USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=17 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 97 HIS : no HD1:sc= -0.624 K(o=-1.2,f=-0.063) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -0.592 X(o=-1.2,f=-0.81) USER MOD Set 2.1: A 25 CYS SG : rot 5:sc= 1.04 USER MOD Set 2.2: A 85 THR OG1 : rot -70:sc= -0.783 USER MOD Single : A 1 THR N :NH3+ -120:sc= 0.849 (180deg=-0.721) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.9! C(o=-1.9!,f=-8.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 12 ASN : amide:sc= -0.598 K(o=-0.6,f=-2) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 28 SER OG : rot 115:sc= 0.779 USER MOD Single : A 29 GLN : amide:sc= -7.28! C(o=-7.3!,f=-20!) USER MOD Single : A 35 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-6.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -38:sc= -1.31! USER MOD Single : A 47 SER OG : rot -119:sc= 0.944 USER MOD Single : A 49 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.6) USER MOD Single : A 57 ASN : amide:sc= -0.0255 K(o=-0.026,f=-1.8!) USER MOD Single : A 61 HIS : no HD1:sc= -0.608 K(o=-0.61,f=-0.083) USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= -0.162 (180deg=-0.753) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 71 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 73 SER OG : rot 30:sc= -1.14 USER MOD Single : A 74 CYS SG : rot -115:sc= 0.649 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 146:sc= -2.96 (180deg=-5.34!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.238 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc=-0.00914 K(o=-0.0091,f=-1.5) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 101 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.0085) USER MOD Single : A 102 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 55.389 -0.272 -1.731 1.00 0.00 N ATOM 2 CA THR A 1 55.524 0.916 -2.620 1.00 0.00 C ATOM 3 C THR A 1 54.517 1.992 -2.221 1.00 0.00 C ATOM 4 O THR A 1 53.371 1.978 -2.672 1.00 0.00 O ATOM 5 CB THR A 1 55.267 0.493 -4.068 1.00 0.00 C ATOM 6 OG1 THR A 1 55.916 -0.746 -4.318 1.00 0.00 O ATOM 7 CG2 THR A 1 55.812 1.571 -5.011 1.00 0.00 C ATOM 0 H1 THR A 1 56.288 -0.438 -1.235 1.00 0.00 H new ATOM 0 H2 THR A 1 54.635 -0.101 -1.035 1.00 0.00 H new ATOM 0 H3 THR A 1 55.150 -1.108 -2.302 1.00 0.00 H new ATOM 0 HA THR A 1 56.531 1.321 -2.523 1.00 0.00 H new ATOM 0 HB THR A 1 54.197 0.375 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 1 55.752 -1.020 -5.244 1.00 0.00 H new ATOM 0 HG21 THR A 1 55.632 1.275 -6.045 1.00 0.00 H new ATOM 0 HG22 THR A 1 55.309 2.517 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A 1 56.883 1.688 -4.849 1.00 0.00 H new ATOM 17 N ALA A 2 54.957 2.935 -1.385 1.00 0.00 N ATOM 18 CA ALA A 2 54.101 4.032 -0.938 1.00 0.00 C ATOM 19 C ALA A 2 54.871 5.354 -0.973 1.00 0.00 C ATOM 20 O ALA A 2 54.285 6.415 -1.178 1.00 0.00 O ATOM 21 CB ALA A 2 53.607 3.761 0.483 1.00 0.00 C ATOM 0 H ALA A 2 55.903 2.959 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 2 53.245 4.104 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.970 4.583 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 2 53.038 2.832 0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.461 3.675 1.155 1.00 0.00 H new ATOM 27 N LYS A 3 56.189 5.284 -0.787 1.00 0.00 N ATOM 28 CA LYS A 3 57.027 6.479 -0.821 1.00 0.00 C ATOM 29 C LYS A 3 58.494 6.079 -0.764 1.00 0.00 C ATOM 30 O LYS A 3 58.913 5.399 0.169 1.00 0.00 O ATOM 31 CB LYS A 3 56.715 7.398 0.366 1.00 0.00 C ATOM 32 CG LYS A 3 57.508 8.699 0.206 1.00 0.00 C ATOM 33 CD LYS A 3 57.224 9.641 1.374 1.00 0.00 C ATOM 34 CE LYS A 3 58.017 10.935 1.174 1.00 0.00 C ATOM 35 NZ LYS A 3 57.780 11.848 2.324 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.696 4.416 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 3 56.820 7.014 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.647 7.610 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.980 6.908 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 3 58.575 8.479 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 3 57.240 9.183 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 3 56.157 9.858 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 3 57.505 9.169 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 3 59.080 10.712 1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 3 57.715 11.418 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 58.319 12.727 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 56.766 12.071 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 58.089 11.386 3.203 1.00 0.00 H new ATOM 49 N ASN A 4 59.280 6.514 -1.748 1.00 0.00 N ATOM 50 CA ASN A 4 60.704 6.197 -1.782 1.00 0.00 C ATOM 51 C ASN A 4 61.494 7.438 -2.168 1.00 0.00 C ATOM 52 O ASN A 4 61.466 7.854 -3.326 1.00 0.00 O ATOM 53 CB ASN A 4 60.948 5.078 -2.797 1.00 0.00 C ATOM 54 CG ASN A 4 60.343 5.458 -4.147 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.765 6.534 -4.284 1.00 0.00 O ATOM 56 ND2 ASN A 4 60.437 4.638 -5.159 1.00 0.00 N ATOM 0 H ASN A 4 58.955 7.085 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 4 61.031 5.864 -0.797 1.00 0.00 H new ATOM 0 HB2 ASN A 4 62.018 4.901 -2.905 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.506 4.148 -2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 4 60.031 4.891 -6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 4 60.916 3.744 -5.048 1.00 0.00 H new ATOM 63 N THR A 5 62.199 8.047 -1.208 1.00 0.00 N ATOM 64 CA THR A 5 62.971 9.248 -1.520 1.00 0.00 C ATOM 65 C THR A 5 64.199 9.391 -0.622 1.00 0.00 C ATOM 66 O THR A 5 64.078 9.557 0.591 1.00 0.00 O ATOM 67 CB THR A 5 62.083 10.480 -1.374 1.00 0.00 C ATOM 68 OG1 THR A 5 60.990 10.358 -2.275 1.00 0.00 O ATOM 69 CG2 THR A 5 62.891 11.742 -1.702 1.00 0.00 C ATOM 0 H THR A 5 62.250 7.738 -0.237 1.00 0.00 H new ATOM 0 HA THR A 5 63.322 9.157 -2.548 1.00 0.00 H new ATOM 0 HB THR A 5 61.714 10.557 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.408 11.142 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 5 62.253 12.620 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.735 11.822 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 5 63.260 11.682 -2.726 1.00 0.00 H new ATOM 77 N VAL A 6 65.382 9.325 -1.235 1.00 0.00 N ATOM 78 CA VAL A 6 66.627 9.450 -0.483 1.00 0.00 C ATOM 79 C VAL A 6 66.723 10.829 0.156 1.00 0.00 C ATOM 80 O VAL A 6 66.498 11.851 -0.493 1.00 0.00 O ATOM 81 CB VAL A 6 67.859 9.220 -1.384 1.00 0.00 C ATOM 82 CG1 VAL A 6 69.147 9.631 -0.647 1.00 0.00 C ATOM 83 CG2 VAL A 6 67.973 7.736 -1.746 1.00 0.00 C ATOM 0 H VAL A 6 65.502 9.187 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 6 66.617 8.684 0.292 1.00 0.00 H new ATOM 0 HB VAL A 6 67.736 9.822 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 6 70.007 9.463 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 6 69.093 10.687 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 6 69.254 9.035 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 6 68.845 7.583 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 6 68.080 7.147 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 6 67.076 7.421 -2.279 1.00 0.00 H new ATOM 93 N VAL A 7 67.103 10.833 1.428 1.00 0.00 N ATOM 94 CA VAL A 7 67.289 12.065 2.182 1.00 0.00 C ATOM 95 C VAL A 7 68.760 12.464 2.103 1.00 0.00 C ATOM 96 O VAL A 7 69.099 13.644 2.078 1.00 0.00 O ATOM 97 CB VAL A 7 66.876 11.850 3.640 1.00 0.00 C ATOM 98 CG1 VAL A 7 66.967 13.170 4.406 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.434 11.347 3.681 1.00 0.00 C ATOM 0 H VAL A 7 67.290 9.985 1.964 1.00 0.00 H new ATOM 0 HA VAL A 7 66.670 12.858 1.763 1.00 0.00 H new ATOM 0 HB VAL A 7 67.541 11.119 