.00 0.00 O ATOM 0 H ASP A 59 -18.980 3.679 -10.174 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.853 2.963 -12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.828 5.459 -12.698 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.361 5.014 -11.090 1.00 0.00 H new ATOM 917 N GLY A 60 -17.676 3.585 -12.712 1.00 0.00 N ATOM 918 CA GLY A 60 -16.562 3.494 -13.662 1.00 0.00 C ATOM 919 C GLY A 60 -16.115 4.834 -14.269 1.00 0.00 C ATOM 920 O GLY A 60 -15.028 4.900 -14.860 1.00 0.00 O ATOM 0 H GLY A 60 -17.387 3.684 -11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.710 3.039 -13.157 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.849 2.823 -14.472 1.00 0.00 H new ATOM 924 N SER A 61 -16.944 5.903 -14.140 1.00 0.00 N ATOM 925 CA SER A 61 -16.593 7.259 -14.642 1.00 0.00 C ATOM 926 C SER A 61 -15.584 7.913 -13.681 1.00 0.00 C ATOM 927 O SER A 61 -14.617 8.563 -14.110 1.00 0.00 O ATOM 928 CB SER A 61 -17.854 8.148 -14.783 1.00 0.00 C ATOM 929 OG SER A 61 -18.790 7.594 -15.693 1.00 0.00 O ATOM 0 H SER A 61 -17.859 5.852 -13.693 1.00 0.00 H new ATOM 0 HA SER A 61 -16.145 7.160 -15.631 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.324 8.269 -13.807 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.562 9.142 -15.122 1.00 0.00 H new ATOM 0 HG SER A 61 -19.573 8.181 -15.755 1.00 0.00 H new ATOM 935 N ALA A 62 -15.834 7.721 -12.371 1.00 0.00 N ATOM 936 CA ALA A 62 -14.907 8.106 -11.304 1.00 0.00 C ATOM 937 C ALA A 62 -13.765 7.087 -11.270 1.00 0.00 C ATOM 938 O ALA A 62 -13.986 5.926 -10.930 1.00 0.00 O ATOM 939 CB ALA A 62 -15.654 8.173 -9.958 1.00 0.00 C ATOM 0 H ALA A 62 -16.693 7.291 -12.028 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.491 9.096 -11.491 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.958 8.460 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.454 8.911 -10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.079 7.196 -9.729 1.00 0.00 H new ATOM 945 N GLY A 63 -12.560 7.511 -11.684 1.00 0.00 N ATOM 946 CA GLY A 63 -11.397 6.628 -11.753 1.00 0.00 C ATOM 947 C GLY A 63 -10.107 7.342 -11.382 1.00 0.00 C ATOM 948 O GLY A 63 -9.902 8.492 -11.775 1.00 0.00 O ATOM 0 H GLY A 63 -12.371 8.469 -11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.546 5.781 -11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.309 6.225 -12.762 1.00 0.00 H new ATOM 952 N PHE A 64 -9.236 6.651 -10.630 1.00 0.00 N ATOM 953 CA PHE A 64 -7.916 7.161 -10.218 1.00 0.00 C ATOM 954 C PHE A 64 -6.847 6.101 -10.542 1.00 0.00 C ATOM 955 O PHE A 64 -6.977 4.947 -10.119 1.00 0.00 O ATOM 956 CB PHE A 64 -7.921 7.493 -8.703 1.00 0.00 C ATOM 957 CG PHE A 64 -6.649 8.193 -8.195 1.00 0.00 C ATOM 958 CD1 PHE A 64 -6.541 9.588 -8.228 1.00 0.00 C ATOM 959 CD2 PHE A 64 -5.570 7.466 -7.683 1.00 0.00 C ATOM 960 CE1 PHE A 64 -5.405 10.225 -7.765 1.00 0.00 C ATOM 961 CE2 PHE A 64 -4.430 8.107 -7.225 1.00 0.00 C ATOM 962 CZ PHE A 64 -4.349 9.487 -7.263 1.00 0.00 C ATOM 0 H PHE A 64 -9.430 5.711 -10.286 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.687 8.077 -10.762 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.780 8.128 -8.487 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.059 6.568 -8.143 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.357 10.176 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.626 6.388 -7.644 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.342 11.303 -7.795 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.604 7.528 -6.838 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.463 9.987 -6.901 1.00 0.00 H new ATOM 972 N ASP A 65 -5.797 6.487 -11.296 1.00 0.00 N ATOM 973 CA ASP A 65 -4.674 5.590 -11.606 1.00 0.00 C ATOM 974 C ASP A 65 -3.520 5.874 -10.645 1.00 0.00 C ATOM 975 O ASP A 65 -3.077 7.022 -10.509 1.00 0.00 O ATOM 976 CB ASP A 65 -4.211 5.745 -13.077 1.00 0.00 C ATOM 977 CG ASP A 65 -3.032 4.815 -13.453 1.00 0.00 C ATOM 978 OD1 ASP A 65 -2.993 3.640 -12.993 1.00 0.00 O ATOM 979 OD2 ASP A 65 -2.160 5.241 -14.242 1.00 0.00 O ATOM 0 H ASP A 65 -5.707 7.419 -11.701 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.007 4.560 -11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.052 5.538 -13.738 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.917 6.780 -13.250 1.00 0.00 H new ATOM 984 N PHE A 66 -3.038 4.818 -9.992 1.00 0.00 N ATOM 985 CA PHE A 66 -1.969 4.899 -9.006 1.00 0.00 C ATOM 986 C PHE A 66 -0.825 3.946 -9.412 1.00 0.00 C ATOM 987 O PHE A 66 -0.815 2.761 -9.041 1.00 0.00 O ATOM 988 CB PHE A 66 -2.546 4.571 -7.601 1.00 0.00 C ATOM 989 CG PHE A 66 -1.558 4.797 -6.451 1.00 0.00 C ATOM 990 CD1 PHE A 66 -1.229 6.091 -6.045 1.00 0.00 C ATOM 991 CD2 PHE A 66 -0.948 3.728 -5.795 1.00 0.00 C ATOM 992 CE1 PHE A 66 -0.325 6.302 -5.022 1.00 0.00 C ATOM 993 CE2 PHE A 66 -0.046 3.944 -4.770 1.00 0.00 C ATOM 994 CZ PHE A 66 0.269 5.231 -4.389 1.00 0.00 C ATOM 0 H PHE A 66 -3.386 3.870 -10.137 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.554 5.906 -8.965 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.431 5.184 -7.431 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.871 3.531 -7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.686 6.937 -6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.184 2.717 -6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.083 7.309 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.412 3.105 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.981 5.400 -3.595 1.00 0.00 H new ATOM 1004 N THR A 67 0.092 4.461 -10.249 1.00 0.00 N ATOM 1005 CA THR A 67 1.320 3.750 -10.633 1.00 0.00 C ATOM 1006 C THR A 67 2.464 4.170 -9.693 1.00 0.00 C ATOM 1007 O THR A 67 2.559 5.349 -9.333 1.00 0.00 O ATOM 1008 CB THR A 67 1.716 4.041 -12.126 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.951 5.441 -12.311 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.626 3.600 -13.107 1.00 0.00 C ATOM 0 H THR A 67 0.001 5.382 -10.677 1.00 0.00 H new ATOM 0 HA THR A 67 1.138 2.679 -10.544 1.00 0.00 H new ATOM 0 HB THR A 67 2.621 3.469 -12.330 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.198 5.611 -13.244 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.943 3.821 -14.126 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.456 2.528 -13.004 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.298 4.137 -12.890 1.00 0.00 H new ATOM 1018 N GLY A 68 3.334 3.212 -9.310 1.00 0.00 N ATOM 1019 CA GLY A 68 4.437 3.485 -8.383 1.00 0.00 C ATOM 1020 C GLY A 68 5.671 2.663 -8.709 1.00 0.00 C ATOM 1021 O GLY A 68 5.589 1.436 -8.779 1.00 0.00 O ATOM 0 H GLY A 68 3.289 2.245 -9.632 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.688 4.545 -8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.116 3.269 -7.364 1.00 0.00 H new ATOM 1025 N THR A 69 6.823 3.332 -8.900 1.00 0.00 N ATOM 1026 CA THR A 69 8.077 2.682 -9.296 1.00 0.00 C ATOM 1027 C THR A 69 8.883 2.296 -8.055 1.00 0.00 C ATOM 1028 O THR A 69 9.248 3.168 -7.268 1.00 0.00 O ATOM 1029 CB THR A 69 8.930 3.630 -10.200 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.120 4.128 -11.267 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.165 2.927 -10.793 1.00 0.00 C ATOM 0 H THR A 69 6.906 4.342 -8.783 1.00 0.00 H new ATOM 0 HA THR A 69 7.832 1.784 -9.863 1.00 0.00 H new ATOM 0 HB THR A 69 9.284 4.445 -9.569 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.208 5.103 -11.317 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.722 3.630 -11.412 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.804 2.571 -9.985 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.845 2.082 -11.402 1.00 0.00 H new ATOM 1039 N PHE A 70 9.194 0.996 -7.923 1.00 0.00 N ATOM 1040 CA PHE A 70 9.969 0.456 -6.800 1.00 0.00 C ATOM 1041 C PHE A 70 11.425 0.927 -6.882 1.00 0.00 C ATOM 1042 O PHE A 70 12.179 0.501 -7.765 1.00 0.00 O ATOM 1043 CB PHE A 70 9.901 -1.085 -6.780 1.00 0.00 C ATOM 1044 CG PHE A 70 8.484 -1.637 -6.617 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.848 -1.617 -5.376 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.788 -2.170 -7.699 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.571 -2.118 -5.223 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.509 -2.673 -7.544 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.906 -2.650 -6.304 1.00 0.00 C ATOM 0 H PHE A 70 8.911 0.287 -8.599 1.00 0.00 H new ATOM 0 HA PHE A 70 9.534 0.828 -5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.327 -1.470 -7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.522 -1.456 -5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.363 -1.203 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.254 -2.191 -8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.094 -2.092 -4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.983 -3.083 -8.393 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.910 -3.050 -6.181 1.00 0.00 H new ATOM 1059 N THR A 71 11.786 1.834 -5.971 1.00 0.00 N ATOM 1060 CA THR A 71 13.137 2.399 -5.880 1.00 0.00 C ATOM 1061 C THR A 71 14.042 1.525 -4.984 1.00 0.00 C ATOM 1062 O THR A 71 15.272 1.571 -5.101 1.00 0.00 O ATOM 1063 CB THR A 71 13.065 3.863 -5.342 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.236 3.903 -4.166 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.501 4.836 -6.396 1.00 0.00 C ATOM 0 H THR A 71 11.144 2.201 -5.269 1.00 0.00 H new ATOM 0 HA THR A 71 13.577 2.414 -6.877 1.00 0.00 H new ATOM 0 HB THR A 71 14.080 4.179 -5.102 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.192 4.822 -3.828 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.468 5.843 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.141 4.828 -7.278 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.494 4.526 -6.676 1.00 0.00 H new ATOM 1073 N ARG A 72 13.416 0.723 -4.096 1.00 0.00 N ATOM 