USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ 156:sc= 0.109 (180deg=-0.256) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0529) USER MOD Single : A 4 ASN : amide:sc= -1.8! C(o=-1.8!,f=-7.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.645 K(o=-0.65,f=-5.4!) USER MOD Single : A 25 CYS SG : rot 21:sc= -0.0542 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 28 SER OG : rot 90:sc= 0.772 USER MOD Single : A 29 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.31) USER MOD Single : A 35 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-1.2) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -22:sc= -0.27! USER MOD Single : A 47 SER OG : rot 180:sc= 0.382 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 57 ASN : amide:sc= -0.428 K(o=-0.43,f=-2.1!) USER MOD Single : A 61 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.19! K(o=-1.2!,f=-0.048) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 56:sc= 0.47 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.754 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -152:sc= -3.68! (180deg=-6.6!) USER MOD Single : A 85 THR OG1 : rot -150:sc= -0.236 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0.507 K(o=0.51,f=-2.5!) USER MOD Single : A 98 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.34) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 101 HIS : no HD1:sc=-0.00407 X(o=-0.0041,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 55.012 3.722 4.017 1.00 0.00 N ATOM 2 CA THR A 1 54.970 2.516 3.133 1.00 0.00 C ATOM 3 C THR A 1 54.272 2.868 1.818 1.00 0.00 C ATOM 4 O THR A 1 53.393 2.130 1.367 1.00 0.00 O ATOM 5 CB THR A 1 54.206 1.378 3.835 1.00 0.00 C ATOM 6 OG1 THR A 1 54.621 1.291 5.186 1.00 0.00 O ATOM 7 CG2 THR A 1 54.500 0.051 3.136 1.00 0.00 C ATOM 0 H1 THR A 1 55.096 3.422 5.009 1.00 0.00 H new ATOM 0 H2 THR A 1 55.831 4.310 3.763 1.00 0.00 H new ATOM 0 H3 THR A 1 54.139 4.273 3.894 1.00 0.00 H new ATOM 0 HA THR A 1 55.989 2.188 2.927 1.00 0.00 H new ATOM 0 HB THR A 1 53.137 1.586 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 1 54.133 0.568 5.632 1.00 0.00 H new ATOM 0 HG21 THR A 1 53.958 -0.752 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 1 54.183 0.110 2.095 1.00 0.00 H new ATOM 0 HG23 THR A 1 55.570 -0.153 3.178 1.00 0.00 H new ATOM 17 N ALA A 2 54.654 3.998 1.210 1.00 0.00 N ATOM 18 CA ALA A 2 54.042 4.428 -0.045 1.00 0.00 C ATOM 19 C ALA A 2 54.760 5.652 -0.610 1.00 0.00 C ATOM 20 O ALA A 2 54.347 6.193 -1.637 1.00 0.00 O ATOM 21 CB ALA A 2 52.572 4.792 0.187 1.00 0.00 C ATOM 0 H ALA A 2 55.377 4.623 1.566 1.00 0.00 H new ATOM 0 HA ALA A 2 54.120 3.604 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.123 5.111 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.037 3.921 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 2 52.508 5.602 0.913 1.00 0.00 H new ATOM 27 N LYS A 3 55.834 6.093 0.057 1.00 0.00 N ATOM 28 CA LYS A 3 56.601 7.264 -0.400 1.00 0.00 C ATOM 29 C LYS A 3 58.076 6.885 -0.575 1.00 0.00 C ATOM 30 O LYS A 3 58.605 6.094 0.202 1.00 0.00 O ATOM 31 CB LYS A 3 56.448 8.416 0.630 1.00 0.00 C ATOM 32 CG LYS A 3 55.956 9.706 -0.055 1.00 0.00 C ATOM 33 CD LYS A 3 57.065 10.275 -0.956 1.00 0.00 C ATOM 34 CE LYS A 3 56.648 11.664 -1.439 1.00 0.00 C ATOM 35 NZ LYS A 3 55.512 11.553 -2.411 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.192 5.662 0.909 1.00 0.00 H new ATOM 0 HA LYS A 3 56.217 7.601 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.744 8.122 1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 3 57.404 8.601 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 3 55.065 9.497 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 3 55.673 10.442 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 3 58.004 10.334 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 3 57.235 9.615 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 3 56.351 12.279 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 3 57.494 12.162 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 55.303 12.491 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 55.774 10.901 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 54.670 11.190 -1.921 1.00 0.00 H new ATOM 49 N ASN A 4 58.755 7.477 -1.572 1.00 0.00 N ATOM 50 CA ASN A 4 60.178 7.200 -1.804 1.00 0.00 C ATOM 51 C ASN A 4 60.932 8.514 -2.040 1.00 0.00 C ATOM 52 O ASN A 4 60.788 9.133 -3.092 1.00 0.00 O ATOM 53 CB ASN A 4 60.353 6.275 -3.023 1.00 0.00 C ATOM 54 CG ASN A 4 59.857 6.950 -4.303 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.073 7.898 -4.242 1.00 0.00 O ATOM 56 ND2 ASN A 4 60.270 6.503 -5.465 1.00 0.00 N ATOM 0 H ASN A 4 58.343 8.145 -2.224 1.00 0.00 H new ATOM 0 HA ASN A 4 60.585 6.702 -0.924 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.404 6.008 -3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 4 59.804 5.347 -2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 4 59.942 6.941 -6.326 1.00 0.00 H new ATOM 0 HD22 ASN A 4 60.919 5.718 -5.508 1.00 0.00 H new ATOM 63 N THR A 5 61.751 8.934 -1.057 1.00 0.00 N ATOM 64 CA THR A 5 62.527 10.176 -1.182 1.00 0.00 C ATOM 65 C THR A 5 63.866 10.056 -0.446 1.00 0.00 C ATOM 66 O THR A 5 63.912 10.010 0.781 1.00 0.00 O ATOM 67 CB THR A 5 61.745 11.355 -0.592 1.00 0.00 C ATOM 68 OG1 THR A 5 60.571 11.568 -1.357 1.00 0.00 O ATOM 69 CG2 THR A 5 62.614 12.612 -0.621 1.00 0.00 C ATOM 0 H THR A 5 61.890 8.436 -0.178 1.00 0.00 H new ATOM 0 HA THR A 5 62.711 10.348 -2.243 1.00 0.00 H new ATOM 0 HB THR A 5 61.471 11.133 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.068 12.320 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 5 62.057 13.449 -0.201 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.516 12.445 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.890 12.840 -1.651 1.00 0.00 H new ATOM 77 N VAL A 6 64.959 10.028 -1.201 1.00 0.00 N ATOM 78 CA VAL A 6 66.273 9.925 -0.599 1.00 0.00 C ATOM 79 C VAL A 6 66.607 11.184 0.201 1.00 0.00 C ATOM 80 O VAL A 6 66.424 12.305 -0.265 1.00 0.00 O ATOM 81 CB VAL A 6 67.342 9.705 -1.678 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.593 10.995 -2.466 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.648 9.268 -1.013 1.00 0.00 C ATOM 0 H VAL A 6 64.957 10.075 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 6 66.264 9.071 0.078 1.00 0.00 H new ATOM 0 HB VAL A 6 66.989 8.935 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.354 10.815 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.668 11.313 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.935 11.776 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.410 9.111 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 6 68.981 10.042 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.485 8.339 -0.466 1.00 0.00 H new ATOM 93 N VAL A 7 67.153 10.980 1.386 1.00 0.00 N ATOM 94 CA VAL A 7 67.577 12.089 2.243 1.00 0.00 C ATOM 95 C VAL A 7 69.076 12.264 2.058 1.00 0.00 C ATOM 96 O VAL A 7 69.578 13.374 1.878 1.00 0.00 O ATOM 97 CB VAL A 7 67.259 11.759 3.705 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.991 12.713 4.654 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.758 11.892 3.939 1.00 0.00 C ATOM 0 H VAL A 7 67.317 10.055 1.784 1.00 0.00 H new ATOM 0 HA VAL A 7 67.053 13.008 1.978 1.00 0.00 H new ATOM 0 HB VAL A 7 67.588 10.739 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.748 12.457 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 7 69.067 12.624 4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.680 13.738 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.530 11.658 4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.445 12.913 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.225 11.201 3.286 1.00 0.00 H new ATOM 109 N ARG A 8 69.769 11.132 2.075 1.00 0.00 N ATOM 110 CA ARG A 8 71.204 11.095 1.886 1.00 0.00 C ATOM 111 C ARG A 8 71.598 9.762 1.298 1.00 0.00 C ATOM 112 O ARG A 8 70.999 8.726 1.596 1.00 0.00 O ATOM 113 CB ARG A 8 71.951 11.307 3.209 1.00 0.00 C ATOM 114 CG ARG A 8 73.449 10.990 3.019 1.00 0.00 C ATOM 115 CD ARG A 8 74.220 11.392 4.279 1.00 0.00 C ATOM 116 NE ARG A 8 74.317 12.847 4.372 1.00 0.00 N ATOM 117 CZ ARG A 8 74.202 13.482 5.536 1.00 0.00 C ATOM 118 NH1 ARG A 8 75.149 13.379 6.434 1.00 0.00 N1+ ATOM 119 NH2 ARG A 8 73.142 14.203 5.778 1.00 0.00 N ATOM 0 H ARG A 8 69.346 10.215 2.221 1.00 0.00 H new ATOM 0 HA ARG A 8 71.477 11.904 1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.827 12.336 3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.529 10.665 3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.584 9.927 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.839 11.528 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.718 10.997 5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 8 75.218 10.955 4.258 1.00 0.00 H new ATOM 0 HE ARG A 8 74.477 13.390 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.975 12.812 6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 8 75.061 13.866 7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 8 72.405 14.278 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 8 73.050 14.691 6.669 1.00 0.00 H new ATOM 133 N GLY A 9 72.628 9.807 0.480 1.00 0.00 N ATOM 134 CA GLY A 9 73.155 8.614 -0.156 1.00 0.00 C ATOM 135 C GLY A 9 74.502 8.225 0.438 1.00 0.00 C ATOM 136 O GLY A 9 74.727 8.333 1.640 1.00 0.00 O ATOM 0 H GLY A 9 73.123 10.665 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.450 7.792 -0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.263 8.786 -1.227 1.00 0.00 H new ATOM 140 N LEU A 10 75.390 7.772 -0.431 1.00 0.00 N ATOM 141 CA LEU A 10 76.719 7.374 -0.021 1.00 0.00 C ATOM 142 C LEU A 10 77.517 8.622 0.305 1.00 0.00 C ATOM 143 O LEU A 10 77.181 9.720 -0.148 1.00 0.00 O ATOM 144 CB LEU A 10 77.379 6.606 -1.161 1.00 0.00 C ATOM 145 CG LEU A 10 76.616 5.304 -1.405 1.00 0.00 C ATOM 146 CD1 LEU A 10 77.104 4.704 -2.728 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.857 4.303 -0.248 1.00 0.00 C ATOM 0 H LEU A 10 75.209 7.672 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 10 76.676 6.733 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.385 7.212 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.419 6.390 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 10 75.546 5.509 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.572 3.773 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.913 5.407 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 10 78.174 4.505 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.305 3.383 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.921 4.079 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.515 4.741 0.689 1.00 0.00 H new ATOM 159 N GLU A 11 78.575 8.469 1.096 1.00 0.00 N ATOM 160 CA GLU A 11 79.410 9.602 1.486 1.00 0.00 C ATOM 161 C GLU A 11 80.893 9.272 1.318 1.00 0.00 C ATOM 162 O GLU A 11 81.327 8.169 1.621 1.00 0.00 O ATOM 163 CB GLU A 11 79.111 9.961 2.942 1.00 0.00 C ATOM 164 CG GLU A 11 79.878 11.220 3.341 1.00 0.00 C ATOM 165 CD GLU A 11 79.570 11.575 4.787 1.00 0.00 C ATOM 166 OE1 GLU A 11 78.582 11.079 5.302 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 80.325 12.347 5.354 1.00 0.00 O ATOM 0 H GLU A 11 78.875 7.573 1.479 1.00 0.00 H new ATOM 0 HA GLU A 11 79.182 10.451 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.041 10.121 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.391 9.133 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.949 11.059 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.602 12.047 2.687 1.00 0.00 H new ATOM 174 N ASN A 12 81.666 10.247 0.825 1.00 0.00 N ATOM 175 CA ASN A 12 83.089 10.048 0.615 1.00 0.00 C ATOM 176 C ASN A 12 83.738 9.484 1.869 1.00 0.00 C ATOM 177 O ASN A 12 83.285 9.733 2.980 1.00 0.00 O ATOM 178 CB ASN A 12 83.754 11.369 0.245 1.00 0.00 C ATOM 179 CG ASN A 12 83.677 12.338 1.414 1.00 0.00 C ATOM 180 