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.672 13.010 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 7 67.992 13.540 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.302 13.903 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.132 11.191 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.778 12.085 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.361 10.405 3.137 1.00 0.00 H new ATOM 109 N ARG A 8 69.626 11.449 2.048 1.00 0.00 N ATOM 110 CA ARG A 8 71.069 11.659 1.953 1.00 0.00 C ATOM 111 C ARG A 8 71.701 10.546 1.130 1.00 0.00 C ATOM 112 O ARG A 8 71.454 9.369 1.381 1.00 0.00 O ATOM 113 CB ARG A 8 71.700 11.693 3.359 1.00 0.00 C ATOM 114 CG ARG A 8 73.192 11.291 3.298 1.00 0.00 C ATOM 115 CD ARG A 8 73.873 11.674 4.614 1.00 0.00 C ATOM 116 NE ARG A 8 75.314 11.456 4.539 1.00 0.00 N ATOM 117 CZ ARG A 8 76.109 11.794 5.554 1.00 0.00 C ATOM 118 NH1 ARG A 8 76.352 13.052 5.798 1.00 0.00 N ATOM 119 NH2 ARG A 8 76.639 10.876 6.315 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.348 10.468 2.068 1.00 0.00 H new ATOM 0 HA ARG A 8 71.252 12.616 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.605 12.693 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.162 11.014 4.021 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.285 10.219 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.682 11.792 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.671 12.721 4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 8 73.454 11.084 5.430 1.00 0.00 H new ATOM 0 HE ARG A 8 75.718 11.040 3.700 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.934 13.775 5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 8 76.960 13.313 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 8 76.446 9.891 6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 8 77.246 11.144 7.090 1.00 0.00 H new ATOM 133 N GLY A 9 72.544 10.920 0.178 1.00 0.00 N ATOM 134 CA GLY A 9 73.230 9.941 -0.640 1.00 0.00 C ATOM 135 C GLY A 9 74.471 9.455 0.089 1.00 0.00 C ATOM 136 O GLY A 9 74.646 9.724 1.279 1.00 0.00 O ATOM 0 H GLY A 9 72.766 11.891 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.568 9.102 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.507 10.381 -1.598 1.00 0.00 H new ATOM 140 N LEU A 10 75.335 8.752 -0.619 1.00 0.00 N ATOM 141 CA LEU A 10 76.556 8.257 -0.012 1.00 0.00 C ATOM 142 C LEU A 10 77.493 9.421 0.280 1.00 0.00 C ATOM 143 O LEU A 10 77.251 10.548 -0.154 1.00 0.00 O ATOM 144 CB LEU A 10 77.221 7.240 -0.938 1.00 0.00 C ATOM 145 CG LEU A 10 76.300 6.013 -1.092 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.629 5.270 -2.402 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.497 5.052 0.091 1.00 0.00 C ATOM 0 H LEU A 10 75.217 8.513 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 10 76.320 7.760 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.413 7.689 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.185 6.936 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 10 75.266 6.356 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.974 4.404 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.478 5.940 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.667 4.939 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.842 4.189 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.534 4.719 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.255 5.566 1.021 1.00 0.00 H new ATOM 159 N GLU A 11 78.551 9.152 1.035 1.00 0.00 N ATOM 160 CA GLU A 11 79.511 10.191 1.397 1.00 0.00 C ATOM 161 C GLU A 11 80.938 9.694 1.192 1.00 0.00 C ATOM 162 O GLU A 11 81.230 8.524 1.423 1.00 0.00 O ATOM 163 CB GLU A 11 79.313 10.572 2.868 1.00 0.00 C ATOM 164 CG GLU A 11 80.266 11.704 3.233 1.00 0.00 C ATOM 165 CD GLU A 11 80.005 12.166 4.659 1.00 0.00 C ATOM 166 OE1 GLU A 11 79.292 11.471 5.364 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 80.522 13.207 5.026 1.00 0.00 O ATOM 0 H GLU A 11 78.767 8.227 1.408 1.00 0.00 H new ATOM 0 HA GLU A 11 79.347 11.060 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.282 10.881 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.497 9.708 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.298 11.367 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.135 12.537 2.543 1.00 0.00 H new ATOM 174 N ASN A 12 81.827 10.597 0.778 1.00 0.00 N ATOM 175 CA ASN A 12 83.228 10.235 0.576 1.00 0.00 C ATOM 176 C ASN A 12 83.774 9.621 1.862 1.00 0.00 C ATOM 177 O ASN A 12 83.377 10.007 2.961 1.00 0.00 O ATOM 178 CB ASN A 12 84.048 11.473 0.195 1.00 0.00 C ATOM 179 CG ASN A 12 83.830 12.572 1.230 1.00 0.00 C ATOM 180 OD1 ASN A 12 84.224 12.425 2.387 1.00 0.00 O ATOM 181 ND2 ASN A 12 83.219 13.672 0.886 1.00 0.00 N ATOM 0 H ASN A 12 81.605 11.572 0.578 1.00 0.00 H new ATOM 0 HA ASN A 12 83.301 9.511 -0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.106 11.217 0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 12 83.753 11.827 -0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 12 83.068 14.409 1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 12 82.892 13.795 -0.072 1.00 0.00 H new ATOM 188 N VAL A 13 84.690 8.668 1.717 1.00 0.00 N ATOM 189 CA VAL A 13 85.289 7.999 2.886 1.00 0.00 C ATOM 190 C VAL A 13 86.810 7.952 2.773 1.00 0.00 C ATOM 191 O VAL A 13 87.349 7.554 1.749 1.00 0.00 O ATOM 192 CB VAL A 13 84.741 6.577 2.985 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.398 5.828 4.154 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.228 6.636 3.199 1.00 0.00 C ATOM 0 H VAL A 13 85.036 8.339 0.816 1.00 0.00 H new ATOM 0 HA VAL A 13 85.031 8.566 3.781 1.00 0.00 H new ATOM 0 HB VAL A 13 84.965 6.044 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.996 4.816 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.476 5.782 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.189 6.353 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.831 5.623 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.012 7.176 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.761 7.150 2.359 1.00 0.00 H new ATOM 204 N GLU A 14 87.500 8.370 3.835 1.00 0.00 N ATOM 205 CA GLU A 14 88.967 8.380 3.849 1.00 0.00 C ATOM 206 C GLU A 14 89.493 7.611 5.053 1.00 0.00 C ATOM 207 O GLU A 14 89.075 7.854 6.183 1.00 0.00 O ATOM 208 CB GLU A 14 89.455 9.825 3.904 1.00 0.00 C ATOM 209 CG GLU A 14 90.981 9.883 3.842 1.00 0.00 C ATOM 210 CD GLU A 14 91.419 11.338 3.789 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.582 12.193 4.034 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 92.579 11.581 3.500 1.00 0.00 O ATOM 0 H GLU A 14 87.069 8.706 4.696 1.00 0.00 H new ATOM 0 HA GLU A 14 89.338 7.899 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.031 10.389 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.105 10.297 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.412 9.391 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.343 9.349 2.964 1.00 0.00 H new ATOM 219 N ALA A 15 90.412 6.685 4.801 1.00 0.00 N ATOM 220 CA ALA A 15 90.992 5.884 5.872 1.00 0.00 C ATOM 221 C ALA A 15 92.322 5.288 5.424 1.00 0.00 C ATOM 222 O ALA A 15 92.516 4.988 4.248 1.00 0.00 O ATOM 223 CB ALA A 15 90.028 4.758 6.262 1.00 0.00 C ATOM 0 H ALA A 15 90.769 6.472 3.870 1.00 0.00 H new ATOM 0 HA ALA A 15 91.164 6.527 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.468 4.163 7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 15 89.086 5.187 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.843 4.121 5.397 1.00 0.00 H new ATOM 229 N LEU A 16 93.239 5.115 6.359 1.00 0.00 N ATOM 230 CA LEU A 16 94.538 4.550 6.023 1.00 0.00 C ATOM 231 C LEU A 16 94.435 3.035 5.853 1.00 0.00 C ATOM 232 O LEU A 16 93.469 2.411 6.290 1.00 0.00 O ATOM 