1074 CA ARG A 72 14.130 -0.223 -3.223 1.00 0.00 C ATOM 1075 C ARG A 72 13.177 -1.353 -2.798 1.00 0.00 C ATOM 1076 O ARG A 72 12.156 -1.092 -2.167 1.00 0.00 O ATOM 1077 CB ARG A 72 14.704 0.512 -1.979 1.00 0.00 C ATOM 1078 CG ARG A 72 15.559 -0.362 -1.036 1.00 0.00 C ATOM 1079 CD ARG A 72 16.177 0.446 0.118 1.00 0.00 C ATOM 1080 NE ARG A 72 17.133 -0.353 0.923 1.00 0.00 N ATOM 1081 CZ ARG A 72 18.446 -0.098 1.059 1.00 0.00 C ATOM 1082 NH1 ARG A 72 19.006 0.934 0.436 1.00 0.00 N ATOM 1083 NH2 ARG A 72 19.193 -0.888 1.816 1.00 0.00 N ATOM 0 H ARG A 72 12.404 0.716 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 72 14.966 -0.656 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.310 1.351 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.874 0.930 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.941 -1.160 -0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.355 -0.838 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.689 1.319 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.382 0.815 0.765 1.00 0.00 H new ATOM 0 HE ARG A 72 16.762 -1.166 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.438 1.543 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.003 1.117 0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.771 -1.685 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.190 -0.699 1.922 1.00 0.00 H new ATOM 1097 N VAL A 73 13.511 -2.606 -3.163 1.00 0.00 N ATOM 1098 CA VAL A 73 12.753 -3.795 -2.726 1.00 0.00 C ATOM 1099 C VAL A 73 13.615 -4.593 -1.736 1.00 0.00 C ATOM 1100 O VAL A 73 14.477 -5.385 -2.146 1.00 0.00 O ATOM 1101 CB VAL A 73 12.319 -4.716 -3.932 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.494 -5.937 -3.434 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.545 -3.903 -5.000 1.00 0.00 C ATOM 0 H VAL A 73 14.307 -2.822 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 73 11.835 -3.453 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 73 13.222 -5.103 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.208 -6.555 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.098 -6.527 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.597 -5.586 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.257 -4.561 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.651 -3.471 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.182 -3.105 -5.381 1.00 0.00 H new ATOM 1113 N GLU A 74 13.392 -4.371 -0.437 1.00 0.00 N ATOM 1114 CA GLU A 74 14.165 -5.027 0.623 1.00 0.00 C ATOM 1115 C GLU A 74 13.255 -6.066 1.314 1.00 0.00 C ATOM 1116 O GLU A 74 12.814 -5.887 2.453 1.00 0.00 O ATOM 1117 CB GLU A 74 14.723 -3.958 1.606 1.00 0.00 C ATOM 1118 CG GLU A 74 15.765 -4.489 2.602 1.00 0.00 C ATOM 1119 CD GLU A 74 16.331 -3.397 3.507 1.00 0.00 C ATOM 1120 OE1 GLU A 74 17.300 -2.722 3.112 1.00 0.00 O ATOM 1121 OE2 GLU A 74 15.791 -3.182 4.606 1.00 0.00 O ATOM 0 H GLU A 74 12.674 -3.734 -0.091 1.00 0.00 H new ATOM 0 HA GLU A 74 15.029 -5.553 0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.171 -3.150 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.892 -3.528 2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.310 -5.265 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.581 -4.957 2.052 1.00 0.00 H new ATOM 1128 N ALA A 75 12.962 -7.151 0.569 1.00 0.00 N ATOM 1129 CA ALA A 75 12.035 -8.210 0.990 1.00 0.00 C ATOM 1130 C ALA A 75 12.582 -9.000 2.194 1.00 0.00 C ATOM 1131 O ALA A 75 13.748 -9.397 2.169 1.00 0.00 O ATOM 1132 CB ALA A 75 11.776 -9.168 -0.187 1.00 0.00 C ATOM 0 H ALA A 75 13.369 -7.314 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 75 11.102 -7.738 1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.088 -9.953 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.339 -8.614 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.717 -9.616 -0.505 1.00 0.00 H new ATOM 1138 N PRO A 76 11.767 -9.235 3.280 1.00 0.00 N ATOM 1139 CA PRO A 76 10.412 -8.661 3.494 1.00 0.00 C ATOM 1140 C PRO A 76 10.378 -7.531 4.560 1.00 0.00 C ATOM 1141 O PRO A 76 9.307 -7.183 5.057 1.00 0.00 O ATOM 1142 CB PRO A 76 9.662 -9.915 3.991 1.00 0.00 C ATOM 1143 CG PRO A 76 10.685 -10.665 4.813 1.00 0.00 C ATOM 1144 CD PRO A 76 12.072 -10.178 4.379 1.00 0.00 C ATOM 0 HA PRO A 76 9.999 -8.178 2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.792 -9.646 4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.302 -10.519 3.158 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.530 -10.483 5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.590 -11.739 4.656 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.601 -9.687 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.701 -11.001 4.041 1.00 0.00 H new ATOM 1152 N THR A 77 11.557 -6.969 4.889 1.00 0.00 N ATOM 1153 CA THR A 77 11.716 -6.030 6.011 1.00 0.00 C ATOM 1154 C THR A 77 11.146 -4.638 5.696 1.00 0.00 C ATOM 1155 O THR A 77 10.526 -4.009 6.557 1.00 0.00 O ATOM 1156 CB THR A 77 13.225 -5.903 6.406 1.00 0.00 C ATOM 1157 OG1 THR A 77 14.015 -5.587 5.251 1.00 0.00 O ATOM 1158 CG2 THR A 77 13.759 -7.189 7.046 1.00 0.00 C ATOM 0 H THR A 77 12.424 -7.154 4.384 1.00 0.00 H new ATOM 0 HA THR A 77 11.148 -6.438 6.847 1.00 0.00 H new ATOM 0 HB THR A 77 13.300 -5.100 7.140 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.473 -4.732 5.392 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.810 -7.058 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.188 -7.411 7.948 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.660 -8.015 6.341 1.00 0.00 H new ATOM 1166 N ARG A 78 11.359 -4.162 4.461 1.00 0.00 N ATOM 1167 CA ARG A 78 10.977 -2.805 4.056 1.00 0.00 C ATOM 1168 C ARG A 78 10.838 -2.713 2.525 1.00 0.00 C ATOM 1169 O ARG A 78 11.475 -3.455 1.782 1.00 0.00 O ATOM 1170 CB ARG A 78 12.025 -1.799 4.604 1.00 0.00 C ATOM 1171 CG ARG A 78 11.696 -0.310 4.383 1.00 0.00 C ATOM 1172 CD ARG A 78 12.700 0.638 5.054 1.00 0.00 C ATOM 1173 NE ARG A 78 12.435 2.050 4.712 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.043 2.742 3.737 1.00 0.00 C ATOM 1175 NH1 ARG A 78 13.965 2.171 2.977 1.00 0.00 N ATOM 1176 NH2 ARG A 78 12.722 4.004 3.524 1.00 0.00 N ATOM 0 H ARG A 78 11.799 -4.706 3.719 1.00 0.00 H new ATOM 0 HA ARG A 78 10.003 -2.554 4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.144 -1.972 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.987 -2.013 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.672 -0.105 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.698 -0.104 4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.653 0.511 6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.711 0.373 4.746 1.00 0.00 H new ATOM 0 HE ARG A 78 11.731 2.540 5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.219 1.195 3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.421 2.707 2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.011 4.454 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.185 4.530 2.782 1.00 0.00 H new ATOM 1190 N LEU A 79 9.994 -1.785 2.075 1.00 0.00 N ATOM 1191 CA LEU A 79 9.694 -1.551 0.662 1.00 0.00 C ATOM 1192 C LEU A 79 9.579 -0.035 0.414 1.00 0.00 C ATOM 1193 O LEU A 79 8.920 0.664 1.172 1.00 0.00 O ATOM 1194 CB LEU A 79 8.383 -2.283 0.268 1.00 0.00 C ATOM 1195 CG LEU A 79 7.988 -2.203 -1.237 1.00 0.00 C ATOM 1196 CD1 LEU A 79 9.116 -2.759 -2.148 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.641 -2.926 -1.489 1.00 0.00 C ATOM 0 H LEU A 79 9.486 -1.158 2.699 1.00 0.00 H new ATOM 0 HA LEU A 79 10.498 -1.948 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.479 -3.333 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.567 -1.871 0.861 1.00 0.00 H new ATOM 0 HG LEU A 79 7.855 -1.153 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.809 -2.689 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.025 -2.177 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.307 -3.802 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.384 -2.858 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.732 -3.974 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.858 -2.455 -0.894 1.00 0.00 H new ATOM 1209 N SER A 80 10.238 0.455 -0.638 1.00 0.00 N ATOM 1210 CA SER A 80 10.241 1.872 -1.018 1.00 0.00 C ATOM 1211 C SER A 80 9.895 1.993 -2.510 1.00 0.00 C ATOM 1212 O SER A 80 10.438 1.252 -3.347 1.00 0.00 O ATOM 1213 CB SER A 80 11.627 2.492 -0.725 1.00 0.00 C ATOM 1214 OG SER A 80 11.710 3.845 -1.150 1.00 0.00 O ATOM 0 H SER A 80 10.794 -0.130 -1.261 1.00 0.00 H new ATOM 0 HA SER A 80 9.496 2.414 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.830 2.436 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.398 1.907 -1.227 1.00 0.00 H new ATOM 0 HG SER A 80 11.864 3.875 -2.117 1.00 0.00 H new ATOM 1220 N PHE A 81 8.996 2.936 -2.820 1.00 0.00 N ATOM 1221 CA PHE A 81 8.514 3.190 -4.179 1.00 0.00 C ATOM 1222 C PHE A 81 7.994 4.631 -4.285 1.00 0.00 C ATOM 1223 O PHE A 81 7.511 5.185 -3.309 1.00 0.00 O ATOM 1224 CB PHE A 81 7.411 2.165 -4.592 1.00 0.00 C ATOM 1225 CG PHE A 81 6.209 2.058 -3.636 1.00 0.00 C ATOM 1226 CD1 PHE A 81 6.218 1.147 -2.577 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.073 2.855 -3.805 1.00 0.00 C ATOM 1228 CE1 PHE A 81 5.136 1.035 -1.728 1.00 0.00 C ATOM 1229 CE2 PHE A 81 3.993 2.740 -2.952 1.00 0.00 C ATOM 1230 CZ PHE A 81 4.024 1.831 -1.914 1.00 0.00 C ATOM 0 H PHE A 81 8.579 3.551 -2.122 1.00 0.00 H new ATOM 0 HA PHE A 81 9.347 3.064 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.042 2.435 -5.582 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.870 1.180 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.084 0.521 -2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.040 3.570 -4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.159 0.323 -0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.123 