OD1 ASN A 12 82.680 12.375 2.143 1.00 0.00 O ATOM 181 ND2 ASN A 12 84.690 13.117 1.645 1.00 0.00 N ATOM 0 H ASN A 12 81.325 11.173 0.568 1.00 0.00 H new ATOM 0 HA ASN A 12 83.220 9.338 -0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 12 84.795 11.197 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 12 83.264 11.800 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 12 84.666 13.765 2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.510 13.081 1.039 1.00 0.00 H new ATOM 188 N VAL A 13 84.817 8.735 1.689 1.00 0.00 N ATOM 189 CA VAL A 13 85.517 8.149 2.841 1.00 0.00 C ATOM 190 C VAL A 13 87.029 8.175 2.614 1.00 0.00 C ATOM 191 O VAL A 13 87.509 7.872 1.525 1.00 0.00 O ATOM 192 CB VAL A 13 85.037 6.705 3.083 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.389 6.251 4.500 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.527 6.628 2.936 1.00 0.00 C ATOM 0 H VAL A 13 85.226 8.518 0.780 1.00 0.00 H new ATOM 0 HA VAL A 13 85.288 8.744 3.725 1.00 0.00 H new ATOM 0 HB VAL A 13 85.529 6.064 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.042 5.229 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.470 6.291 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.907 6.909 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.196 5.604 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.056 7.289 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.243 6.936 1.930 1.00 0.00 H new ATOM 204 N GLU A 14 87.777 8.533 3.670 1.00 0.00 N ATOM 205 CA GLU A 14 89.241 8.580 3.606 1.00 0.00 C ATOM 206 C GLU A 14 89.836 7.845 4.808 1.00 0.00 C ATOM 207 O GLU A 14 89.418 8.051 5.951 1.00 0.00 O ATOM 208 CB GLU A 14 89.743 10.032 3.546 1.00 0.00 C ATOM 209 CG GLU A 14 89.153 10.866 4.690 1.00 0.00 C ATOM 210 CD GLU A 14 87.672 11.098 4.436 1.00 0.00 C ATOM 211 OE1 GLU A 14 87.308 11.226 3.279 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 86.924 11.142 5.397 1.00 0.00 O ATOM 0 H GLU A 14 87.389 8.794 4.577 1.00 0.00 H new ATOM 0 HA GLU A 14 89.568 8.082 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 14 90.831 10.047 3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.469 10.476 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 14 89.294 10.351 5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 14 89.674 11.820 4.765 1.00 0.00 H new ATOM 219 N ALA A 15 90.798 6.965 4.530 1.00 0.00 N ATOM 220 CA ALA A 15 91.435 6.183 5.581 1.00 0.00 C ATOM 221 C ALA A 15 92.774 5.641 5.104 1.00 0.00 C ATOM 222 O ALA A 15 92.989 5.450 3.910 1.00 0.00 O ATOM 223 CB ALA A 15 90.537 4.999 5.967 1.00 0.00 C ATOM 0 H ALA A 15 91.149 6.779 3.591 1.00 0.00 H new ATOM 0 HA ALA A 15 91.591 6.832 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 15 91.019 4.418 6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 15 89.578 5.372 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 15 90.376 4.365 5.095 1.00 0.00 H new ATOM 229 N LEU A 16 93.663 5.369 6.049 1.00 0.00 N ATOM 230 CA LEU A 16 94.968 4.820 5.714 1.00 0.00 C ATOM 231 C LEU A 16 94.850 3.322 5.522 1.00 0.00 C ATOM 232 O LEU A 16 93.909 2.700 6.015 1.00 0.00 O ATOM 233 CB LEU A 16 95.959 5.112 6.838 1.00 0.00 C ATOM 234 CG LEU A 16 96.458 6.548 6.716 1.00 0.00 C ATOM 235 CD1 LEU A 16 95.274 7.536 6.719 1.00 0.00 C ATOM 236 CD2 LEU A 16 97.393 6.859 7.892 1.00 0.00 C ATOM 0 H LEU A 16 93.506 5.518 7.046 1.00 0.00 H new ATOM 0 HA LEU A 16 95.325 5.281 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 16 95.481 4.963 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 16 96.798 4.418 6.786 1.00 0.00 H new ATOM 0 HG LEU A 16 96.997 6.657 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 16 95.650 8.555 6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 16 94.616 7.318 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 16 94.717 7.434 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 16 97.753 7.885 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 16 96.850 6.739 8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 16 98.241 6.175 7.873 1.00 0.00 H new ATOM 248 N GLU A 17 95.823 2.738 4.831 1.00 0.00 N ATOM 249 CA GLU A 17 95.828 1.302 4.604 1.00 0.00 C ATOM 250 C GLU A 17 95.386 0.551 5.848 1.00 0.00 C ATOM 251 O GLU A 17 95.534 1.037 6.971 1.00 0.00 O ATOM 252 CB GLU A 17 97.228 0.837 4.201 1.00 0.00 C ATOM 253 CG GLU A 17 98.235 1.107 5.326 1.00 0.00 C ATOM 254 CD GLU A 17 99.622 0.651 4.883 1.00 0.00 C ATOM 255 OE1 GLU A 17 99.693 -0.288 4.113 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 100.592 1.257 5.317 1.00 0.00 O ATOM 0 H GLU A 17 96.613 3.236 4.421 1.00 0.00 H new ATOM 0 HA GLU A 17 95.125 1.088 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.210 -0.228 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.541 1.354 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 17 98.250 2.169 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.937 0.577 6.231 1.00 0.00 H new ATOM 263 N GLY A 18 94.842 -0.637 5.643 1.00 0.00 N ATOM 264 CA GLY A 18 94.381 -1.450 6.756 1.00 0.00 C ATOM 265 C GLY A 18 93.298 -0.723 7.533 1.00 0.00 C ATOM 266 O GLY A 18 93.006 -1.065 8.675 1.00 0.00 O ATOM 0 H GLY A 18 94.709 -1.058 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.995 -2.400 6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.217 -1.681 7.416 1.00 0.00 H new ATOM 270 N GLY A 19 92.719 0.293 6.910 1.00 0.00 N ATOM 271 CA GLY A 19 91.680 1.080 7.543 1.00 0.00 C ATOM 272 C GLY A 19 90.301 0.460 7.330 1.00 0.00 C ATOM 273 O GLY A 19 90.164 -0.568 6.667 1.00 0.00 O ATOM 0 H GLY A 19 92.955 0.590 5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.883 1.161 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.691 2.092 7.139 1.00 0.00 H new ATOM 277 N GLU A 20 89.282 1.116 7.897 1.00 0.00 N ATOM 278 CA GLU A 20 87.894 0.664 7.791 1.00 0.00 C ATOM 279 C GLU A 20 87.038 1.796 7.207 1.00 0.00 C ATOM 280 O GLU A 20 87.408 2.967 7.305 1.00 0.00 O ATOM 281 CB GLU A 20 87.367 0.266 9.182 1.00 0.00 C ATOM 282 CG GLU A 20 85.934 -0.282 9.051 1.00 0.00 C ATOM 283 CD GLU A 20 85.400 -0.713 10.410 1.00 0.00 C ATOM 284 OE1 GLU A 20 86.017 -0.379 11.401 1.00 0.00 O ATOM 285 OE2 GLU A 20 84.369 -1.375 10.435 1.00 0.00 O1- ATOM 0 H GLU A 20 89.398 1.972 8.440 1.00 0.00 H new ATOM 0 HA GLU A 20 87.841 -0.205 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.017 -0.488 9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.378 1.129 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.284 0.482 8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.924 -1.129 8.365 1.00 0.00 H new ATOM 292 N ALA A 21 85.898 1.450 6.596 1.00 0.00 N ATOM 293 CA ALA A 21 85.017 2.460 5.997 1.00 0.00 C ATOM 294 C ALA A 21 83.561 2.135 6.284 1.00 0.00 C ATOM 295 O ALA A 21 83.144 0.975 6.221 1.00 0.00 O ATOM 296 CB ALA A 21 85.222 2.502 4.487 1.00 0.00 C ATOM 0 H ALA A 21 85.567 0.490 6.504 1.00 0.00 H new ATOM 0 HA ALA A 21 85.265 3.428 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.564 3.254 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.259 2.756 4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.989 1.526 4.061 1.00 0.00 H new ATOM 302 N LEU A 22 82.798 3.175 6.602 1.00 0.00 N ATOM 303 CA LEU A 22 81.378 3.023 6.903 1.00 0.00 C ATOM 304 C LEU A 22 80.565 3.995 6.049 1.00 0.00 C ATOM 305 O LEU A 22 80.774 5.204 6.117 1.00 0.00 O ATOM 306 CB LEU A 22 81.141 3.309 8.398 1.00 0.00 C ATOM 307 CG LEU A 22 81.893 2.276 9.254 1.00 0.00 C ATOM 308 CD1 LEU A 22 81.960 2.751 10.713 1.00 0.00 C ATOM 309 CD2 LEU A 22 81.171 0.920 9.213 1.00 0.00 C ATOM 0 H LEU A 22 83.139 4.135 6.658 1.00 0.00 H new ATOM 0 HA LEU A 22 81.062 2.004 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.482 4.315 8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 22 80.075 3.271 8.620 1.00 0.00 H new ATOM 0 HG LEU A 22 82.900 2.168 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 22 82.494 2.013 11.312 1.00 0.00 H new ATOM 0 HD12 LEU A 22 82.484 3.706 10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 22 80.949 2.872 11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.715 0.199 9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.159 1.035 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 22 81.126 0.563 8.184 1.00 0.00 H new ATOM 321 N PHE A 23 79.639 3.467 5.247 1.00 0.00 N ATOM 322 CA PHE A 23 78.797 4.311 4.398 1.00 0.00 C ATOM 323 C PHE A 23 77.384 4.326 4.944 1.00 0.00 C ATOM 324 O PHE A 23 76.639 3.356 4.789 1.00 0.00 O ATOM 325 CB PHE A 23 78.750 3.763 2.960 1.00 0.00 C ATOM 326 CG PHE A 23 80.031 4.079 2.239 1.00 0.00 C ATOM 327 CD1 PHE A 23 81.143 3.236 2.361 1.00 0.00 C ATOM 328 CD2 PHE A 23 80.100 5.210 1.427 1.00 0.00 C ATOM 329 CE1 PHE A 23 82.322 3.537 1.670 1.00 0.00 C ATOM 330 CE2 PHE A 23 81.275 5.510 0.737 1.00 0.00 C ATOM 331 CZ PHE A 23 82.389 4.676 0.860 1.00 0.00 C ATOM 0 H PHE A 23 79.454 2.467 5.168 1.00 0.00 H new ATOM 0 HA PHE A 23 79.219 5.316 4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.592 2.685 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.906 4.199 2.425 1.00 0.00 H new ATOM 0 HD1 PHE A 23 81.091 2.357 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 23 79.240 5.857 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 23 83.181 2.889 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 23 81.323 6.387 0.108 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.301 4.910 0.331 1.00 0.00 H new ATOM 341 N GLU A 24 77.019 5.438 5.580 1.00 0.00 N ATOM 342 CA GLU A 24 75.684 5.589 6.147 1.00 0.00 C ATOM 343 C GLU A 24 74.814 6.433 5.235 1.00 0.00 C ATOM 344 O GLU A 24 75.055 7.630 5.080 1.00 0.00 O ATOM 345 CB GLU A 24 75.751 6.278 7.515 1.00 0.00 C ATOM 346 CG GLU A 24 76.349 5.327 8.552 1.00 0.00 C ATOM 347 CD GLU A 24 76.527 6.065 9.875 1.00 0.00 C ATOM 348 OE1 GLU A 24 76.176 7.234 9.920 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 76.996 5.455 10.818 1.00 0.00 O ATOM 0 H GLU A 24 77.629 6.245 5.714 1.00 0.00 H new ATOM 0 HA GLU A 24 75.258 4.592 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.357 7.182 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.753 6.586 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.697 4.465 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.309 4.948 8.203 1.00 0.00 H new ATOM 356 N CYS A 25 73.798 5.795 4.643 1.00 0.00 N ATOM 357 CA CYS A 25 72.865 6.482 3.749 1.00 0.00 C ATOM 358 C CYS A 25 71.467 6.463 4.356 1.00 0.00 C ATOM 359 O CYS A 25 71.068 5.476 4.987 1.00 0.00 O ATOM 360 CB CYS A 25 72.860 5.795 2.367 1.00 0.00 C ATOM 361 SG CYS A 25 73.148 4.021 2.560 1.00 0.00 S ATOM 0 H CYS A 25 73.603 4.802 4.769 1.00 0.00 H new ATOM 0 HA CYS A 25 73.181 7.517 3.622 1.00 0.00 H new ATOM 0 HB2 CYS A 25 71.905 5.965 1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 25 73.632 6.230 1.732 1.00 0.00 H new ATOM 0 HG CYS A 25 72.847 3.662 3.773 1.00 0.00 H new ATOM 367 N GLN A 26 70.724 7.560 4.166 1.00 0.00 N ATOM 368 CA GLN A 26 69.362 7.664 4.701 1.00 0.00 C ATOM 369 C GLN A 26 68.352 7.535 3.566 1.00 0.00 C ATOM 370 O GLN A 26 68.418 8.255 2.565 1.00 0.00 O ATOM 371 CB GLN A 26 69.182 9.007 5.413 1.00 0.00 C ATOM 372 CG GLN A 26 70.012 9.033 6.696 1.00 0.00 C ATOM 373 CD GLN A 26 69.909 10.419 7.316 1.00 0.00 C ATOM 374 OE1 GLN A 26 70.259 11.416 6.679 1.00 0.00 O ATOM 375 NE2 GLN A 26 69.438 10.553 8.522 1.00 0.00 N ATOM 0 H GLN A 26 71.040 8.381 3.650 1.00 0.00 H new ATOM 0 HA GLN A 26 69.197 6.860 5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.488 9.821 4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 26 68.129 9.166 5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.651 8.279 7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 26 71.053 8.793 6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 26 69.148 9.730 9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 26 69.359 11.481 8.938 1.00 0.00 H new ATOM 384 N LEU A 27 67.442 6.582 3.724 1.00 0.00 N ATOM 385 CA LEU A 27 