233 CB LEU A 16 95.558 4.864 7.123 1.00 0.00 C ATOM 234 CG LEU A 16 94.954 4.552 8.523 1.00 0.00 C ATOM 235 CD1 LEU A 16 96.024 3.925 9.423 1.00 0.00 C ATOM 236 CD2 LEU A 16 94.446 5.845 9.189 1.00 0.00 C ATOM 0 H LEU A 16 93.114 5.353 7.343 1.00 0.00 H new ATOM 0 HA LEU A 16 94.868 4.997 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 16 96.462 4.274 6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 16 95.849 5.913 7.070 1.00 0.00 H new ATOM 0 HG LEU A 16 94.123 3.859 8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 16 95.595 3.709 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 16 96.383 3.000 8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 16 96.856 4.620 9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 16 94.027 5.610 10.167 1.00 0.00 H new ATOM 0 HD22 LEU A 16 95.275 6.543 9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 16 93.677 6.298 8.564 1.00 0.00 H new ATOM 248 N GLU A 17 95.437 2.462 5.205 1.00 0.00 N ATOM 249 CA GLU A 17 95.477 1.024 4.956 1.00 0.00 C ATOM 250 C GLU A 17 95.268 0.218 6.238 1.00 0.00 C ATOM 251 O GLU A 17 95.872 0.498 7.274 1.00 0.00 O ATOM 252 CB GLU A 17 96.834 0.669 4.348 1.00 0.00 C ATOM 253 CG GLU A 17 96.868 -0.809 3.941 1.00 0.00 C ATOM 254 CD GLU A 17 97.123 -1.690 5.161 1.00 0.00 C ATOM 255 OE1 GLU A 17 98.096 -1.439 5.855 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 96.350 -2.605 5.380 1.00 0.00 O ATOM 0 H GLU A 17 96.240 2.973 4.838 1.00 0.00 H new ATOM 0 HA GLU A 17 94.667 0.772 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.025 1.297 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.627 0.873 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 17 95.922 -1.087 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.649 -0.971 3.198 1.00 0.00 H new ATOM 263 N GLY A 18 94.415 -0.797 6.142 1.00 0.00 N ATOM 264 CA GLY A 18 94.124 -1.670 7.273 1.00 0.00 C ATOM 265 C GLY A 18 93.134 -1.021 8.238 1.00 0.00 C ATOM 266 O GLY A 18 93.067 -1.388 9.410 1.00 0.00 O ATOM 0 H GLY A 18 93.911 -1.036 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.716 -2.613 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.048 -1.904 7.801 1.00 0.00 H new ATOM 270 N GLY A 19 92.370 -0.050 7.739 1.00 0.00 N ATOM 271 CA GLY A 19 91.382 0.651 8.563 1.00 0.00 C ATOM 272 C GLY A 19 89.990 0.060 8.362 1.00 0.00 C ATOM 273 O GLY A 19 89.848 -1.114 8.026 1.00 0.00 O ATOM 0 H GLY A 19 92.415 0.270 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.663 0.581 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.373 1.710 8.305 1.00 0.00 H new ATOM 277 N GLU A 20 88.965 0.886 8.560 1.00 0.00 N ATOM 278 CA GLU A 20 87.578 0.442 8.383 1.00 0.00 C ATOM 279 C GLU A 20 86.793 1.505 7.626 1.00 0.00 C ATOM 280 O GLU A 20 87.189 2.672 7.603 1.00 0.00 O ATOM 281 CB GLU A 20 86.924 0.169 9.743 1.00 0.00 C ATOM 282 CG GLU A 20 85.504 -0.380 9.528 1.00 0.00 C ATOM 283 CD GLU A 20 84.857 -0.772 10.853 1.00 0.00 C ATOM 284 OE1 GLU A 20 85.313 -0.298 11.879 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 83.896 -1.526 10.815 1.00 0.00 O ATOM 0 H GLU A 20 89.064 1.861 8.841 1.00 0.00 H new ATOM 0 HA GLU A 20 87.574 -0.484 7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 20 87.521 -0.547 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 20 86.886 1.086 10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 84.892 0.372 9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.543 -1.247 8.869 1.00 0.00 H new ATOM 292 N ALA A 21 85.681 1.107 6.995 1.00 0.00 N ATOM 293 CA ALA A 21 84.868 2.069 6.233 1.00 0.00 C ATOM 294 C ALA A 21 83.374 1.868 6.484 1.00 0.00 C ATOM 295 O ALA A 21 82.886 0.746 6.569 1.00 0.00 O ATOM 296 CB ALA A 21 85.176 1.921 4.726 1.00 0.00 C ATOM 0 H ALA A 21 85.328 0.150 6.994 1.00 0.00 H new ATOM 0 HA ALA A 21 85.126 3.074 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.575 2.633 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.233 2.118 4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.937 0.907 4.404 1.00 0.00 H new ATOM 302 N LEU A 22 82.654 2.986 6.595 1.00 0.00 N ATOM 303 CA LEU A 22 81.216 2.952 6.832 1.00 0.00 C ATOM 304 C LEU A 22 80.504 3.975 5.948 1.00 0.00 C ATOM 305 O LEU A 22 80.909 5.136 5.870 1.00 0.00 O ATOM 306 CB LEU A 22 80.920 3.242 8.312 1.00 0.00 C ATOM 307 CG LEU A 22 81.701 2.258 9.222 1.00 0.00 C ATOM 308 CD1 LEU A 22 83.066 2.845 9.615 1.00 0.00 C ATOM 309 CD2 LEU A 22 80.899 1.993 10.501 1.00 0.00 C ATOM 0 H LEU A 22 83.047 3.925 6.524 1.00 0.00 H new ATOM 0 HA LEU A 22 80.846 1.958 6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.199 4.268 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.850 3.151 8.500 1.00 0.00 H new ATOM 0 HG LEU A 22 81.853 1.331 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.596 2.138 10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.653 3.034 8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.918 3.780 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.449 1.301 11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.742 2.931 11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 22 79.934 1.558 10.242 1.00 0.00 H new ATOM 321 N PHE A 23 79.438 3.533 5.280 1.00 0.00 N ATOM 322 CA PHE A 23 78.660 4.405 4.399 1.00 0.00 C ATOM 323 C PHE A 23 77.251 4.582 4.955 1.00 0.00 C ATOM 324 O PHE A 23 76.443 3.655 4.912 1.00 0.00 O ATOM 325 CB PHE A 23 78.584 3.778 3.001 1.00 0.00 C ATOM 326 CG PHE A 23 79.880 4.019 2.260 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.075 5.224 1.574 1.00 0.00 C ATOM 328 CD2 PHE A 23 80.885 3.045 2.261 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.271 5.452 0.885 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.080 3.276 1.573 1.00 0.00 C ATOM 331 CZ PHE A 23 82.274 4.478 0.886 1.00 0.00 C ATOM 0 H PHE A 23 79.093 2.575 5.332 1.00 0.00 H new ATOM 0 HA PHE A 23 79.145 5.379 4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.395 2.708 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.751 4.208 2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.302 5.978 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 23 80.738 2.116 2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.419 6.380 0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 23 82.855 2.524 1.572 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.198 4.654 0.356 1.00 0.00 H new ATOM 341 N GLU A 24 76.958 5.773 5.483 1.00 0.00 N ATOM 342 CA GLU A 24 75.635 6.038 6.054 1.00 0.00 C ATOM 343 C GLU A 24 74.753 6.759 5.057 1.00 0.00 C ATOM 344 O GLU A 24 74.911 7.956 4.820 1.00 0.00 O ATOM 345 CB GLU A 24 75.765 6.904 7.309 1.00 0.00 C ATOM 346 CG GLU A 24 76.419 6.097 8.426 1.00 0.00 C ATOM 347 CD GLU A 24 76.736 7.011 9.603 1.00 0.00 C ATOM 348 OE1 GLU A 24 76.286 8.147 9.584 1.00 0.00 O ATOM 349 OE2 GLU A 24 77.437 6.572 10.499 1.00 0.00 O1- ATOM 0 H GLU A 24 77.608 6.558 5.527 1.00 0.00 H new ATOM 0 HA GLU A 24 75.184 5.079 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.361 7.790 7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.782 7.251 7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.754 5.295 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.333 5.628 8.061 1.00 0.00 H new ATOM 356 N CYS A 25 73.810 6.015 4.488 1.00 0.00 N ATOM 357 CA CYS A 25 72.867 6.567 3.522 1.00 0.00 C ATOM 358 C CYS A 25 71.440 6.478 4.069 1.00 0.00 C ATOM 359 O CYS A 25 70.906 5.380 4.231 1.00 0.00 O ATOM 360 CB CYS A 25 72.960 5.781 2.212 1.00 0.00 C ATOM 361 SG CYS A 25 72.144 6.710 0.893 1.00 0.00 S ATOM 0 H CYS A 25 73.678 5.022 4.681 1.00 0.00 H new ATOM 0 HA CYS A 25 73.115 7.613 3.342 1.00 0.00 H new ATOM 0 HB2 CYS A 25 74.004 5.604 1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 25 72.491 4.804 