3.363 -3.097 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.179 1.743 -1.248 1.00 0.00 H new ATOM 1240 N VAL A 82 8.070 5.221 -5.487 1.00 0.00 N ATOM 1241 CA VAL A 82 7.603 6.603 -5.747 1.00 0.00 C ATOM 1242 C VAL A 82 6.373 6.546 -6.656 1.00 0.00 C ATOM 1243 O VAL A 82 6.420 5.890 -7.687 1.00 0.00 O ATOM 1244 CB VAL A 82 8.708 7.499 -6.438 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.221 8.966 -6.615 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.034 7.439 -5.654 1.00 0.00 C ATOM 0 H VAL A 82 8.456 4.759 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 82 7.367 7.057 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 82 8.889 7.095 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.004 9.554 -7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.326 8.980 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.991 9.393 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.778 8.063 -6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.873 7.802 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.390 6.409 -5.619 1.00 0.00 H new ATOM 1256 N MET A 83 5.297 7.251 -6.290 1.00 0.00 N ATOM 1257 CA MET A 83 4.065 7.291 -7.095 1.00 0.00 C ATOM 1258 C MET A 83 4.264 8.228 -8.307 1.00 0.00 C ATOM 1259 O MET A 83 5.207 9.026 -8.327 1.00 0.00 O ATOM 1260 CB MET A 83 2.877 7.772 -6.225 1.00 0.00 C ATOM 1261 CG MET A 83 2.912 9.265 -5.855 1.00 0.00 C ATOM 1262 SD MET A 83 1.537 9.774 -4.802 1.00 0.00 S ATOM 1263 CE MET A 83 1.900 8.929 -3.264 1.00 0.00 C ATOM 0 H MET A 83 5.252 7.806 -5.436 1.00 0.00 H new ATOM 0 HA MET A 83 3.841 6.289 -7.460 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.948 7.565 -6.757 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.856 7.185 -5.307 1.00 0.00 H new ATOM 0 HG2 MET A 83 3.851 9.484 -5.346 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.899 9.859 -6.769 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.310 9.368 -2.460 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.651 7.872 -3.362 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.960 9.032 -3.034 1.00 0.00 H new ATOM 1273 N ASP A 84 3.357 8.157 -9.298 1.00 0.00 N ATOM 1274 CA ASP A 84 3.454 8.982 -10.532 1.00 0.00 C ATOM 1275 C ASP A 84 3.161 10.471 -10.253 1.00 0.00 C ATOM 1276 O ASP A 84 3.559 11.338 -11.034 1.00 0.00 O ATOM 1277 CB ASP A 84 2.511 8.450 -11.643 1.00 0.00 C ATOM 1278 CG ASP A 84 1.027 8.503 -11.255 1.00 0.00 C ATOM 1279 OD1 ASP A 84 0.531 7.551 -10.612 1.00 0.00 O ATOM 1280 OD2 ASP A 84 0.352 9.499 -11.581 1.00 0.00 O ATOM 0 H ASP A 84 2.546 7.539 -9.275 1.00 0.00 H new ATOM 0 HA ASP A 84 4.483 8.902 -10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.663 9.035 -12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.782 7.421 -11.878 1.00 0.00 H new ATOM 1285 N ASP A 85 2.472 10.759 -9.129 1.00 0.00 N ATOM 1286 CA ASP A 85 2.208 12.142 -8.666 1.00 0.00 C ATOM 1287 C ASP A 85 3.507 12.788 -8.087 1.00 0.00 C ATOM 1288 O ASP A 85 3.550 13.984 -7.775 1.00 0.00 O ATOM 1289 CB ASP A 85 1.056 12.116 -7.624 1.00 0.00 C ATOM 1290 CG ASP A 85 0.551 13.508 -7.204 1.00 0.00 C ATOM 1291 OD1 ASP A 85 0.218 14.331 -8.093 1.00 0.00 O ATOM 1292 OD2 ASP A 85 0.455 13.776 -5.989 1.00 0.00 O ATOM 0 H ASP A 85 2.083 10.042 -8.516 1.00 0.00 H new ATOM 0 HA ASP A 85 1.898 12.761 -9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.222 11.549 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.396 11.583 -6.736 1.00 0.00 H new ATOM 1297 N GLY A 86 4.574 11.961 -7.962 1.00 0.00 N ATOM 1298 CA GLY A 86 5.921 12.423 -7.606 1.00 0.00 C ATOM 1299 C GLY A 86 6.288 12.235 -6.139 1.00 0.00 C ATOM 1300 O GLY A 86 7.436 12.468 -5.764 1.00 0.00 O ATOM 0 H GLY A 86 4.515 10.953 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.648 11.891 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.006 13.481 -7.856 1.00 0.00 H new ATOM 1304 N ARG A 87 5.316 11.830 -5.307 1.00 0.00 N ATOM 1305 CA ARG A 87 5.518 11.670 -3.844 1.00 0.00 C ATOM 1306 C ARG A 87 6.062 10.257 -3.532 1.00 0.00 C ATOM 1307 O ARG A 87 5.590 9.270 -4.100 1.00 0.00 O ATOM 1308 CB ARG A 87 4.190 11.932 -3.055 1.00 0.00 C ATOM 1309 CG ARG A 87 3.680 13.404 -3.015 1.00 0.00 C ATOM 1310 CD ARG A 87 3.358 13.982 -4.402 1.00 0.00 C ATOM 1311 NE ARG A 87 2.601 15.252 -4.349 1.00 0.00 N ATOM 1312 CZ ARG A 87 3.124 16.481 -4.408 1.00 0.00 C ATOM 1313 NH1 ARG A 87 4.429 16.668 -4.526 1.00 0.00 N ATOM 1314 NH2 ARG A 87 2.321 17.533 -4.392 1.00 0.00 N ATOM 0 H ARG A 87 4.372 11.604 -5.619 1.00 0.00 H new ATOM 0 HA ARG A 87 6.250 12.410 -3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.407 11.312 -3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.331 11.592 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.786 13.453 -2.394 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.435 14.028 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.289 14.145 -4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.784 13.249 -4.968 1.00 0.00 H new ATOM 0 HE ARG A 87 1.587 15.184 -4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.057 15.866 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.807 17.614 -4.569 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.311 17.403 -4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.712 18.474 -4.437 1.00 0.00 H new ATOM 1328 N GLU A 88 7.044 10.179 -2.619 1.00 0.00 N ATOM 1329 CA GLU A 88 7.682 8.901 -2.211 1.00 0.00 C ATOM 1330 C GLU A 88 6.836 8.224 -1.125 1.00 0.00 C ATOM 1331 O GLU A 88 6.256 8.904 -0.283 1.00 0.00 O ATOM 1332 CB GLU A 88 9.124 9.133 -1.658 1.00 0.00 C ATOM 1333 CG GLU A 88 10.147 9.742 -2.643 1.00 0.00 C ATOM 1334 CD GLU A 88 9.824 11.177 -3.080 1.00 0.00 C ATOM 1335 OE1 GLU A 88 9.732 12.061 -2.207 1.00 0.00 O ATOM 1336 OE2 GLU A 88 9.662 11.430 -4.285 1.00 0.00 O ATOM 0 H GLU A 88 7.423 10.995 -2.139 1.00 0.00 H new ATOM 0 HA GLU A 88 7.747 8.265 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.056 9.787 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.514 8.177 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.133 9.729 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.203 9.109 -3.528 1.00 0.00 H new ATOM 1343 N VAL A 89 6.768 6.891 -1.148 1.00 0.00 N ATOM 1344 CA VAL A 89 6.055 6.090 -0.139 1.00 0.00 C ATOM 1345 C VAL A 89 6.984 4.949 0.304 1.00 0.00 C ATOM 1346 O VAL A 89 7.416 4.130 -0.515 1.00 0.00 O ATOM 1347 CB VAL A 89 4.700 5.487 -0.682 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.926 4.718 0.427 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.807 6.573 -1.341 1.00 0.00 C ATOM 0 H VAL A 89 7.210 6.327 -1.874 1.00 0.00 H new ATOM 0 HA VAL A 89 5.795 6.743 0.694 1.00 0.00 H new ATOM 0 HB VAL A 89 4.963 4.767 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.000 4.318 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.541 3.898 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.694 5.398 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.885 6.117 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.568 7.342 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.340 7.023 -2.178 1.00 0.00 H new ATOM 1359 N ASP A 90 7.283 4.914 1.600 1.00 0.00 N ATOM 1360 CA ASP A 90 8.161 3.924 2.218 1.00 0.00 C ATOM 1361 C ASP A 90 7.312 3.105 3.195 1.00 0.00 C ATOM 1362 O ASP A 90 6.872 3.628 4.216 1.00 0.00 O ATOM 1363 CB ASP A 90 9.322 4.636 2.967 1.00 0.00 C ATOM 1364 CG ASP A 90 10.081 5.659 2.099 1.00 0.00 C ATOM 1365 OD1 ASP A 90 11.041 5.277 1.400 1.00 0.00 O ATOM 1366 OD2 ASP A 90 9.710 6.857 2.109 1.00 0.00 O ATOM 0 H ASP A 90 6.912 5.591 2.267 1.00 0.00 H new ATOM 0 HA ASP A 90 8.603 3.273 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.920 5.143 3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.025 3.885 3.327 1.00 0.00 H new ATOM 1371 N VAL A 91 7.024 1.854 2.837 1.00 0.00 N ATOM 1372 CA VAL A 91 6.276 0.892 3.669 1.00 0.00 C ATOM 1373 C VAL A 91 7.275 -0.061 4.361 1.00 0.00 C ATOM 1374 O VAL A 91 8.359 -0.282 3.849 1.00 0.00 O ATOM 1375 CB VAL A 91 5.234 0.093 2.802 1.00 0.00 C ATOM 1376 CG1 VAL A 91 4.311 -0.785 3.694 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.410 1.064 1.911 1.00 0.00 C ATOM 0 H VAL A 91 7.309 1.465 1.938 1.00 0.00 H new ATOM 0 HA VAL A 91 5.714 1.432 4.431 1.00 0.00 H new ATOM 0 HB VAL A 91 5.783 -0.583 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.603 -1.324 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.917 -1.499 4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.766 -0.148 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.694 0.495 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.875 1.773 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.082 1.606 1.246 1.00 0.00 H new ATOM 1387 N GLN A 92 6.926 -0.588 5.539 1.00 0.00 N ATOM 1388 CA GLN A 92 7.830 -1.392 6.376 1.00 0.00 C ATOM 1389 C GLN A 92 7.034 -2.487 7.087 1.00 0.00 C ATOM 1390 O GLN A 92 5.901 -2.253 7.517 1.00 0.00 O ATOM 1391 CB GLN A 92 8.542 -0.474 7.394 1.00 0.00 C ATOM 1392 CG GLN A 92 9.595 -1.158 8.283 1.00 0.00 C ATOM 1393 CD GLN A 92 10.366 -0.161 9.149 1.00 0.00 C ATOM 1394 OE1 GLN A 92 11.413 0.342 8.752 1.00 0.00 O ATOM 1395 NE2 GLN A 92 9.844 0.137 10.328 1.00 0.00 N ATOM 0 H GLN A 92 5.998 -0.468 5.945 1.00 0.00 H new ATOM 0 HA GLN A 92 8.587 -1.869 5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.024 0.337 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.788 -0.021 8.038 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.104 -1.889 8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.296 -1.706 7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.972 -0.301 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.314 0.805 10.940 1.00 0.00 H new ATOM 1404 N PHE A 93 7.631 -3.686 7.176 1.00 0.00 N ATOM 1405 CA PHE A 93 7.023 -4.868 7.801 1.00 0.00 C ATOM 1406 C PHE A 93 8.014 -5.433 8.824 1.00 0.00 C ATOM 1407 O PHE A 93 9.153 -5.774 8.473 1.00 0.00 O ATOM 1408 CB PHE A 93 6.679 -5.948 6.736 1.00 0.00 C ATOM 1409 CG PHE A 93 5.826 -5.429 5.580 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.419 -4.864 4.451 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.435 -5.476 5.633 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.651 -4.375 3.418 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.671 -4.985 4.598 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.281 -4.436 3.495 1.00 0.00 C ATOM 0 H PHE A 93 8.566 -3.863 6.809 1.00 0.00 H new ATOM 0 HA PHE A 93 6.093 -4.582 8.292 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.606 -6.357 6.335 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.153 -6.769 7.223 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.496 -4.809 4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.949 -5.903 6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.125 -3.944 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.593 -5.031 4.653 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.680 -4.051 2.685 1.00 0.00 H new ATOM 1424 N ALA A 94 7.583 -5.518 10.084 1.00 0.00 N ATOM 1425 CA ALA A 94 8.386 -6.067 11.181 1.00 0.00 C ATOM 1426 C ALA A 94 7.521 -6.998 12.033 1.00 0.00 C ATOM 1427 O ALA A 94 6.439 -6.609 12.459 1.00 0.00 O ATOM 1428 CB ALA A 94 8.967 -4.925 12.028 1.00 0.00 C ATOM 0 H ALA A 94 6.657 -5.205 10.376 1.00 0.00 H new ATOM 0 HA ALA A 94 9.217 -6.643 10.774 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.562 -5.341 12.841 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.598 -4.293 11.403 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.154 -4.329 12.442 1.00 0.00 H new ATOM 1434 N SER A 95 8.006 -8.223 12.267 1.00 0.00 N ATOM 1435 CA SER A 95 7.325 -9.221 13.107 1.00 0.00 C ATOM 1436 C SER A 95 7.313 -8.758 14.585 1.00 0.00 C ATOM 1437 O SER A 95 8.271 -8.138 15.053 1.00 0.00 O ATOM 1438 CB SER A 95 8.048 -10.579 12.972 1.00 0.00 C ATOM 1439 OG SER A 95 8.026 -11.039 11.637 1.00 0.00 O ATOM 0 H SER A 95 8.888 -8.554 11.877 1.00 0.00 H new ATOM 0 HA SER A 95 6.292 -9.330 12.776 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.080 -10.479 13.308 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.571 -11.314 13.621 1.00 0.00 H new ATOM 0 HG SER A 95 8.492 -11.899 11.580 1.00 0.00 H new ATOM 1445 N GLU A 96 6.224 -9.066 15.305 1.00 0.00 N ATOM 1446 CA GLU A 96 6.041 -8.679 16.719 1.00 0.00 C ATOM 1447 C GLU A 96 5.358 -9.823 17.508 1.00 0.00 C ATOM 1448 O GLU A 96 4.715 -10.684 16.898 1.00 0.00 O ATOM 1449 CB GLU A 96 5.194 -7.382 16.813 1.00 0.00 C ATOM 1450 CG GLU A 96 3.785 -7.479 16.189 1.00 0.00 C ATOM 1451 CD GLU A 96 2.889 -6.285 16.533 1.00 0.00 C ATOM 1452 OE1 GLU A 96 3.334 -5.140 16.374 1.00 0.00 O ATOM 1453 OE2 GLU A 96 1.738 -6.481 16.966 1.00 0.00 O ATOM 0 H GLU A 96 5.439 -9.594 14.924 1.00 0.00 H new ATOM 0 HA GLU A 96 7.021 -8.492 17.158 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.092 -7.107 17.863 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.738 -6.574 16.323 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.879 -7.554 15.106 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.305 -8.396 16.532 1.00 0.00 H new ATOM 1460 N PRO A 97 5.490 -9.870 18.878 1.00 0.00 N ATOM 1461 CA PRO A 97 4.737 -10.833 19.709 1.00 0.00 C ATOM 1462 C PRO A 97 3.217 -10.539 19.660 1.00 0.00 C ATOM 1463 O PRO A 97 2.700 -9.700 20.408 1.00 0.00 O ATOM 1464 CB PRO A 97 5.353 -10.666 21.128 1.00 0.00 C ATOM 1465 CG PRO A 97 5.964 -9.297 21.129 1.00 0.00 C ATOM 1466 CD PRO A 97 6.399 -9.027 19.702 1.00 0.00 C ATOM 0 HA PRO A 97 4.820 -11.863 19.363 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.591 -10.758 21.902 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.102 -11.433 21.325 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.245 -8.550 21.465 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.813 -9.250 21.810 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.302 -7.971 19.449 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.443 -9.297 19.546 1.00 0.00 H new ATOM 1474 N GLY A 98 2.540 -11.187 18.694 1.00 0.00 N ATOM 1475 CA GLY A 98 1.105 -11.006 18.457 1.00 0.00 C ATOM 1476 C GLY A 98 0.750 -11.136 16.980 1.00 0.00 C ATOM 1477 O GLY A 98 -0.358 -11.579 16.638 1.00 0.00 O ATOM 0 H GLY A 98 2.979 -11.852 18.057 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.547 -11.746 19.031 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.799 -10.024 18.819 1.00 0.00 H new ATOM 1481 N GLY A 99 1.703 -10.769 16.100 1.00 0.00 N ATOM 1482 CA GLY A 99 1.469 -10.756 14.654 1.00 0.00 C ATOM 1483 C GLY A 99 2.598 -10.052 13.905 1.00 0.00 C ATOM 1484 O GLY A 99 3.767 -10.365 14.121 1.00 0.00 O ATOM 0 H GLY A 99 2.642 -10.478 16.373 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.375 -11.780 14.291 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.524 -10.255 14.443 1.00 0.00 H new ATOM 1488 N THR A 100 2.244 -9.073 13.060 1.00 0.00 N ATOM 1489 CA THR A 100 3.189 -8.299 12.242 1.00 0.00 C ATOM 1490 C THR A 100 2.779 -6.819 12.244 1.00 0.00 C ATOM 1491 O THR A 100 1.652 -6.474 11.879 1.00 0.00 O ATOM 1492 CB THR A 100 3.251 -8.827 10.772 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.724 -10.178 10.781 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.163 -7.965 9.869 1.00 0.00 C ATOM 0 H THR A 100 1.273 -8.791 12.923 1.00 0.00 H new ATOM 0 HA THR A 100 4.181 -8.412 12.678 1.00 0.00 H new ATOM 0 HB THR A 100 2.244 -8.772 10.358 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.968 -10.788 10.909 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.169 -8.377 8.860 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.786 -6.943 9.842 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.177 -7.967 10.268 1.00 0.00 H new ATOM 1502 N TRP A 101 3.716 -5.964 12.640 1.00 0.00 N ATOM 1503 CA TRP A 101 3.564 -4.513 12.602 1.00 0.00 C ATOM 1504 C TRP A 101 3.848 -4.015 11.181 1.00 0.00 C ATOM 1505 O TRP A 101 4.972 -4.155 10.678 1.00 0.00 O ATOM 1506 CB TRP A 101 4.548 -3.870 13.602 1.00 0.00 C ATOM 1507 CG TRP A 101 4.594 -2.358 13.579 1.00 0.00 C ATOM 1508 CD1 TRP A 101 3.556 -1.480 13.736 1.00 0.00 C ATOM 1509 CD2 TRP A 101 5.767 -1.564 13.396 1.00 0.00 C ATOM 1510 NE1 TRP A 101 4.023 -0.192 13.650 1.00 0.00 N ATOM 1511 CE2 TRP A 101 5.378 -0.221 13.450 1.00 0.00 C ATOM 1512 CE3 TRP A 101 7.109 -1.873 13.194 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 6.290 0.814 13.309 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 8.017 -0.848 13.055 1.00 0.00 C ATOM 1515 CH2 TRP A 101 7.605 0.485 13.111 1.00 0.00 C ATOM 0 H TRP A 101 4.620 -6.266 13.003 1.00 0.00 H new ATOM 0 HA TRP A 101 2.547 -4.236 12.880 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.282 -4.194 14.608 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.549 -4.251 13.398 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.526 -1.758 13.902 1.00 0.00 H new ATOM 0 HE1 TRP A 101 3.453 0.651 13.723 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.433 -2.902 13.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 5.974 1.846 13.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 9.061 -1.078 12.901 1.00 0.00 H new ATOM 0 HH2 TRP A 101 8.337 1.271 12.996 1.00 0.00 H new ATOM 1526 N VAL A 102 2.820 -3.463 10.534 1.00 0.00 N ATOM 1527 CA VAL A 102 2.955 -2.815 9.228 1.00 0.00 C ATOM 1528 C VAL A 102 2.926 -1.296 9.437 1.00 0.00 C ATOM 1529 O VAL A 102 1.925 -0.749 9.888 1.00 0.00 O ATOM 1530 CB VAL A 102 1.815 -3.242 8.233 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.043 -2.638 6.818 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.675 -4.786 8.182 1.00 0.00 C ATOM 0 H VAL A 102 1.869 -3.453 10.902 1.00 0.00 H new ATOM 0 HA VAL A 102 3.899 -3.127 8.782 1.00 0.00 H new ATOM 0 HB VAL A 102 0.874 -2.838 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.238 -2.952 6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.055 -1.550 6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.997 -2.988 6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.880 -5.057 7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.615 -5.226 7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.432 -5.162 9.176 1.00 0.00 H new ATOM 1542 N GLN A 103 4.039 -0.644 9.115 1.00 0.00 N ATOM 1543 CA GLN A 103 4.165 0.816 9.123 1.00 0.00 C ATOM 1544 C GLN A 103 4.125 1.278 7.670 1.00 0.00 C ATOM 1545 O GLN A 103 4.820 0.707 6.836 1.00 0.00 O ATOM 1546 CB GLN A 103 5.510 1.242 9.770 1.00 0.00 C ATOM 1547 CG GLN A 103 5.724 2.770 9.876 1.00 0.00 C ATOM 1548 CD GLN A 103 7.117 3.152 10.384 1.00 0.00 C ATOM 1549 OE1 GLN A 103 7.341 3.309 11.575 1.00 0.00 O ATOM 1550 NE2 GLN A 103 8.064 3.289 9.474 1.00 0.00 N ATOM 0 H GLN A 103 4.896 -1.121 8.836 1.00 0.00 H new ATOM 0 HA GLN A 103 3.358 1.264 9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.569 0.811 10.769 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.328 0.814 9.190 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.566 3.221 8.896 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.973 3.190 10.545 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.847 3.152 8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.013 3.532 9.758 1.00 0.00 H new ATOM 1559 N GLU A 104 3.311 2.280 7.355 1.00 0.00 N ATOM 1560 CA GLU A 104 3.315 2.910 6.028 1.00 0.00 C ATOM 1561 C GLU A 104 3.536 4.413 6.180 1.00 0.00 C ATOM 1562 O GLU A 104 2.709 5.131 6.725 1.00 0.00 O ATOM 1563 CB GLU A 104 2.014 2.603 5.242 1.00 0.00 C ATOM 1564 CG GLU A 104 1.880 3.360 3.899 1.00 0.00 C ATOM 1565 CD GLU A 104 0.781 2.801 2.977 1.00 0.00 C ATOM 1566 OE1 GLU A 104 -0.413 2.830 3.367 