USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=18 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 Set 1.1: A 3 LYS NZ :NH3+ 138:sc= -0.483! (180deg=0) USER MOD Set 1.2: A 5 THR OG1 : rot -120:sc= -0.875! USER MOD Single : A 1 THR N :NH3+ 175:sc= -1.13 (180deg=-1.25) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.1!) USER MOD Single : A 12 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.045) USER MOD Single : A 25 CYS SG : rot 171:sc=0.000588 USER MOD Single : A 26 GLN : amide:sc= -2.66! C(o=-2.7!,f=-10!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.7!) USER MOD Single : A 35 HIS : no HE2:sc= -10.1! C(o=-10!,f=-16!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -52:sc= -2.06! USER MOD Single : A 47 SER OG : rot 180:sc= -0.839! USER MOD Single : A 49 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.021) USER MOD Single : A 57 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.5) USER MOD Single : A 61 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-9.6!) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= -0.0084 (180deg=-0.175) USER MOD Single : A 67 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 73 SER OG : rot 98:sc= 0.469 USER MOD Single : A 74 CYS SG : rot 50:sc= 0.0569! USER MOD Single : A 77 THR OG1 : rot -45:sc= 0.962 USER MOD Single : A 83 MET CE :methyl -158:sc= -2.06 (180deg=-2.94!) USER MOD Single : A 85 THR OG1 : rot -130:sc= -0.111 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0827 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.952 K(o=-0.95,f=-1.9!) USER MOD Single : A 100 HIS : no HD1:sc= -0.785 X(o=-0.79,f=-0.53) USER MOD Single : A 101 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.1) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 56.643 1.527 -3.940 1.00 0.00 N ATOM 2 CA THR A 1 55.253 0.983 -3.940 1.00 0.00 C ATOM 3 C THR A 1 54.294 2.039 -3.417 1.00 0.00 C ATOM 4 O THR A 1 53.105 2.020 -3.731 1.00 0.00 O ATOM 5 CB THR A 1 55.185 -0.253 -3.042 1.00 0.00 C ATOM 6 OG1 THR A 1 53.827 -0.633 -2.868 1.00 0.00 O ATOM 7 CG2 THR A 1 55.796 0.066 -1.677 1.00 0.00 C ATOM 0 H1 THR A 1 57.309 0.778 -4.217 1.00 0.00 H new ATOM 0 H2 THR A 1 56.707 2.315 -4.616 1.00 0.00 H new ATOM 0 H3 THR A 1 56.882 1.868 -2.987 1.00 0.00 H new ATOM 0 HA THR A 1 54.974 0.709 -4.957 1.00 0.00 H new ATOM 0 HB THR A 1 55.741 -1.067 -3.507 1.00 0.00 H new ATOM 0 HG1 THR A 1 53.780 -1.426 -2.294 1.00 0.00 H new ATOM 0 HG21 THR A 1 55.745 -0.817 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 1 56.837 0.362 -1.805 1.00 0.00 H new ATOM 0 HG23 THR A 1 55.241 0.881 -1.212 1.00 0.00 H new ATOM 17 N ALA A 2 54.812 2.953 -2.602 1.00 0.00 N ATOM 18 CA ALA A 2 53.985 4.006 -2.020 1.00 0.00 C ATOM 19 C ALA A 2 54.750 5.321 -1.936 1.00 0.00 C ATOM 20 O ALA A 2 54.190 6.389 -2.189 1.00 0.00 O ATOM 21 CB ALA A 2 53.556 3.589 -0.614 1.00 0.00 C ATOM 0 H ALA A 2 55.795 2.987 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 2 53.113 4.151 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.938 4.372 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.984 2.663 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.440 3.434 0.005 1.00 0.00 H new ATOM 27 N LYS A 3 56.022 5.243 -1.565 1.00 0.00 N ATOM 28 CA LYS A 3 56.838 6.444 -1.437 1.00 0.00 C ATOM 29 C LYS A 3 58.316 6.079 -1.353 1.00 0.00 C ATOM 30 O LYS A 3 58.719 5.329 -0.467 1.00 0.00 O ATOM 31 CB LYS A 3 56.432 7.184 -0.155 1.00 0.00 C ATOM 32 CG LYS A 3 57.132 8.550 -0.058 1.00 0.00 C ATOM 33 CD LYS A 3 56.540 9.528 -1.089 1.00 0.00 C ATOM 34 CE LYS A 3 56.884 10.970 -0.706 1.00 0.00 C ATOM 35 NZ LYS A 3 58.335 11.215 -0.945 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.507 4.372 -1.350 1.00 0.00 H new ATOM 0 HA LYS A 3 56.680 7.077 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.351 7.324 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.688 6.578 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 3 57.015 8.956 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 3 58.202 8.431 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 3 56.932 9.304 -2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 3 55.458 9.405 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 3 56.285 11.666 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 3 56.642 11.147 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 58.462 12.152 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 58.847 11.179 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 58.710 10.485 -1.584 1.00 0.00 H new ATOM 49 N ASN A 4 59.135 6.636 -2.246 1.00 0.00 N ATOM 50 CA ASN A 4 60.570 6.379 -2.221 1.00 0.00 C ATOM 51 C ASN A 4 61.292 7.692 -2.482 1.00 0.00 C ATOM 52 O ASN A 4 61.224 8.226 -3.589 1.00 0.00 O ATOM 53 CB ASN A 4 60.938 5.346 -3.289 1.00 0.00 C ATOM 54 CG ASN A 4 60.614 5.880 -4.681 1.00 0.00 C ATOM 55 OD1 ASN A 4 61.420 6.596 -5.275 1.00 0.00 O ATOM 56 ND2 ASN A 4 59.475 5.570 -5.245 1.00 0.00 N ATOM 0 H ASN A 4 58.829 7.263 -2.990 1.00 0.00 H new ATOM 0 HA ASN A 4 60.865 5.980 -1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.999 5.107 -3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.391 4.420 -3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 4 59.255 5.922 -6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 4 58.807 4.977 -4.753 1.00 0.00 H new ATOM 63 N THR A 5 61.972 8.234 -1.466 1.00 0.00 N ATOM 64 CA THR A 5 62.677 9.508 -1.638 1.00 0.00 C ATOM 65 C THR A 5 63.969 9.537 -0.828 1.00 0.00 C ATOM 66 O THR A 5 63.944 9.559 0.402 1.00 0.00 O ATOM 67 CB THR A 5 61.767 10.658 -1.192 1.00 0.00 C ATOM 68 OG1 THR A 5 60.563 10.625 -1.944 1.00 0.00 O ATOM 69 CG2 THR A 5 62.471 11.999 -1.421 1.00 0.00 C ATOM 0 H THR A 5 62.049 7.822 -0.536 1.00 0.00 H new ATOM 0 HA THR A 5 62.932 9.620 -2.692 1.00 0.00 H new ATOM 0 HB THR A 5 61.542 10.547 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.463 11.465 -2.439 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.818 12.812 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.395 12.028 -0.844 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.701 12.113 -2.480 1.00 0.00 H new ATOM 77 N VAL A 6 65.095 9.528 -1.530 1.00 0.00 N ATOM 78 CA VAL A 6 66.396 9.545 -0.869 1.00 0.00 C ATOM 79 C VAL A 6 66.610 10.856 -0.123 1.00 0.00 C ATOM 80 O VAL A 6 66.470 11.939 -0.690 1.00 0.00 O ATOM 81 CB VAL A 6 67.521 9.337 -1.893 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.739 10.617 -2.714 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.819 8.980 -1.161 1.00 0.00 C ATOM 0 H VAL A 6 65.136 9.509 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 6 66.417 8.728 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 6 67.239 8.527 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.539 10.454 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.820 10.871 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 6 68.012 11.435 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.618 8.832 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.090 9.790 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.674 8.063 -0.590 1.00 0.00 H new ATOM 93 N VAL A 7 66.985 10.738 1.145 1.00 0.00 N ATOM 94 CA VAL A 7 67.263 11.902 1.974 1.00 0.00 C ATOM 95 C VAL A 7 68.729 12.261 1.784 1.00 0.00 C ATOM 96 O VAL A 7 69.082 13.416 1.545 1.00 0.00 O ATOM 97 CB VAL A 7 66.961 11.573 3.437 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.169 12.814 4.309 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.509 11.102 3.558 1.00 0.00 C ATOM 0 H VAL A 7 67.104 9.844 1.622 1.00 0.00 H new ATOM 0 HA VAL A 7 66.638 12.748 1.689 1.00 0.00 H new ATOM 0 HB VAL A 7 67.635 10.786 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.951 12.569 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.203 13.149 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.501 13.609 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.289 10.866 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.841 11.892 3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.363 10.212 2.946 1.00 0.00 H new ATOM 109 N ARG A 8 69.567 11.229 1.846 1.00 0.00 N ATOM 110 CA ARG A 8 70.996 11.372 1.635 1.00 0.00 C ATOM 111 C ARG A 8 71.540 10.066 1.081 1.00 0.00 C ATOM 112 O ARG A 8 71.004 8.990 1.345 1.00 0.00 O ATOM 113 CB ARG A 8 71.728 11.733 2.932 1.00 0.00 C ATOM 114 CG ARG A 8 73.246 11.726 2.682 1.00 0.00 C ATOM 115 CD ARG A 8 73.973 12.201 3.939 1.00 0.00 C ATOM 116 NE ARG A 8 73.701 13.614 4.192 1.00 0.00 N ATOM 117 CZ ARG A 8 74.253 14.571 3.448 1.00 0.00 C ATOM 118 NH1 ARG A 8 75.205 14.279 2.604 1.00 0.00 N ATOM 119 NH2 ARG A 8 73.846 15.806 3.570 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.270 10.273 2.044 1.00 0.00 H new ATOM 0 HA ARG A 8 71.163 12.185 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.410 12.716 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.474 11.020 3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.577 10.722 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.490 12.375 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.656 11.606 4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 8 75.046 12.047 3.824 1.00 0.00 H new ATOM 0 HE ARG A 8 73.075 13.873 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.528 13.316 2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 8 75.626 15.014 2.036 1.00 0.00 H new ATOM 0 HH21 ARG A 8 73.107 16.036 4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 8 74.267 16.540 3.001 1.00 0.00 H new ATOM 133 N GLY A 9 72.610 10.173 0.318 1.00 0.00 N ATOM 134 CA GLY A 9 73.251 9.007 -0.280 1.00 0.00 C ATOM 135 C GLY A 9 74.610 8.740 0.348 1.00 0.00 C ATOM 136 O GLY A 9 74.792 8.892 1.555 1.00 0.00 O ATOM 0 H GLY A 9 73.060 11.060 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.612 8.133 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.368 9.164 -1.352 1.00 0.00 H new ATOM 140 N LEU A 10 75.551 8.323 -0.487 1.00 0.00 N ATOM 141 CA LEU A 10 76.897 8.010 -0.029 1.00 0.00 C ATOM 142 C LEU A 10 77.751 9.271 0.080 1.00 0.00 C ATOM 143 O LEU A 10 77.464 10.287 -0.554 1.00 0.00 O ATOM 144 CB LEU A 10 77.540 7.030 -1.011 1.00 0.00 C ATOM 145 CG LEU A 10 76.587 5.847 -1.246 1.00 0.00 C ATOM 146 CD1 LEU A 10 77.227 4.836 -2.215 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.259 5.171 0.096 1.00 0.00 C ATOM 0 H LEU A 10 75.406 8.193 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 10 76.835 7.562 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.755 7.531 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.491 6.673 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 10 75.662 6.214 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.543 4.002 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 10 77.432 5.325 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 10 78.159 4.465 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.583 4.333 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.179 4.808 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.782 5.892 0.760 1.00 0.00 H new ATOM 159 N GLU A 11 78.816 9.183 0.877 1.00 0.00 N ATOM 160 CA GLU A 11 79.746 10.299 1.071 1.00 0.00 C ATOM 161 C GLU A 11 81.179 9.803 0.947 1.00 0.00 C ATOM 162 O GLU A 11 81.459 8.629 1.185 1.00 0.00 O ATOM 163 CB GLU A 11 79.561 10.925 2.457 1.00 0.00 C ATOM 164 CG GLU A 11 78.250 11.706 2.516 1.00 0.00 C ATOM 165 CD GLU A 11 78.094 12.330 3.900 1.00 0.00 C ATOM 166 OE1 GLU A 11 78.957 12.096 4.732 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 77.122 13.034 4.108 1.00 0.00 O ATOM 0 H GLU A 11 79.059 8.344 1.403 1.00 0.00 H new ATOM 0 HA GLU A 11 79.540 11.049 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.562 10.145 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.397 11.588 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.242 12.483 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.410 11.044 2.307 1.00 0.00 H new ATOM 174 N ASN A 12 82.085 10.700 0.582 1.00 0.00 N ATOM 175 CA ASN A 12 83.485 