66.422 6.313 2.713 1.00 0.00 C ATOM 386 C LEU A 27 65.029 6.426 3.306 1.00 0.00 C ATOM 387 O LEU A 27 64.768 5.889 4.376 1.00 0.00 O ATOM 388 CB LEU A 27 66.635 4.890 2.192 1.00 0.00 C ATOM 389 CG LEU A 27 65.781 4.622 0.923 1.00 0.00 C ATOM 390 CD1 LEU A 27 66.706 4.358 -0.270 1.00 0.00 C ATOM 391 CD2 LEU A 27 64.883 3.388 1.135 1.00 0.00 C ATOM 0 H LEU A 27 67.388 5.979 4.545 1.00 0.00 H new ATOM 0 HA LEU A 27 66.509 7.042 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 27 67.690 4.738 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 27 66.371 4.172 2.969 1.00 0.00 H new ATOM 0 HG LEU A 27 65.158 5.496 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 27 66.106 4.170 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 27 67.341 5.228 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 27 67.329 3.488 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 27 64.290 3.211 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.505 2.516 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.218 3.563 1.981 1.00 0.00 H new ATOM 403 N SER A 28 64.131 7.130 2.611 1.00 0.00 N ATOM 404 CA SER A 28 62.753 7.301 3.082 1.00 0.00 C ATOM 405 C SER A 28 61.795 6.438 2.262 1.00 0.00 C ATOM 406 O SER A 28 61.221 6.885 1.276 1.00 0.00 O ATOM 407 CB SER A 28 62.373 8.781 2.960 1.00 0.00 C ATOM 408 OG SER A 28 63.497 9.559 3.338 1.00 0.00 O ATOM 0 H SER A 28 64.332 7.590 1.723 1.00 0.00 H new ATOM 0 HA SER A 28 62.681 6.986 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.076 9.014 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.520 9.009 3.600 1.00 0.00 H new ATOM 0 HG SER A 28 64.048 9.742 2.549 1.00 0.00 H new ATOM 414 N GLN A 29 61.629 5.200 2.695 1.00 0.00 N ATOM 415 CA GLN A 29 60.747 4.260 2.026 1.00 0.00 C ATOM 416 C GLN A 29 60.612 2.977 2.842 1.00 0.00 C ATOM 417 O GLN A 29 61.324 2.007 2.586 1.00 0.00 O ATOM 418 CB GLN A 29 61.330 3.911 0.653 1.00 0.00 C ATOM 419 CG GLN A 29 60.263 3.237 -0.221 1.00 0.00 C ATOM 420 CD GLN A 29 60.924 2.399 -1.318 1.00 0.00 C ATOM 421 OE1 GLN A 29 60.341 1.423 -1.793 1.00 0.00 O ATOM 422 NE2 GLN A 29 62.129 2.703 -1.738 1.00 0.00 N ATOM 0 H GLN A 29 62.099 4.820 3.516 1.00 0.00 H new ATOM 0 HA GLN A 29 59.765 4.720 1.918 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.693 4.815 0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.186 3.247 0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 29 59.626 2.603 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 29 59.620 3.994 -0.670 1.00 0.00 H new ATOM 0 HE21 GLN A 29 62.616 3.510 -1.348 1.00 0.00 H new ATOM 0 HE22 GLN A 29 62.578 2.133 -2.454 1.00 0.00 H new ATOM 431 N PRO A 30 59.722 2.933 3.804 1.00 0.00 N ATOM 432 CA PRO A 30 59.534 1.707 4.632 1.00 0.00 C ATOM 433 C PRO A 30 58.900 0.579 3.793 1.00 0.00 C ATOM 434 O PRO A 30 57.984 -0.127 4.237 1.00 0.00 O ATOM 435 CB PRO A 30 58.627 2.155 5.810 1.00 0.00 C ATOM 436 CG PRO A 30 58.336 3.627 5.611 1.00 0.00 C ATOM 437 CD PRO A 30 58.818 4.024 4.201 1.00 0.00 C ATOM 0 HA PRO A 30 60.474 1.297 5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.702 1.578 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.124 1.986 6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.269 3.822 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.846 4.222 6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 30 57.982 4.120 3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 30 59.334 4.984 4.213 1.00 0.00 H new ATOM 445 N GLU A 31 59.417 0.427 2.570 1.00 0.00 N ATOM 446 CA GLU A 31 58.956 -0.587 1.625 1.00 0.00 C ATOM 447 C GLU A 31 60.129 -0.981 0.737 1.00 0.00 C ATOM 448 O GLU A 31 60.994 -0.146 0.462 1.00 0.00 O ATOM 449 CB GLU A 31 57.824 -0.021 0.742 1.00 0.00 C ATOM 450 CG GLU A 31 57.257 -1.135 -0.140 1.00 0.00 C ATOM 451 CD GLU A 31 56.105 -0.603 -0.991 1.00 0.00 C ATOM 452 OE1 GLU A 31 55.966 0.606 -1.080 1.00 0.00 O ATOM 453 OE2 GLU A 31 55.370 -1.416 -1.519 1.00 0.00 O1- ATOM 0 H GLU A 31 60.172 1.010 2.208 1.00 0.00 H new ATOM 0 HA GLU A 31 58.577 -1.450 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.036 0.398 1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.204 0.790 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.041 -1.532 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 31 56.908 -1.959 0.482 1.00 0.00 H new ATOM 460 N VAL A 32 60.154 -2.228 0.271 1.00 0.00 N ATOM 461 CA VAL A 32 61.230 -2.695 -0.600 1.00 0.00 C ATOM 462 C VAL A 32 60.631 -3.329 -1.841 1.00 0.00 C ATOM 463 O VAL A 32 59.940 -4.344 -1.761 1.00 0.00 O ATOM 464 CB VAL A 32 62.134 -3.681 0.153 1.00 0.00 C ATOM 465 CG1 VAL A 32 62.332 -3.166 1.568 1.00 0.00 C ATOM 466 CG2 VAL A 32 61.511 -5.093 0.208 1.00 0.00 C ATOM 0 H VAL A 32 59.445 -2.930 0.481 1.00 0.00 H new ATOM 0 HA VAL A 32 61.848 -1.851 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 32 63.086 -3.755 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 32 62.973 -3.854 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 32 62.800 -2.182 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 32 61.366 -3.091 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 32 62.178 -5.764 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 32 60.550 -5.047 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 32 61.364 -5.466 -0.806 1.00 0.00 H new ATOM 476 N ALA A 33 60.886 -2.703 -2.987 1.00 0.00 N ATOM 477 CA ALA A 33 60.366 -3.191 -4.256 1.00 0.00 C ATOM 478 C ALA A 33 61.493 -3.678 -5.141 1.00 0.00 C ATOM 479 O ALA A 33 61.369 -4.704 -5.811 1.00 0.00 O ATOM 480 CB ALA A 33 59.624 -2.068 -4.982 1.00 0.00 C ATOM 0 H ALA A 33 61.450 -1.856 -3.060 1.00 0.00 H new ATOM 0 HA ALA A 33 59.685 -4.017 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.238 -2.441 -5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.796 -1.721 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.309 -1.241 -5.169 1.00 0.00 H new ATOM 486 N ALA A 34 62.596 -2.938 -5.131 1.00 0.00 N ATOM 487 CA ALA A 34 63.759 -3.291 -5.927 1.00 0.00 C ATOM 488 C ALA A 34 64.962 -2.470 -5.477 1.00 0.00 C ATOM 489 O ALA A 34 64.903 -1.243 -5.393 1.00 0.00 O ATOM 490 CB ALA A 34 63.478 -3.065 -7.420 1.00 0.00 C ATOM 0 H ALA A 34 62.706 -2.088 -4.578 1.00 0.00 H new ATOM 0 HA ALA A 34 63.980 -4.348 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.360 -3.335 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.636 -3.684 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.238 -2.015 -7.590 1.00 0.00 H new ATOM 496 N HIS A 35 66.049 -3.159 -5.171 1.00 0.00 N ATOM 497 CA HIS A 35 67.261 -2.486 -4.722 1.00 0.00 C ATOM 498 C HIS A 35 68.483 -3.320 -5.044 1.00 0.00 C ATOM 499 O HIS A 35 68.484 -4.536 -4.862 1.00 0.00 O ATOM 500 CB HIS A 35 67.191 -2.232 -3.223 1.00 0.00 C ATOM 501 CG HIS A 35 66.757 -3.482 -2.522 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.431 -3.870 -2.472 1.00 0.00 N ATOM 503 CD2 HIS A 35 67.452 -4.414 -1.799 1.00 0.00 C ATOM 504 CE1 HIS A 35 65.364 -4.995 -1.733 1.00 0.00 C ATOM 505 NE2 HIS A 35 66.569 -5.373 -1.301 1.00 0.00 N ATOM 0 H HIS A 35 66.119 -4.175 -5.224 1.00 0.00 H new ATOM 0 HA HIS A 35 67.341 -1.533 -5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 35 68.165 -1.914 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 35 66.491 -1.423 -3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 35 68.520 -4.408 -1.639 1.00 0.00 H new ATOM 0 HE1 HIS A 35 64.448 -5.525 -1.517 1.00 0.00 H new ATOM 0 HE2 HIS A 35 66.796 -6.187 -0.730 1.00 0.00 H new ATOM 513 N THR A 36 69.521 -2.665 -5.553 1.00 0.00 N ATOM 514 CA THR A 36 70.755 -3.355 -5.936 1.00 0.00 C ATOM 515 C THR A 36 71.995 -2.620 -5.400 1.00 0.00 C ATOM 516 O THR A 36 72.104 -1.406 -5.525 1.00 0.00 O ATOM 517 CB THR A 36 70.810 -3.415 -7.468 1.00 0.00 C ATOM 518 OG1 THR A 36 69.681 -4.135 -7.943 1.00 0.00 O ATOM 519 CG2 THR A 36 72.080 -4.118 -7.950 1.00 0.00 C ATOM 0 H THR A 36 69.536 -1.657 -5.711 1.00 0.00 H new ATOM 0 HA THR A 36 70.755 -4.357 -5.508 1.00 0.00 H new ATOM 0 HB THR A 36 70.810 -2.395 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.708 -4.177 -8.922 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.090 -4.145 -9.040 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.955 -3.575 -7.592 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.102 -5.136 -7.562 1.00 0.00 H new ATOM 527 N TRP A 37 72.941 -3.370 -4.823 1.00 0.00 N ATOM 528 CA TRP A 37 74.192 -2.777 -4.301 1.00 0.00 C ATOM 529 C TRP A 37 75.375 -3.255 -5.138 1.00 0.00 C ATOM 530 O TRP A 37 75.626 -4.457 -5.208 1.00 0.00 O ATOM 531 CB TRP A 37 74.412 -3.199 -2.830 1.00 0.00 C ATOM 532 CG TRP A 37 73.797 -2.200 -1.915 1.00 0.00 C ATOM 533 CD1 TRP A 37 72.488 -2.153 -1.611 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.432 -1.102 -1.197 1.00 0.00 C ATOM 535 NE1 TRP A 37 72.269 -1.105 -0.740 1.00 0.00 N ATOM 536 CE2 TRP A 37 73.438 -0.425 -0.461 1.00 0.00 C ATOM 537 CE3 TRP A 37 75.760 -0.630 -1.118 1.00 0.00 C ATOM 538 CZ2 TRP A 37 73.735 0.674 0.335 1.00 0.00 C ATOM 539 CZ3 TRP A 37 76.066 0.483 -0.318 1.00 0.00 C ATOM 540 CH2 TRP A 37 75.056 1.137 0.403 1.00 0.00 C ATOM 0 H TRP A 37 72.872 -4.381 -4.703 1.00 0.00 H new ATOM 0 HA TRP A 37 74.113 -1.691 -4.356 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.974 -4.182 -2.656 1.00 0.00 H new ATOM 0 HB3 TRP A 37 75.479 -3.285 -2.624 1.00 0.00 H new ATOM 0 HD1 TRP A 37 71.731 -2.826 -1.987 1.00 0.00 H new ATOM 0 HE1 TRP A 37 71.358 -0.863 -0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 37 76.542 -1.126 -1.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 72.955 1.167 0.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 77.084 0.837 -0.258 1.00 0.00 H new ATOM 0 HH2 TRP A 37 75.296 1.997 1.010 1.00 0.00 H new ATOM 551 N LEU A 38 76.116 -2.322 -5.750 1.00 0.00 N ATOM 552 CA LEU A 38 77.276 -2.700 -6.557 1.00 0.00 C ATOM 553 C LEU A 38 78.383 -1.652 -6.510 1.00 0.00 C ATOM 554 O LEU A 38 78.225 -0.530 -6.998 1.00 0.00 O ATOM 555 CB LEU A 38 76.863 -2.912 -8.021 1.00 0.00 C ATOM 556 CG LEU A 38 76.043 -4.201 -8.184 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.602 -4.309 -9.643 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.894 -5.439 -7.819 1.00 0.00 C ATOM 0 H LEU A 38 75.936 -1.319 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 38 77.662 -3.627 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.277 -2.059 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.752 -2.961 -8.649 1.00 0.00 H new ATOM 0 HG LEU A 38 75.180 -4.166 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.018 -5.219 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 38 74.993 -3.444 -9.904 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.481 -4.342 -10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 38 76.295 -6.341 -7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.763 -5.489 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 38 77.225 -5.361 -6.783 1.00 0.00 H new ATOM 570 N LEU A 39 79.522 -2.059 -5.949 1.00 0.00 N ATOM 571 CA LEU A 39 80.711 -1.214 -5.856 1.00 0.00 C ATOM 572 C LEU A 39 81.672 -1.781 -6.875 1.00 0.00 C ATOM 573 O LEU A 39 81.460 -1.635 -8.079 1.00 0.00 O ATOM 574 CB LEU A 39 81.320 -1.258 -4.422 1.00 0.00 C ATOM 575 CG LEU A 39 80.779 -2.451 -3.619 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.499 -3.750 -4.029 1.00 0.00 C ATOM 577 CD2 LEU A 39 81.022 -2.208 -2.134 1.00 0.00 C ATOM 0 H LEU A 39 79.645 -2.987 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 39 80.483 -0.166 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.406 -1.325 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 39 81.089 -0.330 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 39 79.713 -2.552 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 39 81.103 -4.584 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.337 -3.936 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.567 -3.650 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.640 -3.052 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 39 82.092 -2.101 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.509 -1.297 -1.826 1.00 0.00 H new ATOM 589 N ASP A 40 82.669 -2.515 -6.411 1.00 0.00 N ATOM 590 CA ASP A 40 83.562 -3.182 -7.314 1.00 0.00 C ATOM 591 C ASP A 40 82.687 -4.164 -8.068 1.00 0.00 C ATOM 592 O ASP A 40 81.530 -4.358 -7.695 1.00 0.00 O ATOM 593 CB ASP A 40 84.685 -3.915 -6.557 1.00 0.00 C ATOM 594 CG ASP A 40 84.103 -4.973 -5.619 1.00 0.00 C ATOM 595 OD1 ASP A 40 82.969 -5.367 -5.825 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 84.810 -5.384 -4.713 1.00 0.00 O ATOM 0 H ASP A 40 82.871 -2.657 -5.421 1.00 0.00 H new ATOM 0 HA ASP A 40 84.064 -2.479 -7.979 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.363 -4.386 -7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.273 -3.198 -5.984 1.00 0.00 H new ATOM 601 N ASP A 41 83.175 -4.728 -9.134 1.00 0.00 N ATOM 602 CA ASP A 41 82.341 -5.634 -9.910 1.00 0.00 C ATOM 603 C ASP A 41 81.992 -6.915 -9.145 1.00 0.00 C ATOM 604 O ASP A 41 81.973 -7.993 -9.745 1.00 0.00 O ATOM 605 CB ASP A 41 83.044 -6.018 -11.213 1.00 0.00 C ATOM 606 CG ASP A 41 82.094 -6.813 -12.101 1.00 0.00 C ATOM 607 OD1 ASP A 41 80.934 -6.934 -11.741 1.00 0.00 O ATOM 608 OD2 ASP A 41 82.544 -7.293 -13.127 1.00 0.00 O1- ATOM 0 H ASP A 41 84.121 -4.590 -9.490 1.00 0.00 H new ATOM 0 HA ASP A 41 81.414 -5.099 -10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.378 -5.121 -11.734 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.933 -6.610 -10.996 1.00 0.00 H new ATOM 613 N GLU A 42 81.695 -6.820 -7.829 1.00 0.00 N ATOM 614 CA GLU A 42 81.323 -8.017 -7.044 1.00 0.00 C ATOM 615 C GLU A 42 80.124 -7.716 -6.129 1.00 0.00 C ATOM 616 O GLU A 42 80.064 -6.632 -5.541 1.00 0.00 O ATOM 617 CB GLU A 42 82.497 -8.491 -6.175 1.00 0.00 C ATOM 618 CG GLU A 42 83.580 -9.120 -7.062 1.00 0.00 C ATOM 619 CD GLU A 42 84.555 -9.912 -6.202 1.00 0.00 C ATOM 620 OE1 GLU A 42 84.241 -11.044 -5.881 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 85.603 -9.375 -5.884 1.00 0.00 O ATOM 0 H GLU A 42 81.705 -5.948 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 42 81.057 -8.801 -7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 42 82.912 -7.650 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.148 -9.217 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.121 -9.774 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.112 -8.342 -7.609 1.00 0.00 H new ATOM 628 N PRO A 43 79.172 -8.633 -5.983 1.00 0.00 N ATOM 629 CA PRO A 43 77.992 -8.385 -5.106 1.00 0.00 C ATOM 630 C PRO A 43 78.456 -8.030 -3.698 1.00 0.00 C ATOM 631 O PRO A 43 79.430 -8.598 -3.206 1.00 0.00 O ATOM 632 CB PRO A 43 77.183 -9.701 -5.105 1.00 0.00 C ATOM 633 CG PRO A 43 77.899 -10.675 -6.013 1.00 0.00 C ATOM 634 CD PRO A 43 79.122 -9.959 -6.629 1.00 0.00 C ATOM 0 HA PRO A 43 77.385 -7.552 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.107 -10.103 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.166 -9.526 -5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.217 -11.553 -5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.229 -11.024 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.038 -10.520 -6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.018 -9.865 -7.710 1.00 0.00 H new ATOM 642 N VAL A 44 77.780 -7.078 -3.060 1.00 0.00 N ATOM 643 CA VAL A 44 78.184 -6.660 -1.721 1.00 0.00 C ATOM 644 C VAL A 44 77.553 -7.542 -0.648 1.00 0.00 C ATOM 645 O VAL A 44 76.538 -7.197 -0.056 1.00 0.00 O ATOM 646 CB VAL A 44 77.770 -5.194 -1.497 1.00 0.00 C ATOM 647 CG1 VAL A 44 78.607 -4.587 -0.373 1.00 0.00 C ATOM 648 CG2 VAL A 44 77.977 -4.406 -2.789 1.00 0.00 C ATOM 0 H VAL A 44 76.968 -6.591 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 44 79.267 -6.759 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 44 76.718 -5.151 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 44 78.311 -3.550 -0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 44 78.446 -5.151 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 44 79.662 -4.626 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.684 -3.368 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 44 79.028 -4.448 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 44 77.367 -4.840 -3.581 1.00 0.00 H new ATOM 658 N ARG A 45 78.196 -8.673 -0.395 1.00 0.00 N ATOM 659 CA ARG A 45 77.753 -9.608 0.624 1.00 0.00 C ATOM 660 C ARG A 45 78.990 -10.317 1.162 1.00 0.00 C ATOM 661 O ARG A 45 79.549 -9.923 2.175 1.00 0.00 O ATOM 662 CB ARG A 45 76.734 -10.591 0.042 1.00 0.00 C ATOM 663 CG ARG A 45 76.205 -11.504 1.163 1.00 0.00 C ATOM 664 CD ARG A 45 74.915 -12.173 0.700 1.00 0.00 C ATOM 665 NE ARG A 45 75.133 -12.975 -0.504 1.00 0.00 N ATOM 666 CZ ARG A 45 74.110 -13.444 -1.207 1.00 0.00 C ATOM 667 NH1 ARG A 45 72.957 -13.662 -0.625 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 74.245 -13.689 -2.478 1.00 0.00 N ATOM 0 H ARG A 45 79.038 -8.966 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 45 77.248 -9.090 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 45 75.909 -10.047 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.197 -11.190 -0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 45 76.950 -12.259 1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 45 76.023 -10.922 2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.526 -12.808 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.160 -11.413 0.501 1.00 0.00 H new ATOM 0 HE ARG A 45 76.086 -13.177 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 45 72.844 -13.471 0.371 1.00 0.00 H new ATOM 0 HH12 ARG A 45 72.172 -14.023 -1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 45 75.140 -13.521 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 45 73.456 -14.049 -3.015 1.00 0.00 H new ATOM 682 N THR A 46 79.421 -11.338 0.441 1.00 0.00 N ATOM 683 CA THR A 46 80.622 -12.074 0.811 1.00 0.00 C ATOM 684 C THR A 46 80.544 -12.652 2.229 1.00 0.00 C ATOM 685 O THR A 46 79.656 -13.450 2.530 1.00 0.00 O ATOM 686 CB THR A 46 81.838 -11.139 0.676 1.00 0.00 C ATOM 687 OG1 THR A 46 81.924 -10.284 1.816 1.00 0.00 O ATOM 688 CG2 THR A 46 81.666 -10.274 -0.563 1.00 0.00 C ATOM 0 H THR A 46 78.959 -11.677 -0.403 1.00 0.00 H new ATOM 0 HA THR A 46 80.721 -12.925 0.137 1.00 0.00 H new ATOM 0 HB THR A 46 82.743 -11.741 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.046 -10.224 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.524 -9.609 -0.665 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.594 -10.911 -1.444 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.756 -9.681 -0.469 1.00 0.00 H new ATOM 696 N SER A 47 81.505 -12.275 3.084 1.00 0.00 N ATOM 697 CA SER A 47 81.572 -12.800 4.462 1.00 0.00 C ATOM 698 C SER A 47 81.861 -11.696 5.479 1.00 0.00 C ATOM 699 O SER A 47 81.376 -10.587 5.351 1.00 0.00 O ATOM 700 CB SER A 47 82.663 -13.861 4.551 1.00 0.00 C ATOM 701 OG SER A 47 82.490 -14.608 5.742 1.00 0.00 O ATOM 0 H SER A 47 82.245 -11.612 2.851 1.00 0.00 H new ATOM 0 HA SER A 47 80.600 -13.232 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.617 -14.520 3.684 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.646 -13.390 4.542 1.00 0.00 H new ATOM 0 HG SER A 47 83.188 -15.293 5.803 1.00 0.00 H new ATOM 707 N GLU A 48 82.605 -12.035 6.533 1.00 0.00 N ATOM 708 CA GLU A 48 82.900 -11.067 7.604 1.00 0.00 C ATOM 709 C GLU A 48 83.708 -9.857 7.101 1.00 0.00 C ATOM 710 O GLU A 48 83.426 -8.714 7.464 1.00 0.00 O ATOM 711 CB GLU A 48 83.659 -11.778 8.742 1.00 0.00 C ATOM 712 CG GLU A 48 83.927 -10.815 9.901 1.00 0.00 C ATOM 713 CD GLU A 48 84.608 -11.574 11.049 1.00 0.00 C ATOM 714 OE1 GLU A 48 84.630 -12.797 11.003 1.00 0.00 O1- ATOM 715 OE2 GLU A 48 85.104 -10.924 11.954 1.00 0.00 O ATOM 0 H GLU A 48 83.012 -12.960 6.673 1.00 0.00 H new ATOM 0 HA GLU A 48 81.949 -10.680 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 48 83.077 -12.629 9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.603 -12.172 8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 48 84.561 -9.994 9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 48 82.991 -10.375 10.246 1.00 0.00 H new ATOM 722 N ASN A 49 84.729 -10.096 6.291 1.00 0.00 N ATOM 723 CA ASN A 49 85.560 -8.994 5.806 1.00 0.00 C ATOM 724 C ASN A 49 84.770 -8.013 4.932 1.00 0.00 C ATOM 725 O ASN A 49 85.326 -7.058 4.404 1.00 0.00 O ATOM 726 CB ASN A 49 86.720 -9.546 4.998 1.00 0.00 C ATOM 727 CG ASN A 49 87.583 -10.466 5.851 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.996 -10.103 6.955 1.00 0.00 O ATOM 729 ND2 ASN A 49 87.901 -11.632 5.394 1.00 0.00 N ATOM 0 H ASN A 49 85.002 -11.021 5.959 1.00 0.00 H new ATOM 0 HA ASN A 49 85.922 -8.453 6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 49 86.340 -10.093 4.135 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.325 -8.725 4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 49 88.493 -12.252 5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 49 87.560 -11.932 4.481 1.00 0.00 H new ATOM 736 N ALA A 50 83.474 -8.251 4.787 1.00 0.00 N ATOM 737 CA ALA A 50 82.614 -7.383 3.973 1.00 0.00 C ATOM 738 C ALA A 50 81.192 -7.934 3.981 1.00 0.00 C ATOM 739 O ALA A 50 81.006 -9.115 3.743 1.00 0.00 O ATOM 740 CB ALA A 50 83.112 -7.341 2.527 1.00 0.00 C ATOM 0 H ALA A 50 82.989 -9.037 5.220 1.00 0.00 H new ATOM 0 HA ALA A 50 82.637 -6.377 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.463 -6.693 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.130 -6.953 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.098 -8.347 2.108 1.00 0.00 H new ATOM 746 N GLU A 51 80.199 -7.076 4.217 1.00 0.00 N ATOM 747 CA GLU A 51 78.795 -7.520 4.229 1.00 0.00 C ATOM 748 C GLU A 51 77.874 -6.327 4.511 1.00 0.00 C ATOM 749 O GLU A 51 78.271 -5.398 5.232 1.00 0.00 O ATOM 750 CB GLU A 51 78.581 -8.581 5.330 1.00 0.00 C ATOM 751 CG GLU A 51 77.140 -9.103 5.276 1.00 0.00 C ATOM 752 CD GLU A 51 76.938 -10.195 6.326 1.00 0.00 C ATOM 753 OE1 GLU A 51 77.830 -10.386 7.144 1.00 0.00 O ATOM 754 OE2 GLU A 51 75.900 -10.836 6.293 1.00 0.00 O1- ATOM 0 H GLU A 51 80.332 -6.082 4.401 1.00 0.00 H new ATOM 0 HA GLU A 51 78.560 -7.950 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.281 -9.405 5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.784 -8.148 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.442 -8.285 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.925 -9.498 4.283 1.00 0.00 H new ATOM 761 N VAL A 52 76.650 -6.317 3.933 1.00 0.00 N ATOM 762 CA VAL A 52 75.711 -5.190 4.158 1.00 0.00 C ATOM 763 C VAL A 52 74.693 -5.532 5.255 1.00 0.00 C ATOM 764 O VAL A 52 74.306 -6.687 5.431 1.00 0.00 O ATOM 765 CB VAL A 52 74.928 -4.836 2.867 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.374 -3.415 2.972 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.842 -4.909 1.640 1.00 0.00 C ATOM 0 H VAL A 52 76.295 -7.054 3.324 1.00 0.00 H new ATOM 0 HA VAL A 52 76.317 -4.337 4.463 1.00 0.00 H new ATOM 0 HB VAL A 52 74.116 -5.554 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.825 -3.171 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.705 -3.348 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.197 -2.712 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.272 -4.657 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.665 -4.203 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.241 -5.919 1.543 1.00 0.00 H new ATOM 777 N VAL A 53 74.243 -4.506 5.970 1.00 0.00 N ATOM 778 CA VAL A 53 73.250 -4.677 7.028 1.00 0.00 C ATOM 779 C VAL A 53 72.271 -3.518 6.964 1.00 0.00 C ATOM 780 O VAL A 53 72.675 -2.391 6.694 1.00 0.00 O ATOM 781 CB VAL A 53 73.923 -4.685 8.402 1.00 0.00 C ATOM 782 CG1 VAL A 53 74.840 -5.908 8.527 1.00 0.00 C ATOM 783 CG2 VAL A 53 74.733 -3.387 8.578 1.00 0.00 C ATOM 0 H VAL A 53 74.551 -3.543 5.836 1.00 0.00 H new ATOM 0 HA VAL A 53 72.735 -5.627 6.885 1.00 0.00 H new ATOM 0 