1.00 0.00 O ATOM 1567 OE2 GLU A 104 1.109 2.336 1.859 1.00 0.00 O ATOM 0 H GLU A 104 2.632 2.680 8.003 1.00 0.00 H new ATOM 0 HA GLU A 104 4.134 2.490 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.967 1.532 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.158 2.850 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.670 4.410 4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.835 3.322 3.375 1.00 0.00 H new ATOM 1574 N THR A 105 4.688 4.867 5.713 1.00 0.00 N ATOM 1575 CA THR A 105 5.003 6.278 5.605 1.00 0.00 C ATOM 1576 C THR A 105 4.801 6.672 4.149 1.00 0.00 C ATOM 1577 O THR A 105 5.289 5.991 3.252 1.00 0.00 O ATOM 1578 CB THR A 105 6.463 6.577 6.054 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.647 6.105 7.402 1.00 0.00 O ATOM 1580 CG2 THR A 105 6.808 8.089 5.973 1.00 0.00 C ATOM 0 H THR A 105 5.439 4.255 5.394 1.00 0.00 H new ATOM 0 HA THR A 105 4.353 6.856 6.262 1.00 0.00 H new ATOM 0 HB THR A 105 7.136 6.057 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.355 6.796 8.033 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.837 8.245 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.695 8.434 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.135 8.651 6.620 1.00 0.00 H new ATOM 1588 N PHE A 106 4.040 7.726 3.921 1.00 0.00 N ATOM 1589 CA PHE A 106 3.801 8.287 2.592 1.00 0.00 C ATOM 1590 C PHE A 106 4.085 9.777 2.660 1.00 0.00 C ATOM 1591 O PHE A 106 3.794 10.418 3.673 1.00 0.00 O ATOM 1592 CB PHE A 106 2.341 8.016 2.120 1.00 0.00 C ATOM 1593 CG PHE A 106 1.252 8.540 3.076 1.00 0.00 C ATOM 1594 CD1 PHE A 106 0.861 7.790 4.188 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.640 9.782 2.871 1.00 0.00 C ATOM 1596 CE1 PHE A 106 -0.103 8.263 5.058 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.324 10.251 3.745 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.696 9.489 4.834 1.00 0.00 C ATOM 0 H PHE A 106 3.558 8.231 4.665 1.00 0.00 H new ATOM 0 HA PHE A 106 4.458 7.812 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.198 8.474 1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.208 6.942 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.318 6.828 4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.924 10.382 2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.393 7.672 5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.785 11.213 3.575 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.453 9.853 5.513 1.00 0.00 H new ATOM 1608 N ASP A 107 4.670 10.333 1.597 1.00 0.00 N ATOM 1609 CA ASP A 107 4.898 11.774 1.513 1.00 0.00 C ATOM 1610 C ASP A 107 3.606 12.419 1.023 1.00 0.00 C ATOM 1611 O ASP A 107 2.984 11.954 0.064 1.00 0.00 O ATOM 1612 CB ASP A 107 6.099 12.146 0.606 1.00 0.00 C ATOM 1613 CG ASP A 107 6.479 13.635 0.755 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.203 13.986 1.716 1.00 0.00 O ATOM 1615 OD2 ASP A 107 6.026 14.465 -0.056 1.00 0.00 O ATOM 0 H ASP A 107 4.993 9.807 0.785 1.00 0.00 H new ATOM 0 HA ASP A 107 5.164 12.150 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.956 11.523 0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.850 11.935 -0.434 1.00 0.00 H new ATOM 1620 N ALA A 108 3.219 13.473 1.705 1.00 0.00 N ATOM 1621 CA ALA A 108 1.967 14.186 1.491 1.00 0.00 C ATOM 1622 C ALA A 108 2.288 15.640 1.126 1.00 0.00 C ATOM 1623 O ALA A 108 3.439 16.091 1.260 1.00 0.00 O ATOM 1624 CB ALA A 108 1.089 14.088 2.752 1.00 0.00 C ATOM 0 H ALA A 108 3.784 13.877 2.452 1.00 0.00 H new ATOM 0 HA ALA A 108 1.405 13.740 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.154 14.623 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.875 13.041 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.616 14.531 3.597 1.00 0.00 H new ATOM 1630 N GLU A 109 1.277 16.373 0.682 1.00 0.00 N ATOM 1631 CA GLU A 109 1.446 17.730 0.131 1.00 0.00 C ATOM 1632 C GLU A 109 0.643 18.744 0.943 1.00 0.00 C ATOM 1633 O GLU A 109 -0.393 18.398 1.512 1.00 0.00 O ATOM 1634 CB GLU A 109 1.002 17.731 -1.349 1.00 0.00 C ATOM 1635 CG GLU A 109 -0.415 17.178 -1.586 1.00 0.00 C ATOM 1636 CD GLU A 109 -0.803 17.098 -3.066 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -0.284 16.212 -3.776 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -1.617 17.917 -3.528 1.00 0.00 O ATOM 0 H GLU A 109 0.309 16.051 0.689 1.00 0.00 H new ATOM 0 HA GLU A 109 2.495 18.019 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 109 1.049 18.751 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.711 17.141 -1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.486 16.183 -1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.134 17.809 -1.064 1.00 0.00 H new ATOM 1645 N THR A 110 1.122 19.996 1.003 1.00 0.00 N ATOM 1646 CA THR A 110 0.403 21.084 1.691 1.00 0.00 C ATOM 1647 C THR A 110 -0.733 21.667 0.819 1.00 0.00 C ATOM 1648 O THR A 110 -1.517 22.489 1.297 1.00 0.00 O ATOM 1649 CB THR A 110 1.386 22.216 2.117 1.00 0.00 C ATOM 1650 OG1 THR A 110 2.129 22.664 0.966 1.00 0.00 O ATOM 1651 CG2 THR A 110 2.368 21.748 3.215 1.00 0.00 C ATOM 0 H THR A 110 2.006 20.282 0.583 1.00 0.00 H new ATOM 0 HA THR A 110 -0.049 20.653 2.584 1.00 0.00 H new ATOM 0 HB THR A 110 0.794 23.034 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.746 23.377 1.232 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.034 22.569 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.807 21.436 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.956 20.909 2.843 1.00 0.00 H new ATOM 1659 N SER A 111 -0.844 21.207 -0.449 1.00 0.00 N ATOM 1660 CA SER A 111 -1.905 21.633 -1.376 1.00 0.00 C ATOM 1661 C SER A 111 -3.125 20.679 -1.261 1.00 0.00 C ATOM 1662 O SER A 111 -4.148 20.871 -1.928 1.00 0.00 O ATOM 1663 CB SER A 111 -1.335 21.717 -2.819 1.00 0.00 C ATOM 1664 OG SER A 111 -0.583 20.562 -3.147 1.00 0.00 O ATOM 0 H SER A 111 -0.197 20.530 -0.853 1.00 0.00 H new ATOM 0 HA SER A 111 -2.259 22.630 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.154 21.833 -3.529 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.705 22.602 -2.912 1.00 0.00 H new ATOM 0 HG SER A 111 -1.183 19.790 -3.216 1.00 0.00 H new ATOM 1670 N HIS A 112 -2.992 19.642 -0.407 1.00 0.00 N ATOM 1671 CA HIS A 112 -4.122 18.867 0.132 1.00 0.00 C ATOM 1672 C HIS A 112 -4.077 18.961 1.667 1.00 0.00 C ATOM 1673 O HIS A 112 -3.010 19.182 2.245 1.00 0.00 O ATOM 1674 CB HIS A 112 -4.064 17.377 -0.294 1.00 0.00 C ATOM 1675 CG HIS A 112 -4.296 17.078 -1.752 1.00 0.00 C ATOM 1676 ND1 HIS A 112 -3.863 15.908 -2.341 1.00 0.00 N ATOM 1677 CD2 HIS A 112 -4.942 17.760 -2.720 1.00 0.00 C ATOM 1678 CE1 HIS A 112 -4.236 15.888 -3.603 1.00 0.00 C ATOM 1679 NE2 HIS A 112 -4.891 17.000 -3.859 1.00 0.00 N ATOM 0 H HIS A 112 -2.085 19.318 -0.071 1.00 0.00 H new ATOM 0 HA HIS A 112 -5.049 19.282 -0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -3.086 16.983 -0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.805 16.828 0.287 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -5.413 18.727 -2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -4.038 15.094 -4.308 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -5.296 17.255 -4.760 1.00 0.00 H new ATOM 1688 N THR A 113 -5.244 18.811 2.309 1.00 0.00 N ATOM 1689 CA THR A 113 -5.356 18.828 3.777 1.00 0.00 C ATOM 1690 C THR A 113 -4.830 17.495 4.356 1.00 0.00 C ATOM 1691 O THR A 113 -5.383 16.440 4.014 1.00 0.00 O ATOM 1692 CB THR A 113 -6.842 19.042 4.225 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.380 20.197 3.571 1.00 0.00 O ATOM 1694 CG2 THR A 113 -6.973 19.227 5.744 1.00 0.00 C ATOM 0 H THR A 113 -6.134 18.675 1.829 1.00 0.00 H new ATOM 0 HA THR A 113 -4.758 19.657 4.155 1.00 0.00 H new ATOM 0 HB THR A 113 -7.395 18.145 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.310 20.328 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.022 19.372 6.004 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.592 18.341 6.253 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.398 20.099 6.055 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.743 17.527 5.218 1.00 0.00 N ATOM 1703 CA PRO A 114 -3.127 16.313 5.833 1.00 0.00 C ATOM 1704 C PRO A 114 -4.128 15.384 6.549 1.00 0.00 C ATOM 1705 O PRO A 114 -3.913 14.178 6.579 1.00 0.00 O ATOM 1706 CB PRO A 114 -2.104 16.906 6.837 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.734 18.226 6.251 1.00 0.00 C ATOM 1708 CD PRO A 114 -3.008 18.759 5.638 1.00 0.00 C ATOM 0 HA PRO A 114 -2.689 15.668 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.541 17.020 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -1.232 16.260 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.352 18.903 7.015 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.951 18.118 5.500 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.584 19.343 6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.802 19.411 4.789 1.00 0.00 H new ATOM 1716 N ALA A 115 -5.186 15.968 7.141 1.00 0.00 N ATOM 1717 CA ALA A 115 -6.290 15.212 7.785 1.00 0.00 C ATOM 1718 C ALA A 115 -6.940 14.211 6.809 1.00 0.00 C ATOM 1719 O ALA A 115 -7.058 13.017 7.112 1.00 0.00 O ATOM 1720 CB ALA A 115 -7.349 16.189 8.338 1.00 0.00 C ATOM 0 H ALA A 115 -5.305 16.980 7.189 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.866 14.638 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.154 15.625 8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.888 16.846 9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.754 16.787 7.522 1.00 0.00 H new ATOM 1726 N GLN A 116 -7.334 14.716 5.629 1.00 0.00 N ATOM 1727 CA GLN A 116 -8.010 13.914 4.589 1.00 0.00 C ATOM 1728 C GLN A 116 -7.031 12.925 3.925 1.00 0.00 C ATOM 1729 O GLN A 116 -7.402 11.778 3.664 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.690 14.835 3.526 1.00 0.00 C ATOM 1731 CG GLN A 116 -10.055 15.438 3.941 1.00 0.00 C ATOM 1732 CD GLN A 116 -10.004 16.307 5.198 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -10.191 15.821 6.315 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -9.755 17.597 5.031 1.00 0.00 N ATOM 0 H GLN A 116 -7.194 15.692 5.366 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.792 13.330 5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -8.008 15.652 3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.830 14.261 2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -10.440 16.036 3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.763 14.626 4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.604 17.970 4.094 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.714 18.217 5.840 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.788 13.379 3.654 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.727 12.528 3.053 1.00 0.00 C ATOM 1745 C GLN A 117 -4.456 11.299 3.923 1.00 0.00 C ATOM 1746 O GLN A 117 -4.501 10.159 3.451 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.414 13.328 2.871 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.537 14.527 1.924 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.217 15.260 1.735 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.444 14.948 0.833 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -1.954 16.236 2.582 1.00 0.00 N ATOM 0 H GLN A 117 -5.489 14.336 3.842 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.083 12.202 2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -3.079 13.682 3.846 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.642 12.658 2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.900 14.184 0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.281 15.221 2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.621 16.466 3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.083 16.761 2.501 1.00 0.00 H new ATOM 1760 N GLN A 118 -4.227 11.566 5.211 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.956 10.544 6.219 1.00 0.00 C ATOM 1762 C GLN A 118 -5.153 9.598 6.355 1.00 0.00 C ATOM 1763 O GLN A 118 -4.965 8.406 6.470 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.653 11.204 7.576 1.00 0.00 C ATOM 1765 CG GLN A 118 -3.286 10.221 8.697 1.00 0.00 C ATOM 1766 CD GLN A 118 -3.146 10.880 10.063 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -2.803 12.054 10.169 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -3.412 10.129 11.118 1.00 0.00 N ATOM 0 H GLN A 118 -4.225 12.514 5.587 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.087 9.967 5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.833 11.910 7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.524 11.781 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.050 9.445 8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.348 9.727 8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.695 9.157 10.994 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -3.335 10.522 12.056 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.377 10.155 6.317 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.632 9.373 6.437 1.00 0.00 C ATOM 1779 C ALA A 119 -7.820 8.432 5.229 1.00 0.00 C ATOM 1780 O ALA A 119 -8.358 7.326 5.371 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.835 10.321 6.597 1.00 0.00 C ATOM 0 H ALA A 119 -6.529 11.157 6.203 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.565 8.749 7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.750 9.736 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.705 10.926 7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.903 10.973 5.726 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.345 8.885 4.053 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.416 8.102 2.823 1.00 0.00 C ATOM 1789 C GLY A 120 -6.510 6.891 2.874 1.00 0.00 C ATOM 1790 O GLY A 120 -6.965 5.753 2.732 1.00 0.00 O ATOM 0 H GLY A 120 -6.906 9.798 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.444 7.780 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.137 8.729 1.976 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.227 7.151 3.131 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.195 6.106 3.207 1.00 0.00 C ATOM 1796 C TRP A 121 -4.417 5.160 4.392 1.00 0.00 C ATOM 1797 O TRP A 121 -4.181 3.964 4.269 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.804 6.748 3.292 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.320 7.340 1.995 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.614 8.569 1.475 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.444 6.708 1.061 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.965 8.740 0.285 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.243 7.609 0.007 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.804 5.464 1.024 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.436 7.311 -1.075 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.000 5.167 -0.053 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.179 6.088 -1.088 1.00 0.00 C ATOM 0 H TRP A 121 -4.870 8.093 3.293 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.265 5.508 2.299 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.822 7.530 4.051 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.088 5.996 3.625 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.264 9.298 1.937 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.010 9.574 -0.301 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.938 4.751 1.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.296 8.017 -1.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.499 4.210 -0.098 1.00 0.00 H new ATOM 0 HH2 TRP A 121 0.818 5.829 -1.919 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.847 5.708 5.538 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.175 4.909 6.741 1.00 0.00 C ATOM 1820 C GLN A 122 -6.348 3.976 6.437 1.00 0.00 C ATOM 1821 O GLN A 122 -6.397 2.873 6.953 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.519 5.820 7.951 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.772 5.089 9.290 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.545 4.328 9.806 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.721 4.888 10.518 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.423 3.046 9.466 1.00 0.00 N ATOM 0 H GLN A 122 -4.979 6.712 5.663 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.298 4.319 7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.702 6.528 8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.406 6.403 7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -6.082 5.816 10.040 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.598 4.389 9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.126 2.607 8.871 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.627 2.503 9.800 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.290 4.462 5.603 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.380 3.636 5.084 1.00 0.00 C ATOM 1837 C GLY A 123 -7.858 2.454 4.282 1.00 0.00 C ATOM 1838 O GLY A 123 -8.256 1.321 4.516 1.00 0.00 O ATOM 0 H GLY A 123 -7.310 5.429 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.988 3.273 5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.030 4.244 4.455 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.926 2.745 3.364 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.289 1.746 2.475 1.00 0.00 C ATOM 1844 C ILE A 124 -5.545 0.648 3.281 1.00 0.00 C ATOM 1845 O ILE A 124 -5.755 -0.552 3.064 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.290 2.469 1.493 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.043 3.490 0.578 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.505 1.456 0.640 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.148 4.318 -0.329 1.00 0.00 C ATOM 0 H ILE A 124 -6.584 3.694 3.211 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.076 1.255 1.903 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.574 3.018 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.756 2.945 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.620 4.165 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.826 1.989 -0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -3.931 0.798 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.201 0.862 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -5.760 4.996 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.451 4.896 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.590 3.657 -0.992 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.702 1.090 4.225 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.841 0.198 5.023 1.00 0.00 C ATOM 1863 C LEU A 125 -4.671 -0.601 6.045 1.00 0.00 C ATOM 1864 O LEU A 125 -4.373 -1.769 6.323 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.732 1.017 5.736 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.711 0.189 6.583 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -0.957 -0.846 5.711 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.732 1.121 7.336 1.00 0.00 C ATOM 0 H LEU A 125 -4.596 2.077 4.459 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.367 -0.514 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.179 1.577 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.209 1.747 6.390 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.274 -0.371 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.256 -1.403 6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.673 -1.536 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.411 -0.328 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.032 0.520 7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.180 1.726 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.293 1.774 8.005 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.702 