2.327 1.00 0.00 H new ATOM 0 HG CYS A 25 71.767 7.868 1.347 1.00 0.00 H new ATOM 367 N GLN A 26 70.814 7.632 4.342 1.00 0.00 N ATOM 368 CA GLN A 26 69.438 7.638 4.854 1.00 0.00 C ATOM 369 C GLN A 26 68.473 7.546 3.685 1.00 0.00 C ATOM 370 O GLN A 26 68.548 8.336 2.743 1.00 0.00 O ATOM 371 CB GLN A 26 69.146 8.913 5.657 1.00 0.00 C ATOM 372 CG GLN A 26 70.011 8.930 6.924 1.00 0.00 C ATOM 373 CD GLN A 26 69.722 10.174 7.759 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.565 10.499 8.016 1.00 0.00 O ATOM 375 NE2 GLN A 26 70.722 10.889 8.201 1.00 0.00 N ATOM 0 H GLN A 26 71.229 8.556 4.220 1.00 0.00 H new ATOM 0 HA GLN A 26 69.314 6.783 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.355 9.794 5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 26 68.090 8.953 5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.815 8.036 7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 26 71.066 8.907 6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 26 71.680 10.614 7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 26 70.545 11.722 8.763 1.00 0.00 H new ATOM 384 N LEU A 27 67.584 6.556 3.736 1.00 0.00 N ATOM 385 CA LEU A 27 66.615 6.335 2.657 1.00 0.00 C ATOM 386 C LEU A 27 65.185 6.320 3.217 1.00 0.00 C ATOM 387 O LEU A 27 64.914 5.652 4.214 1.00 0.00 O ATOM 388 CB LEU A 27 66.950 4.997 1.978 1.00 0.00 C ATOM 389 CG LEU A 27 66.293 4.899 0.590 1.00 0.00 C ATOM 390 CD1 LEU A 27 66.923 3.727 -0.181 1.00 0.00 C ATOM 391 CD2 LEU A 27 64.770 4.695 0.715 1.00 0.00 C ATOM 0 H LEU A 27 67.512 5.894 4.509 1.00 0.00 H new ATOM 0 HA LEU A 27 66.673 7.143 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 27 68.031 4.896 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 27 66.609 4.173 2.604 1.00 0.00 H new ATOM 0 HG LEU A 27 66.463 5.830 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 27 66.463 3.650 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 27 67.994 3.899 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 27 66.760 2.800 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 27 64.329 4.629 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 27 64.570 3.774 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.333 5.538 1.250 1.00 0.00 H new ATOM 403 N SER A 28 64.271 7.059 2.575 1.00 0.00 N ATOM 404 CA SER A 28 62.876 7.112 3.029 1.00 0.00 C ATOM 405 C SER A 28 62.060 6.002 2.376 1.00 0.00 C ATOM 406 O SER A 28 61.605 6.147 1.259 1.00 0.00 O ATOM 407 CB SER A 28 62.259 8.467 2.669 1.00 0.00 C ATOM 408 OG SER A 28 63.178 9.502 2.989 1.00 0.00 O ATOM 0 H SER A 28 64.469 7.623 1.748 1.00 0.00 H new ATOM 0 HA SER A 28 62.862 6.978 4.111 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.015 8.498 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.327 8.611 3.215 1.00 0.00 H new ATOM 0 HG SER A 28 63.461 9.954 2.167 1.00 0.00 H new ATOM 414 N GLN A 29 61.865 4.911 3.099 1.00 0.00 N ATOM 415 CA GLN A 29 61.090 3.764 2.616 1.00 0.00 C ATOM 416 C GLN A 29 61.048 2.711 3.746 1.00 0.00 C ATOM 417 O GLN A 29 62.066 2.081 4.023 1.00 0.00 O ATOM 418 CB GLN A 29 61.752 3.160 1.352 1.00 0.00 C ATOM 419 CG GLN A 29 60.691 2.673 0.356 1.00 0.00 C ATOM 420 CD GLN A 29 59.627 1.849 1.066 1.00 0.00 C ATOM 421 OE1 GLN A 29 59.948 0.994 1.880 1.00 0.00 O ATOM 422 NE2 GLN A 29 58.369 2.062 0.801 1.00 0.00 N ATOM 0 H GLN A 29 62.238 4.789 4.041 1.00 0.00 H new ATOM 0 HA GLN A 29 60.081 4.078 2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 29 62.386 3.908 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.397 2.329 1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 29 60.228 3.528 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 29 61.163 2.074 -0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 29 58.105 2.776 0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 29 57.649 1.515 1.273 1.00 0.00 H new ATOM 431 N PRO A 30 59.931 2.528 4.426 1.00 0.00 N ATOM 432 CA PRO A 30 59.857 1.552 5.560 1.00 0.00 C ATOM 433 C PRO A 30 60.181 0.114 5.142 1.00 0.00 C ATOM 434 O PRO A 30 60.744 -0.655 5.921 1.00 0.00 O ATOM 435 CB PRO A 30 58.416 1.674 6.111 1.00 0.00 C ATOM 436 CG PRO A 30 57.703 2.726 5.291 1.00 0.00 C ATOM 437 CD PRO A 30 58.653 3.214 4.185 1.00 0.00 C ATOM 0 HA PRO A 30 60.608 1.785 6.315 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.897 0.718 6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.431 1.954 7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 30 56.794 2.313 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 30 57.401 3.560 5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 30 58.260 2.974 3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.776 4.296 4.224 1.00 0.00 H new ATOM 445 N GLU A 31 59.838 -0.233 3.908 1.00 0.00 N ATOM 446 CA GLU A 31 60.103 -1.569 3.371 1.00 0.00 C ATOM 447 C GLU A 31 61.179 -1.476 2.300 1.00 0.00 C ATOM 448 O GLU A 31 61.792 -0.428 2.141 1.00 0.00 O ATOM 449 CB GLU A 31 58.833 -2.176 2.774 1.00 0.00 C ATOM 450 CG GLU A 31 58.240 -1.225 1.739 1.00 0.00 C ATOM 451 CD GLU A 31 56.983 -1.847 1.147 1.00 0.00 C ATOM 452 OE1 GLU A 31 56.217 -2.420 1.904 1.00 0.00 O ATOM 453 OE2 GLU A 31 56.808 -1.750 -0.056 1.00 0.00 O1- ATOM 0 H GLU A 31 59.372 0.395 3.253 1.00 0.00 H new ATOM 0 HA GLU A 31 60.442 -2.212 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 31 59.061 -3.136 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.106 -2.368 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.002 -0.267 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 31 58.967 -1.027 0.952 1.00 0.00 H new ATOM 460 N VAL A 32 61.362 -2.568 1.559 1.00 0.00 N ATOM 461 CA VAL A 32 62.333 -2.641 0.462 1.00 0.00 C ATOM 462 C VAL A 32 62.622 -4.104 0.186 1.00 0.00 C ATOM 463 O VAL A 32 63.209 -4.793 1.020 1.00 0.00 O ATOM 464 CB VAL A 32 63.664 -1.944 0.817 1.00 0.00 C ATOM 465 CG1 VAL A 32 64.204 -2.508 2.150 1.00 0.00 C ATOM 466 CG2 VAL A 32 64.675 -2.201 -0.315 1.00 0.00 C ATOM 0 H VAL A 32 60.840 -3.432 1.701 1.00 0.00 H new ATOM 0 HA VAL A 32 61.907 -2.136 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 32 63.507 -0.871 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 32 65.144 -2.015 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 32 63.478 -2.327 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 32 64.372 -3.580 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 32 65.620 -1.713 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 32 64.837 -3.274 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 32 64.285 -1.798 -1.250 1.00 0.00 H new ATOM 476 N ALA A 33 62.192 -4.588 -0.969 1.00 0.00 N ATOM 477 CA ALA A 33 62.402 -5.993 -1.310 1.00 0.00 C ATOM 478 C ALA A 33 63.598 -6.183 -2.236 1.00 0.00 C ATOM 479 O ALA A 33 64.469 -7.006 -1.959 1.00 0.00 O ATOM 480 CB ALA A 33 61.163 -6.548 -2.000 1.00 0.00 C ATOM 0 H ALA A 33 61.703 -4.042 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 33 62.597 -6.525 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 33 61.326 -7.596 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 33 60.306 -6.464 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.969 -5.982 -2.911 1.00 0.00 H new ATOM 486 N ALA A 34 63.623 -5.446 -3.351 1.00 0.00 N ATOM 487 CA ALA A 34 64.713 -5.583 -4.329 1.00 0.00 C ATOM 488 C ALA A 34 65.538 -4.306 -4.443 1.00 0.00 C ATOM 489 O ALA A 34 65.001 -3.209 -4.590 1.00 0.00 O ATOM 490 CB ALA A 34 64.116 -5.896 -5.704 1.00 0.00 C ATOM 0 H ALA A 34 62.913 -4.757 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 34 65.366 -6.387 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.919 -5.999 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 34 63.551 -6.827 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.453 -5.085 -6.006 