HB VAL A 53 73.164 -4.741 9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.316 -5.907 9.508 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.251 -6.818 8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.606 -5.869 7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 53 75.214 -3.388 9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 53 75.493 -3.324 7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 53 74.065 -2.529 8.503 1.00 0.00 H new ATOM 793 N PHE A 54 70.992 -3.769 7.208 1.00 0.00 N ATOM 794 CA PHE A 54 69.996 -2.694 7.166 1.00 0.00 C ATOM 795 C PHE A 54 69.026 -2.814 8.326 1.00 0.00 C ATOM 796 O PHE A 54 68.525 -3.893 8.617 1.00 0.00 O ATOM 797 CB PHE A 54 69.228 -2.709 5.836 1.00 0.00 C ATOM 798 CG PHE A 54 68.245 -3.867 5.801 1.00 0.00 C ATOM 799 CD1 PHE A 54 66.969 -3.736 6.376 1.00 0.00 C ATOM 800 CD2 PHE A 54 68.613 -5.065 5.188 1.00 0.00 C ATOM 801 CE1 PHE A 54 66.068 -4.815 6.326 1.00 0.00 C ATOM 802 CE2 PHE A 54 67.718 -6.141 5.142 1.00 0.00 C ATOM 803 CZ PHE A 54 66.442 -6.018 5.708 1.00 0.00 C ATOM 0 H PHE A 54 70.618 -4.691 7.434 1.00 0.00 H new ATOM 0 HA PHE A 54 70.527 -1.746 7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.694 -1.767 5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 54 69.929 -2.794 5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 54 66.682 -2.811 6.854 1.00 0.00 H new ATOM 0 HD2 PHE A 54 69.594 -5.163 4.746 1.00 0.00 H new ATOM 0 HE1 PHE A 54 65.086 -4.717 6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 54 68.012 -7.067 4.670 1.00 0.00 H new ATOM 0 HZ PHE A 54 65.749 -6.846 5.669 1.00 0.00 H new ATOM 813 N PHE A 55 68.791 -1.685 8.989 1.00 0.00 N ATOM 814 CA PHE A 55 67.893 -1.649 10.139 1.00 0.00 C ATOM 815 C PHE A 55 66.689 -0.741 9.873 1.00 0.00 C ATOM 816 O PHE A 55 66.592 -0.097 8.831 1.00 0.00 O ATOM 817 CB PHE A 55 68.648 -1.147 11.371 1.00 0.00 C ATOM 818 CG PHE A 55 69.964 -1.876 11.510 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.001 -3.202 11.965 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.157 -1.217 11.192 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.232 -3.860 12.102 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.378 -1.875 11.327 1.00 0.00 C ATOM 823 CZ PHE A 55 72.421 -3.192 11.785 1.00 0.00 C ATOM 0 H PHE A 55 69.209 -0.786 8.750 1.00 0.00 H new ATOM 0 HA PHE A 55 67.529 -2.661 10.315 1.00 0.00 H new ATOM 0 HB2 PHE A 55 68.825 -0.075 11.286 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.043 -1.300 12.265 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.083 -3.716 12.210 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.131 -0.196 10.841 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.263 -4.881 12.452 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.295 -1.363 11.076 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.370 -3.696 11.895 1.00 0.00 H new ATOM 833 N GLU A 56 65.769 -0.724 10.832 1.00 0.00 N ATOM 834 CA GLU A 56 64.561 0.079 10.734 1.00 0.00 C ATOM 835 C GLU A 56 63.672 -0.356 9.566 1.00 0.00 C ATOM 836 O GLU A 56 62.962 0.462 8.981 1.00 0.00 O ATOM 837 CB GLU A 56 64.910 1.564 10.634 1.00 0.00 C ATOM 838 CG GLU A 56 65.487 2.027 11.977 1.00 0.00 C ATOM 839 CD GLU A 56 65.970 3.472 11.880 1.00 0.00 C ATOM 840 OE1 GLU A 56 65.163 4.314 11.528 1.00 0.00 O ATOM 841 OE2 GLU A 56 67.131 3.717 12.173 1.00 0.00 O1- ATOM 0 H GLU A 56 65.841 -1.265 11.694 1.00 0.00 H new ATOM 0 HA GLU A 56 63.987 -0.083 11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.633 1.729 9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.022 2.145 10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.728 1.942 12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.314 1.379 12.267 1.00 0.00 H new ATOM 848 N ASN A 57 63.717 -1.647 9.241 1.00 0.00 N ATOM 849 CA ASN A 57 62.904 -2.201 8.147 1.00 0.00 C ATOM 850 C ASN A 57 63.311 -1.629 6.789 1.00 0.00 C ATOM 851 O ASN A 57 62.460 -1.345 5.948 1.00 0.00 O ATOM 852 CB ASN A 57 61.415 -1.916 8.395 1.00 0.00 C ATOM 853 CG ASN A 57 60.566 -2.782 7.464 1.00 0.00 C ATOM 854 OD1 ASN A 57 60.965 -3.887 7.120 1.00 0.00 O ATOM 855 ND2 ASN A 57 59.407 -2.343 7.034 1.00 0.00 N ATOM 0 H ASN A 57 64.305 -2.332 9.716 1.00 0.00 H new ATOM 0 HA ASN A 57 63.077 -3.277 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.162 -2.126 9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.202 -0.861 8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 57 58.840 -2.922 6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 57 59.073 -1.423 7.319 1.00 0.00 H new ATOM 862 N GLY A 58 64.615 -1.498 6.566 1.00 0.00 N ATOM 863 CA GLY A 58 65.111 -0.996 5.279 1.00 0.00 C ATOM 864 C GLY A 58 65.062 0.531 5.179 1.00 0.00 C ATOM 865 O GLY A 58 65.145 1.078 4.079 1.00 0.00 O ATOM 0 H GLY A 58 65.341 -1.727 7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.138 -1.332 5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 58 64.518 -1.428 4.473 1.00 0.00 H new ATOM 869 N LEU A 59 64.943 1.222 6.315 1.00 0.00 N ATOM 870 CA LEU A 59 64.902 2.694 6.289 1.00 0.00 C ATOM 871 C LEU A 59 66.333 3.259 6.303 1.00 0.00 C ATOM 872 O LEU A 59 66.553 4.451 6.066 1.00 0.00 O ATOM 873 CB LEU A 59 64.108 3.230 7.488 1.00 0.00 C ATOM 874 CG LEU A 59 63.620 4.663 7.217 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.458 4.666 6.203 1.00 0.00 C ATOM 876 CD2 LEU A 59 63.158 5.294 8.540 1.00 0.00 C ATOM 0 H LEU A 59 64.875 0.804 7.243 1.00 0.00 H new ATOM 0 HA LEU A 59 64.403 3.014 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.255 2.581 7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 59 64.733 3.216 8.381 1.00 0.00 H new ATOM 0 HG LEU A 59 64.441 5.242 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.130 5.691 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.794 4.227 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 59 61.627 4.082 6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 59 62.810 6.311 8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.345 4.703 8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 59 63.991 5.317 9.243 1.00 0.00 H new ATOM 888 N ARG A 60 67.301 2.381 6.570 1.00 0.00 N ATOM 889 CA ARG A 60 68.718 2.771 6.609 1.00 0.00 C ATOM 890 C ARG A 60 69.586 1.635 6.090 1.00 0.00 C ATOM 891 O ARG A 60 69.212 0.463 6.172 1.00 0.00 O ATOM 892 CB ARG A 60 69.124 3.113 8.044 1.00 0.00 C ATOM 893 CG ARG A 60 70.465 3.846 8.051 1.00 0.00 C ATOM 894 CD ARG A 60 70.815 4.282 9.481 1.00 0.00 C ATOM 895 NE ARG A 60 69.905 5.326 9.928 1.00 0.00 N ATOM 896 CZ ARG A 60 69.955 5.772 11.165 1.00 0.00 C ATOM 897 NH1 ARG A 60 69.562 5.003 12.131 1.00 0.00 N ATOM 898 NH2 ARG A 60 70.401 6.965 11.415 1.00 0.00 N1+ ATOM 0 H ARG A 60 67.133 1.394 6.763 1.00 0.00 H new ATOM 0 HA ARG A 60 68.860 3.647 5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.359 3.735 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 60 69.196 2.201 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 60 71.247 3.196 7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 60 70.417 4.717 7.398 1.00 0.00 H new ATOM 0 HD2 ARG A 60 70.756 3.426 10.154 1.00 0.00 H new ATOM 0 HD3 ARG A 60 71.842 4.646 9.516 1.00 0.00 H new ATOM 0 HE ARG A 60 69.223 5.715 9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 60 69.219 4.064 11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 60 69.596 5.337 13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 60 70.715 7.563 10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 60 70.437 7.305 12.376 1.00 0.00 H new ATOM 912 N HIS A 61 70.764 1.991 5.568 1.00 0.00 N ATOM 913 CA HIS A 61 71.690 0.989 5.047 1.00 0.00 C ATOM 914 C HIS A 61 73.146 1.354 5.371 1.00 0.00 C ATOM 915 O HIS A 61 73.611 2.458 5.075 1.00 0.00 O ATOM 916 CB HIS A 61 71.510 0.859 3.531 1.00 0.00 C ATOM 917 CG HIS A 61 70.210 0.158 3.236 1.00 0.00 C ATOM 918 ND1 HIS A 61 68.997 0.825 3.190 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.927 -1.158 2.973 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.049 -0.083 2.906 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.564 -1.308 2.760 1.00 0.00 N ATOM 0 H HIS A 61 71.093 2.954 5.497 1.00 0.00 H new ATOM 0 HA HIS A 61 71.467 0.036 5.526 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.516 1.846 3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.342 0.300 3.102 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.654 -1.956 2.937 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.999 0.148 2.808 1.00 0.00 H new ATOM 0 HE2 HIS A 61 68.063 -2.168 2.539 1.00 0.00 H new ATOM 929 N LEU A 62 73.849 0.402 5.988 1.00 0.00 N ATOM 930 CA LEU A 62 75.260 0.572 6.377 1.00 0.00 C ATOM 931 C LEU A 62 76.113 -0.542 5.786 1.00 0.00 C ATOM 932 O LEU A 62 75.774 -1.718 5.883 1.00 0.00 O ATOM 933 CB LEU A 62 75.406 0.511 7.902 1.00 0.00 C ATOM 934 CG LEU A 62 74.595 1.641 8.575 1.00 0.00 C ATOM 935 CD1 LEU A 62 73.150 1.182 8.830 1.00 0.00 C ATOM 936 CD2 LEU A 62 75.237 2.004 9.924 1.00 0.00 C ATOM 0 H LEU A 62 73.462 -0.509 6.234 1.00 0.00 H new ATOM 0 HA LEU A 62 75.590 1.541 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.062 -0.457 8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.458 0.599 8.175 1.00 0.00 H new ATOM 0 HG LEU A 62 74.592 2.506 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 62 72.591 1.988 9.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 72.678 0.922 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 62 73.155 0.310 9.484 1.00 0.00 H new ATOM 0 HD21 LEU A 62 74.664 2.801 10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.243 1.127 10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.261 2.341 9.761 1.00 0.00 H new ATOM 948 N LEU A 63 77.229 -0.160 5.182 1.00 0.00 N ATOM 949 CA LEU A 63 78.149 -1.121 4.567 1.00 0.00 C ATOM 950 C LEU A 63 79.513 -1.070 5.249 1.00 0.00 C ATOM 951 O LEU A 63 80.179 -0.035 5.223 1.00 0.00 O ATOM 952 CB LEU A 63 78.291 -0.766 3.081 1.00 0.00 C ATOM 953 CG LEU A 63 79.512 -1.475 2.458 1.00 0.00 C ATOM 954 CD1 LEU A 63 79.461 -2.995 2.739 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.528 -1.212 0.947 1.00 0.00 C ATOM 0 H LEU A 63 77.525 0.813 5.102 1.00 0.00 H new ATOM 0 HA LEU A 63 77.755 -2.131 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.386 -1.055 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.396 0.313 2.970 1.00 0.00 H new ATOM 0 HG LEU A 63 80.424 -1.081 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 63 80.330 -3.477 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.465 -3.166 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.552 -3.414 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.388 -1.710 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.612 -1.599 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.595 -0.139 0.765 1.00 0.00 H new ATOM 967 N LEU A 64 79.938 -2.189 5.868 1.00 0.00 N ATOM 968 CA LEU A 64 81.237 -2.246 6.551 1.00 0.00 C ATOM 969 C LEU A 64 82.239 -3.065 5.726 1.00 0.00 C ATOM 970 O LEU A 64 81.980 -4.223 5.392 1.00 0.00 O ATOM 971 CB LEU A 64 81.035 -2.927 7.920 1.00 0.00 C ATOM 972 CG LEU A 64 82.260 -2.723 8.847 1.00 0.00 C ATOM 973 CD1 LEU A 64 81.823 -2.900 10.308 1.00 0.00 C ATOM 974 CD2 LEU A 64 83.360 -3.748 8.534 1.00 0.00 C ATOM 0 H LEU A 64 79.403 -3.057 5.907 1.00 0.00 H new ATOM 0 HA LEU A 64 81.628 -1.236 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.144 -2.522 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.862 -3.993 7.774 1.00 0.00 H new ATOM 0 HG LEU A 64 82.654 -1.720 8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 64 82.681 -2.757 10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 64 81.055 -2.165 10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.421 -3.904 10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.209 -3.584 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 64 82.972 -4.755 8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 64 83.681 -3.633 7.499 1.00 0.00 H new ATOM 986 N LEU A 65 83.394 -2.446 5.423 1.00 0.00 N ATOM 987 CA LEU A 65 84.472 -3.094 4.655 1.00 0.00 C ATOM 988 C LEU A 65 85.789 -2.917 5.407 1.00 0.00 C ATOM 989 O LEU A 65 86.163 -1.786 5.695 1.00 0.00 O ATOM 990 CB LEU A 65 84.614 -2.414 3.278 1.00 0.00 C ATOM 991 CG LEU A 65 83.321 -2.562 2.473 1.00 0.00 C ATOM 992 CD1 LEU A 65 83.410 -1.715 1.195 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.101 -4.036 2.096 1.00 0.00 C ATOM 0 H LEU A 65 83.606 -1.488 5.702 1.00 0.00 H new ATOM 0 HA LEU A 65 84.235 -4.150 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.849 -1.358 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.444 -2.859 2.730 1.00 0.00 H new ATOM 0 HG LEU A 65 82.483 -2.220 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 65 82.488 -1.822 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 65 83.552 -0.668 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 65 84.253 -2.054 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.178 -4.131 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 65 83.939 -4.387 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.029 -4.637 3.003 1.00 0.00 H new ATOM 1005 N LYS A 66 86.480 -4.002 5.781 1.00 0.00 N ATOM 1006 CA LYS A 66 87.726 -3.864 6.565 1.00 0.00 C ATOM 1007 C LYS A 66 88.983 -3.980 5.682 1.00 0.00 C ATOM 1008 O LYS A 66 88.911 -3.922 4.455 1.00 0.00 O ATOM 1009 CB LYS A 66 87.774 -4.976 7.627 1.00 0.00 C ATOM 1010 CG LYS A 66 86.556 -4.872 8.548 1.00 0.00 C ATOM 1011 CD LYS A 66 86.574 -6.026 9.553 1.00 0.00 C ATOM 1012 CE LYS A 66 85.304 -5.974 10.420 1.00 0.00 C ATOM 1013 NZ LYS A 66 85.344 -7.070 11.427 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.212 -4.962 5.564 1.00 0.00 H new ATOM 0 HA LYS A 66 87.721 -2.875 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.792 -5.952 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.690 -4.893 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.566 -3.918 9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.639 -4.903 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 66 86.629 -6.979 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 66 87.460 -5.959 10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 66 85.232 -5.008 10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 66 84.418 -6.075 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.485 -7.035 12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 85.393 -7.987 10.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 86.181 -6.954 12.033 1.00 0.00 H new ATOM 1027 N ASN A 67 90.137 -4.169 6.336 1.00 0.00 N ATOM 1028 CA ASN A 67 91.415 -4.330 5.629 1.00 0.00 C ATOM 1029 C ASN A 67 91.488 -3.475 4.364 1.00 0.00 C ATOM 1030 O ASN A 67 91.897 -3.958 3.308 1.00 0.00 O ATOM 1031 CB ASN A 67 91.614 -5.802 5.259 1.00 0.00 C ATOM 1032 CG ASN A 67 91.927 -6.609 6.512 1.00 0.00 C ATOM 1033 OD1 ASN A 67 91.488 -7.748 6.646 1.00 0.00 O ATOM 1034 ND2 ASN A 67 92.681 -6.083 7.444 1.00 0.00 N ATOM 0 H ASN A 67 90.212 -4.214 7.352 1.00 0.00 H new ATOM 0 HA ASN A 67 92.206 -3.996 6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.716 -6.191 4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 67 92.427 -5.899 4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 67 92.904 -6.619 8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 67 93.045 -5.137 7.332 1.00 0.00 H new ATOM 1041 N LEU A 68 91.055 -2.228 4.458 1.00 0.00 N ATOM 1042 CA LEU A 68 91.055 -1.355 3.287 1.00 0.00 C ATOM 1043 C LEU A 68 92.468 -0.976 2.856 1.00 0.00 C ATOM 1044 O LEU A 68 93.139 -0.205 3.530 1.00 0.00 O ATOM 1045 CB LEU A 68 90.275 -0.077 3.600 1.00 0.00 C ATOM 1046 CG LEU A 68 88.817 -0.428 3.912 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.079 0.848 4.347 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.125 -1.042 2.671 1.00 0.00 C ATOM 0 H LEU A 68 90.704 -1.800 5.315 1.00 0.00 H new ATOM 0 HA LEU A 68 90.585 -1.904 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 68 90.725 0.437 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.322 0.606 2.752 1.00 0.00 H new ATOM 0 HG LEU A 68 88.790 -1.165 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.040 0.609 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 68 88.557 1.259 5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.117 1.582 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.090 -1.284 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.147 -0.325 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.650 -1.950 2.374 1.00 0.00 H new ATOM 1060 N ARG A 69 92.896 -1.508 1.704 1.00 0.00 N ATOM 1061 CA ARG A 69 94.226 -1.224 1.144 1.00 0.00 C ATOM 1062 C ARG A 69 94.082 -0.203 0.008 1.00 0.00 C ATOM 1063 O ARG A 69 92.970 0.280 -0.242 1.00 0.00 O ATOM 1064 CB ARG A 69 94.860 -2.536 0.627 1.00 0.00 C ATOM 1065 CG ARG A 69 94.212 -3.731 1.334 1.00 0.00 C ATOM 1066 CD ARG A 69 94.884 -5.029 0.896 1.00 0.00 C ATOM 1067 NE ARG A 69 94.286 -6.163 1.594 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.141 -6.713 1.196 1.00 0.00 C ATOM 1069 NH1 ARG A 69 92.492 -6.209 0.182 1.00 0.00 N1+ ATOM 1070 NH2 ARG A 69 92.667 -7.750 1.834 1.00 0.00 N ATOM 0 H ARG A 69 92.335 -2.143 1.136 1.00 0.00 H new ATOM 0 HA ARG A 69 94.877 -0.808 1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.721 -2.619 -0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.934 -2.530 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.298 -3.615 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.148 -3.767 1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.777 -5.158 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.952 -4.984 1.107 1.00 0.00 H new ATOM 0 HE ARG A 69 94.760 -6.546 2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 69 92.862 -5.393 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 69 91.615 -6.631 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 69 93.174 -8.133 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 69 91.790 -8.176 1.534 1.00 0.00 H new ATOM 1084 N PRO A 70 95.145 0.150 -0.681 1.00 0.00 N ATOM 1085 CA PRO A 70 95.033 1.138 -1.782 1.00 0.00 C ATOM 1086 C PRO A 70 94.262 0.529 -2.957 1.00 0.00 C ATOM 1087 O PRO A 70 93.527 1.224 -3.663 1.00 0.00 O ATOM 1088 CB PRO A 70 96.493 1.513 -2.148 1.00 0.00 C ATOM 1089 CG PRO A 70 97.392 0.711 -1.232 1.00 0.00 C ATOM 1090 CD PRO A 70 96.521 -0.347 -0.521 1.00 0.00 C ATOM 0 HA PRO A 70 94.475 2.031 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.701 1.283 -3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.662 2.582 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 70 98.187 0.230 -1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.873 1.363 -0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.644 -1.332 -0.972 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.790 -0.442 0.531 1.00 0.00 H new ATOM 1098 N GLN A 71 94.437 -0.779 -3.154 1.00 0.00 N ATOM 1099 CA GLN A 71 93.755 -1.470 -4.246 1.00 0.00 C ATOM 1100 C GLN A 71 92.254 -1.278 -4.131 1.00 0.00 C ATOM 1101 O GLN A 71 91.612 -0.829 -5.076 1.00 0.00 O ATOM 1102 CB GLN A 71 94.083 -2.973 -4.230 1.00 0.00 C ATOM 1103 CG GLN A 71 93.356 -3.674 -5.388 1.00 0.00 C ATOM 1104 CD GLN A 71 93.779 -5.136 -5.474 1.00 0.00 C ATOM 1105 OE1 GLN A 71 93.650 -5.882 -4.503 1.00 0.00 O ATOM 1106 NE2 GLN A 71 94.266 -5.600 -6.598 1.00 0.00 N ATOM 0 H GLN A 71 95.036 -1.373 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 71 94.104 -1.044 -5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 71 95.159 -3.121 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.780 -3.411 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 71 92.278 -3.609 -5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.581 -3.168 -6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 71 94.372 -4.981 -7.402 1.00 0.00 H new ATOM 0 HE22 GLN A 71 94.539 -6.580 -6.669 1.00 0.00 H new ATOM 1115 N ASP A 72 91.691 -1.649 -2.987 1.00 0.00 N ATOM 1116 CA ASP A 72 90.246 -1.545 -2.787 1.00 0.00 C ATOM 1117 C ASP A 72 89.700 -0.186 -3.226 1.00 0.00 C ATOM 1118 O ASP A 72 88.618 -0.141 -3.824 1.00 0.00 O ATOM 1119 CB ASP A 72 89.909 -1.782 -1.315 1.00 0.00 C ATOM 1120 CG ASP A 72 90.097 -3.256 -0.943 1.00 0.00 C ATOM 1121 OD1 ASP A 72 90.145 -4.085 -1.840 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 90.190 -3.534 0.242 1.00 0.00 O ATOM 0 H ASP A 72 92.205 -2.022 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 72 89.774 -2.307 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.547 -1.160 -0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.879 -1.482 -1.120 1.00 0.00 H new ATOM 1127 N SER A 73 90.409 0.929 -2.944 1.00 0.00 N ATOM 1128 CA SER A 73 89.916 2.242 -3.354 1.00 0.00 C ATOM 1129 C SER A 73 89.287 2.168 -4.741 1.00 0.00 C ATOM 1130 O SER A 73 89.971 1.905 -5.729 1.00 0.00 O ATOM 1131 CB SER A 73 91.065 3.249 -3.371 1.00 0.00 C ATOM 1132 OG SER A 73 90.601 4.506 -3.854 1.00 0.00 O ATOM 0 H SER A 73 91.300 0.939 -2.447 1.00 0.00 H new ATOM 0 HA SER A 73 89.159 2.564 -2.638 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.474 3.364 -2.367 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.873 2.882 -4.004 1.00 0.00 H new ATOM 0 HG SER A 73 89.842 4.805 -3.311 1.00 0.00 H new ATOM 1138 N CYS A 74 87.973 2.378 -4.802 1.00 0.00 N ATOM 1139 CA CYS A 74 87.254 2.310 -6.076 1.00 0.00 C ATOM 1140 C CYS A 74 85.948 3.110 -6.040 1.00 0.00 C ATOM 1141 O CYS A 74 85.802 4.061 -5.267 1.00 0.00 O ATOM 1142 CB CYS A 74 86.966 0.851 -6.436 1.00 0.00 C ATOM 1143 SG CYS A 74 86.753 0.713 -8.227 1.00 0.00 S ATOM 0 H CYS A 74 87.389 2.594 -3.995 1.00 0.00 H new ATOM 0 HA CYS A 74 87.891 2.756 -6.839 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.786 0.213 -6.105 1.00 0.00 H new ATOM 0 HB3 CYS A 74 86.068 0.508 -5.923 1.00 0.00 H new ATOM 0 HG CYS A 74 86.510 -0.525 -8.541 1.00 0.00 H new ATOM 1149 N ARG A 75 85.010 2.714 -6.903 1.00 0.00 N ATOM 1150 CA ARG A 75 83.708 3.384 -7.016 1.00 0.00 C ATOM 1151 C ARG A 75 82.648 2.684 -6.159 1.00 0.00 C ATOM 1152 O ARG A 75 82.470 1.466 -6.250 1.00 0.00 O ATOM 1153 CB ARG A 75 83.266 3.364 -8.487 1.00 0.00 C ATOM 1154 CG ARG A 75 81.857 3.954 -8.633 1.00 0.00 C ATOM 1155 CD ARG A 75 81.430 3.874 -10.095 1.00 0.00 C ATOM 1156 NE ARG A 75 82.353 4.653 -10.921 1.00 0.00 N ATOM 1157 CZ ARG A 75 82.207 5.962 -11.068 1.00 0.00 C ATOM 1158 NH1 ARG A 75 81.199 6.437 -11.744 1.00 0.00 N ATOM 1159 NH2 ARG A 75 83.068 6.780 -10.542 1.00 0.00 N1+ ATOM 0 H ARG A 75 85.128 1.926 -7.540 1.00 0.00 H new ATOM 0 HA ARG A 75 83.811 4.409 -6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 75 83.970 3.935 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.279 2.341 -8.863 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.154 3.407 -8.006 1.00 0.00 H new ATOM 0 HG3 ARG A 75 81.847 4.990 -8.295 1.00 0.00 H new ATOM 0 HD2 ARG A 75 81.420 2.835 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 75 80.415 4.255 -10.209 1.00 0.00 H new ATOM 0 HE ARG A 75 83.124 4.180 -11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 75 80.520 5.801 -12.162 1.00 0.00 H new ATOM 0 HH12 ARG A 75 81.089 7.445 -11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 75 83.861 6.416 -10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 75 82.952 7.787 -10.658 1.00 0.00 H new ATOM 1173 N VAL A 76 81.924 3.474 -5.354 1.00 0.00 N ATOM 1174 CA VAL A 76 80.850 2.943 -4.500 1.00 0.00 C ATOM 1175 C VAL A 76 79.507 3.443 -5.024 1.00 0.00 C ATOM 1176 O VAL A 76 79.272 4.648 -5.071 1.00 0.00 O ATOM 1177 CB VAL A 76 81.032 3.425 -3.053 1.00 0.00 C ATOM 1178 CG1 VAL A 76 80.075 2.673 -2.116 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.474 3.182 -2.621 1.00 0.00 C ATOM 0 H VAL A 76 82.062 4.482 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 76 80.884 1.854 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 76 80.806 4.490 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 