10.326 0.441 1.00 0.00 C ATOM 176 C ASN A 12 84.010 9.773 1.761 1.00 0.00 C ATOM 177 O ASN A 12 83.567 10.186 2.832 1.00 0.00 O ATOM 178 CB ASN A 12 84.319 11.542 0.030 1.00 0.00 C ATOM 179 CG ASN A 12 83.779 12.139 -1.264 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.755 13.360 -1.421 1.00 0.00 O ATOM 181 ND2 ASN A 12 83.339 11.349 -2.204 1.00 0.00 N ATOM 0 H ASN A 12 81.880 11.679 0.381 1.00 0.00 H new ATOM 0 HA ASN A 12 83.565 9.561 -0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 12 84.297 12.291 0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 12 85.361 11.249 -0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 12 82.974 11.742 -3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 12 83.360 10.338 -2.072 1.00 0.00 H new ATOM 188 N VAL A 13 84.966 8.849 1.680 1.00 0.00 N ATOM 189 CA VAL A 13 85.561 8.258 2.887 1.00 0.00 C ATOM 190 C VAL A 13 87.081 8.199 2.739 1.00 0.00 C ATOM 191 O VAL A 13 87.596 7.778 1.702 1.00 0.00 O ATOM 192 CB VAL A 13 84.988 6.855 3.127 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.546 6.274 4.430 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.464 6.938 3.230 1.00 0.00 C ATOM 0 H VAL A 13 85.345 8.493 0.802 1.00 0.00 H new ATOM 0 HA VAL A 13 85.317 8.881 3.748 1.00 0.00 H new ATOM 0 HB VAL A 13 85.271 6.211 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.133 5.278 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.632 6.210 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.271 6.920 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.056 5.942 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.190 7.589 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.058 7.342 2.303 1.00 0.00 H new ATOM 204 N GLU A 14 87.796 8.641 3.776 1.00 0.00 N ATOM 205 CA GLU A 14 89.266 8.658 3.756 1.00 0.00 C ATOM 206 C GLU A 14 89.841 7.882 4.942 1.00 0.00 C ATOM 207 O GLU A 14 89.506 8.160 6.093 1.00 0.00 O ATOM 208 CB GLU A 14 89.752 10.111 3.809 1.00 0.00 C ATOM 209 CG GLU A 14 91.280 10.150 3.750 1.00 0.00 C ATOM 210 CD GLU A 14 91.757 11.598 3.671 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.933 12.461 3.409 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 92.937 11.822 3.876 1.00 0.00 O ATOM 0 H GLU A 14 87.384 8.992 4.641 1.00 0.00 H new ATOM 0 HA GLU A 14 89.608 8.180 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.332 10.675 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.402 10.588 4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.700 9.667 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.634 9.593 2.883 1.00 0.00 H new ATOM 219 N ALA A 15 90.718 6.917 4.660 1.00 0.00 N ATOM 220 CA ALA A 15 91.336 6.127 5.727 1.00 0.00 C ATOM 221 C ALA A 15 92.675 5.542 5.280 1.00 0.00 C ATOM 222 O ALA A 15 92.866 5.225 4.107 1.00 0.00 O ATOM 223 CB ALA A 15 90.405 4.986 6.148 1.00 0.00 C ATOM 0 H ALA A 15 91.013 6.666 3.717 1.00 0.00 H new ATOM 0 HA ALA A 15 91.510 6.793 6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.876 4.406 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 15 89.464 5.399 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 15 90.212 4.339 5.292 1.00 0.00 H new ATOM 229 N LEU A 16 93.596 5.394 6.228 1.00 0.00 N ATOM 230 CA LEU A 16 94.907 4.837 5.921 1.00 0.00 C ATOM 231 C LEU A 16 94.799 3.322 5.740 1.00 0.00 C ATOM 232 O LEU A 16 93.824 2.705 6.165 1.00 0.00 O ATOM 233 CB LEU A 16 95.897 5.153 7.052 1.00 0.00 C ATOM 234 CG LEU A 16 96.405 6.593 6.920 1.00 0.00 C ATOM 235 CD1 LEU A 16 95.228 7.569 7.004 1.00 0.00 C ATOM 236 CD2 LEU A 16 97.390 6.888 8.055 1.00 0.00 C ATOM 0 H LEU A 16 93.460 5.650 7.206 1.00 0.00 H new ATOM 0 HA LEU A 16 95.270 5.286 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 16 95.412 5.017 8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 16 96.736 4.458 7.016 1.00 0.00 H new ATOM 0 HG LEU A 16 96.903 6.712 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 16 95.595 8.591 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 16 94.524 7.360 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 16 94.726 7.451 7.964 1.00 0.00 H new ATOM 0 HD21 LEU A 16 97.754 7.912 7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 16 96.887 6.765 9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 16 98.231 6.198 7.995 1.00 0.00 H new ATOM 248 N GLU A 17 95.809 2.736 5.107 1.00 0.00 N ATOM 249 CA GLU A 17 95.832 1.296 4.871 1.00 0.00 C ATOM 250 C GLU A 17 95.448 0.511 6.129 1.00 0.00 C ATOM 251 O GLU A 17 95.735 0.927 7.251 1.00 0.00 O ATOM 252 CB GLU A 17 97.233 0.888 4.410 1.00 0.00 C ATOM 253 CG GLU A 17 97.266 -0.606 4.082 1.00 0.00 C ATOM 254 CD GLU A 17 98.648 -0.987 3.563 1.00 0.00 C ATOM 255 OE1 GLU A 17 99.555 -1.088 4.371 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 98.781 -1.163 2.365 1.00 0.00 O ATOM 0 H GLU A 17 96.623 3.235 4.748 1.00 0.00 H new ATOM 0 HA GLU A 17 95.098 1.061 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.518 1.467 3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.960 1.113 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 17 97.027 -1.189 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 17 96.508 -0.841 3.334 1.00 0.00 H new ATOM 263 N GLY A 18 94.803 -0.635 5.915 1.00 0.00 N ATOM 264 CA GLY A 18 94.376 -1.508 7.005 1.00 0.00 C ATOM 265 C GLY A 18 93.319 -0.844 7.881 1.00 0.00 C ATOM 266 O GLY A 18 93.172 -1.181 9.054 1.00 0.00 O ATOM 0 H GLY A 18 94.563 -0.982 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.977 -2.435 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.238 -1.776 7.616 1.00 0.00 H new ATOM 270 N GLY A 19 92.586 0.109 7.309 1.00 0.00 N ATOM 271 CA GLY A 19 91.548 0.818 8.057 1.00 0.00 C ATOM 272 C GLY A 19 90.171 0.204 7.831 1.00 0.00 C ATOM 273 O GLY A 19 90.031 -0.820 7.166 1.00 0.00 O ATOM 0 H GLY A 19 92.689 0.407 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.786 0.796 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.533 1.865 7.756 1.00 0.00 H new ATOM 277 N GLU A 20 89.161 0.861 8.389 1.00 0.00 N ATOM 278 CA GLU A 20 87.770 0.428 8.261 1.00 0.00 C ATOM 279 C GLU A 20 86.981 1.548 7.597 1.00 0.00 C ATOM 280 O GLU A 20 87.404 2.705 7.634 1.00 0.00 O ATOM 281 CB GLU A 20 87.198 0.122 9.651 1.00 0.00 C ATOM 282 CG GLU A 20 85.747 -0.354 9.530 1.00 0.00 C ATOM 283 CD GLU A 20 85.210 -0.745 10.904 1.00 0.00 C ATOM 284 OE1 GLU A 20 85.835 -0.381 11.887 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 84.179 -1.397 10.952 1.00 0.00 O ATOM 0 H GLU A 20 89.281 1.709 8.943 1.00 0.00 H new ATOM 0 HA GLU A 20 87.705 -0.476 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 20 87.800 -0.643 10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.246 1.013 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.131 0.436 9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.690 -1.206 8.852 1.00 0.00 H new ATOM 292 N ALA A 21 85.844 1.227 6.981 1.00 0.00 N ATOM 293 CA ALA A 21 85.049 2.277 6.316 1.00 0.00 C ATOM 294 C ALA A 21 83.562 1.994 6.433 1.00 0.00 C ATOM 295 O ALA A 21 83.134 0.842 6.382 1.00 0.00 O ATOM 296 CB ALA A 21 85.443 2.386 4.833 1.00 0.00 C ATOM 0 H ALA A 21 85.457 0.285 6.924 1.00 0.00 H new ATOM 0 HA ALA A 21 85.260 3.223 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.849 3.164 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.501 2.638 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.259 1.433 4.337 1.00 0.00 H new ATOM 302 N LEU A 22 82.773 3.063 6.586 1.00 0.00 N ATOM 303 CA LEU A 22 81.323 2.925 6.703 1.00 0.00 C ATOM 304 C LEU A 22 80.598 3.833 5.720 1.00 0.00 C ATOM 305 O LEU A 22 80.698 5.058 5.794 1.00 0.00 O ATOM 306 CB LEU A 22 80.850 3.266 8.126 1.00 0.00 C ATOM 307 CG LEU A 22 81.501 2.323 9.166 1.00 0.00 C ATOM 308 CD1 LEU A 22 82.843 2.894 9.645 1.00 0.00 C ATOM 309 CD2 LEU A 22 80.574 2.182 10.382 1.00 0.00 C ATOM 0 H LEU A 22 83.113 4.024 6.631 1.00 0.00 H new ATOM 0 HA LEU A 22 81.086 1.886 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.102 4.300 8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.765 3.182 8.183 1.00 0.00 H new ATOM 0 HG LEU A 22 81.665 1.354 8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.286 2.218 10.376 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.517 3.002 8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.680 3.869 10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.033 1.518 11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.412 3.162 10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 22 79.618 1.766 10.064 1.00 0.00 H new ATOM 321 N PHE A 23 79.839 3.214 4.819 1.00 0.00 N ATOM 322 CA PHE A 23 79.050 3.941 3.828 1.00 0.00 C ATOM 323 C PHE A 23 77.567 3.719 4.120 1.00 0.00 C ATOM 324 O PHE A 23 77.027 2.663 3.796 1.00 0.00 O ATOM 325 CB PHE A 23 79.360 3.398 2.426 1.00 0.00 C ATOM 326 CG PHE A 23 80.686 3.912 1.925 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.740 5.111 1.208 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.856 3.174 2.148 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.963 5.578 0.719 1.00 0.00 C ATOM 330 CE2 PHE A 23 83.079 3.639 1.655 1.00 0.00 C ATOM 331 CZ PHE A 23 83.132 4.844 0.939 1.00 0.00 C ATOM 0 H PHE A 23 79.754 2.200 4.755 1.00 0.00 H new ATOM 0 HA PHE A 23 79.293 5.002 3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 23 79.375 2.308 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 23 78.569 3.691 1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.837 5.676 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 23 81.813 2.247 2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 23 82.005 6.507 0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 23 83.982 3.071 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 23 84.076 5.205 0.558 1.00 0.00 H new ATOM 341 N GLU A 24 76.908 4.703 4.744 1.00 0.00 N ATOM 342 CA GLU A 24 75.481 4.569 5.080 1.00 0.00 C ATOM 343 C GLU A 24 74.665 5.709 4.496 1.00 0.00 C ATOM 344 O GLU A 24 75.191 6.781 4.193 1.00 0.00 O ATOM 345 CB GLU A 24 75.293 4.525 6.599 1.00 0.00 C ATOM 346 CG GLU A 24 75.630 5.878 7.221 1.00 0.00 C ATOM 347 CD GLU A 24 75.682 5.744 8.740 1.00 0.00 C ATOM 348 OE1 GLU A 24 74.823 5.066 9.283 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 76.576 6.319 9.337 1.00 0.00 O ATOM 0 H GLU A 24 77.330 5.589 5.024 1.00 0.00 H new ATOM 0 HA GLU A 24 75.126 3.635 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 24 74.264 4.256 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 24 75.931 3.752 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 24 76.589 6.234 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 24 74.881 6.617 6.936 1.00 0.00 H new ATOM 356 N CYS A 25 73.369 5.457 4.326 1.00 0.00 N ATOM 357 CA CYS A 25 72.464 6.450 3.760 1.00 0.00 C ATOM 358 C CYS A 25 71.081 6.330 4.394 1.00 0.00 C ATOM 359 O CYS A 25 70.711 5.279 4.923 1.00 0.00 O ATOM 360 CB CYS A 25 72.366 6.232 2.243 1.00 0.00 C ATOM 361 SG CYS A 25 72.524 4.468 1.885 1.00 0.00 S ATOM 0 H CYS A 25 72.924 4.573 4.573 1.00 0.00 H new ATOM 0 HA CYS A 25 72.851 7.448 3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 25 71.413 6.607 1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 25 73.150 6.791 1.732 1.00 0.00 H new ATOM 0 HG CYS A 25 72.251 4.253 0.632 1.00 0.00 H new ATOM 367 N GLN A 26 70.325 7.422 4.322 1.00 0.00 N ATOM 368 CA GLN A 26 68.973 7.466 4.874 1.00 0.00 C ATOM 369 C GLN A 26 67.975 7.537 3.726 1.00 0.00 C ATOM 370 O GLN A 26 67.923 8.527 2.999 1.00 0.00 O ATOM 371 CB GLN A 26 68.831 8.703 5.756 1.00 0.00 C ATOM 372 CG GLN A 26 69.878 8.663 6.868 1.00 0.00 C ATOM 373 CD GLN A 26 69.722 9.881 7.770 1.00 0.00 C ATOM 374 OE1 GLN A 26 70.327 9.947 8.840 1.00 0.00 O ATOM 375 NE2 GLN A 26 68.933 10.853 7.403 1.00 0.00 N ATOM 0 H GLN A 26 70.627 8.293 3.885 1.00 0.00 H new ATOM 0 HA GLN A 26 68.782 6.574 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 26 68.956 9.605 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 26 67.830 8.742 6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.766 