1.00 0.00 H new ATOM 496 N HIS A 35 66.858 -4.480 -4.402 1.00 0.00 N ATOM 497 CA HIS A 35 67.797 -3.368 -4.523 1.00 0.00 C ATOM 498 C HIS A 35 69.126 -3.902 -5.070 1.00 0.00 C ATOM 499 O HIS A 35 69.573 -4.983 -4.678 1.00 0.00 O ATOM 500 CB HIS A 35 67.994 -2.684 -3.155 1.00 0.00 C ATOM 501 CG HIS A 35 67.838 -3.699 -2.057 1.00 0.00 C ATOM 502 ND1 HIS A 35 66.606 -4.241 -1.733 1.00 0.00 N ATOM 503 CD2 HIS A 35 68.740 -4.271 -1.197 1.00 0.00 C ATOM 504 CE1 HIS A 35 66.795 -5.094 -0.713 1.00 0.00 C ATOM 505 NE2 HIS A 35 68.080 -5.153 -0.347 1.00 0.00 N ATOM 0 H HIS A 35 67.304 -5.390 -4.285 1.00 0.00 H new ATOM 0 HA HIS A 35 67.402 -2.620 -5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 35 68.982 -2.227 -3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 35 67.266 -1.883 -3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 35 69.801 -4.068 -1.182 1.00 0.00 H new ATOM 0 HE1 HIS A 35 66.005 -5.663 -0.245 1.00 0.00 H new ATOM 0 HE2 HIS A 35 68.488 -5.722 0.395 1.00 0.00 H new ATOM 513 N THR A 36 69.754 -3.156 -5.986 1.00 0.00 N ATOM 514 CA THR A 36 71.024 -3.595 -6.583 1.00 0.00 C ATOM 515 C THR A 36 72.180 -2.749 -6.085 1.00 0.00 C ATOM 516 O THR A 36 72.253 -1.552 -6.350 1.00 0.00 O ATOM 517 CB THR A 36 70.963 -3.497 -8.114 1.00 0.00 C ATOM 518 OG1 THR A 36 69.954 -4.362 -8.606 1.00 0.00 O ATOM 519 CG2 THR A 36 72.305 -3.925 -8.704 1.00 0.00 C ATOM 0 H THR A 36 69.411 -2.258 -6.327 1.00 0.00 H new ATOM 0 HA THR A 36 71.183 -4.632 -6.287 1.00 0.00 H new ATOM 0 HB THR A 36 70.740 -2.468 -8.398 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.915 -4.297 -9.583 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.263 -3.856 -9.791 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.092 -3.271 -8.329 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.519 -4.954 -8.414 1.00 0.00 H new ATOM 527 N TRP A 37 73.104 -3.400 -5.393 1.00 0.00 N ATOM 528 CA TRP A 37 74.294 -2.729 -4.876 1.00 0.00 C ATOM 529 C TRP A 37 75.516 -3.238 -5.632 1.00 0.00 C ATOM 530 O TRP A 37 75.809 -4.429 -5.592 1.00 0.00 O ATOM 531 CB TRP A 37 74.465 -3.048 -3.382 1.00 0.00 C ATOM 532 CG TRP A 37 73.641 -2.123 -2.538 1.00 0.00 C ATOM 533 CD1 TRP A 37 72.288 -2.065 -2.528 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.099 -1.144 -1.565 1.00 0.00 C ATOM 535 NE1 TRP A 37 71.890 -1.107 -1.615 1.00 0.00 N ATOM 536 CE2 TRP A 37 72.967 -0.513 -0.997 1.00 0.00 C ATOM 537 CE3 TRP A 37 75.372 -0.740 -1.126 1.00 0.00 C ATOM 538 CZ2 TRP A 37 73.091 0.473 -0.024 1.00 0.00 C ATOM 539 CZ3 TRP A 37 75.500 0.257 -0.145 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.362 0.863 0.402 1.00 0.00 C ATOM 0 H TRP A 37 73.055 -4.395 -5.175 1.00 0.00 H new ATOM 0 HA TRP A 37 74.188 -1.652 -5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 37 74.171 -4.080 -3.191 1.00 0.00 H new ATOM 0 HB3 TRP A 37 75.516 -2.960 -3.105 1.00 0.00 H new ATOM 0 HD1 TRP A 37 71.628 -2.668 -3.134 1.00 0.00 H new ATOM 0 HE1 TRP A 37 70.917 -0.869 -1.423 1.00 0.00 H new ATOM 0 HE3 TRP A 37 76.256 -1.198 -1.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 72.210 0.934 0.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 76.482 0.558 0.189 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.468 1.632 1.153 1.00 0.00 H new ATOM 551 N LEU A 38 76.231 -2.341 -6.308 1.00 0.00 N ATOM 552 CA LEU A 38 77.427 -2.740 -7.052 1.00 0.00 C ATOM 553 C LEU A 38 78.520 -1.679 -6.935 1.00 0.00 C ATOM 554 O LEU A 38 78.460 -0.633 -7.578 1.00 0.00 O ATOM 555 CB LEU A 38 77.084 -2.945 -8.531 1.00 0.00 C ATOM 556 CG LEU A 38 76.202 -4.198 -8.712 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.780 -4.309 -10.176 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.965 -5.474 -8.308 1.00 0.00 C ATOM 0 H LEU A 38 76.009 -1.347 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 38 77.792 -3.674 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.563 -2.068 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 38 78.000 -3.051 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 38 75.326 -4.100 -8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.156 -5.193 -10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.216 -3.421 -10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.666 -4.392 -10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 38 76.320 -6.342 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.853 -5.579 -8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 38 77.262 -5.404 -7.262 1.00 0.00 H new ATOM 570 N LEU A 39 79.540 -1.980 -6.138 1.00 0.00 N ATOM 571 CA LEU A 39 80.673 -1.086 -5.962 1.00 0.00 C ATOM 572 C LEU A 39 81.711 -1.619 -6.930 1.00 0.00 C ATOM 573 O LEU A 39 81.484 -1.581 -8.140 1.00 0.00 O ATOM 574 CB LEU A 39 81.163 -1.100 -4.481 1.00 0.00 C ATOM 575 CG LEU A 39 80.622 -2.326 -3.725 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.376 -3.573 -4.189 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.810 -2.126 -2.212 1.00 0.00 C ATOM 0 H LEU A 39 79.602 -2.845 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 39 80.438 -0.041 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.253 -1.106 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.838 -0.188 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 39 79.559 -2.449 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.998 -4.446 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.229 -3.709 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.439 -3.454 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.426 -2.996 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.870 -2.004 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.267 -1.236 -1.892 1.00 0.00 H new ATOM 589 N ASP A 40 82.795 -2.211 -6.442 1.00 0.00 N ATOM 590 CA ASP A 40 83.721 -2.831 -7.357 1.00 0.00 C ATOM 591 C ASP A 40 82.887 -3.848 -8.137 1.00 0.00 C ATOM 592 O ASP A 40 81.749 -4.111 -7.758 1.00 0.00 O ATOM 593 CB ASP A 40 84.875 -3.527 -6.619 1.00 0.00 C ATOM 594 CG ASP A 40 84.334 -4.616 -5.689 1.00 0.00 C ATOM 595 OD1 ASP A 40 83.151 -4.905 -5.769 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 85.110 -5.141 -4.904 1.00 0.00 O ATOM 0 H ASP A 40 83.042 -2.270 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 40 84.190 -2.092 -8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.564 -3.966 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.440 -2.795 -6.042 1.00 0.00 H new ATOM 601 N ASP A 41 83.390 -4.363 -9.228 1.00 0.00 N ATOM 602 CA ASP A 41 82.598 -5.285 -10.046 1.00 0.00 C ATOM 603 C ASP A 41 82.266 -6.601 -9.333 1.00 0.00 C ATOM 604 O ASP A 41 82.281 -7.662 -9.957 1.00 0.00 O ATOM 605 CB ASP A 41 83.347 -5.601 -11.348 1.00 0.00 C ATOM 606 CG ASP A 41 84.799 -5.980 -11.066 1.00 0.00 C ATOM 607 OD1 ASP A 41 85.236 -5.795 -9.943 1.00 0.00 O ATOM 608 OD2 ASP A 41 85.452 -6.447 -11.982 1.00 0.00 O1- ATOM 0 H ASP A 41 84.329 -4.173 -9.579 1.00 0.00 H new ATOM 0 HA ASP A 41 81.654 -4.779 -10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.849 -6.418 -11.869 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.315 -4.735 -12.009 1.00 0.00 H new ATOM 613 N GLU A 42 81.918 -6.541 -8.041 1.00 0.00 N ATOM 614 CA GLU A 42 81.544 -7.762 -7.306 1.00 0.00 C ATOM 615 C GLU A 42 80.299 -7.486 -6.448 1.00 0.00 C ATOM 616 O GLU A 42 80.197 -6.417 -5.850 1.00 0.00 O ATOM 617 CB GLU A 42 82.712 -8.219 -6.408 1.00 0.00 C ATOM 618 CG GLU A 42 83.651 -9.152 -7.188 1.00 0.00 C ATOM 619 CD GLU A 42 84.247 -8.425 -8.386 1.00 0.00 C ATOM 620 OE1 GLU A 42 84.573 -7.260 -8.242 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 84.365 -9.045 -9.430 1.00 0.00 O ATOM 0 H GLU A 42 81.887 -5.683 -7.491 1.00 0.00 H new ATOM 0 HA GLU A 42 81.320 -8.555 