76 80.215 3.025 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 76 79.046 2.855 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 76 80.284 1.604 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.609 3.523 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.698 2.117 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 76 83.148 3.733 -3.277 1.00 0.00 H new ATOM 1189 N THR A 77 78.637 2.527 -5.437 1.00 0.00 N ATOM 1190 CA THR A 77 77.327 2.914 -5.984 1.00 0.00 C ATOM 1191 C THR A 77 76.190 2.101 -5.363 1.00 0.00 C ATOM 1192 O THR A 77 76.220 0.872 -5.340 1.00 0.00 O ATOM 1193 CB THR A 77 77.335 2.680 -7.492 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.428 3.370 -8.081 1.00 0.00 O ATOM 1195 CG2 THR A 77 76.041 3.194 -8.115 1.00 0.00 C ATOM 0 H THR A 77 78.805 1.521 -5.407 1.00 0.00 H new ATOM 0 HA THR A 77 77.158 3.965 -5.751 1.00 0.00 H new ATOM 0 HB THR A 77 77.427 1.609 -7.673 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.429 3.215 -9.049 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.061 3.020 -9.191 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.193 2.667 -7.678 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.943 4.262 -7.922 1.00 0.00 H new ATOM 1203 N PHE A 78 75.175 2.803 -4.879 1.00 0.00 N ATOM 1204 CA PHE A 78 74.004 2.175 -4.273 1.00 0.00 C ATOM 1205 C PHE A 78 72.751 2.667 -4.997 1.00 0.00 C ATOM 1206 O PHE A 78 72.439 3.855 -4.962 1.00 0.00 O ATOM 1207 CB PHE A 78 73.983 2.562 -2.795 1.00 0.00 C ATOM 1208 CG PHE A 78 72.600 2.386 -2.198 1.00 0.00 C ATOM 1209 CD1 PHE A 78 71.943 1.150 -2.270 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.989 3.466 -1.540 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.681 0.995 -1.675 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.730 3.310 -0.956 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.078 2.074 -1.017 1.00 0.00 C ATOM 0 H PHE A 78 75.138 3.822 -4.894 1.00 0.00 H new ATOM 0 HA PHE A 78 74.038 1.089 -4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.699 1.950 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 78 74.300 3.599 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.406 0.319 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 78 72.494 4.419 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.175 0.042 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 78 70.260 4.144 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.109 1.952 -0.556 1.00 0.00 H new ATOM 1223 N LEU A 79 72.048 1.757 -5.682 1.00 0.00 N ATOM 1224 CA LEU A 79 70.849 2.136 -6.451 1.00 0.00 C ATOM 1225 C LEU A 79 69.574 1.513 -5.917 1.00 0.00 C ATOM 1226 O LEU A 79 69.204 0.410 -6.314 1.00 0.00 O ATOM 1227 CB LEU A 79 71.053 1.694 -7.901 1.00 0.00 C ATOM 1228 CG LEU A 79 70.124 2.465 -8.838 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.547 2.158 -10.266 1.00 0.00 C ATOM 1230 CD2 LEU A 79 68.652 2.057 -8.637 1.00 0.00 C ATOM 0 H LEU A 79 72.282 0.765 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 79 70.729 3.216 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 79 72.090 1.858 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.862 0.625 -7.991 1.00 0.00 H new ATOM 0 HG LEU A 79 70.200 3.531 -8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 79 69.901 2.695 -10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.580 2.472 -10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.464 1.087 -10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.020 2.625 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.539 0.992 -8.840 1.00 0.00 H new ATOM 0 HD23 LEU A 79 68.354 2.265 -7.609 1.00 0.00 H new ATOM 1242 N ALA A 80 68.869 2.252 -5.071 1.00 0.00 N ATOM 1243 CA ALA A 80 67.584 1.793 -4.542 1.00 0.00 C ATOM 1244 C ALA A 80 66.466 2.530 -5.275 1.00 0.00 C ATOM 1245 O ALA A 80 66.001 3.574 -4.823 1.00 0.00 O ATOM 1246 CB ALA A 80 67.485 2.059 -3.030 1.00 0.00 C ATOM 0 H ALA A 80 69.161 3.170 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 80 67.494 0.718 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.521 1.709 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.285 1.528 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.579 3.129 -2.842 1.00 0.00 H new ATOM 1252 N GLY A 81 66.028 1.973 -6.394 1.00 0.00 N ATOM 1253 CA GLY A 81 64.952 2.587 -7.166 1.00 0.00 C ATOM 1254 C GLY A 81 65.255 4.048 -7.496 1.00 0.00 C ATOM 1255 O GLY A 81 66.415 4.425 -7.662 1.00 0.00 O ATOM 0 H GLY A 81 66.395 1.106 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.803 2.029 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.020 2.527 -6.603 1.00 0.00 H new ATOM 1259 N ASP A 82 64.183 4.853 -7.644 1.00 0.00 N ATOM 1260 CA ASP A 82 64.310 6.269 -8.009 1.00 0.00 C ATOM 1261 C ASP A 82 65.461 6.954 -7.280 1.00 0.00 C ATOM 1262 O ASP A 82 65.870 8.057 -7.649 1.00 0.00 O ATOM 1263 CB ASP A 82 62.987 7.014 -7.710 1.00 0.00 C ATOM 1264 CG ASP A 82 61.935 6.641 -8.752 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.316 6.116 -9.782 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 60.769 6.897 -8.509 1.00 0.00 O ATOM 0 H ASP A 82 63.221 4.541 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 82 64.527 6.309 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.631 6.756 -6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.155 8.091 -7.720 1.00 0.00 H new ATOM 1271 N MET A 83 65.986 6.298 -6.265 1.00 0.00 N ATOM 1272 CA MET A 83 67.100 6.851 -5.495 1.00 0.00 C ATOM 1273 C MET A 83 68.424 6.292 -5.994 1.00 0.00 C ATOM 1274 O MET A 83 68.695 5.104 -5.844 1.00 0.00 O ATOM 1275 CB MET A 83 66.939 6.475 -4.030 1.00 0.00 C ATOM 1276 CG MET A 83 65.554 6.908 -3.525 1.00 0.00 C ATOM 1277 SD MET A 83 65.466 6.645 -1.738 1.00 0.00 S ATOM 1278 CE MET A 83 63.698 6.943 -1.527 1.00 0.00 C ATOM 0 H MET A 83 65.665 5.383 -5.949 1.00 0.00 H new ATOM 0 HA MET A 83 67.097 7.935 -5.614 1.00 0.00 H new ATOM 0 HB2 MET A 83 67.060 5.399 -3.907 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.718 6.953 -3.436 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.380 7.958 -3.759 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.775 6.336 -4.028 1.00 0.00 H new ATOM 0 HE1 MET A 83 63.510 7.318 -0.521 1.00 0.00 H new ATOM 0 HE2 MET A 83 63.364 7.680 -2.257 1.00 0.00 H new ATOM 0 HE3 MET A 83 63.152 6.012 -1.676 1.00 0.00 H new ATOM 1288 N VAL A 84 69.255 7.152 -6.580 1.00 0.00 N ATOM 1289 CA VAL A 84 70.565 6.732 -7.088 1.00 0.00 C ATOM 1290 C VAL A 84 71.643 7.588 -6.434 1.00 0.00 C ATOM 1291 O VAL A 84 71.540 8.819 -6.414 1.00 0.00 O ATOM 1292 CB VAL A 84 70.625 6.883 -8.619 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.166 8.282 -9.050 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.063 6.648 -9.085 1.00 0.00 C ATOM 0 H VAL A 84 69.048 8.141 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 84 70.728 5.682 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 84 69.957 6.151 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.218 8.363 -10.136 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.139 8.445 -8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 84 70.815 9.033 -8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.116 6.753 -10.169 1.00 0.00 H new ATOM 0 HG22 VAL A 84 72.721 7.380 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.378 5.644 -8.802 1.00 0.00 H new ATOM 1304 N THR A 85 72.660 6.938 -5.869 1.00 0.00 N ATOM 1305 CA THR A 85 73.724 7.664 -5.173 1.00 0.00 C ATOM 1306 C THR A 85 75.093 7.115 -5.561 1.00 0.00 C ATOM 1307 O THR A 85 75.220 5.952 -5.935 1.00 0.00 O ATOM 1308 CB THR A 85 73.528 7.527 -3.654 1.00 0.00 C ATOM 1309 OG1 THR A 85 74.104 6.305 -3.212 1.00 0.00 O ATOM 1310 CG2 THR A 85 72.030 7.523 -3.314 1.00 0.00 C ATOM 0 H THR A 85 72.770 5.924 -5.878 1.00 0.00 H new ATOM 0 HA THR A 85 73.676 8.714 -5.460 1.00 0.00 H new ATOM 0 HB THR A 85 74.010 8.369 -3.158 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.613 5.976 -2.430 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.902 7.426 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.578 8.456 -3.650 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.546 6.684 -3.814 1.00 0.00 H new ATOM 1318 N SER A 86 76.123 7.957 -5.466 1.00 0.00 N ATOM 1319 CA SER A 86 77.476 7.529 -5.805 1.00 0.00 C ATOM 1320 C SER A 86 78.508 8.388 -5.077 1.00 0.00 C ATOM 1321 O SER A 86 78.460 9.616 -5.147 1.00 0.00 O ATOM 1322 CB SER A 86 77.654 7.644 -7.316 1.00 0.00 C ATOM 1323 OG SER A 86 78.991 7.330 -7.675 1.00 0.00 O ATOM 0 H SER A 86 76.046 8.927 -5.161 1.00 0.00 H new ATOM 0 HA SER A 86 77.626 6.495 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.965 6.969 -7.824 1.00 0.00 H new ATOM 0 HB3 SER A 86 77.409 8.655 -7.643 1.00 0.00 H new ATOM 0 HG SER A 86 79.095 7.405 -8.647 1.00 0.00 H new ATOM 1329 N ALA A 87 79.443 7.738 -4.370 1.00 0.00 N ATOM 1330 CA ALA A 87 80.478 8.455 -3.620 1.00 0.00 C ATOM 1331 C ALA A 87 81.839 7.816 -3.859 1.00 0.00 C ATOM 1332 O ALA A 87 81.937 6.611 -4.087 1.00 0.00 O ATOM 1333 CB ALA A 87 80.161 8.426 -2.121 1.00 0.00 C ATOM 0 H ALA A 87 79.502 6.722 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 87 80.499 9.489 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 87 80.937 8.962 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.197 8.903 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.123 7.392 -1.777 1.00 0.00 H new ATOM 1339 N PHE A 88 82.890 8.628 -3.831 1.00 0.00 N ATOM 1340 CA PHE A 88 84.239 8.132 -4.073 1.00 0.00 C ATOM 1341 C PHE A 88 84.831 7.488 -2.834 1.00 0.00 C ATOM 1342 O PHE A 88 84.349 7.673 -1.713 1.00 0.00 O ATOM 1343 CB PHE A 88 85.143 9.274 -4.550 1.00 0.00 C ATOM 1344 CG PHE A 88 84.593 9.848 -5.849 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.690 9.103 -7.033 1.00 0.00 C ATOM 1346 CD2 PHE A 88 83.996 11.117 -5.874 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.199 9.623 -8.236 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.504 11.635 -7.082 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.608 10.885 -8.258 1.00 0.00 C ATOM 0 H PHE A 88 82.834 9.629 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 88 84.176 7.369 -4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.195 10.053 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.159 8.909 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.145 8.124 -7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 88 83.915 11.695 -4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.278 9.047 -9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 88 83.045 12.612 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.229 11.285 -9.187 1.00 0.00 H new ATOM 1359 N LEU A 89 85.913 6.749 -3.054 1.00 0.00 N ATOM 1360 CA LEU A 89 86.635 6.077 -1.973 1.00 0.00 C ATOM 1361 C LEU A 89 88.124 6.385 -2.095 1.00 0.00 C ATOM 1362 O LEU A 89 88.665 6.450 -3.201 1.00 0.00 O ATOM 1363 CB LEU A 89 86.405 4.557 -2.016 1.00 0.00 C ATOM 1364 CG LEU A 89 87.209 3.874 -0.899 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.734 4.380 0.480 1.00 0.00 C ATOM 1366 CD2 LEU A 89 87.008 2.359 -0.986 1.00 0.00 C ATOM 0 H LEU A 89 86.314 6.598 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 89 86.259 6.446 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.344 4.338 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.706 4.162 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 89 88.266 4.113 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.310 3.890 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.880 5.458 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.676 4.149 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.577 1.870 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.950 2.125 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 89 87.354 2.001 -1.956 1.00 0.00 H new ATOM 1378 N THR A 90 88.785 6.578 -0.956 1.00 0.00 N ATOM 1379 CA THR A 90 90.217 6.879 -0.951 1.00 0.00 C