7.750 7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 26 70.879 8.645 6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 26 68.433 10.796 6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 26 68.817 11.670 8.003 1.00 0.00 H new ATOM 384 N LEU A 27 67.205 6.468 3.548 1.00 0.00 N ATOM 385 CA LEU A 27 66.230 6.393 2.456 1.00 0.00 C ATOM 386 C LEU A 27 64.808 6.262 3.001 1.00 0.00 C ATOM 387 O LEU A 27 64.543 5.444 3.882 1.00 0.00 O ATOM 388 CB LEU A 27 66.591 5.176 1.586 1.00 0.00 C ATOM 389 CG LEU A 27 65.811 5.185 0.244 1.00 0.00 C ATOM 390 CD1 LEU A 27 66.656 4.511 -0.846 1.00 0.00 C ATOM 391 CD2 LEU A 27 64.492 4.413 0.381 1.00 0.00 C ATOM 0 H LEU A 27 67.234 5.640 4.143 1.00 0.00 H new ATOM 0 HA LEU A 27 66.264 7.307 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 27 67.662 5.176 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 27 66.369 4.259 2.131 1.00 0.00 H new ATOM 0 HG LEU A 27 65.600 6.221 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 27 66.107 4.518 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 27 67.593 5.054 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 27 66.868 3.482 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 27 63.960 4.431 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 27 64.702 3.381 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 27 63.876 4.879 1.150 1.00 0.00 H new ATOM 403 N SER A 28 63.894 7.073 2.461 1.00 0.00 N ATOM 404 CA SER A 28 62.494 7.040 2.891 1.00 0.00 C ATOM 405 C SER A 28 61.714 6.005 2.080 1.00 0.00 C ATOM 406 O SER A 28 61.219 6.304 0.998 1.00 0.00 O ATOM 407 CB SER A 28 61.864 8.419 2.700 1.00 0.00 C ATOM 408 OG SER A 28 60.534 8.400 3.201 1.00 0.00 O ATOM 0 H SER A 28 64.096 7.756 1.731 1.00 0.00 H new ATOM 0 HA SER A 28 62.457 6.765 3.945 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.451 9.175 3.222 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.863 8.688 1.644 1.00 0.00 H new ATOM 0 HG SER A 28 60.127 9.283 3.082 1.00 0.00 H new ATOM 414 N GLN A 29 61.605 4.802 2.633 1.00 0.00 N ATOM 415 CA GLN A 29 60.892 3.687 2.004 1.00 0.00 C ATOM 416 C GLN A 29 60.994 2.453 2.927 1.00 0.00 C ATOM 417 O GLN A 29 62.007 1.754 2.903 1.00 0.00 O ATOM 418 CB GLN A 29 61.523 3.354 0.636 1.00 0.00 C ATOM 419 CG GLN A 29 60.519 2.596 -0.237 1.00 0.00 C ATOM 420 CD GLN A 29 61.111 2.362 -1.621 1.00 0.00 C ATOM 421 OE1 GLN A 29 62.315 2.532 -1.819 1.00 0.00 O ATOM 422 NE2 GLN A 29 60.334 1.980 -2.597 1.00 0.00 N ATOM 0 H GLN A 29 62.011 4.567 3.539 1.00 0.00 H new ATOM 0 HA GLN A 29 59.848 3.963 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.831 4.272 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.420 2.752 0.778 1.00 0.00 H new ATOM 0 HG2 GLN A 29 60.267 1.642 0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 29 59.593 3.165 -0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 29 59.337 1.840 -2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 29 60.723 1.821 -3.526 1.00 0.00 H new ATOM 431 N PRO A 30 60.000 2.177 3.749 1.00 0.00 N ATOM 432 CA PRO A 30 60.052 1.013 4.686 1.00 0.00 C ATOM 433 C PRO A 30 60.154 -0.349 3.985 1.00 0.00 C ATOM 434 O PRO A 30 60.596 -1.320 4.595 1.00 0.00 O ATOM 435 CB PRO A 30 58.772 1.124 5.551 1.00 0.00 C ATOM 436 CG PRO A 30 58.033 2.364 5.103 1.00 0.00 C ATOM 437 CD PRO A 30 58.749 2.940 3.870 1.00 0.00 C ATOM 0 HA PRO A 30 60.961 1.055 5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 30 58.147 0.239 5.428 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.027 1.190 6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 30 56.998 2.122 4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.009 3.101 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.136 2.833 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.949 4.004 3.994 1.00 0.00 H new ATOM 445 N GLU A 31 59.774 -0.428 2.713 1.00 0.00 N ATOM 446 CA GLU A 31 59.870 -1.695 1.986 1.00 0.00 C ATOM 447 C GLU A 31 60.187 -1.432 0.527 1.00 0.00 C ATOM 448 O GLU A 31 59.604 -0.544 -0.093 1.00 0.00 O ATOM 449 CB GLU A 31 58.564 -2.485 2.111 1.00 0.00 C ATOM 450 CG GLU A 31 57.419 -1.725 1.439 1.00 0.00 C ATOM 451 CD GLU A 31 56.101 -2.450 1.693 1.00 0.00 C ATOM 452 OE1 GLU A 31 55.894 -2.884 2.814 1.00 0.00 O ATOM 453 OE2 GLU A 31 55.321 -2.563 0.765 1.00 0.00 O1- ATOM 0 H GLU A 31 59.403 0.352 2.171 1.00 0.00 H new ATOM 0 HA GLU A 31 60.674 -2.288 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.679 -3.466 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.331 -2.652 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 31 57.367 -0.708 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.601 -1.647 0.367 1.00 0.00 H new ATOM 460 N VAL A 32 61.132 -2.198 -0.019 1.00 0.00 N ATOM 461 CA VAL A 32 61.539 -2.019 -1.410 1.00 0.00 C ATOM 462 C VAL A 32 61.468 -3.332 -2.188 1.00 0.00 C ATOM 463 O VAL A 32 62.098 -4.326 -1.829 1.00 0.00 O ATOM 464 CB VAL A 32 62.952 -1.443 -1.437 1.00 0.00 C ATOM 465 CG1 VAL A 32 63.062 -0.348 -0.370 1.00 0.00 C ATOM 466 CG2 VAL A 32 63.986 -2.540 -1.147 1.00 0.00 C ATOM 0 H VAL A 32 61.625 -2.941 0.476 1.00 0.00 H new ATOM 0 HA VAL A 32 60.852 -1.327 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 32 63.150 -1.029 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 32 64.068 0.071 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 32 62.339 0.440 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 32 62.857 -0.775 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 32 64.988 -2.111 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 32 63.797 -2.967 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 32 63.908 -3.322 -1.902 1.00 0.00 H new ATOM 476 N ALA A 33 60.665 -3.312 -3.243 1.00 0.00 N ATOM 477 CA ALA A 33 60.449 -4.482 -4.085 1.00 0.00 C ATOM 478 C ALA A 33 61.557 -4.672 -5.122 1.00 0.00 C ATOM 479 O ALA A 33 61.507 -5.617 -5.909 1.00 0.00 O ATOM 480 CB ALA A 33 59.114 -4.331 -4.810 1.00 0.00 C ATOM 0 H ALA A 33 60.145 -2.486 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 33 60.451 -5.358 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 33 58.943 -5.202 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.310 -4.251 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 33 59.135 -3.433 -5.427 1.00 0.00 H new ATOM 486 N ALA A 34 62.554 -3.792 -5.133 1.00 0.00 N ATOM 487 CA ALA A 34 63.640 -3.924 -6.100 1.00 0.00 C ATOM 488 C ALA A 34 64.818 -3.032 -5.727 1.00 0.00 C ATOM 489 O ALA A 34 64.740 -1.808 -5.836 1.00 0.00 O ATOM 490 CB ALA A 34 63.146 -3.549 -7.497 1.00 0.00 C ATOM 0 H ALA A 34 62.634 -2.997 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 34 63.971 -4.962 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 34 63.963 -3.651 -8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.329 -4.211 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 34 62.793 -2.518 -7.494 1.00 0.00 H new ATOM 496 N HIS A 35 65.918 -3.649 -5.299 1.00 0.00 N ATOM 497 CA HIS A 35 67.121 -2.900 -4.923 1.00 0.00 C ATOM 498 C HIS A 35 68.363 -3.530 -5.542 1.00 0.00 C ATOM 499 O HIS A 35 68.555 -4.745 -5.489 1.00 0.00 O ATOM 500 CB HIS A 35 67.262 -2.864 -3.382 1.00 0.00 C ATOM 501 CG HIS A 35 66.672 -1.590 -2.834 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.610 -0.945 -3.442 1.00 0.00 N ATOM 503 CD2 HIS A 35 67.007 -0.821 -1.749 1.00 0.00 C ATOM 504 CE1 HIS A 35 65.346 0.161 -2.727 1.00 0.00 C ATOM 505 NE2 HIS A 35 66.169 0.285 -1.683 1.00 0.00 N ATOM 0 H HIS A 35 66.004 -4.661 -5.203 1.00 0.00 H new ATOM 0 HA HIS A 35 67.024 -1.882 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 35 66.757 -3.725 -2.943 1.00 0.00 H new ATOM 0 HB3 HIS A 35 68.314 -2.935 -3.104 1.00 0.00 H new ATOM 0 HD1 HIS A 35 65.117 -1.253 -4.280 1.00 0.00 H new ATOM 0 HD2 HIS A 35 67.802 -1.042 -1.052 1.00 0.00 H new ATOM 0 HE1 HIS A 35 64.563 0.865 -2.967 1.00 0.00 H new ATOM 513 N THR A 36 69.213 -2.678 -6.112 1.00 0.00 N ATOM 514 CA THR A 36 70.459 -3.122 -6.729 1.00 0.00 C ATOM 515 C THR A 36 71.619 -2.296 -6.185 1.00 0.00 C ATOM 516 O THR A 36 71.652 -1.077 -6.350 1.00 0.00 O ATOM 517 CB THR A 36 70.370 -2.948 -8.244 1.00 0.00 C ATOM 518 OG1 THR A 36 69.302 -3.738 -8.749 1.00 0.00 O ATOM 519 CG2 THR A 36 71.684 -3.387 -8.890 1.00 0.00 C ATOM 0 H THR A 36 69.059 -1.671 -6.159 1.00 0.00 H new ATOM 0 HA THR A 36 70.624 -4.174 -6.496 1.00 0.00 H new ATOM 0 HB THR A 36 70.188 -1.899 -8.478 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.243 -3.626 -9.721 1.00 0.00 H new ATOM 0 HG21 THR A 36 71.618 -3.262 -9.971 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.501 -2.778 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 36 71.872 -4.435 -8.657 1.00 0.00 H new ATOM 527 N TRP A 37 72.564 -2.967 -5.527 1.00 0.00 N ATOM 528 CA TRP A 37 73.729 -2.289 -4.944 1.00 0.00 C ATOM 529 C TRP A 37 75.024 -2.889 -5.485 1.00 0.00 C ATOM 530 O TRP A 37 75.369 -4.023 -5.166 1.00 0.00 O ATOM 531 CB TRP A 37 73.684 -2.449 -3.417 1.00 0.00 C ATOM 532 CG TRP A 37 74.553 -1.430 -2.725 1.00 0.00 C ATOM 533 CD1 TRP A 37 75.710 -0.895 -3.202 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.346 -0.829 -1.413 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.214 -0.011 -2.268 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.410 0.065 -1.151 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.345 -0.970 -0.439 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.480 0.789 0.037 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.410 -0.242 0.758 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.476 0.636 0.998 1.00 0.00 C ATOM 0 H TRP A 37 72.549 -3.977 -5.383 1.00 0.00 H new ATOM 0 HA TRP A 37 73.701 -1.233 -5.211 1.00 0.00 H new ATOM 0 HB2 TRP A 37 72.656 -2.346 -3.070 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.013 -3.452 -3.146 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.161 -1.124 -4.156 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.076 0.521 -2.390 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.519 -1.644 -0.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.304 1.464 0.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 72.634 -0.359 1.500 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.522 1.193 1.922 1.00 0.00 H new ATOM 551 N LEU A 38 75.747 -2.101 -6.288 1.00 0.00 N ATOM 552 CA LEU A 38 77.026 -2.548 -6.858 1.00 0.00 C ATOM 553 C LEU A 38 78.121 -1.491 -6.679 1.00 0.00 C ATOM 554 O LEU A 38 78.044 -0.392 -7.233 1.00 0.00 O ATOM 555 CB LEU A 38 76.882 -2.857 -8.355 1.00 0.00 C ATOM 556 CG LEU A 38 75.927 -4.041 -8.583 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.801 -4.284 -10.094 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.475 -5.316 -7.907 1.00 0.00 C ATOM 0 H LEU A 38 75.472 -1.156 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 38 77.311 -3.453 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.507 -1.977 -8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.860 -3.087 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 38 74.954 -3.808 -8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.126 -5.121 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.405 -3.390 -10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.783 -4.514 -10.509 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.787 -6.143 -8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.450 -5.561 -8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.576 -5.145 -6.835 1.00 0.00 H new ATOM 570 N LEU A 39 79.146 -1.847 -5.905 1.00 0.00 N ATOM 571 CA LEU A 39 80.274 -0.962 -5.649 1.00 0.00 C ATOM 572 C LEU A 39 81.356 -1.435 -6.589 1.00 0.00 C ATOM 573 O LEU A 39 81.168 -1.386 -7.807 1.00 0.00 O ATOM 574 CB LEU A 39 80.700 -1.058 -4.158 1.00 0.00 C ATOM 575 CG LEU A 39 80.234 -2.384 -3.541 1.00 0.00 C ATOM 576 CD1 LEU A 39 80.974 -3.560 -4.183 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.518 -2.375 -2.037 1.00 0.00 C ATOM 0 H LEU A 39 79.215 -2.753 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 39 80.042 0.089 -5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 39 81.784 -0.976 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.276 -0.223 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 39 79.164 -2.496 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.633 -4.493 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 39 80.771 -3.576 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.046 -3.449 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.187 -3.317 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.588 -2.253 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 39 79.981 -1.549 -1.570 1.00 0.00 H new ATOM 589 N ASP A 40 82.447 -1.991 -6.075 1.00 0.00 N ATOM 590 CA ASP A 40 83.426 -2.550 -6.967 1.00 0.00 C ATOM 591 C ASP A 40 82.641 -3.554 -7.813 1.00 0.00 C ATOM 592 O ASP A 40 81.500 -3.868 -7.478 1.00 0.00 O ATOM 593 CB ASP A 40 84.556 -3.250 -6.191 1.00 0.00 C ATOM 594 CG ASP A 40 85.244 -2.264 -5.254 1.00 0.00 C ATOM 595 OD1 ASP A 40 84.916 -1.093 -5.310 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 86.082 -2.703 -4.482 1.00 0.00 O ATOM 0 H ASP A 40 82.662 -2.061 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 40 83.913 -1.785 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 40 84.151 -4.084 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.282 -3.666 -6.889 1.00 0.00 H new ATOM 601 N ASP A 41 83.179 -3.996 -8.910 1.00 0.00 N ATOM 602 CA ASP A 41 82.426 -4.897 -9.775 1.00 0.00 C ATOM 603 C ASP A 41 82.144 -6.246 -9.107 1.00 0.00 C ATOM 604 O ASP A 41 82.142 -7.280 -9.777 1.00 0.00 O ATOM 605 CB ASP A 41 83.192 -5.136 -11.076 1.00 0.00 C ATOM 606 CG ASP A 41 82.332 -5.942 -12.045 1.00 0.00 C ATOM 607 OD1 ASP A 41 81.232 -5.498 -12.340 1.00 0.00 O ATOM 608 OD2 ASP A 41 82.784 -6.989 -12.480 1.00 0.00 O1- ATOM 0 H ASP A 41 84.117 -3.762 -9.236 1.00 0.00 H new ATOM 0 HA ASP A 41 81.470 -4.416 -9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.467 -4.182 -11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 41 84.120 -5.670 -10.869 1.00 0.00 H new ATOM 613 N GLU A 42 81.871 -6.239 -7.792 1.00 0.00 N ATOM 614 CA GLU A 42 81.555 -7.482 -7.069 1.00 0.00 C ATOM 615 C GLU A 42 80.242 -7.318 -6.295 1.00 0.00 C ATOM 616 O GLU A 42 80.020 -6.271 -5.685 1.00 0.00 O ATOM 617 CB GLU A 42 82.664 -7.806 -6.061 1.00 0.00 C ATOM 618 CG GLU A 42 82.729 -6.710 -4.993 1.00 0.00 C ATOM 619 CD GLU A 42 84.082 -6.741 -4.285 1.00 0.00 C ATOM 620 OE1 GLU A 42 84.695 -7.797 -4.271 1.00 0.00 O ATOM 621 OE2 GLU A 42 84.486 -5.710 -3.771 1.00 0.00 O1- ATOM 0 H GLU A 42 81.862 -5.399 -7.214 1.00 0.00 H new ATOM 0 HA GLU A 42 81.466 -8.287 -7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 42 82.472 -8.772 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 42 83.623 -7.885 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 42 82.574 -5.734 -5.453 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.928 -6.851 -4.268 1.00 0.00 H new ATOM 628 N PRO A 43 79.378 -8.312 -6.267 1.00 0.00 N ATOM 629 CA PRO A 43 78.116 -8.189 -5.497 1.00 0.00 C ATOM 630 C PRO A 43 78.455 -7.808 -4.063 1.00 0.00 C ATOM 631 O PRO A 43 79.373 -8.377 -3.470 1.00 0.00 O ATOM 632 CB PRO A 43 77.443 -9.580 -5.580 1.00 0.00 C ATOM 633 CG PRO A 43 78.326 -10.453 -6.445 1.00 0.00 C ATOM 634 CD PRO A 43 79.506 -9.605 -6.951 1.00 0.00 C ATOM 0 HA PRO A 43 77.446 -7.422 -5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.330 -10.013 -4.586 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.444 -9.499 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.691 -11.307 -5.874 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.758 -10.851 -7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.459 -10.080 -6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.466 -9.483 -8.033 1.00 0.00 H new ATOM 642 N VAL A 44 77.757 -6.818 -3.512 1.00 0.00 N ATOM 643 CA VAL A 44 78.075 -6.371 -2.158 1.00 0.00 C ATOM 644 C VAL A 44 77.318 -7.153 -1.092 1.00 0.00 C ATOM 645 O VAL A 44 76.306 -6.717 -0.548 1.00 0.00 O ATOM 646 CB VAL A 44 77.810 -4.872 -2.030 1.00 0.00 C ATOM 647 CG1 VAL A 44 76.345 -4.543 -2.330 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.180 -4.404 -0.617 1.00 0.00 C ATOM 0 H VAL A 44 76.990 -6.322 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 44 79.134 -6.564 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 44 78.427 -4.347 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 44 76.186 -3.469 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.103 -4.854 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 44 75.702 -5.071 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.991 -3.334 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 44 77.577 -4.942 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 44 79.236 -4.602 -0.433 1.00 0.00 H new ATOM 658 N ARG A 45 77.893 -8.299 -0.769 1.00 0.00 N ATOM 659 CA ARG A 45 77.395 -9.185 0.272 1.00 0.00 C ATOM 660 C ARG A 45 78.631 -9.800 0.906 1.00 0.00 C ATOM 661 O ARG A 45 79.198 -9.245 1.829 1.00 0.00 O ATOM 662 CB ARG A 45 76.479 -10.282 -0.304 1.00 0.00 C ATOM 663 CG ARG A 45 75.128 -9.696 -0.758 1.00 0.00 C ATOM 664 CD ARG A 45 74.187 -9.494 0.442 1.00 0.00 C ATOM 665 NE ARG A 45 73.936 -10.765 1.112 1.00 0.00 N ATOM 666 CZ ARG A 45 73.071 -11.645 0.617 1.00 0.00 C ATOM 667 NH1 ARG A 45 71.946 -11.234 0.094 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 73.349 -12.921 0.656 1.00 0.00 N ATOM 0 H ARG A 45 78.734 -8.647 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 45 76.790 -8.638 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 45 76.971 -10.765 -1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 45 76.310 -11.052 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 45 75.291 -8.743 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 45 74.662 -10.364 -1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.629 -8.787 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 45 73.245 -9.061 0.105 1.00 0.00 H new ATOM 0 HE ARG A 45 74.433 -10.983 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 45 71.731 -10.237 0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 45 71.283 -11.910 -0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 45 74.227 -13.239 1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 45 72.688 -13.599 0.277 1.00 0.00 H new ATOM 682 N THR A 46 79.060 -10.919 0.347 1.00 0.00 N ATOM 683 CA THR A 46 80.272 -11.609 0.796 1.00 0.00 C ATOM 684 C THR A 46 80.181 -12.065 2.266 1.00 0.00 C ATOM 685 O THR A 46 79.229 -12.751 2.641 1.00 0.00 O ATOM 686 CB THR A 46 81.504 -10.700 0.562 1.00 0.00 C ATOM 687 OG1 THR A 46 81.747 -9.914 1.716 1.00 0.00 O ATOM 688 CG2 THR A 46 81.258 -9.767 -0.633 1.00 0.00 C ATOM 0 H THR A 46 78.584 -11.379 -0.429 1.00 0.00 H new ATOM 0 HA THR A 46 80.380 -12.518 0.204 1.00 0.00 H new ATOM 0 HB THR A 46 82.367 -11.333 0.356 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.923 -9.451 1.976 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.132 -9.134 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.080 -10.362 -1.529 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.388 -9.142 -0.433 1.00 0.00 H new ATOM 696 N SER A 47 81.193 -11.730 3.089 1.00 0.00 N ATOM 697 CA SER A 47 81.224 -12.171 4.500 1.00 0.00 C ATOM 698 C SER A 47 81.635 -11.048 5.467 1.00 0.00 C ATOM 699 O SER A 47 81.344 -9.884 5.248 1.00 0.00 O ATOM 700 CB SER A 47 82.225 -13.323 4.613 1.00 0.00 C ATOM 701 OG SER A 47 83.490 -12.818 5.019 1.00 0.00 O ATOM 0 H SER A 47 81.992 -11.162 2.807 1.00 0.00 H new ATOM 0 HA SER A 47 80.217 -12.479 4.781 1.00 0.00 H new ATOM 0 HB2 SER A 47 81.868 -14.059 5.333 1.00 0.00 H new ATOM 0 HB3 SER A 47 82.317 -13.834 3.654 1.00 0.00 H new ATOM 0 HG SER A 47 84.129 -13.557 5.092 1.00 0.00 H new ATOM 707 N GLU A 48 82.308 -11.405 6.557 1.00 0.00 N ATOM 708 CA GLU A 48 82.728 -10.397 7.531 1.00 0.00 C ATOM 709 C GLU A 48 83.538 -9.303 6.834 1.00 0.00 C ATOM 710 O GLU A 48 83.376 -8.118 7.127 1.00 0.00 O ATOM 711 CB GLU A 48 83.579 -11.038 8.640 1.00 0.00 C ATOM 712 CG GLU A 48 82.701 -11.866 9.596 1.00 0.00 C ATOM 713 CD GLU A 48 82.419 -13.247 9.009 1.00 0.00 C ATOM 714 OE1 GLU A 48 82.813 -13.484 7.881 1.00 0.00 O ATOM 715 OE2 GLU A 48 81.814 -14.048 9.703 1.00 0.00 O1- ATOM 0 H GLU A 48 82.571 -12.363 6.787 1.00 0.00 H new ATOM 0 HA GLU A 48 81.836 -9.960 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 48 84.342 -11.677 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.100 -10.261 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 48 83.201 -11.970 10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 48 81.762 -11.344 9.779 1.00 0.00 H new ATOM 722 N ASN A 49 84.413 -9.712 5.925 1.00 0.00 N ATOM 723 CA ASN A 49 85.255 -8.766 5.197 1.00 0.00 C ATOM 724 C ASN A 49 84.417 -7.863 4.292 1.00 0.00 C ATOM 725 O ASN A 49 84.956 -7.077 3.513 1.00 0.00 O ATOM 726 CB ASN A 49 86.274 -9.533 4.351 1.00 0.00 C ATOM 727 CG ASN A 49 87.269 -10.251 5.258 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.899 -11.221 4.839 1.00 0.00 O ATOM 729 ND2 ASN A 49 87.449 -9.834 6.482 1.00 0.00 N ATOM 0 H ASN A 49 84.560 -10.689 5.673 1.00 0.00 H new ATOM 0 HA ASN A 49 85.771 -8.139 5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 49 85.762 -10.255 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 49 86.802 -8.845 3.690 1.00 0.00 H new ATOM 0 HD21 ASN A 49 88.112 -10.313 7.091 1.00 0.00 H new ATOM 0 HD22 ASN A 49 86.926 -9.030 6.829 1.00 0.00 H new ATOM 736 N ALA A 50 83.100 -7.980 4.404 1.00 0.00 N ATOM 737 CA ALA A 50 82.193 -7.171 3.597 1.00 0.00 C ATOM 738 C ALA A 50 80.776 -7.712 3.745 1.00 0.00 C ATOM 739 O ALA A 50 80.553 -8.889 3.519 1.00 0.00 O ATOM 740 CB ALA A 50 82.643 -7.213 2.125 1.00 0.00 C ATOM 0 H ALA A 50 82.636 -8.625 5.044 1.00 0.00 H new ATOM 0 HA ALA A 50 82.211 -6.135 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 50 81.966 -6.609 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 50 83.655 -6.817 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 82.626 -8.243 1.769 1.00 0.00 H new ATOM 746 N GLU A 51 79.822 -6.845 4.078 1.00 0.00 N ATOM 747 CA GLU A 51 78.418 -7.270 4.214 1.00 0.00 C ATOM 748 C GLU A 51 77.547 -6.090 4.623 1.00 0.00 C ATOM 749 O GLU A 51 77.993 -5.218 5.370 1.00 0.00 O ATOM 750 CB GLU A 51 78.273 -8.386 5.267 1.00 0.00 C ATOM 751 CG GLU A 51 76.800 -8.803 5.394 1.00 0.00 C ATOM 752 CD GLU A 51 76.669 -9.969 6.369 1.00 0.00 C ATOM 753 OE1 GLU A 51 77.604 -10.197 7.117 1.00 0.00 O1- ATOM 754 OE2 GLU A 51 75.630 -10.610 6.361 1.00 0.00 O ATOM 0 H GLU A 51 79.985 -5.854 4.258 1.00 0.00 H new ATOM 0 HA GLU A 51 78.095 -7.652 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.879 -9.246 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.645 -8.038 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.204 -7.959 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.409 -9.089 4.418 1.00 0.00 H new ATOM 761 N VAL A 52 76.303 -6.054 4.132 1.00 0.00 N ATOM 762 CA VAL A 52 75.382 -4.970 4.457 1.00 0.00 C ATOM 763 C VAL A 52 74.420 -5.418 5.555 1.00 0.00 C ATOM 764 O VAL A 52 74.224 -6.615 5.762 1.00 0.00 O ATOM 765 CB VAL A 52 74.581 -4.606 3.199 1.00 0.00 C ATOM 766 CG1 VAL A 52 73.993 -3.199 3.337 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.510 -4.666 1.985 1.00 0.00 C ATOM 0 H VAL A 52 75.916 -6.763 3.510 1.00 0.00 H new ATOM 0 HA VAL A 52 75.945 -4.105 4.807 1.00 0.00 H new ATOM 0 HB VAL A 52 73.761 -5.313 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.427 -2.952 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.332 -3.164 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.800 -2.478 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.950 -4.409 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.328 -3.958 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 52 75.914 -5.673 1.885 1.00 0.00 H new ATOM 777 N VAL A 53 73.819 -4.462 6.255 1.00 0.00 N ATOM 778 CA VAL A 53 72.875 -4.784 7.326 1.00 0.00 C ATOM 779 C VAL A 53 71.730 -3.771 7.353 1.00 