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.266 -7.351 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.324 -8.734 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 42 84.449 -9.504 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 42 83.103 -10.032 -7.524 1.00 0.00 H new ATOM 628 N PRO A 43 79.355 -8.410 -6.364 1.00 0.00 N ATOM 629 CA PRO A 43 78.132 -8.191 -5.542 1.00 0.00 C ATOM 630 C PRO A 43 78.514 -7.886 -4.093 1.00 0.00 C ATOM 631 O PRO A 43 79.511 -8.408 -3.595 1.00 0.00 O ATOM 632 CB PRO A 43 77.333 -9.514 -5.625 1.00 0.00 C ATOM 633 CG PRO A 43 78.120 -10.464 -6.495 1.00 0.00 C ATOM 634 CD PRO A 43 79.349 -9.721 -7.044 1.00 0.00 C ATOM 0 HA PRO A 43 77.547 -7.345 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.186 -9.936 -4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.343 -9.339 -6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.431 -11.336 -5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.500 -10.828 -7.315 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.266 -10.274 -6.838 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.284 -9.602 -8.126 1.00 0.00 H new ATOM 642 N VAL A 44 77.746 -7.011 -3.433 1.00 0.00 N ATOM 643 CA VAL A 44 78.058 -6.631 -2.051 1.00 0.00 C ATOM 644 C VAL A 44 77.427 -7.568 -1.044 1.00 0.00 C ATOM 645 O VAL A 44 76.365 -7.296 -0.494 1.00 0.00 O ATOM 646 CB VAL A 44 77.556 -5.216 -1.766 1.00 0.00 C ATOM 647 CG1 VAL A 44 78.230 -4.675 -0.494 1.00 0.00 C ATOM 648 CG2 VAL A 44 77.888 -4.322 -2.957 1.00 0.00 C ATOM 0 H VAL A 44 76.919 -6.560 -3.825 1.00 0.00 H new ATOM 0 HA VAL A 44 79.142 -6.685 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 44 76.477 -5.229 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 44 77.870 -3.666 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 44 77.987 -5.322 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 44 79.311 -4.654 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.533 -3.310 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 44 78.967 -4.305 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 44 77.401 -4.711 -3.851 1.00 0.00 H new ATOM 658 N ARG A 45 78.130 -8.643 -0.779 1.00 0.00 N ATOM 659 CA ARG A 45 77.719 -9.625 0.208 1.00 0.00 C ATOM 660 C ARG A 45 78.998 -10.180 0.803 1.00 0.00 C ATOM 661 O ARG A 45 79.553 -9.612 1.729 1.00 0.00 O ATOM 662 CB ARG A 45 76.884 -10.752 -0.422 1.00 0.00 C ATOM 663 CG ARG A 45 75.497 -10.245 -0.871 1.00 0.00 C ATOM 664 CD ARG A 45 74.567 -10.090 0.342 1.00 0.00 C ATOM 665 NE ARG A 45 73.195 -9.833 -0.100 1.00 0.00 N ATOM 666 CZ ARG A 45 72.361 -9.053 0.599 1.00 0.00 C ATOM 667 NH1 ARG A 45 72.790 -7.953 1.156 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 71.112 -9.398 0.744 1.00 0.00 N ATOM 0 H ARG A 45 79.010 -8.867 -1.243 1.00 0.00 H new ATOM 0 HA ARG A 45 77.084 -9.166 0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 45 77.416 -11.165 -1.279 1.00 0.00 H new ATOM 0 HB3 ARG A 45 76.761 -11.561 0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 45 75.600 -9.288 -1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 45 75.061 -10.943 -1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.597 -10.994 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.913 -9.271 0.972 1.00 0.00 H new ATOM 0 HE ARG A 45 72.865 -10.260 -0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 45 73.768 -7.681 1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 45 72.147 -7.365 1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 45 70.770 -10.263 0.325 1.00 0.00 H new ATOM 0 HH22 ARG A 45 70.477 -8.803 1.277 1.00 0.00 H new ATOM 682 N THR A 46 79.483 -11.262 0.218 1.00 0.00 N ATOM 683 CA THR A 46 80.736 -11.866 0.649 1.00 0.00 C ATOM 684 C THR A 46 80.679 -12.282 2.120 1.00 0.00 C ATOM 685 O THR A 46 79.804 -13.057 2.505 1.00 0.00 O ATOM 686 CB THR A 46 81.890 -10.883 0.401 1.00 0.00 C ATOM 687 OG1 THR A 46 81.986 -9.967 1.480 1.00 0.00 O ATOM 688 CG2 THR A 46 81.626 -10.104 -0.889 1.00 0.00 C ATOM 0 H THR A 46 79.028 -11.742 -0.558 1.00 0.00 H new ATOM 0 HA THR A 46 80.905 -12.771 0.066 1.00 0.00 H new ATOM 0 HB THR A 46 82.821 -11.443 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.087 -9.731 1.790 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.444 -9.406 -1.066 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.554 -10.799 -1.726 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.691 -9.551 -0.795 1.00 0.00 H new ATOM 696 N SER A 47 81.632 -11.805 2.939 1.00 0.00 N ATOM 697 CA SER A 47 81.688 -12.188 4.360 1.00 0.00 C ATOM 698 C SER A 47 82.135 -11.018 5.253 1.00 0.00 C ATOM 699 O SER A 47 81.761 -9.877 5.036 1.00 0.00 O ATOM 700 CB SER A 47 82.674 -13.345 4.518 1.00 0.00 C ATOM 701 OG SER A 47 82.369 -14.068 5.701 1.00 0.00 O ATOM 0 H SER A 47 82.366 -11.161 2.646 1.00 0.00 H new ATOM 0 HA SER A 47 80.686 -12.482 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.619 -14.004 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.694 -12.964 4.565 1.00 0.00 H new ATOM 0 HG SER A 47 83.136 -14.037 6.310 1.00 0.00 H new ATOM 707 N GLU A 48 82.917 -11.314 6.282 1.00 0.00 N ATOM 708 CA GLU A 48 83.366 -10.266 7.189 1.00 0.00 C ATOM 709 C GLU A 48 84.015 -9.118 6.417 1.00 0.00 C ATOM 710 O GLU A 48 83.739 -7.949 6.687 1.00 0.00 O ATOM 711 CB GLU A 48 84.374 -10.830 8.191 1.00 0.00 C ATOM 712 CG GLU A 48 83.677 -11.753 9.202 1.00 0.00 C ATOM 713 CD GLU A 48 83.470 -13.143 8.602 1.00 0.00 C ATOM 714 OE1 GLU A 48 83.774 -13.317 7.437 1.00 0.00 O ATOM 715 OE2 GLU A 48 83.008 -14.014 9.322 1.00 0.00 O1- ATOM 0 H GLU A 48 83.249 -12.252 6.507 1.00 0.00 H new ATOM 0 HA GLU A 48 82.493 -9.887 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 48 85.150 -11.383 7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.867 -10.013 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 48 84.277 -11.827 10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 48 82.716 -11.327 9.489 1.00 0.00 H new ATOM 722 N ASN A 49 84.898 -9.457 5.481 1.00 0.00 N ATOM 723 CA ASN A 49 85.605 -8.433 4.703 1.00 0.00 C ATOM 724 C ASN A 49 84.639 -7.555 3.911 1.00 0.00 C ATOM 725 O ASN A 49 85.065 -6.621 3.236 1.00 0.00 O ATOM 726 CB ASN A 49 86.629 -9.075 3.749 1.00 0.00 C ATOM 727 CG ASN A 49 87.233 -8.027 2.807 1.00 0.00 C ATOM 728 OD1 ASN A 49 86.721 -7.813 1.706 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.300 -7.367 3.167 1.00 0.00 N ATOM 0 H ASN A 49 85.142 -10.418 5.242 1.00 0.00 H new ATOM 0 HA ASN A 49 86.132 -7.800 5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.422 -9.550 4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 49 86.146 -9.859 3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 49 88.709 -6.676 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.725 -7.542 4.077 1.00 0.00 H new ATOM 736 N ALA A 50 83.345 -7.841 3.997 1.00 0.00 N ATOM 737 CA ALA A 50 82.354 -7.043 3.273 1.00 0.00 C ATOM 738 C ALA A 50 80.958 -7.627 3.507 1.00 0.00 C ATOM 739 O ALA A 50 80.776 -8.829 3.394 1.00 0.00 O ATOM 740 CB ALA A 50 82.709 -7.045 1.775 1.00 0.00 C ATOM 0 H ALA A 50 82.959 -8.606 4.550 1.00 0.00 H new ATOM 0 HA ALA A 50 82.359 -6.015 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 50 81.976 -6.453 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 50 83.701 -6.615 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 50 82.702 -8.069 1.401 1.00 0.00 H new ATOM 746 N GLU A 51 79.972 -6.776 3.816 1.00 0.00 N ATOM 747 CA GLU A 51 78.599 -7.259 4.051 1.00 0.00 C ATOM 748 C GLU A 51 77.648 -6.087 4.264 1.00 0.00 C ATOM 749 O GLU A 51 77.982 -5.137 4.979 1.00 0.00 O ATOM 750 CB GLU A 51 78.562 -8.168 5.296 1.00 0.00 C ATOM 751 CG GLU A 51 77.146 -8.719 5.502 1.00 0.00 C ATOM 752 CD GLU A 51 77.124 -9.694 6.681 