ATOM 1380 C THR A 90 90.951 6.104 0.140 1.00 0.00 C ATOM 1381 O THR A 90 90.624 6.215 1.323 1.00 0.00 O ATOM 1382 CB THR A 90 90.435 8.375 -0.722 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.779 9.122 -1.745 1.00 0.00 O ATOM 1384 CG2 THR A 90 91.939 8.680 -0.740 1.00 0.00 C ATOM 0 H THR A 90 88.358 6.532 -0.031 1.00 0.00 H new ATOM 0 HA THR A 90 90.617 6.581 -1.920 1.00 0.00 H new ATOM 0 HB THR A 90 90.019 8.657 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.920 10.080 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 90 92.096 9.746 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.434 8.115 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.356 8.395 -1.706 1.00 0.00 H new ATOM 1392 N VAL A 91 91.982 5.353 -0.269 1.00 0.00 N ATOM 1393 CA VAL A 91 92.793 4.595 0.687 1.00 0.00 C ATOM 1394 C VAL A 91 94.283 4.715 0.354 1.00 0.00 C ATOM 1395 O VAL A 91 94.701 4.432 -0.767 1.00 0.00 O ATOM 1396 CB VAL A 91 92.394 3.125 0.674 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.195 2.388 1.752 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.894 2.988 0.946 1.00 0.00 C ATOM 0 H VAL A 91 92.270 5.256 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 91 92.615 5.012 1.678 1.00 0.00 H new ATOM 0 HB VAL A 91 92.608 2.692 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.919 1.334 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.260 2.484 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.977 2.822 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.617 1.934 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.661 3.414 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.335 3.518 0.175 1.00 0.00 H new ATOM 1408 N ARG A 92 95.077 5.164 1.330 1.00 0.00 N ATOM 1409 CA ARG A 92 96.515 5.366 1.126 1.00 0.00 C ATOM 1410 C ARG A 92 97.318 4.081 1.281 1.00 0.00 C ATOM 1411 O ARG A 92 96.803 3.060 1.719 1.00 0.00 O ATOM 1412 CB ARG A 92 97.020 6.395 2.138 1.00 0.00 C ATOM 1413 CG ARG A 92 96.418 7.758 1.799 1.00 0.00 C ATOM 1414 CD ARG A 92 96.916 8.809 2.788 1.00 0.00 C ATOM 1415 NE ARG A 92 96.334 10.111 2.467 1.00 0.00 N ATOM 1416 CZ ARG A 92 95.099 10.421 2.855 1.00 0.00 C ATOM 1417 NH1 ARG A 92 94.279 9.482 3.250 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 92 94.705 11.659 2.820 1.00 0.00 N ATOM 0 H ARG A 92 94.749 5.394 2.268 1.00 0.00 H new ATOM 0 HA ARG A 92 96.655 5.716 0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.739 6.099 3.149 1.00 0.00 H new ATOM 0 HB3 ARG A 92 98.108 6.447 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 92 96.692 8.043 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 92 95.330 7.703 1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 92 96.646 8.521 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 92 98.004 8.868 2.752 1.00 0.00 H new ATOM 0 HE ARG A 92 96.881 10.791 1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 92 94.585 8.509 3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 92 93.333 9.723 3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 92 95.341 12.388 2.496 1.00 0.00 H new ATOM 0 HH22 ARG A 92 93.760 11.902 3.116 1.00 0.00 H new ATOM 1432 N GLY A 93 98.603 4.161 0.923 1.00 0.00 N ATOM 1433 CA GLY A 93 99.514 3.022 1.026 1.00 0.00 C ATOM 1434 C GLY A 93 100.840 3.475 1.628 1.00 0.00 C ATOM 1435 O GLY A 93 100.913 3.783 2.817 1.00 0.00 O ATOM 0 H GLY A 93 99.036 5.009 0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 93 99.069 2.244 1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 93 99.681 2.588 0.040 1.00 0.00 H new ATOM 1439 N GLY A 94 101.879 3.533 0.792 1.00 0.00 N ATOM 1440 CA GLY A 94 103.205 3.974 1.230 1.00 0.00 C ATOM 1441 C GLY A 94 103.395 5.451 0.897 1.00 0.00 C ATOM 1442 O GLY A 94 103.168 5.869 -0.243 1.00 0.00 O ATOM 0 H GLY A 94 101.827 3.279 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 94 103.314 3.817 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 94 103.976 3.379 0.740 1.00 0.00 H new ATOM 1446 N LEU A 95 103.813 6.250 1.879 1.00 0.00 N ATOM 1447 CA LEU A 95 104.024 7.686 1.658 1.00 0.00 C ATOM 1448 C LEU A 95 105.467 7.976 1.257 1.00 0.00 C ATOM 1449 O LEU A 95 105.711 8.662 0.269 1.00 0.00 O ATOM 1450 CB LEU A 95 103.702 8.451 2.945 1.00 0.00 C ATOM 1451 CG LEU A 95 102.188 8.406 3.211 1.00 0.00 C ATOM 1452 CD1 LEU A 95 101.896 8.925 4.622 1.00 0.00 C ATOM 1453 CD2 LEU A 95 101.444 9.274 2.169 1.00 0.00 C ATOM 0 H LEU A 95 104.011 5.934 2.828 1.00 0.00 H new ATOM 0 HA LEU A 95 103.367 8.006 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 95 104.241 8.013 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 95 104.035 9.485 2.857 1.00 0.00 H new ATOM 0 HG LEU A 95 101.841 7.376 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 95 100.822 8.892 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 95 102.410 8.301 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 95 102.248 9.953 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 95 100.372 9.237 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 95 101.791 10.305 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 95 101.644 8.892 1.168 1.00 0.00 H new ATOM 1465 N GLU A 96 106.421 7.462 2.032 1.00 0.00 N ATOM 1466 CA GLU A 96 107.840 7.675 1.741 1.00 0.00 C ATOM 1467 C GLU A 96 108.611 6.405 2.131 1.00 0.00 C ATOM 1468 O GLU A 96 108.134 5.296 1.884 1.00 0.00 O ATOM 1469 CB GLU A 96 108.378 8.890 2.523 1.00 0.00 C ATOM 1470 CG GLU A 96 107.701 10.174 2.041 1.00 0.00 C ATOM 1471 CD GLU A 96 108.197 11.366 2.859 1.00 0.00 C ATOM 1472 OE1 GLU A 96 109.055 11.167 3.703 1.00 0.00 O ATOM 1473 OE2 GLU A 96 107.719 12.466 2.624 1.00 0.00 O1- ATOM 0 H GLU A 96 106.240 6.898 2.862 1.00 0.00 H new ATOM 0 HA GLU A 96 107.971 7.879 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 96 108.197 8.754 3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 96 109.457 8.968 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 96 107.916 10.333 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 96 106.619 10.082 2.136 1.00 0.00 H new ATOM 1480 N HIS A 97 109.790 6.561 2.736 1.00 0.00 N ATOM 1481 CA HIS A 97 110.597 5.404 3.139 1.00 0.00 C ATOM 1482 C HIS A 97 110.140 4.830 4.481 1.00 0.00 C ATOM 1483 O HIS A 97 109.607 5.553 5.317 1.00 0.00 O ATOM 1484 CB HIS A 97 112.056 5.821 3.242 1.00 0.00 C ATOM 1485 CG HIS A 97 112.195 6.930 4.245 1.00 0.00 C ATOM 1486 ND1 HIS A 97 111.906 8.247 3.926 1.00 0.00 N ATOM 1487 CD2 HIS A 97 112.592 6.935 5.555 1.00 0.00 C ATOM 1488 CE1 HIS A 97 112.133 8.987 5.024 1.00 0.00 C ATOM 1489 NE2 HIS A 97 112.556 8.237 6.049 1.00 0.00 N ATOM 0 H HIS A 97 110.205 7.466 2.957 1.00 0.00 H new ATOM 0 HA HIS A 97 110.472 4.629 2.383 1.00 0.00 H new ATOM 0 HB2 HIS A 97 112.668 4.969 3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 97 112.420 6.150 2.269 1.00 0.00 H new ATOM 0 HD2 HIS A 97 112.888 6.063 6.119 1.00 0.00 H new ATOM 0 HE1 HIS A 97 111.991 10.057 5.074 1.00 0.00 H new ATOM 0 HE2 HIS A 97 112.799 8.551 6.988 1.00 0.00 H new ATOM 1497 N HIS A 98 110.376 3.519 4.688 1.00 0.00 N ATOM 1498 CA HIS A 98 109.997 2.839 5.937 1.00 0.00 C ATOM 1499 C HIS A 98 111.147 1.956 6.413 1.00 0.00 C ATOM 1500 O HIS A 98 111.865 1.367 5.606 1.00 0.00 O ATOM 1501 CB HIS A 98 108.750 1.967 5.711 1.00 0.00 C ATOM 1502 CG HIS A 98 108.355 1.313 7.006 1.00 0.00 C ATOM 1503 ND1 HIS A 98 107.639 1.994 7.981 1.00 0.00 N ATOM 1504 CD2 HIS A 98 108.577 0.054 7.513 1.00 0.00 C ATOM 1505 CE1 HIS A 98 107.459 1.158 9.015 1.00 0.00 C ATOM 1506 NE2 HIS A 98 108.013 -0.041 8.783 1.00 0.00 N ATOM 0 H HIS A 98 110.828 2.912 4.004 1.00 0.00 H new ATOM 0 HA HIS A 98 109.776 3.594 6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 98 107.929 2.578 5.334 1.00 0.00 H new ATOM 0 HB3 HIS A 98 108.955 1.208 4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 98 109.107 -0.738 7.005 1.00 0.00 H new ATOM 0 HE1 HIS A 98 106.933 1.418 9.922 1.00 0.00 H new ATOM 0 HE2 HIS A 98 108.020 -0.850 9.404 1.00 0.00 H new ATOM 1514 N HIS A 99 111.323 1.865 7.725 1.00 0.00 N ATOM 1515 CA HIS A 99 112.387 1.046 8.293 1.00 0.00 C ATOM 1516 C HIS A 99 111.887 -0.382 8.526 1.00 0.00 C ATOM 1517 O HIS A 99 110.876 -0.591 9.203 1.00 0.00 O ATOM 1518 CB HIS A 99 112.862 1.665 9.615 1.00 0.00 C ATOM 1519 CG HIS A 99 113.434 3.041 9.361 1.00 0.00 C ATOM 1520 ND1 HIS A 99 114.695 3.242 8.804 1.00 0.00 N ATOM 1521 CD2 HIS A 99 112.928 4.294 9.594 1.00 0.00 C ATOM 1522 CE1 HIS A 99 114.891 4.572 8.722 1.00 0.00 C ATOM 1523 NE2 HIS A 99 113.844 5.258 9.187 1.00 0.00 N ATOM 0 H HIS A 99 110.745 2.346 8.414 1.00 0.00 H new ATOM 0 HA HIS A 99 113.223 1.010 7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 99 112.030 1.731 10.316 1.00 0.00 H new ATOM 0 HB3 HIS A 99 113.616 1.027 10.075 1.00 0.00 H new ATOM 0 HD2 HIS A 99 111.962 4.501 10.029 1.00 0.00 H new ATOM 0 HE1 HIS A 99 115.787 5.029 8.328 1.00 0.00 H new ATOM 0 HE2 HIS A 99 113.739 6.271 9.234 1.00 0.00 H new ATOM 1531 N HIS A 100 112.591 -1.349 7.935 1.00 0.00 N ATOM 1532 CA HIS A 100 112.228 -2.766 8.051 1.00 0.00 C ATOM 1533 C HIS A 100 113.464 -3.602 8.364 1.00 0.00 C ATOM 1534 O HIS A 100 114.518 -3.452 7.734 1.00 0.00 O ATOM 1535 CB HIS A 100 111.587 -3.254 6.749 1.00 0.00 C ATOM 1536 CG HIS A 100 111.103 -4.663 6.941 1.00 0.00 C ATOM 1537 ND1 HIS A 100 110.106 -4.981 7.849 1.00 0.00 N ATOM 1538 CD2 HIS A 100 111.483 -5.858 6.370 1.00 0.00 C ATOM 1539 CE1 HIS A 100 109.928 -6.315 7.806 1.00 0.00 C ATOM 1540 NE2 HIS A 100 110.740 -6.897 6.921 1.00 0.00 N ATOM 0 H HIS A 100 113.421 -1.177 7.368 1.00 0.00 H new ATOM 0 HA HIS A 100 111.510 -2.877 8.864 1.00 0.00 H new ATOM 0 HB2 HIS A 100 110.756 -2.605 6.472 1.00 0.00 H new ATOM 0 HB3 HIS A 100 112.310 -3.212 5.934 1.00 0.00 H new ATOM 0 HD2 HIS A 100 112.242 -5.971 5.610 1.00 0.00 H new ATOM 0 HE1 HIS A 100 109.214 -6.850 8.415 1.00 0.00 H new ATOM 0 HE2 HIS A 100 110.802 -7.890 6.697 1.00 0.00 H new ATOM 1548 N HIS A 101 113.333 -4.479 9.354 1.00 0.00 N ATOM 1549 CA HIS A 101 114.436 -5.337 9.772 1.00 0.00 C ATOM 1550 C HIS A 101 114.331 -6.707 9.123 1.00 0.00 C ATOM 1551 O HIS A 101 113.368 -7.440 9.349 1.00 0.00 O ATOM 1552 CB HIS A 101 114.397 -5.490 11.287 1.00 0.00 C ATOM 1553 CG HIS A 101 115.621 -6.235 11.750 1.00 0.00 C ATOM 1554 ND1 HIS A 101 115.539 -7.367 12.544 1.00 0.00 N ATOM 1555 CD2 HIS A 101 116.960 -6.021 11.538 1.00 0.00 C ATOM 1556 CE1 HIS A 101 116.796 -7.793 12.774 1.00 0.00 C ATOM 1557 NE2 HIS A 101 117.700 -7.002 12.184 1.00 0.00 N ATOM 0 H HIS A 101 112.471 -4.614 9.883 1.00 0.00 H new ATOM 0 HA HIS A 101 115.376 -4.880 9.462 1.00 0.00 H new ATOM 0 HB2 HIS A 101 114.355 -4.509 11.761 1.00 0.00 H new ATOM 0 HB3 HIS A 101 113.497 -6.027 11.586 1.00 0.00 H new ATOM 0 HD2 HIS A 101 117.375 -5.211 10.956 1.00 0.00 H new ATOM 0 HE1 HIS A 101 117.044 -8.665 13.362 1.00 0.00 H new ATOM 0 HE2 HIS A 101 118.715 -7.099 12.205 1.00 0.00 H new ATOM 1565 N HIS A 102 115.336 -7.048 8.328 1.00 0.00 N ATOM 1566 CA HIS A 102 115.357 -8.339 7.655 1.00 0.00 C ATOM 1567 C HIS A 102 114.077 -8.555 6.856 1.00 0.00 C ATOM 1568 O HIS A 102 113.060 -8.837 7.471 1.00 0.00 O ATOM 1569 CB HIS A 102 115.499 -9.436 8.706 1.00 0.00 C ATOM 1570 CG HIS A 102 115.890 -10.728 8.048 1.00 0.00 C ATOM 1571 ND1 HIS A 102 117.190 -10.981 7.642 1.00 0.00 N ATOM 1572 CD2 HIS A 102 115.167 -11.850 7.721 1.00 0.00 C ATOM 1573 CE1 HIS A 102 117.210 -12.209 7.100 1.00 0.00 C ATOM 1574 NE2 HIS A 102 116.003 -12.784 7.122 1.00 0.00 N ATOM 1575 OXT HIS A 102 114.132 -8.441 5.646 1.00 0.00 O ATOM 0 H HIS A 102 116.142 -6.453 8.134 1.00 0.00 H new ATOM 0 HA HIS A 102 116.198 -8.368 6.962 1.00 0.00 H new ATOM 0 HB2 HIS A 102 116.251 -9.151 9.442 1.00 0.00 H new ATOM 0 HB3 HIS A 102 114.559 -9.561 9.243 1.00 0.00 H new ATOM 0 HD2 HIS A 102 114.111 -11.985 7.902 1.00 0.00 H new ATOM 0 HE1 HIS A 102 118.095 -12.677 6.695 1.00 0.00 H new ATOM 0 HE2 HIS A 102 115.751 -13.709 6.774 1.00 0.00 H new TER 1583 HIS A 102