0.00 C ATOM 780 O VAL A 53 71.912 -2.606 6.992 1.00 0.00 O ATOM 781 CB VAL A 53 73.617 -4.780 8.660 1.00 0.00 C ATOM 782 CG1 VAL A 53 74.626 -5.926 8.684 1.00 0.00 C ATOM 783 CG2 VAL A 53 74.371 -3.462 8.807 1.00 0.00 C ATOM 0 H VAL A 53 73.965 -3.464 6.104 1.00 0.00 H new ATOM 0 HA VAL A 53 72.449 -5.771 7.148 1.00 0.00 H new ATOM 0 HB VAL A 53 72.902 -4.899 9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.156 -5.924 9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.103 -6.874 8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.340 -5.799 7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 53 74.904 -3.452 9.758 1.00 0.00 H new ATOM 0 HG22 VAL A 53 75.085 -3.358 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 53 73.664 -2.633 8.778 1.00 0.00 H new ATOM 793 N PHE A 54 70.543 -4.226 7.762 1.00 0.00 N ATOM 794 CA PHE A 54 69.360 -3.357 7.813 1.00 0.00 C ATOM 795 C PHE A 54 69.118 -2.830 9.230 1.00 0.00 C ATOM 796 O PHE A 54 69.224 -3.564 10.212 1.00 0.00 O ATOM 797 CB PHE A 54 68.114 -4.143 7.338 1.00 0.00 C ATOM 798 CG PHE A 54 67.925 -4.016 5.835 1.00 0.00 C ATOM 799 CD1 PHE A 54 68.931 -4.436 4.957 1.00 0.00 C ATOM 800 CD2 PHE A 54 66.729 -3.480 5.323 1.00 0.00 C ATOM 801 CE1 PHE A 54 68.746 -4.321 3.572 1.00 0.00 C ATOM 802 CE2 PHE A 54 66.547 -3.366 3.941 1.00 0.00 C ATOM 803 CZ PHE A 54 67.556 -3.786 3.066 1.00 0.00 C ATOM 0 H PHE A 54 70.374 -5.186 8.062 1.00 0.00 H new ATOM 0 HA PHE A 54 69.538 -2.506 7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.219 -5.194 7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 54 67.228 -3.770 7.852 1.00 0.00 H new ATOM 0 HD1 PHE A 54 69.850 -4.849 5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 54 65.951 -3.156 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 54 69.522 -4.646 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 54 65.629 -2.954 3.549 1.00 0.00 H new ATOM 0 HZ PHE A 54 67.416 -3.697 1.999 1.00 0.00 H new ATOM 813 N PHE A 55 68.744 -1.552 9.310 1.00 0.00 N ATOM 814 CA PHE A 55 68.426 -0.903 10.587 1.00 0.00 C ATOM 815 C PHE A 55 67.058 -0.253 10.457 1.00 0.00 C ATOM 816 O PHE A 55 66.688 0.217 9.381 1.00 0.00 O ATOM 817 CB PHE A 55 69.457 0.190 10.942 1.00 0.00 C ATOM 818 CG PHE A 55 70.665 -0.395 11.640 1.00 0.00 C ATOM 819 CD1 PHE A 55 71.481 -1.309 10.972 1.00 0.00 C ATOM 820 CD2 PHE A 55 70.980 -0.003 12.951 1.00 0.00 C ATOM 821 CE1 PHE A 55 72.611 -1.831 11.606 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.108 -0.529 13.584 1.00 0.00 C ATOM 823 CZ PHE A 55 72.925 -1.441 12.910 1.00 0.00 C ATOM 0 H PHE A 55 68.653 -0.940 8.499 1.00 0.00 H new ATOM 0 HA PHE A 55 68.443 -1.656 11.375 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.773 0.703 10.034 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.991 0.937 11.584 1.00 0.00 H new ATOM 0 HD1 PHE A 55 71.239 -1.613 9.964 1.00 0.00 H new ATOM 0 HD2 PHE A 55 70.350 0.705 13.469 1.00 0.00 H new ATOM 0 HE1 PHE A 55 73.243 -2.537 11.087 1.00 0.00 H new ATOM 0 HE2 PHE A 55 72.349 -0.231 14.594 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.800 -1.845 13.398 1.00 0.00 H new ATOM 833 N GLU A 56 66.317 -0.219 11.552 1.00 0.00 N ATOM 834 CA GLU A 56 64.993 0.389 11.549 1.00 0.00 C ATOM 835 C GLU A 56 64.236 0.016 10.265 1.00 0.00 C ATOM 836 O GLU A 56 63.524 0.833 9.691 1.00 0.00 O ATOM 837 CB GLU A 56 65.135 1.908 11.669 1.00 0.00 C ATOM 838 CG GLU A 56 63.804 2.542 12.090 1.00 0.00 C ATOM 839 CD GLU A 56 64.006 4.028 12.368 1.00 0.00 C ATOM 840 OE1 GLU A 56 65.148 4.433 12.500 1.00 0.00 O ATOM 841 OE2 GLU A 56 63.018 4.737 12.450 1.00 0.00 O1- ATOM 0 H GLU A 56 66.606 -0.603 12.452 1.00 0.00 H new ATOM 0 HA GLU A 56 64.421 0.015 12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.907 2.150 12.400 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.457 2.325 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 56 63.061 2.407 11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.419 2.045 12.980 1.00 0.00 H new ATOM 848 N ASN A 57 64.385 -1.242 9.851 1.00 0.00 N ATOM 849 CA ASN A 57 63.697 -1.767 8.663 1.00 0.00 C ATOM 850 C ASN A 57 64.223 -1.203 7.335 1.00 0.00 C ATOM 851 O ASN A 57 63.435 -0.921 6.430 1.00 0.00 O ATOM 852 CB ASN A 57 62.196 -1.480 8.769 1.00 0.00 C ATOM 853 CG ASN A 57 61.419 -2.372 7.806 1.00 0.00 C ATOM 854 OD1 ASN A 57 60.485 -1.912 7.147 1.00 0.00 O ATOM 855 ND2 ASN A 57 61.752 -3.627 7.681 1.00 0.00 N ATOM 0 H ASN A 57 64.980 -1.924 10.322 1.00 0.00 H new ATOM 0 HA ASN A 57 63.896 -2.839 8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.857 -1.653 9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 57 62.002 -0.432 8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 57 61.239 -4.229 7.037 1.00 0.00 H new ATOM 0 HD22 ASN A 57 62.525 -4.006 8.227 1.00 0.00 H new ATOM 862 N GLY A 58 65.543 -1.074 7.193 1.00 0.00 N ATOM 863 CA GLY A 58 66.119 -0.583 5.935 1.00 0.00 C ATOM 864 C GLY A 58 66.103 0.936 5.851 1.00 0.00 C ATOM 865 O GLY A 58 66.561 1.513 4.867 1.00 0.00 O ATOM 0 H GLY A 58 66.225 -1.297 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 58 67.145 -0.940 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.561 -0.998 5.095 1.00 0.00 H new ATOM 869 N LEU A 59 65.585 1.578 6.880 1.00 0.00 N ATOM 870 CA LEU A 59 65.532 3.029 6.895 1.00 0.00 C ATOM 871 C LEU A 59 66.957 3.591 6.953 1.00 0.00 C ATOM 872 O LEU A 59 67.200 4.750 6.617 1.00 0.00 O ATOM 873 CB LEU A 59 64.704 3.498 8.102 1.00 0.00 C ATOM 874 CG LEU A 59 63.871 4.738 7.745 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.958 5.084 8.919 1.00 0.00 C ATOM 876 CD2 LEU A 59 64.794 5.925 7.440 1.00 0.00 C ATOM 0 H LEU A 59 65.199 1.125 7.708 1.00 0.00 H new ATOM 0 HA LEU A 59 65.054 3.395 5.986 1.00 0.00 H new ATOM 0 HB2 LEU A 59 64.045 2.694 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.367 3.728 8.936 1.00 0.00 H new ATOM 0 HG LEU A 59 63.270 4.526 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.364 5.964 8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.294 4.244 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 59 63.563 5.292 9.802 1.00 0.00 H new ATOM 0 HD21 LEU A 59 64.192 6.798 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 59 65.405 6.145 8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 59 65.441 5.676 6.599 1.00 0.00 H new ATOM 888 N ARG A 60 67.896 2.743 7.367 1.00 0.00 N ATOM 889 CA ARG A 60 69.308 3.135 7.455 1.00 0.00 C ATOM 890 C ARG A 60 70.217 1.956 7.116 1.00 0.00 C ATOM 891 O ARG A 60 70.548 1.152 7.981 1.00 0.00 O ATOM 892 CB ARG A 60 69.636 3.624 8.867 1.00 0.00 C ATOM 893 CG ARG A 60 68.922 4.944 9.139 1.00 0.00 C ATOM 894 CD ARG A 60 69.270 5.416 10.549 1.00 0.00 C ATOM 895 NE ARG A 60 68.588 6.673 10.839 1.00 0.00 N ATOM 896 CZ ARG A 60 69.146 7.842 10.542 1.00 0.00 C ATOM 897 NH1 ARG A 60 70.442 7.990 10.634 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 68.400 8.841 10.154 1.00 0.00 N ATOM 0 H ARG A 60 67.709 1.780 7.647 1.00 0.00 H new ATOM 0 HA ARG A 60 69.478 3.939 6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.330 2.877 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.713 3.754 8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 60 69.223 5.693 8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.844 4.816 9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 60 68.979 4.659 11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 60 70.348 5.548 10.641 1.00 0.00 H new ATOM 0 HE ARG A 60 67.667 6.654 11.277 1.00 0.00 H new ATOM 0 HH11 ARG A 60 71.025 7.208 10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 60 70.870 8.887 10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 60 67.390 8.724 10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 60 68.828 9.738 9.926 1.00 0.00 H new ATOM 912 N HIS A 61 70.615 1.844 5.856 1.00 0.00 N ATOM 913 CA HIS A 61 71.481 0.734 5.453 1.00 0.00 C ATOM 914 C HIS A 61 72.941 1.048 5.754 1.00 0.00 C ATOM 915 O HIS A 61 73.419 2.144 5.461 1.00 0.00 O ATOM 916 CB HIS A 61 71.334 0.461 3.961 1.00 0.00 C ATOM 917 CG HIS A 61 69.905 0.135 3.641 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.058 1.047 3.034 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.162 -1.002 3.828 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.866 0.447 2.878 1.00 0.00 C ATOM 921 NE2 HIS A 61 67.874 -0.802 3.345 1.00 0.00 N ATOM 0 H HIS A 61 70.362 2.489 5.108 1.00 0.00 H new ATOM 0 HA HIS A 61 71.178 -0.146 6.020 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.654 1.332 3.390 1.00 0.00 H new ATOM 0 HB3 HIS A 61 71.980 -0.367 3.668 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.522 -1.914 4.281 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.005 0.919 2.429 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.101 -1.468 3.347 1.00 0.00 H new ATOM 929 N LEU A 62 73.655 0.077 6.335 1.00 0.00 N ATOM 930 CA LEU A 62 75.074 0.261 6.659 1.00 0.00 C ATOM 931 C LEU A 62 75.916 -0.705 5.817 1.00 0.00 C ATOM 932 O LEU A 62 75.615 -1.896 5.743 1.00 0.00 O ATOM 933 CB LEU A 62 75.346 -0.033 8.150 1.00 0.00 C ATOM 934 CG LEU A 62 74.252 0.556 9.049 1.00 0.00 C ATOM 935 CD1 LEU A 62 74.609 0.278 10.511 1.00 0.00 C ATOM 936 CD2 LEU A 62 74.144 2.064 8.854 1.00 0.00 C ATOM 0 H LEU A 62 73.278 -0.836 6.588 1.00 0.00 H new ATOM 0 HA LEU A 62 75.339 1.296 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 62 75.404 -1.110 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 62 76.313 0.382 8.433 1.00 0.00 H new ATOM 0 HG LEU A 62 73.300 0.095 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 62 73.837 0.693 11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 62 74.677 -0.798 10.671 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.567 0.741 10.746 1.00 0.00 H new ATOM 0 HD21 LEU A 62 73.362 2.460 9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.095 2.533 9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 62 73.898 2.280 7.814 1.00 0.00 H new ATOM 948 N LEU A 63 76.976 -0.190 5.195 1.00 0.00 N ATOM 949 CA LEU A 63 77.874 -1.014 4.370 1.00 0.00 C ATOM 950 C LEU A 63 79.267 -1.001 4.981 1.00 0.00 C ATOM 951 O LEU A 63 79.965 0.009 4.918 1.00 0.00 O ATOM 952 CB LEU A 63 77.897 -0.445 2.940 1.00 0.00 C ATOM 953 CG LEU A 63 79.121 -0.939 2.139 1.00 0.00 C ATOM 954 CD1 LEU A 63 79.120 -2.466 2.067 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.052 -0.364 0.717 1.00 0.00 C ATOM 0 H LEU A 63 77.238 0.794 5.244 1.00 0.00 H new ATOM 0 HA LEU A 63 77.522 -2.045 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.983 -0.734 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 63 77.908 0.644 2.984 1.00 0.00 H new ATOM 0 HG LEU A 63 80.034 -0.608 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.987 -2.804 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.163 -2.878 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.209 -2.806 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.913 -0.708 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.135 -0.701 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.059 0.725 0.764 1.00 0.00 H new ATOM 967 N LEU A 64 79.660 -2.106 5.614 1.00 0.00 N ATOM 968 CA LEU A 64 80.959 -2.178 6.279 1.00 0.00 C ATOM 969 C LEU A 64 82.026 -2.883 5.445 1.00 0.00 C ATOM 970 O LEU A 64 81.828 -3.990 4.935 1.00 0.00 O ATOM 971 CB LEU A 64 80.770 -2.919 7.616 1.00 0.00 C ATOM 972 CG LEU A 64 80.283 -1.934 8.703 1.00 0.00 C ATOM 973 CD1 LEU A 64 79.401 -2.658 9.727 1.00 0.00 C ATOM 974 CD2 LEU A 64 81.494 -1.330 9.421 1.00 0.00 C ATOM 0 H LEU A 64 79.102 -2.957 5.680 1.00 0.00 H new ATOM 0 HA LEU A 64 81.316 -1.159 6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.047 -3.726 7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 64 81.710 -3.377 7.923 1.00 0.00 H new ATOM 0 HG LEU A 64 79.699 -1.147 8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 64 79.067 -1.950 10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 64 78.534 -3.086 9.223 1.00 0.00 H new ATOM 0 HD13 LEU A 64 79.974 -3.454 10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 