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.119 -9.765 7.387 1.00 0.00 O ATOM 754 OE2 GLU A 51 76.112 -10.354 6.863 1.00 0.00 O1- ATOM 0 H GLU A 51 80.091 -5.767 3.909 1.00 0.00 H new ATOM 0 HA GLU A 51 78.283 -7.824 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.267 -8.991 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.874 -7.606 6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.452 -7.899 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.809 -9.224 4.597 1.00 0.00 H new ATOM 761 N VAL A 52 76.462 -6.140 3.640 1.00 0.00 N ATOM 762 CA VAL A 52 75.473 -5.073 3.771 1.00 0.00 C ATOM 763 C VAL A 52 74.603 -5.325 4.991 1.00 0.00 C ATOM 764 O VAL A 52 74.223 -6.458 5.281 1.00 0.00 O ATOM 765 CB VAL A 52 74.576 -5.033 2.523 1.00 0.00 C ATOM 766 CG1 VAL A 52 73.767 -3.735 2.486 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.436 -5.123 1.261 1.00 0.00 C ATOM 0 H VAL A 52 76.169 -6.912 3.041 1.00 0.00 H new ATOM 0 HA VAL A 52 75.996 -4.123 3.879 1.00 0.00 H new ATOM 0 HB VAL A 52 73.892 -5.880 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.138 -3.724 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.139 -3.672 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.447 -2.883 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.794 -5.094 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.129 -4.282 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 52 75.998 -6.057 1.270 1.00 0.00 H new ATOM 777 N VAL A 53 74.297 -4.262 5.703 1.00 0.00 N ATOM 778 CA VAL A 53 73.474 -4.354 6.896 1.00 0.00 C ATOM 779 C VAL A 53 72.626 -3.097 7.014 1.00 0.00 C ATOM 780 O VAL A 53 73.072 -2.021 6.636 1.00 0.00 O ATOM 781 CB VAL A 53 74.387 -4.521 8.117 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.515 -3.494 8.046 1.00 0.00 C ATOM 783 CG2 VAL A 53 73.591 -4.306 9.408 1.00 0.00 C ATOM 0 H VAL A 53 74.607 -3.317 5.477 1.00 0.00 H new ATOM 0 HA VAL A 53 72.808 -5.215 6.838 1.00 0.00 H new ATOM 0 HB VAL A 53 74.799 -5.530 8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 53 76.167 -3.609 8.912 1.00 0.00 H new ATOM 0 HG12 VAL A 53 76.092 -3.650 7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.092 -2.489 8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 53 74.251 -4.427 10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 53 73.170 -3.300 9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 53 72.784 -5.037 9.464 1.00 0.00 H new ATOM 793 N PHE A 54 71.413 -3.230 7.553 1.00 0.00 N ATOM 794 CA PHE A 54 70.521 -2.077 7.729 1.00 0.00 C ATOM 795 C PHE A 54 69.867 -2.123 9.100 1.00 0.00 C ATOM 796 O PHE A 54 70.168 -3.000 9.908 1.00 0.00 O ATOM 797 CB PHE A 54 69.444 -2.042 6.638 1.00 0.00 C ATOM 798 CG PHE A 54 68.621 -3.311 6.667 1.00 0.00 C ATOM 799 CD1 PHE A 54 69.027 -4.412 5.909 1.00 0.00 C ATOM 800 CD2 PHE A 54 67.442 -3.379 7.427 1.00 0.00 C ATOM 801 CE1 PHE A 54 68.262 -5.585 5.909 1.00 0.00 C ATOM 802 CE2 PHE A 54 66.679 -4.558 7.431 1.00 0.00 C ATOM 803 CZ PHE A 54 67.090 -5.657 6.670 1.00 0.00 C ATOM 0 H PHE A 54 71.025 -4.117 7.874 1.00 0.00 H new ATOM 0 HA PHE A 54 71.121 -1.171 7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.796 -1.178 6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 54 69.912 -1.927 5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 54 69.932 -4.358 5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 54 67.123 -2.526 8.007 1.00 0.00 H new ATOM 0 HE1 PHE A 54 68.577 -6.435 5.321 1.00 0.00 H new ATOM 0 HE2 PHE A 54 65.776 -4.616 8.021 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.502 -6.563 6.670 1.00 0.00 H new ATOM 813 N PHE A 55 68.963 -1.181 9.356 1.00 0.00 N ATOM 814 CA PHE A 55 68.267 -1.130 10.636 1.00 0.00 C ATOM 815 C PHE A 55 66.951 -0.363 10.498 1.00 0.00 C ATOM 816 O PHE A 55 66.719 0.313 9.495 1.00 0.00 O ATOM 817 CB PHE A 55 69.138 -0.431 11.684 1.00 0.00 C ATOM 818 CG PHE A 55 70.485 -1.110 11.774 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.667 -2.200 12.631 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.555 -0.643 11.003 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.919 -2.825 12.715 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.804 -1.269 11.087 1.00 0.00 C ATOM 823 CZ PHE A 55 72.986 -2.359 11.942 1.00 0.00 C ATOM 0 H PHE A 55 68.697 -0.448 8.698 1.00 0.00 H new ATOM 0 HA PHE A 55 68.061 -2.153 10.951 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.268 0.618 11.419 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.643 -0.456 12.655 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.843 -2.560 13.228 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.417 0.201 10.343 1.00 0.00 H new ATOM 0 HE1 PHE A 55 72.059 -3.667 13.377 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.629 -0.909 10.490 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.950 -2.841 12.005 1.00 0.00 H new ATOM 833 N GLU A 56 66.105 -0.459 11.520 1.00 0.00 N ATOM 834 CA GLU A 56 64.823 0.246 11.518 1.00 0.00 C ATOM 835 C GLU A 56 63.986 -0.146 10.301 1.00 0.00 C ATOM 836 O GLU A 56 63.276 0.673 9.715 1.00 0.00 O ATOM 837 CB GLU A 56 65.060 1.762 11.560 1.00 0.00 C ATOM 838 CG GLU A 56 65.617 2.171 12.935 1.00 0.00 C ATOM 839 CD GLU A 56 64.565 1.985 14.027 1.00 0.00 C ATOM 840 OE1 GLU A 56 63.392 2.084 13.717 1.00 0.00 O1- ATOM 841 OE2 GLU A 56 64.954 1.759 15.162 1.00 0.00 O ATOM 0 H GLU A 56 66.281 -1.015 12.357 1.00 0.00 H new ATOM 0 HA GLU A 56 64.263 -0.043 12.408 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.759 2.051 10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.126 2.290 11.365 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.498 1.573 13.168 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.937 3.212 12.907 1.00 0.00 H new ATOM 848 N ASN A 57 64.095 -1.420 9.947 1.00 0.00 N ATOM 849 CA ASN A 57 63.370 -2.000 8.820 1.00 0.00 C ATOM 850 C ASN A 57 63.761 -1.334 7.501 1.00 0.00 C ATOM 851 O ASN A 57 62.959 -1.274 6.568 1.00 0.00 O ATOM 852 CB ASN A 57 61.858 -1.874 9.032 1.00 0.00 C ATOM 853 CG ASN A 57 61.418 -2.746 10.207 1.00 0.00 C ATOM 854 OD1 ASN A 57 62.167 -3.615 10.651 1.00 0.00 O ATOM 855 ND2 ASN A 57 60.240 -2.563 10.742 1.00 0.00 N ATOM 0 H ASN A 57 64.693 -2.086 10.436 1.00 0.00 H new ATOM 0 HA ASN A 57 63.640 -3.055 8.766 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.595 -0.834 9.223 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.330 -2.175 8.127 1.00 0.00 H new ATOM 0 HD21 ASN A 57 59.941 -3.141 11.528 1.00 0.00 H new ATOM 0 HD22 ASN A 57 59.619 -1.842 10.374 1.00 0.00 H new ATOM 862 N GLY A 58 65.021 -0.893 7.415 1.00 0.00 N ATOM 863 CA GLY A 58 65.552 -0.286 6.182 1.00 0.00 C ATOM 864 C GLY A 58 65.584 1.250 6.196 1.00 0.00 C ATOM 865 O GLY A 58 65.997 1.862 5.212 1.00 0.00 O ATOM 0 H GLY A 58 65.693 -0.943 8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.563 -0.657 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 58 64.947 -0.617 5.338 1.00 0.00 H new ATOM 869 N LEU A 59 65.158 1.877 7.287 1.00 0.00 N ATOM 870 CA LEU A 59 65.165 3.347 7.342 1.00 0.00 C ATOM 871 C LEU A 59 66.585 3.874 7.151 1.00 0.00 C ATOM 872 O LEU A 59 66.788 5.024 6.766 1.00 0.00 O ATOM 873 CB LEU A 59 64.597 3.847 8.681 1.00 0.00 C ATOM 874 CG LEU A 59 64.097 5.300 8.541 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.878 5.371 7.594 1.00 0.00 C ATOM 876 CD2 LEU A 59 63.715 5.833 9.928 1.00 0.00 C ATOM 0 H LEU A 59 64.811 1.413 8.127 1.00 0.00 H new ATOM 0 HA LEU A 59 64.533 3.721 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.778 3.202 9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.365 3.792 9.453 1.00 0.00 H new ATOM 0 HG LEU A 59 64.893 5.911 8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.542 6.405 