0.044 6.613 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.663 -0.624 7.518 1.00 0.00 C ATOM 1882 C ASP A 126 -7.586 -1.575 6.738 1.00 0.00 C ATOM 1883 O ASP A 126 -8.134 -2.498 7.317 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.494 0.406 8.328 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.502 -0.243 9.297 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -8.080 -0.750 10.362 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.710 -0.258 8.988 1.00 0.00 O ATOM 0 H ASP A 126 -5.896 1.034 6.463 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.085 -1.215 8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.815 1.043 8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.033 1.052 7.635 1.00 0.00 H new ATOM 1892 N ASN A 127 -7.763 -1.338 5.425 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.491 -2.277 4.538 1.00 0.00 C ATOM 1894 C ASN A 127 -7.616 -3.480 4.211 1.00 0.00 C ATOM 1895 O ASN A 127 -8.142 -4.534 3.881 1.00 0.00 O ATOM 1896 CB ASN A 127 -8.985 -1.603 3.230 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.209 -0.710 3.434 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -11.023 -0.952 4.313 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.352 0.325 2.627 1.00 0.00 N ATOM 0 H ASN A 127 -7.413 -0.505 4.951 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.376 -2.606 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -8.175 -1.007 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -9.225 -2.376 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.156 0.944 2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -9.658 0.505 1.901 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.285 -3.296 4.268 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.328 -4.405 4.159 1.00 0.00 C ATOM 1908 C PHE A 128 -5.398 -5.269 5.426 1.00 0.00 C ATOM 1909 O PHE A 128 -5.508 -6.489 5.342 1.00 0.00 O ATOM 1910 CB PHE A 128 -3.891 -3.876 3.919 1.00 0.00 C ATOM 1911 CG PHE A 128 -2.822 -4.967 3.788 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.023 -6.062 2.949 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -1.625 -4.898 4.492 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.067 -7.038 2.817 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -0.668 -5.884 4.361 1.00 0.00 C ATOM 1916 CZ PHE A 128 -0.890 -6.953 3.523 1.00 0.00 C ATOM 0 H PHE A 128 -5.848 -2.382 4.390 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.593 -5.021 3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.887 -3.272 3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.619 -3.216 4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.946 -6.144 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.442 -4.062 5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -2.240 -7.875 2.157 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.256 -5.817 4.917 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.141 -7.724 3.420 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.358 -4.605 6.587 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.510 -5.244 7.906 1.00 0.00 C ATOM 1928 C LYS A 129 -6.848 -6.013 8.000 1.00 0.00 C ATOM 1929 O LYS A 129 -6.876 -7.177 8.389 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.430 -4.150 9.010 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.758 -4.633 10.438 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.794 -3.479 11.462 1.00 0.00 C ATOM 1933 CE LYS A 129 -6.460 -3.879 12.791 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.796 -5.027 13.444 1.00 0.00 N ATOM 0 H LYS A 129 -5.218 -3.596 6.641 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.706 -5.967 8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.425 -3.728 9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.115 -3.343 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.723 -5.140 10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -5.014 -5.367 10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.776 -3.142 11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -6.332 -2.634 11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.449 -3.025 13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.506 -4.127 12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.845 -4.915 14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.275 -5.908 13.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -4.800 -5.067 13.147 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.933 -5.331 7.615 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.306 -5.874 7.646 1.00 0.00 C ATOM 1950 C ARG A 130 -9.451 -7.062 6.693 1.00 0.00 C ATOM 1951 O ARG A 130 -10.041 -8.074 7.054 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.337 -4.780 7.283 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.809 -5.239 7.350 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.794 -4.142 6.941 1.00 0.00 C ATOM 1955 NE ARG A 130 -14.197 -4.559 7.141 1.00 0.00 N ATOM 1956 CZ ARG A 130 -15.222 -3.741 7.431 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -15.034 -2.434 7.546 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -16.433 -4.247 7.602 1.00 0.00 N ATOM 0 H ARG A 130 -7.887 -4.373 7.268 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.500 -6.219 8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.203 -3.934 7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.127 -4.421 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.945 -6.103 6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -12.037 -5.565 8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.596 -3.242 7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.637 -3.886 5.893 1.00 0.00 H new ATOM 0 HE ARG A 130 -14.405 -5.553 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.103 -2.039 7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -15.820 -1.823 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -16.583 -5.252 7.513 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -17.216 -3.632 7.822 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.904 -6.901 5.480 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.852 -7.961 4.453 1.00 0.00 C ATOM 1974 C TYR A 131 -8.247 -9.245 5.041 1.00 0.00 C ATOM 1975 O TYR A 131 -8.880 -10.286 5.026 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.034 -7.472 3.203 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.430 -8.598 2.330 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.218 -9.327 1.443 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.085 -8.963 2.445 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -7.692 -10.363 0.705 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -5.559 -10.009 1.722 1.00 0.00 C ATOM 1982 CZ TYR A 131 -6.364 -10.704 0.850 1.00 0.00 C ATOM 1983 OH TYR A 131 -5.847 -11.755 0.124 1.00 0.00 O ATOM 0 H TYR A 131 -8.480 -6.024 5.177 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.868 -8.184 4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.685 -6.860 2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.225 -6.828 3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.262 -9.075 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.444 -8.411 3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -8.318 -10.908 0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -4.521 -10.282 1.839 1.00 0.00 H new ATOM 0 HH TYR A 131 -5.040 -11.461 -0.348 1.00 0.00 H new ATOM 1993 N VAL A 132 -7.028 -9.117 5.584 1.00 0.00 N ATOM 1994 CA VAL A 132 -6.215 -10.250 6.049 1.00 0.00 C ATOM 1995 C VAL A 132 -6.886 -10.989 7.219 1.00 0.00 C ATOM 1996 O VAL A 132 -7.036 -12.208 7.181 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.775 -9.780 6.472 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.998 -10.913 7.163 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.972 -9.232 5.266 1.00 0.00 C ATOM 0 H VAL A 132 -6.573 -8.213 5.714 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.128 -10.942 5.211 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.904 -8.966 7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.007 -10.556 7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.535 -11.230 8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.900 -11.757 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.983 -8.918 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.869 -10.013 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.498 -8.379 4.836 1.00 0.00 H new ATOM 2009 N GLU A 133 -7.284 -10.233 8.245 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.776 -10.797 9.514 1.00 0.00 C ATOM 2011 C GLU A 133 -9.205 -11.356 9.368 1.00 0.00 C ATOM 2012 O GLU A 133 -9.555 -12.337 10.027 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.716 -9.724 10.621 1.00 0.00 C ATOM 2014 CG GLU A 133 -6.310 -9.154 10.903 1.00 0.00 C ATOM 2015 CD GLU A 133 -6.299 -8.033 11.961 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -7.270 -7.254 12.041 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -5.315 -7.916 12.715 1.00 0.00 O ATOM 0 H GLU A 133 -7.276 -9.213 8.224 1.00 0.00 H new ATOM 0 HA GLU A 133 -7.131 -11.630 9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.376 -8.902 10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -8.109 -10.153 11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.659 -9.963 11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.890 -8.769 9.974 1.00 0.00 H new ATOM 2024 N ALA A 134 -10.021 -10.739 8.495 1.00 0.00 N ATOM 2025 CA ALA A 134 -11.413 -11.197 8.242 1.00 0.00 C ATOM 2026 C ALA A 134 -11.435 -12.349 7.225 1.00 0.00 C ATOM 2027 O ALA A 134 -12.383 -13.140 7.199 1.00 0.00 O ATOM 2028 CB ALA A 134 -12.299 -10.047 7.769 1.00 0.00 C ATOM 0 H ALA A 134 -9.747 -9.922 7.949 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.815 -11.564 9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.310 -10.415 7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -12.324 -9.269 8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.897 -9.635 6.844 1.00 0.00 H new ATOM 2034 N ALA A 135 -10.386 -12.423 6.386 1.00 0.00 N ATOM 2035 CA ALA A 135 -10.164 -13.568 5.482 1.00 0.00 C ATOM 2036 C ALA A 135 -9.704 -14.764 6.305 1.00 0.00 C ATOM 2037 O ALA A 135 -10.178 -15.872 6.117 1.00 0.00 O ATOM 2038 CB ALA A 135 -9.125 -13.243 4.394 1.00 0.00 C ATOM 0 H ALA A 135 -9.673 -11.697 6.315 1.00 0.00 H new ATOM 0 HA ALA A 135 -11.102 -13.797 4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -8.990 -14.111 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.474 -12.399 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.175 -12.988 4.863 1.00 0.00 H new ATOM 2044 N GLY A 136 -8.757 -14.503 7.221 1.00 0.00 N ATOM 2045 CA GLY A 136 -8.179 -15.516 8.108 1.00 0.00 C ATOM 2046 C GLY A 136 -6.983 -16.224 7.489 1.00 0.00 C ATOM 2047 O GLY A 136 -5.977 -16.434 8.161 1.00 0.00 O ATOM 0 H GLY A 136 -8.369 -13.571 7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.873 -15.044 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.943 -16.252 8.358 1.00 0.00 H new ATOM 2051 N LEU A 137 -7.107 -16.539 6.178 1.00 0.00 N ATOM 2052 CA LEU A 137 -6.185 -17.373 5.401 1.00 0.00 C ATOM 2053 C LEU A 137 -5.946 -18.746 6.079 1.00 0.00 C ATOM 2054 O LEU A 137 -6.584 -19.739 5.724 1.00 0.00 O ATOM 2055 CB LEU A 137 -4.865 -16.610 5.093 1.00 0.00 C ATOM 2056 CG LEU A 137 -5.015 -15.323 4.201 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -5.543 -14.093 4.982 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -3.700 -14.996 3.492 1.00 0.00 C ATOM 0 H LEU A 137 -7.889 -16.200 5.617 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.652 -17.590 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -4.403 -16.323 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -4.178 -17.295 4.597 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.772 -15.556 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -5.623 -13.240 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.525 -14.320 5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -4.853 -13.852 5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.828 -14.102 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -2.921 -14.820 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -3.412 -15.832 2.855 1.00 0.00 H new ATOM 2070 N GLU A 138 -5.061 -18.763 7.086 1.00 0.00 N ATOM 2071 CA GLU A 138 -4.739 -19.948 7.883 1.00 0.00 C ATOM 2072 C GLU A 138 -5.593 -19.954 9.168 1.00 0.00 C ATOM 2073 O GLU A 138 -5.399 -19.116 10.041 1.00 0.00 O ATOM 2074 CB GLU A 138 -3.230 -19.931 8.248 1.00 0.00 C ATOM 2075 CG GLU A 138 -2.770 -21.130 9.095 1.00 0.00 C ATOM 2076 CD GLU A 138 -1.348 -20.965 9.658 1.00 0.00 C ATOM 2077 OE1 GLU A 138 -1.186 -20.312 10.710 1.00 0.00 O ATOM 2078 OE2 GLU A 138 -0.391 -21.478 9.053 1.00 0.00 O ATOM 0 H GLU A 138 -4.540 -17.934 7.372 1.00 0.00 H new ATOM 0 HA GLU A 138 -4.957 -20.847 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -2.646 -19.906 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -3.010 -19.012 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -3.467 -21.271 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -2.810 -22.033 8.486 1.00 0.00 H new ATOM 2085 N HIS A 139 -6.531 -20.902 9.283 1.00 0.00 N ATOM 2086 CA HIS A 139 -7.353 -21.093 10.502 1.00 0.00 C ATOM 2087 C HIS A 139 -7.111 -22.535 10.985 1.00 0.00 C ATOM 2088 O HIS A 139 -8.047 -23.305 11.241 1.00 0.00 O ATOM 2089 CB HIS A 139 -8.854 -20.796 10.183 1.00 0.00 C ATOM 2090 CG HIS A 139 -9.754 -20.698 11.403 1.00 0.00 C ATOM 2091 ND1 HIS A 139 -9.871 -19.553 12.158 1.00 0.00 N ATOM 2092 CD2 HIS A 139 -10.597 -21.601 11.975 1.00 0.00 C ATOM 2093 CE1 HIS A 139 -10.737 -19.749 13.131 1.00 0.00 C ATOM 2094 NE2 HIS A 139 -11.195 -20.981 13.045 1.00 0.00 N ATOM 0 H HIS A 139 -6.748 -21.563 8.537 1.00 0.00 H new ATOM 0 HA HIS A 139 -7.075 -20.403 11.298 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -8.915 -19.860 9.627 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -9.235 -21.581 9.529 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -10.765 -22.617 11.648 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -11.024 -19.021 13.875 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -11.881 -21.405 13.670 1.00 0.00 H new ATOM 2103 N HIS A 140 -5.797 -22.863 11.093 1.00 0.00 N ATOM 2104 CA HIS A 140 -5.263 -24.248 11.200 1.00 0.00 C ATOM 2105 C HIS A 140 -5.506 -24.999 9.869 1.00 0.00 C ATOM 2106 O HIS A 140 -6.177 -24.486 8.965 1.00 0.00 O ATOM 2107 CB HIS A 140 -5.833 -25.051 12.414 1.00 0.00 C ATOM 2108 CG HIS A 140 -5.468 -24.499 13.775 1.00 0.00 C ATOM 2109 ND1 HIS A 140 -4.706 -25.190 14.691 1.00 0.00 N ATOM 2110 CD2 HIS A 140 -5.798 -23.328 14.379 1.00 0.00 C ATOM 2111 CE1 HIS A 140 -4.588 -24.478 15.793 1.00 0.00 C ATOM 2112 NE2 HIS A 140 -5.237 -23.350 15.631 1.00 0.00 N ATOM 0 H HIS A 140 -5.062 -22.156 11.109 1.00 0.00 H new ATOM 0 HA HIS A 140 -4.193 -24.165 11.389 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -6.919 -25.083 12.331 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -5.478 -26.079 12.349 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -6.390 -22.531 13.954 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -4.048 -24.773 16.680 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.313 -22.607 16.326 1.00 0.00 H new ATOM 2121 N HIS A 141 -4.933 -26.203 9.730 1.00 0.00 N ATOM 2122 CA HIS A 141 -5.173 -27.045 8.545 1.00 0.00 C ATOM 2123 C HIS A 141 -6.580 -27.662 8.635 1.00 0.00 C ATOM 2124 O HIS A 141 -7.009 -28.081 9.718 1.00 0.00 O ATOM 2125 CB HIS A 141 -4.084 -28.134 8.417 1.00 0.00 C ATOM 2126 CG HIS A 141 -4.208 -28.992 7.181 1.00 0.00 C ATOM 2127 ND1 HIS A 141 -3.711 -28.615 5.956 1.00 0.00 N ATOM 2128 CD2 HIS A 141 -4.777 -30.207 6.996 1.00 0.00 C ATOM 2129 CE1 HIS A 141 -3.972 -29.554 5.072 1.00 0.00 C ATOM 2130 NE2 HIS A 141 -4.620 -30.532 5.674 1.00 0.00 N ATOM 0 H HIS A 141 -4.303 -26.616 10.418 1.00 0.00 H new ATOM 0 HA HIS A 141 -5.119 -26.430 7.647 1.00 0.00 H new ATOM 0 HB2 HIS A 141 -3.105 -27.655 8.416 1.00 0.00 H new ATOM 0 HB3 HIS A 141 -4.123 -28.776 9.297 1.00 0.00 H new ATOM 0 HD2 HIS A 141 -5.264 -30.808 7.750 1.00 0.00 H new ATOM 0 HE1 HIS A 141 -3.701 -29.528 4.027 1.00 0.00 H new ATOM 0 HE2 HIS A 141 -4.950 -31.389 5.229 1.00 0.00 H new ATOM 2139 N HIS A 142 -7.283 -27.680 7.486 1.00 0.00 N ATOM 2140 CA HIS A 142 -8.688 -28.118 7.392 1.00 0.00 C ATOM 2141 C HIS A 142 -8.883 -29.567 7.903 1.00 0.00 C ATOM 2142 O HIS A 142 -8.403 -30.526 7.305 1.00 0.00 O ATOM 2143 CB HIS A 142 -9.219 -27.924 5.944 1.00 0.00 C ATOM 2144 CG HIS A 142 -9.485 -26.474 5.609 1.00 0.00 C ATOM 2145 ND1 HIS A 142 -8.695 -25.728 4.768 1.00 0.00 N ATOM 2146 CD2 HIS A 142 -10.462 -25.637 6.043 1.00 0.00 C ATOM 2147 CE1 HIS A 142 -9.168 -24.497 4.695 1.00 0.00 C ATOM 2148 NE2 HIS A 142 -10.238 -24.415 5.460 1.00 0.00 N ATOM 0 H HIS A 142 -6.889 -27.389 6.591 1.00 0.00 H new ATOM 0 HA HIS A 142 -9.284 -27.487 8.052 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -8.493 -28.328 5.238 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -10.138 -28.496 5.819 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.265 -25.886 6.720 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -8.749 -23.693 4.108 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -10.807 -23.579 5.597 1.00 0.00 H new ATOM 2157 N HIS A 143 -9.583 -29.659 9.048 1.00 0.00 N ATOM 2158 CA HIS A 143 -9.802 -30.884 9.831 1.00 0.00 C ATOM 2159 C HIS A 143 -11.281 -31.324 9.763 1.00 0.00 C ATOM 2160 O HIS A 143 -12.078 -30.720 9.045 1.00 0.00 O ATOM 2161 CB HIS A 143 -9.383 -30.614 11.303 1.00 0.00 C ATOM 2162 CG HIS A 143 -10.229 -29.576 12.002 1.00 0.00 C ATOM 2163 ND1 HIS A 143 -11.318 -29.899 12.780 1.00 0.00 N ATOM 2164 CD2 HIS A 143 -10.159 -28.221 12.004 1.00 0.00 C ATOM 2165 CE1 HIS A 143 -11.880 -28.796 13.226 1.00 0.00 C ATOM 2166 NE2 HIS A 143 -11.199 -27.765 12.771 1.00 0.00 N ATOM 0 H HIS A 143 -10.030 -28.845 9.469 1.00 0.00 H new ATOM 0 HA HIS A 143 -9.199 -31.692 9.416 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -9.436 -31.548 11.862 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -8.342 -30.291 11.320 1.00 0.00 H new ATOM 0 HD1 HIS A 143 -11.639 -30.846 12.980 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -9.422 -27.616 11.497 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -12.753 -28.745 13.859 1.00 0.00 H new ATOM 2175 N HIS A 144 -11.629 -32.376 10.536 1.00 0.00 N ATOM 2176 CA HIS A 144 -13.008 -32.907 10.617 1.00 0.00 C ATOM 2177 C HIS A 144 -13.922 -31.900 11.359 1.00 0.00 C ATOM 2178 O HIS A 144 -14.818 -31.305 10.725 1.00 0.00 O ATOM 2179 CB HIS A 144 -13.028 -34.288 11.340 1.00 0.00 C ATOM 2180 CG HIS A 144 -12.220 -35.368 10.661 1.00 0.00 C ATOM 2181 ND1 HIS A 144 -12.786 -36.350 9.884 1.00 0.00 N ATOM 2182 CD2 HIS A 144 -10.886 -35.615 10.652 1.00 0.00 C ATOM 2183 CE1 HIS A 144 -11.845 -37.144 9.420 1.00 0.00 C ATOM 2184 NE2 HIS A 144 -10.683 -36.727 9.873 1.00 0.00 N ATOM 2185 OXT HIS A 144 -13.719 -31.692 12.572 1.00 0.00 O ATOM 0 H HIS A 144 -10.963 -32.881 11.121 1.00 0.00 H new ATOM 0 HA HIS A 144 -13.384 -33.047 9.603 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -12.653 -34.157 12.355 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -14.061 -34.624 11.423 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -10.125 -35.043 11.163 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -12.001 -37.996 8.775 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -9.780 -37.159 9.678 1.00 0.00 H new TER 2194 HIS A 144