64 81.153 -0.635 10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 64 82.076 -2.126 9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 64 82.116 -0.799 8.701 1.00 0.00 H new ATOM 986 N LEU A 65 83.180 -2.219 5.382 1.00 0.00 N ATOM 987 CA LEU A 65 84.364 -2.727 4.692 1.00 0.00 C ATOM 988 C LEU A 65 85.418 -3.004 5.764 1.00 0.00 C ATOM 989 O LEU A 65 85.261 -2.554 6.905 1.00 0.00 O ATOM 990 CB LEU A 65 84.884 -1.700 3.684 1.00 0.00 C ATOM 991 CG LEU A 65 83.782 -1.353 2.671 1.00 0.00 C ATOM 992 CD1 LEU A 65 84.298 -0.276 1.712 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.390 -2.605 1.867 1.00 0.00 C ATOM 0 H LEU A 65 83.320 -1.305 5.813 1.00 0.00 H new ATOM 0 HA LEU A 65 84.127 -3.633 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 65 85.208 -0.799 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.755 -2.098 3.164 1.00 0.00 H new ATOM 0 HG LEU A 65 82.907 -0.985 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.519 -0.027 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 65 84.568 0.616 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 65 85.175 -0.649 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.608 -2.348 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.262 -2.982 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.022 -3.373 2.547 1.00 0.00 H new ATOM 1005 N LYS A 66 86.501 -3.699 5.417 1.00 0.00 N ATOM 1006 CA LYS A 66 87.544 -3.999 6.391 1.00 0.00 C ATOM 1007 C LYS A 66 88.903 -4.116 5.707 1.00 0.00 C ATOM 1008 O LYS A 66 88.982 -4.280 4.487 1.00 0.00 O ATOM 1009 CB LYS A 66 87.179 -5.306 7.094 1.00 0.00 C ATOM 1010 CG LYS A 66 88.251 -5.686 8.108 1.00 0.00 C ATOM 1011 CD LYS A 66 87.772 -6.900 8.894 1.00 0.00 C ATOM 1012 CE LYS A 66 88.898 -7.386 9.793 1.00 0.00 C ATOM 1013 NZ LYS A 66 89.156 -6.385 10.867 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.676 -4.060 4.479 1.00 0.00 H new ATOM 0 HA LYS A 66 87.615 -3.192 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.217 -5.199 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 66 87.068 -6.102 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 66 89.189 -5.911 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 66 88.446 -4.852 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 66 86.899 -6.640 9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 66 87.466 -7.693 8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 66 88.634 -8.347 10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 66 89.802 -7.543 9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 89.775 -6.804 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 89.618 -5.548 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 88.255 -6.104 11.303 1.00 0.00 H new ATOM 1027 N ASN A 67 89.972 -4.053 6.509 1.00 0.00 N ATOM 1028 CA ASN A 67 91.334 -4.176 5.984 1.00 0.00 C ATOM 1029 C ASN A 67 91.439 -3.464 4.644 1.00 0.00 C ATOM 1030 O ASN A 67 91.790 -4.069 3.630 1.00 0.00 O ATOM 1031 CB ASN A 67 91.696 -5.655 5.820 1.00 0.00 C ATOM 1032 CG ASN A 67 93.189 -5.800 5.542 1.00 0.00 C ATOM 1033 OD1 ASN A 67 93.999 -5.070 6.112 1.00 0.00 O ATOM 1034 ND2 ASN A 67 93.605 -6.709 4.700 1.00 0.00 N ATOM 0 H ASN A 67 89.920 -3.918 7.519 1.00 0.00 H new ATOM 0 HA ASN A 67 92.030 -3.715 6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.431 -6.205 6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.122 -6.090 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 67 94.602 -6.814 4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 67 92.932 -7.313 4.228 1.00 0.00 H new ATOM 1041 N LEU A 68 91.075 -2.190 4.641 1.00 0.00 N ATOM 1042 CA LEU A 68 91.071 -1.420 3.409 1.00 0.00 C ATOM 1043 C LEU A 68 92.447 -1.364 2.769 1.00 0.00 C ATOM 1044 O LEU A 68 93.354 -0.700 3.257 1.00 0.00 O ATOM 1045 CB LEU A 68 90.604 0.001 3.697 1.00 0.00 C ATOM 1046 CG LEU A 68 89.150 -0.009 4.183 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.750 1.412 4.592 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.210 -0.516 3.068 1.00 0.00 C ATOM 0 H LEU A 68 90.782 -1.673 5.470 1.00 0.00 H new ATOM 0 HA LEU A 68 90.392 -1.916 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.245 0.456 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.690 0.610 2.797 1.00 0.00 H new ATOM 0 HG LEU A 68 89.063 -0.680 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.717 1.413 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 68 89.403 1.757 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.846 2.078 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.182 -0.516 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.288 0.139 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.495 -1.529 2.785 1.00 0.00 H new ATOM 1060 N ARG A 69 92.573 -2.057 1.647 1.00 0.00 N ATOM 1061 CA ARG A 69 93.823 -2.097 0.895 1.00 0.00 C ATOM 1062 C ARG A 69 93.741 -1.098 -0.261 1.00 0.00 C ATOM 1063 O ARG A 69 92.645 -0.768 -0.714 1.00 0.00 O ATOM 1064 CB ARG A 69 94.059 -3.527 0.363 1.00 0.00 C ATOM 1065 CG ARG A 69 92.716 -4.207 0.075 1.00 0.00 C ATOM 1066 CD ARG A 69 92.949 -5.608 -0.482 1.00 0.00 C ATOM 1067 NE ARG A 69 93.505 -6.473 0.561 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.121 -7.742 0.690 1.00 0.00 C ATOM 1069 NH1 ARG A 69 93.164 -8.542 -0.338 1.00 0.00 N ATOM 1070 NH2 ARG A 69 92.700 -8.183 1.847 1.00 0.00 N1+ ATOM 0 H ARG A 69 91.819 -2.605 1.233 1.00 0.00 H new ATOM 0 HA ARG A 69 94.659 -1.826 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.660 -3.491 -0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.621 -4.108 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 69 92.125 -4.264 0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.144 -3.614 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 69 92.011 -6.024 -0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 69 93.631 -5.563 -1.331 1.00 0.00 H new ATOM 0 HE ARG A 69 94.202 -6.095 1.203 1.00 0.00 H new ATOM 0 HH11 ARG A 69 93.491 -8.196 -1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 69 92.870 -9.514 -0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 69 92.666 -7.555 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 69 92.406 -9.155 1.946 1.00 0.00 H new ATOM 1084 N PRO A 70 94.856 -0.601 -0.737 1.00 0.00 N ATOM 1085 CA PRO A 70 94.854 0.386 -1.852 1.00 0.00 C ATOM 1086 C PRO A 70 94.059 -0.153 -3.039 1.00 0.00 C ATOM 1087 O PRO A 70 93.348 0.589 -3.721 1.00 0.00 O ATOM 1088 CB PRO A 70 96.346 0.574 -2.226 1.00 0.00 C ATOM 1089 CG PRO A 70 97.148 -0.351 -1.339 1.00 0.00 C ATOM 1090 CD PRO A 70 96.211 -0.914 -0.261 1.00 0.00 C ATOM 0 HA PRO A 70 94.387 1.329 -1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.512 0.339 -3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.652 1.610 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.581 -1.160 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.977 0.187 -0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.349 -1.988 -0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.405 -0.456 0.709 1.00 0.00 H new ATOM 1098 N GLN A 71 94.200 -1.454 -3.274 1.00 0.00 N ATOM 1099 CA GLN A 71 93.510 -2.107 -4.376 1.00 0.00 C ATOM 1100 C GLN A 71 92.007 -1.877 -4.286 1.00 0.00 C ATOM 1101 O GLN A 71 91.386 -1.406 -5.239 1.00 0.00 O ATOM 1102 CB GLN A 71 93.806 -3.610 -4.342 1.00 0.00 C ATOM 1103 CG GLN A 71 92.983 -4.342 -5.414 1.00 0.00 C ATOM 1104 CD GLN A 71 93.362 -5.820 -5.439 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.445 -6.192 -4.984 1.00 0.00 O ATOM 1106 NE2 GLN A 71 92.529 -6.690 -5.942 1.00 0.00 N ATOM 0 H GLN A 71 94.786 -2.075 -2.715 1.00 0.00 H new ATOM 0 HA GLN A 71 93.867 -1.681 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.869 -3.782 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.570 -4.011 -3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 71 91.919 -4.234 -5.205 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.163 -3.895 -6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 71 91.633 -6.380 -6.318 1.00 0.00 H new ATOM 0 HE22 GLN A 71 92.774 -7.680 -5.959 1.00 0.00 H new ATOM 1115 N ASP A 72 91.415 -2.247 -3.156 1.00 0.00 N ATOM 1116 CA ASP A 72 89.978 -2.112 -2.983 1.00 0.00 C ATOM 1117 C ASP A 72 89.483 -0.737 -3.412 1.00 0.00 C ATOM 1118 O ASP A 72 88.376 -0.620 -3.935 1.00 0.00 O ATOM 1119 CB ASP A 72 89.610 -2.343 -1.516 1.00 0.00 C ATOM 1120 CG ASP A 72 88.098 -2.281 -1.325 1.00 0.00 C ATOM 1121 OD1 ASP A 72 87.408 -1.985 -2.286 1.00 0.00 O ATOM 1122 OD2 ASP A 72 87.654 -2.535 -0.217 1.00 0.00 O1- ATOM 0 H ASP A 72 91.906 -2.640 -2.353 1.00 0.00 H new ATOM 0 HA ASP A 72 89.499 -2.859 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 72 89.983 -3.314 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 72 90.092 -1.590 -0.892 1.00 0.00 H new ATOM 1127 N SER A 73 90.275 0.315 -3.188 1.00 0.00 N ATOM 1128 CA SER A 73 89.851 1.660 -3.560 1.00 0.00 C ATOM 1129 C SER A 73 89.149 1.666 -4.909 1.00 0.00 C ATOM 1130 O SER A 73 89.711 1.254 -5.924 1.00 0.00 O ATOM 1131 CB SER A 73 91.063 2.591 -3.600 1.00 0.00 C ATOM 1132 OG SER A 73 91.782 2.470 -2.380 1.00 0.00 O ATOM 0 H SER A 73 91.198 0.260 -2.758 1.00 0.00 H new ATOM 0 HA SER A 73 89.143 2.012 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.706 2.336 -4.442 1.00 0.00 H new ATOM 0 HB3 SER A 73 90.741 3.622 -3.746 1.00 0.00 H new ATOM 0 HG SER A 73 92.538 1.859 -2.505 1.00 0.00 H new ATOM 1138 N CYS A 74 87.904 2.118 -4.897 1.00 0.00 N ATOM 1139 CA CYS A 74 87.102 2.159 -6.115 1.00 0.00 C ATOM 1140 C CYS A 74 85.794 2.924 -5.870 1.00 0.00 C ATOM 1141 O CYS A 74 85.675 3.671 -4.902 1.00 0.00 O ATOM 1142 CB CYS A 74 86.822 0.713 -6.584 1.00 0.00 C ATOM 1143 SG CYS A 74 88.025 0.230 -7.850 1.00 0.00 S ATOM 0 H CYS A 74 87.427 2.460 -4.063 1.00 0.00 H new ATOM 0 HA CYS A 74 87.649 2.685 -6.897 1.00 0.00 H new ATOM 0 HB2 CYS A 74 86.879 0.029 -5.737 1.00 0.00 H new ATOM 0 HB3 CYS A 74 85.811 0.641 -6.985 1.00 0.00 H new ATOM 0 HG CYS A 74 89.226 0.500 -7.432 1.00 0.00 H new ATOM 1149 N ARG A 75 84.829 2.757 -6.769 1.00 0.00 N ATOM 1150 CA ARG A 75 83.551 3.459 -6.654 1.00 0.00 C ATOM 1151 C ARG A 75 82.533 2.693 -5.822 1.00 0.00 C ATOM 1152 O ARG A 75 82.436 1.468 -5.900 1.00 0.00 O ATOM 1153 CB ARG A 75 82.952 3.679 -8.032 1.00 0.00 C ATOM 1154 CG ARG A 75 83.824 4.633 -8.833 1.00 0.00 C ATOM 1155 CD ARG A 75 83.117 4.907 -10.148 1.00 0.00 C ATOM 1156 NE ARG A 75 83.922 5.788 -10.988 1.00 0.00 N ATOM 1157 CZ ARG A 75 83.509 6.147 -12.199 1.00 0.00 C ATOM 1158 NH1 ARG A 75 83.463 5.265 -13.161 1.00 0.00 N ATOM 1159 NH2 ARG A 75 83.148 7.380 -12.425 1.00 0.00 N1+ ATOM 0 H ARG A 75 84.905 2.145 -7.582 1.00 0.00 H new ATOM 0 HA ARG A 75 83.765 4.406 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 75 82.865 2.727 -8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 75 81.945 4.085 -7.939 1.00 0.00 H new ATOM 0 HG2 ARG A 75 83.982 5.561 -8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 75 84.807 4.196 -9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 75 82.930 3.968 -10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 75 82.146 5.364 -9.957 1.00 0.00 H new ATOM 0 HE ARG A 75 84.816 6.134 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 75 83.744 4.301 -12.983 1.00 0.00 H new ATOM 0 HH12 ARG A 75 83.146 5.540 -14.091 1.00 0.00 H new ATOM 0 HH21 ARG A 75 83.183 8.068 -11.673 1.00 0.00 H new ATOM 0 HH22 ARG A 75 82.831 7.656 -13.354 1.00 0.00 H new ATOM 1173 N VAL A 76 81.744 3.449 -5.062 1.00 0.00 N ATOM 1174 CA VAL A 76 80.680 2.884 -4.236 1.00 0.00 C ATOM 1175 C VAL A 76 79.342 3.436 -4.723 1.00 0.00 C ATOM 1176 O VAL A 76 79.048 4.609 -4.508 1.00 0.00 O ATOM 1177 CB VAL A 76 80.895 3.274 -2.773 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.935 2.488 -1.879 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.337 2.963 -2.373 1.00 0.00 C ATOM 0 H VAL A 76 81.823 4.464 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 76 80.688 1.797 -4.314 1.00 0.00 H new ATOM 0 HB VAL A 76 80.703 4.340 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 76 80.093 2.770 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.907 2.712 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 76 80.120 1.420 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.493 3.240 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.527 1.897 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 76 83.020 3.530 -3.005 1.00 0.00 H new ATOM 1189 N THR A 77 78.541 2.605 -5.404 1.00 0.00 N ATOM 1190 CA THR A 77 77.249 3.069 -5.935 1.00 0.00 C ATOM 1191 C THR A 77 76.081 2.290 -5.351 1.00 0.00 C ATOM 1192 O THR A 77 76.125 1.066 -5.216 1.00 0.00 O ATOM 1193 CB THR A 77 77.231 2.933 -7.460 1.00 0.00 C ATOM 1194 OG1 THR A 77 76.831 1.615 -7.812 1.00 0.00 O ATOM 1195 CG2 THR A 77 78.628 3.207 -8.008 1.00 0.00 C ATOM 0 H THR A 77 78.757 1.627 -5.598 1.00 0.00 H new ATOM 0 HA THR A 77 77.137 4.115 -5.648 1.00 0.00 H new ATOM 0 HB THR A 77 76.528 3.650 -7.884 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.311 0.968 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.618 3.111 -9.094 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.934 4.217 -7.736 1.00 0.00 H new ATOM 0 HG23 THR A 77 79.331 2.489 -7.586 1.00 0.00 H new ATOM 1203 N PHE A 78 75.033 3.034 -5.012 1.00 0.00 N ATOM 1204 CA PHE A 78 73.812 2.475 -4.441 1.00 0.00 C ATOM 1205 C PHE A 78 72.621 2.937 -5.275 1.00 0.00 C ATOM 1206 O PHE A 78 72.369 4.138 -5.392 1.00 0.00 O ATOM 1207 CB PHE A 78 73.696 2.966 -2.996 1.00 0.00 C ATOM 1208 CG PHE A 78 72.339 2.640 -2.415 1.00 0.00 C ATOM 1209 CD1 PHE A 78 71.911 1.310 -2.340 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.517 3.667 -1.929 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.663 1.006 -1.783 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.271 3.363 -1.369 1.00 0.00 C ATOM 1213 CZ PHE A 78 69.845 2.032 -1.295 1.00 0.00 C ATOM 0 H PHE A 78 75.007 4.047 -5.126 1.00 0.00 H new ATOM 0 HA PHE A 78 73.833 1.385 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.475 2.505 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.860 4.043 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.544 0.518 -2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.846 4.694 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.331 -0.020 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.639 4.155 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.885 1.796 -0.861 1.00 0.00 H new ATOM 1223 N LEU A 79 71.910 1.984 -5.890 1.00 0.00 N ATOM 1224 CA LEU A 79 70.765 2.316 -6.754 1.00 0.00 C ATOM 1225 C LEU A 79 69.456 1.728 -6.231 1.00 0.00 C ATOM 1226 O LEU A 79 69.108 0.581 -6.520 1.00 0.00 O ATOM 1227 CB LEU A 79 71.049 1.800 -8.172 1.00 0.00 C ATOM 1228 CG LEU A 79 69.806 1.942 -9.064 1.00 0.00 C ATOM 1229 CD1 LEU A 79 69.253 3.367 -8.983 1.00 0.00 C ATOM 1230 CD2 LEU A 79 70.191 1.631 -10.513 1.00 0.00 C ATOM 0 H LEU A 79 72.103 0.986 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 79 70.644 3.399 -6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.879 2.356 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 79 71.354 0.754 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 79 69.040 1.246 -8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 79 68.373 3.452 -9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 79 68.979 3.593 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.014 4.072 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.313 1.730 -11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.960 2.329 -10.843 1.00 0.00 H new ATOM 0 HD23 LEU A 79 70.574 0.612 -10.577 1.00 0.00 H new ATOM 1242 N ALA A 80 68.741 2.534 -5.448 1.00 0.00 N ATOM 1243 CA ALA A 80 67.462 2.129 -4.864 1.00 0.00 C ATOM 1244 C ALA A 80 66.341 3.045 -5.363 1.00 0.00 C ATOM 1245 O ALA A 80 66.330 4.241 -5.069 1.00 0.00 O ATOM 1246 CB ALA A 80 67.562 2.212 -3.334 1.00 0.00 C ATOM 0 H ALA A 80 69.029 3.481 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 80 67.234 1.106 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.613 1.912 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.352 1.547 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.792 3.236 -3.039 1.00 0.00 H new ATOM 1252 N GLY A 81 65.402 2.485 -6.123 1.00 0.00 N ATOM 1253 CA GLY A 81 64.294 3.279 -6.649 1.00 0.00 C ATOM 1254 C GLY A 81 64.822 4.426 -7.502 1.00 0.00 C ATOM 1255 O GLY A 81 66.023 4.507 -7.759 1.00 0.00 O ATOM 0 H GLY A 81 65.385 1.499 -6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 81 63.636 2.647 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.698 3.673 -5.826 1.00 0.00 H new ATOM 1259 N ASP A 82 63.917 5.284 -7.979 1.00 0.00 N ATOM 1260 CA ASP A 82 64.281 6.413 -8.843 1.00 0.00 C ATOM 1261 C ASP A 82 65.307 7.366 -8.217 1.00 0.00 C ATOM 1262 O ASP A 82 65.315 8.555 -8.536 1.00 0.00 O ATOM 1263 CB ASP A 82 63.014 7.209 -9.167 1.00 0.00 C ATOM 1264 CG ASP A 82 63.312 8.249 -10.245 1.00 0.00 C ATOM 1265 OD1 ASP A 82 64.265 8.054 -10.981 1.00 0.00 O ATOM 1266 OD2 ASP A 82 62.584 9.224 -10.314 1.00 0.00 O1- ATOM 0 H ASP A 82 62.919 5.218 -7.780 1.00 0.00 H new ATOM 0 HA ASP A 82 64.743 5.990 -9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.228 6.535 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.644 7.701 -8.268 1.00 0.00 H new ATOM 1271 N MET A 83 66.177 6.856 -7.345 1.00 0.00 N ATOM 1272 CA MET A 83 67.202 7.689 -6.710 1.00 0.00 C ATOM 1273 C MET A 83 68.581 7.040 -6.852 1.00 0.00 C ATOM 1274 O MET A 83 68.735 5.847 -6.594 1.00 0.00 O ATOM 1275 CB MET A 83 66.879 7.855 -5.225 1.00 0.00 C ATOM 1276 CG MET A 83 65.429 8.351 -5.033 1.00 0.00 C ATOM 1277 SD MET A 83 64.324 6.936 -4.772 1.00 0.00 S ATOM 1278 CE MET A 83 64.635 6.700 -2.999 1.00 0.00 C ATOM 0 H MET A 83 66.194 5.876 -7.063 1.00 0.00 H new ATOM 0 HA MET A 83 67.213 8.662 -7.200 1.00 0.00 H new ATOM 0 HB2 MET A 83 67.014 6.904 -4.710 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.574 8.564 -4.774 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.376 9.027 -4.180 1.00 0.00 H new ATOM 0 HG3 MET A 83 65.110 8.917 -5.908 1.00 0.00 H new ATOM 0 HE1 MET A 83 64.378 5.679 -2.717 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.689 6.880 -2.787 1.00 0.00 H new ATOM 0 HE3 MET A 83 64.025 7.399 -2.426 1.00 0.00 H new ATOM 1288 N VAL A 84 69.588 7.824 -7.263 1.00 0.00 N ATOM 1289 CA VAL A 84 70.951 7.293 -7.430 1.00 0.00 C ATOM 1290 C VAL A 84 71.977 8.198 -6.747 1.00 0.00 C ATOM 1291 O VAL A 84 71.939 9.421 -6.889 1.00 0.00 O ATOM 1292 CB VAL A 84 71.285 7.171 -8.924 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.976 8.489 -9.633 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.771 6.833 -9.104 1.00 0.00 C ATOM 0 H VAL A 84 69.489 8.815 -7.484 1.00 0.00 H new ATOM 0 HA VAL A 84 70.993 6.308 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 84 70.679 6.374 -9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 84 71.215 8.397 -10.693 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.918 8.724 -9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.575 9.287 -9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.999 6.748 -10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.380 7.623 -8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.992 5.887 -8.609 1.00 0.00 H new ATOM 1304 N THR A 85 72.907 7.578 -6.017 1.00 0.00 N ATOM 1305 CA THR A 85 73.965 8.315 -5.318 1.00 0.00 C ATOM 1306 C THR A 85 75.262 7.500 -5.339 1.00 0.00 C ATOM 1307 O THR A 85 75.227 6.273 -5.256 1.00 0.00 O ATOM 1308 CB THR A 85 73.526 8.594 -3.874 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.808 7.460 -3.064 1.00 0.00 O ATOM 1310 CG2 THR A 85 72.019 8.873 -3.858 1.00 0.00 C ATOM 0 H THR A 85 72.950 6.566 -5.894 1.00 0.00 H new ATOM 0 HA THR A 85 74.144 9.266 -5.820 1.00 0.00 H new ATOM 0 HB THR A 85 74.066 9.457 -3.484 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.010 7.220 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.697 9.073 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.803 9.740 -4.482 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.484 8.005 -4.244 1.00 0.00 H new ATOM 1318 N SER A 86 76.403 8.179 -5.463 1.00 0.00 N ATOM 1319 CA SER A 86 77.700 7.491 -5.508 1.00 0.00 C ATOM 1320 C SER A 86 78.794 8.347 -4.869 1.00 0.00 C ATOM 1321 O SER A 86 78.789 9.570 -4.998 1.00 0.00 O ATOM 1322 CB SER A 86 78.073 7.195 -6.961 1.00 0.00 C ATOM 1323 OG SER A 86 76.971 6.573 -7.610 1.00 0.00 O ATOM 0 H SER A 86 76.459 9.195 -5.534 1.00 0.00 H new ATOM 0 HA SER A 86 77.615 6.560 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 86 78.340 8.118 -7.476 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.947 6.545 -6.999 1.00 0.00 H new ATOM 0 HG SER A 86 77.205 6.383 -8.542 1.00 0.00 H new ATOM 1329 N ALA A 87 79.726 7.694 -4.166 1.00 0.00 N ATOM 1330 CA ALA A 87 80.820 8.401 -3.486 1.00 0.00 C ATOM 1331 C ALA A 87 82.146 7.677 -3.701 1.00 0.00 C ATOM 1332 O ALA A 87 82.184 6.455 -3.844 1.00 0.00 O ATOM 1333 CB ALA A 87 80.532 8.485 -1.988 1.00 0.00 C ATOM 0 H ALA A 87 79.746 6.681 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 87 80.891 9.404 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.347 9.010 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.599 9.026 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.444 7.479 -1.577 1.00 0.00 H new ATOM 1339 N PHE A 88 83.228 8.449 -3.751 1.00 0.00 N ATOM 1340 CA PHE A 88 84.557 7.890 -3.987 1.00 0.00 C ATOM 1341 C PHE A 88 85.145 7.244 -2.735 1.00 0.00 C ATOM 1342 O PHE A 88 84.733 7.526 -1.608 1.00 0.00 O ATOM 1343 CB PHE A 88 85.508 8.995 -4.444 1.00 0.00 C ATOM 1344 CG PHE A 88 84.898 9.749 -5.599 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.878 9.178 -6.877 1.00 0.00 C ATOM 1346 CD2 PHE A 88 84.352 11.020 -5.392 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.311 9.879 -7.946 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.785 11.722 -6.460 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.764 11.151 -7.738 1.00 0.00 C ATOM 0 H PHE A 88 83.211 9.462 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 88 84.447 7.123 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.710 9.678 -3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.464 8.564 -4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.300 8.197 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE A 88 84.368 11.460 -4.406 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.295 9.439 -8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 88 83.364 12.703 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.326 11.692 -8.564 1.00 0.00 H new ATOM 1359 N LEU A 89 86.152 6.398 -2.962 1.00 0.00 N ATOM 1360 CA LEU A 89 86.870 5.714 -1.886 1.00 0.00 C ATOM 1361 C LEU A 89 88.347 6.058 -1.989 1.00 0.00 C ATOM 1362 O LEU A 89 88.938 5.978 -3.068 1.00 0.00 O ATOM 1363 CB LEU A 89 86.659 4.199 -1.991 1.00 0.00 C ATOM 1364 CG LEU A 89 87.508 3.454 -0.945 1.00 0.00 C ATOM 1365 CD1 LEU A 89 87.236 4.004 0.465 1.00 0.00 C ATOM 1366 CD2 LEU A 89 87.147 1.959 -0.988 1.00 0.00 C ATOM 0 H LEU A 89 86.492 6.168 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 89 86.489 6.041 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.605 3.963 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.926 3.859 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 89 88.564 3.597 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.846 3.464 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 89 87.488 5.064 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 89 86.182 3.874 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.742 1.420 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 89 86.088 1.834 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 89 87.355 1.563 -1.982 1.00 0.00 H new ATOM 1378 N THR A 90 88.941 6.451 -0.866 1.00 0.00 N ATOM 1379 CA THR A 90 90.357 6.818 -0.841 1.00 0.00 C ATOM 1380 C THR A 90 91.084 6.067 0.258 1.00 0.00 C ATOM 1381 O THR A 90 90.803 6.256 1.442 1.00 0.00 O ATOM 1382 CB THR A 90 90.498 8.321 -0.598 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.784 9.032 -1.601 1.00 0.00 O ATOM 1384 CG2 THR A 90 91.975 8.713 -0.651 1.00 0.00 C ATOM 0 H THR A 90 88.469 6.524 0.035 1.00 0.00 H new ATOM 0 HA THR A 90 90.797 6.555 -1.803 1.00 0.00 H new ATOM 0 HB THR A 90 90.093 8.568 0.383 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.873 9.995 -1.445 1.00 0.00 H new ATOM 0 HG21 THR A 90 92.073 9.785 -0.478 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.524 8.169 0.118 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.382 8.465 -1.631 1.00 0.00 H new ATOM 1392 N VAL A 91 92.042 5.232 -0.137 1.00 0.00 N ATOM 1393 CA VAL A 91 92.830 4.472 0.837 1.00 0.00 C ATOM 1394 C VAL A 91 94.310 4.536 0.470 1.00 0.00 C ATOM 1395 O VAL A 91 94.704 4.101 -0.610 1.00 0.00 O ATOM 1396 CB VAL A 91 92.368 3.010 0.841 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.074 2.230 1.958 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.854 2.952 1.065 1.00 0.00 C ATOM 0 H VAL A 91 92.291 5.064 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 91 92.687 4.903 1.828 1.00 0.00 H new ATOM 0 HB VAL A 91 92.618 2.561 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.736 1.194 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.152 2.261 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.837 2.680 2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.526 1.912 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.610 3.412 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.347 3.490 0.264 1.00 0.00 H new ATOM 1408 N ARG A 92 95.133 5.093 1.364 1.00 0.00 N ATOM 1409 CA ARG A 92 96.568 5.215 1.099 1.00 0.00 C ATOM 1410 C ARG A 92 97.352 4.109 1.793 1.00 0.00 C ATOM 1411 O ARG A 92 97.082 3.764 2.946 1.00 0.00 O ATOM 1412 CB ARG A 92 97.060 6.584 1.571 1.00 0.00 C ATOM 1413 CG ARG A 92 98.533 6.759 1.200 1.00 0.00 C ATOM 1414 CD ARG A 92 98.966 8.185 1.540 1.00 0.00 C ATOM 1415 NE ARG A 92 98.219 9.141 0.726 1.00 0.00 N ATOM 1416 CZ ARG A 92 98.625 9.472 -0.497 1.00 0.00 C ATOM 1417 NH1 ARG A 92 99.666 8.883 -1.017 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 92 97.981 10.382 -1.176 1.00 0.00 N ATOM 0 H ARG A 92 94.834 5.462 2.267 1.00 0.00 H new ATOM 0 HA ARG A 92 96.731 5.118 0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.464 7.373 1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 92 96.934 6.674 2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 92 99.146 6.040 1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 92 98.679 6.564 0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 92 98.795 8.383 2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 92 100.035 8.301 1.363 1.00 0.00 H new ATOM 0 HE ARG A 92 97.370 9.563 1.103 1.00 0.00 H new ATOM 0 HH11 ARG A 92 100.167 8.170 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 92 99.979 9.135 -1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 92 97.166 10.840 -0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 92 98.293 10.635 -2.114 1.00 0.00 H new ATOM 1432 N GLY A 93 98.326 3.558 1.074 1.00 0.00 N ATOM 1433 CA GLY A 93 99.158 2.487 1.605 1.00 0.00 C ATOM 1434 C GLY A 93 100.467 2.386 0.831 1.00 0.00 C ATOM 1435 O GLY A 93 101.467 1.879 1.340 1.00 0.00 O ATOM 0 H GLY A 93 98.557 3.837 0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 93 99.366 2.671 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 93 98.621 1.540 1.546 1.00 0.00 H new ATOM 1439 N GLY A 94 100.451 2.868 -0.408 1.00 0.00 N ATOM 1440 CA GLY A 94 101.641 2.822 -1.248 1.00 0.00 C ATOM 1441 C GLY A 94 102.595 3.958 -0.904 1.00 0.00 C ATOM 1442 O GLY A 94 102.234 5.133 -0.981 1.00 0.00 O ATOM 0 H GLY A 94 99.634 3.291 -0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 94 102.147 1.865 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 94 101.353 2.889 -2.297 1.00 0.00 H new ATOM 1446 N LEU A 95 103.813 3.594 -0.515 1.00 0.00 N ATOM 1447 CA LEU A 95 104.830 4.577 -0.143 1.00 0.00 C ATOM 1448 C LEU A 95 105.816 4.785 -1.291 1.00 0.00 C ATOM 1449 O LEU A 95 106.271 3.822 -1.906 1.00 0.00 O ATOM 1450 CB LEU A 95 105.593 4.076 1.082 1.00 0.00 C ATOM 1451 CG LEU A 95 104.608 3.701 2.193 1.00 0.00 C ATOM 1452 CD1 LEU A 95 105.389 3.163 3.396 1.00 0.00 C ATOM 1453 CD2 LEU A 95 103.788 4.934 2.609 1.00 0.00 C ATOM 0 H LEU A 95 104.122 2.624 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 95 104.338 5.523 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 95 106.199 3.211 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.277 4.847 1.436 1.00 0.00 H new ATOM 0 HG LEU A 95 103.924 2.934 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 95 104.693 2.894 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 95 105.956 2.282 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 95 106.074 3.930 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 95 103.090 4.657 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 95 104.459 5.711 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 95 103.232 5.308 1.749 1.00 0.00 H new ATOM 1465 N GLU A 96 106.145 6.043 -1.574 1.00 0.00 N ATOM 1466 CA GLU A 96 107.086 6.361 -2.650 1.00 0.00 C ATOM 1467 C GLU A 96 108.530 6.264 -2.159 1.00 0.00 C ATOM 1468 O GLU A 96 109.469 6.311 -2.954 1.00 0.00 O ATOM 1469 CB GLU A 96 106.817 7.772 -3.183 1.00 0.00 C ATOM 1470 CG GLU A 96 105.489 7.784 -3.941 1.00 0.00 C ATOM 1471 CD GLU A 96 105.124 9.211 -4.331 1.00 0.00 C ATOM 1472 OE1 GLU A 96 105.955 10.085 -4.147 1.00 0.00 O1- ATOM 1473 OE2 GLU A 96 104.020 9.410 -4.811 1.00 0.00 O ATOM 0 H GLU A 96 105.778 6.855 -1.078 1.00 0.00 H new ATOM 0 HA GLU A 96 106.943 5.636 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 96 106.784 8.484 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 96 107.627 8.084 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 96 105.565 7.163 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 96 104.702 7.356 -3.320 1.00 0.00 H new ATOM 1480 N HIS A 97 108.707 6.133 -0.844 1.00 0.00 N ATOM 1481 CA HIS A 97 110.046 6.033 -0.259 1.00 0.00 C ATOM 1482 C HIS A 97 110.495 4.577 -0.170 1.00 0.00 C ATOM 1483 O HIS A 97 111.539 4.273 0.404 1.00 0.00 O ATOM 1484 CB HIS A 97 110.052 6.653 1.141 1.00 0.00 C ATOM 1485 CG HIS A 97 109.802 8.133 1.032 1.00 0.00 C ATOM 1486 ND1 HIS A 97 110.798 9.025 0.663 1.00 0.00 N ATOM 1487 CD2 HIS A 97 108.675 8.894 1.233 1.00 0.00 C ATOM 1488 CE1 HIS A 97 110.257 10.256 0.653 1.00 0.00 C ATOM 1489 NE2 HIS A 97 108.967 10.235 0.993 1.00 0.00 N ATOM 0 H HIS A 97 107.946 6.094 -0.167 1.00 0.00 H new ATOM 0 HA HIS A 97 110.739 6.574 -0.904 1.00 0.00 H new ATOM 0 HB2 HIS A 97 109.285 6.188 1.760 1.00 0.00 H new ATOM 0 HB3 HIS A 97 111.010 6.469 1.628 1.00 0.00 H new ATOM 0 HD2 HIS A 97 107.710 8.511 1.531 1.00 0.00 H new ATOM 0 HE1 HIS A 97 110.801 11.154 0.400 1.00 0.00 H new ATOM 0 HE2 HIS A 97 108.331 11.030 1.062 1.00 0.00 H new ATOM 1497 N HIS A 98 109.698 3.681 -0.740 1.00 0.00 N ATOM 1498 CA HIS A 98 110.022 2.259 -0.716 1.00 0.00 C ATOM 1499 C HIS A 98 111.050 1.916 -1.787 1.00 0.00 C ATOM 1500 O HIS A 98 110.881 2.263 -2.954 1.00 0.00 O ATOM 1501 CB HIS A 98 108.759 1.433 -0.959 1.00 0.00 C ATOM 1502 CG HIS A 98 109.082 -0.022 -0.775 1.00 0.00 C ATOM 1503 ND1 HIS A 98 108.936 -0.663 0.444 1.00 0.00 N ATOM 1504 CD2 HIS A 98 109.563 -0.970 -1.644 1.00 0.00 C ATOM 1505 CE1 HIS A 98 109.324 -1.940 0.279 1.00 0.00 C ATOM 1506 NE2 HIS A 98 109.716 -2.181 -0.975 1.00 0.00 N ATOM 0 H HIS A 98 108.829 3.911 -1.221 1.00 0.00 H new ATOM 0 HA HIS A 98 110.439 2.025 0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 98 107.973 1.734 -0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 98 108.381 1.610 -1.966 1.00 0.00 H new ATOM 0 HD2 HIS A 98 109.788 -0.802 -2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 98 109.319 -2.681 1.065 1.00 0.00 H new ATOM 0 HE2 HIS A 98 110.055 -3.063 -1.360 1.00 0.00 H new ATOM 1514 N HIS A 99 112.113 1.217 -1.386 1.00 0.00 N ATOM 1515 CA HIS A 99 113.165 0.812 -2.325 1.00 0.00 C ATOM 1516 C HIS A 99 113.386 -0.697 -2.255 1.00 0.00 C ATOM 1517 O HIS A 99 113.761 -1.235 -1.213 1.00 0.00 O ATOM 1518 CB HIS A 99 114.470 1.549 -2.004 1.00 0.00 C ATOM 1519 CG HIS A 99 115.448 1.344 -3.129 1.00 0.00 C ATOM 1520 ND1 HIS A 99 115.199 1.792 -4.417 1.00 0.00 N ATOM 1521 CD2 HIS A 99 116.682 0.745 -3.174 1.00 0.00 C ATOM 1522 CE1 HIS A 99 116.258 1.457 -5.175 1.00 0.00 C ATOM 1523 NE2 HIS A 99 117.192 0.817 -4.466 1.00 0.00 N ATOM 0 H HIS A 99 112.270 0.920 -0.423 1.00 0.00 H new ATOM 0 HA HIS A 99 112.850 1.073 -3.335 1.00 0.00 H new ATOM 0 HB2 HIS A 99 114.276 2.613 -1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 99 114.890 1.177 -1.069 1.00 0.00 H new ATOM 0 HD2 HIS A 99 117.182 0.287 -2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 99 116.343 1.678 -6.229 1.00 0.00 H new ATOM 0 HE2 HIS A 99 118.086 0.458 -4.800 1.00 0.00 H new ATOM 1531 N HIS A 100 113.144 -1.372 -3.379 1.00 0.00 N ATOM 1532 CA HIS A 100 113.308 -2.829 -3.465 1.00 0.00 C ATOM 1533 C HIS A 100 114.562 -3.173 -4.266 1.00 0.00 C ATOM 1534 O HIS A 100 114.740 -4.310 -4.705 1.00 0.00 O ATOM 1535 CB HIS A 100 112.080 -3.437 -4.147 1.00 0.00 C ATOM 1536 CG HIS A 100 112.126 -4.936 -4.046 1.00 0.00 C ATOM 1537 ND1 HIS A 100 111.905 -5.604 -2.851 1.00 0.00 N ATOM 1538 CD2 HIS A 100 112.355 -5.911 -4.984 1.00 0.00 C ATOM 1539 CE1 HIS A 100 112.004 -6.924 -3.101 1.00 0.00 C ATOM 1540 NE2 HIS A 100 112.278 -7.166 -4.385 1.00 0.00 N ATOM 0 H HIS A 100 112.833 -0.934 -4.246 1.00 0.00 H new ATOM 0 HA HIS A 100 113.410 -3.237 -2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 100 111.170 -3.060 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 100 112.049 -3.136 -5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 100 112.563 -5.732 -6.029 1.00 0.00 H new ATOM 0 HE1 HIS A 100 111.877 -7.693 -2.353 1.00 0.00 H new ATOM 0 HE2 HIS A 100 112.404 -8.075 -4.831 1.00 0.00 H new ATOM 1548 N HIS A 101 115.427 -2.177 -4.455 1.00 0.00 N ATOM 1549 CA HIS A 101 116.661 -2.374 -5.210 1.00 0.00 C ATOM 1550 C HIS A 101 116.377 -3.111 -6.515 1.00 0.00 C ATOM 1551 O HIS A 101 117.292 -3.624 -7.163 1.00 0.00 O ATOM 1552 CB HIS A 101 117.676 -3.166 -4.382 1.00 0.00 C ATOM 1553 CG HIS A 101 118.974 -3.267 -5.144 1.00 0.00 C ATOM 1554 ND1 HIS A 101 119.844 -2.193 -5.265 1.00 0.00 N ATOM 1555 CD2 HIS A 101 119.561 -4.302 -5.829 1.00 0.00 C ATOM 1556 CE1 HIS A 101 120.896 -2.603 -5.997 1.00 0.00 C ATOM 1557 NE2 HIS A 101 120.774 -3.881 -6.367 1.00 0.00 N ATOM 0 H HIS A 101 115.296 -1.231 -4.097 1.00 0.00 H new ATOM 0 HA HIS A 101 117.078 -1.393 -5.439 1.00 0.00 H new ATOM 0 HB2 HIS A 101 117.842 -2.675 -3.423 1.00 0.00 H new ATOM 0 HB3 HIS A 101 117.289 -4.162 -4.168 1.00 0.00 H new ATOM 0 HD2 HIS A 101 119.145 -5.293 -5.935 1.00 0.00 H new ATOM 0 HE1 HIS A 101 121.737 -1.975 -6.254 1.00 0.00 H new ATOM 0 HE2 HIS A 101 121.429 -4.430 -6.924 1.00 0.00 H new ATOM 1565 N HIS A 102 115.103 -3.156 -6.894 1.00 0.00 N ATOM 1566 CA HIS A 102 114.695 -3.825 -8.126 1.00 0.00 C ATOM 1567 C HIS A 102 115.491 -3.288 -9.312 1.00 0.00 C ATOM 1568 O HIS A 102 115.112 -2.255 -9.837 1.00 0.00 O ATOM 1569 CB HIS A 102 113.199 -3.598 -8.359 1.00 0.00 C ATOM 1570 CG HIS A 102 112.713 -4.449 -9.499 1.00 0.00 C ATOM 1571 ND1 HIS A 102 112.540 -3.942 -10.777 1.00 0.00 N ATOM 1572 CD2 HIS A 102 112.333 -5.766 -9.563 1.00 0.00 C ATOM 1573 CE1 HIS A 102 112.070 -4.940 -11.549 1.00 0.00 C ATOM 1574 NE2 HIS A 102 111.926 -6.074 -10.858 1.00 0.00 N ATOM 1575 OXT HIS A 102 116.470 -3.919 -9.677 1.00 0.00 O ATOM 0 H HIS A 102 114.336 -2.738 -6.367 1.00 0.00 H new ATOM 0 HA HIS A 102 114.891 -4.893 -8.031 1.00 0.00 H new ATOM 0 HB2 HIS A 102 112.642 -3.839 -7.453 1.00 0.00 H new ATOM 0 HB3 HIS A 102 113.013 -2.546 -8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 102 112.348 -6.458 -8.734 1.00 0.00 H new ATOM 0 HE1 HIS A 102 111.838 -4.836 -12.599 1.00 0.00 H new ATOM 0 HE2 HIS A 102 111.590 -6.972 -11.205 1.00 0.00 H new TER 1583 HIS A 102