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 59 63.161 5.000 6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.070 4.758 7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.360 6.860 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.926 5.212 10.352 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.587 5.806 10.581 1.00 0.00 H new ATOM 888 N ARG A 60 67.561 3.007 7.401 1.00 0.00 N ATOM 889 CA ARG A 60 68.973 3.357 7.246 1.00 0.00 C ATOM 890 C ARG A 60 69.727 2.226 6.547 1.00 0.00 C ATOM 891 O ARG A 60 69.381 1.058 6.709 1.00 0.00 O ATOM 892 CB ARG A 60 69.580 3.605 8.623 1.00 0.00 C ATOM 893 CG ARG A 60 69.051 4.927 9.194 1.00 0.00 C ATOM 894 CD ARG A 60 69.595 5.126 10.609 1.00 0.00 C ATOM 895 NE ARG A 60 71.054 5.164 10.593 1.00 0.00 N ATOM 896 CZ ARG A 60 71.716 6.298 10.394 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.062 7.416 10.227 1.00 0.00 N ATOM 898 NH2 ARG A 60 73.021 6.287 10.351 1.00 0.00 N1+ ATOM 0 H ARG A 60 67.400 2.050 7.714 1.00 0.00 H new ATOM 0 HA ARG A 60 69.054 4.258 6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 60 69.331 2.783 9.294 1.00 0.00 H new ATOM 0 HB3 ARG A 60 70.667 3.639 8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 60 69.354 5.758 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.961 4.918 9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 60 69.205 6.054 11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 60 69.253 4.317 11.254 1.00 0.00 H new ATOM 0 HE ARG A 60 71.577 4.300 10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 60 70.042 7.419 10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.571 8.287 10.074 1.00 0.00 H new ATOM 0 HH21 ARG A 60 73.528 5.410 10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 60 73.534 7.156 10.198 1.00 0.00 H new ATOM 912 N HIS A 61 70.761 2.581 5.767 1.00 0.00 N ATOM 913 CA HIS A 61 71.572 1.584 5.045 1.00 0.00 C ATOM 914 C HIS A 61 73.058 1.795 5.314 1.00 0.00 C ATOM 915 O HIS A 61 73.666 2.742 4.811 1.00 0.00 O ATOM 916 CB HIS A 61 71.308 1.676 3.536 1.00 0.00 C ATOM 917 CG HIS A 61 69.910 1.201 3.259 1.00 0.00 C ATOM 918 ND1 HIS A 61 68.833 2.067 3.220 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.394 -0.053 3.043 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.730 1.332 2.995 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.015 0.032 2.879 1.00 0.00 N ATOM 0 H HIS A 61 71.055 3.547 5.620 1.00 0.00 H new ATOM 0 HA HIS A 61 71.287 0.595 5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.432 2.703 3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.029 1.068 2.989 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.970 -0.966 3.006 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.734 1.743 2.917 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.363 -0.733 2.707 1.00 0.00 H new ATOM 929 N LEU A 62 73.637 0.892 6.106 1.00 0.00 N ATOM 930 CA LEU A 62 75.060 0.961 6.448 1.00 0.00 C ATOM 931 C LEU A 62 75.798 -0.222 5.838 1.00 0.00 C ATOM 932 O LEU A 62 75.453 -1.375 6.074 1.00 0.00 O ATOM 933 CB LEU A 62 75.214 0.945 7.976 1.00 0.00 C ATOM 934 CG LEU A 62 76.669 1.267 8.403 1.00 0.00 C ATOM 935 CD1 LEU A 62 76.658 1.764 9.858 1.00 0.00 C ATOM 936 CD2 LEU A 62 77.578 0.020 8.289 1.00 0.00 C ATOM 0 H LEU A 62 73.143 0.103 6.523 1.00 0.00 H new ATOM 0 HA LEU A 62 75.486 1.882 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.534 1.673 8.419 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.929 -0.034 8.361 1.00 0.00 H new ATOM 0 HG LEU A 62 77.067 2.034 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.676 1.994 10.172 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.044 2.662 9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.246 0.989 10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.591 0.279 8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 62 77.194 -0.770 8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 62 77.589 -0.329 7.256 1.00 0.00 H new ATOM 948 N LEU A 63 76.823 0.084 5.051 1.00 0.00 N ATOM 949 CA LEU A 63 77.639 -0.949 4.399 1.00 0.00 C ATOM 950 C LEU A 63 79.039 -0.933 4.998 1.00 0.00 C ATOM 951 O LEU A 63 79.761 0.051 4.842 1.00 0.00 O ATOM 952 CB LEU A 63 77.709 -0.652 2.889 1.00 0.00 C ATOM 953 CG LEU A 63 78.858 -1.433 2.225 1.00 0.00 C ATOM 954 CD1 LEU A 63 78.751 -2.920 2.576 1.00 0.00 C ATOM 955 CD2 LEU A 63 78.779 -1.260 0.705 1.00 0.00 C ATOM 0 H LEU A 63 77.114 1.040 4.845 1.00 0.00 H new ATOM 0 HA LEU A 63 77.195 -1.932 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.763 -0.919 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 63 77.853 0.417 2.731 1.00 0.00 H new ATOM 0 HG LEU A 63 79.810 -1.048 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.567 -3.465 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.811 -3.044 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.798 -3.311 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.592 -1.812 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 63 77.824 -1.642 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 63 78.865 -0.203 0.454 1.00 0.00 H new ATOM 967 N LEU A 64 79.433 -1.996 5.705 1.00 0.00 N ATOM 968 CA LEU A 64 80.757 -2.020 6.330 1.00 0.00 C ATOM 969 C LEU A 64 81.802 -2.756 5.483 1.00 0.00 C ATOM 970 O LEU A 64 81.539 -3.799 4.881 1.00 0.00 O ATOM 971 CB LEU A 64 80.653 -2.680 7.723 1.00 0.00 C ATOM 972 CG LEU A 64 80.595 -4.228 7.600 1.00 0.00 C ATOM 973 CD1 LEU A 64 81.998 -4.841 7.802 1.00 0.00 C ATOM 974 CD2 LEU A 64 79.632 -4.813 8.648 1.00 0.00 C ATOM 0 H LEU A 64 78.869 -2.832 5.857 1.00 0.00 H new ATOM 0 HA LEU A 64 81.093 -0.987 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 64 81.510 -2.391 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 64 79.762 -2.318 8.236 1.00 0.00 H new ATOM 0 HG LEU A 64 80.236 -4.474 6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 64 81.938 -5.926 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 64 82.678 -4.452 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 64 82.370 -4.579 8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 64 79.602 -5.898 8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 64 79.978 -4.549 9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 64 78.633 -4.407 8.491 1.00 0.00 H new ATOM 986 N LEU A 65 83.005 -2.194 5.499 1.00 0.00 N ATOM 987 CA LEU A 65 84.169 -2.742 4.808 1.00 0.00 C ATOM 988 C LEU A 65 85.215 -3.068 5.883 1.00 0.00 C ATOM 989 O LEU A 65 85.090 -2.595 7.015 1.00 0.00 O ATOM 990 CB LEU A 65 84.740 -1.714 3.814 1.00 0.00 C ATOM 991 CG LEU A 65 84.016 -1.781 2.447 1.00 0.00 C ATOM 992 CD1 LEU A 65 84.426 -3.043 1.667 1.00 0.00 C ATOM 993 CD2 LEU A 65 82.495 -1.775 2.639 1.00 0.00 C ATOM 0 H LEU A 65 83.204 -1.329 6.001 1.00 0.00 H new ATOM 0 HA LEU A 65 83.895 -3.632 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.642 -0.711 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.805 -1.897 3.672 1.00 0.00 H new ATOM 0 HG LEU A 65 84.310 -0.901 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.903 -3.066 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 85.502 -3.029 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 65 84.164 -3.929 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.005 -1.823 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 82.200 -2.638 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.197 -0.860 3.151 1.00 0.00 H new ATOM 1005 N LYS A 66 86.277 -3.792 5.529 1.00 0.00 N ATOM 1006 CA LYS A 66 87.345 -4.091 6.491 1.00 0.00 C ATOM 1007 C LYS A 66 88.631 -4.423 5.739 1.00 0.00 C ATOM 1008 O LYS A 66 88.637 -4.487 4.509 1.00 0.00 O ATOM 1009 CB LYS A 66 86.980 -5.268 7.426 1.00 0.00 C ATOM 1010 CG LYS A 66 85.999 -4.812 8.525 1.00 0.00 C ATOM 1011 CD LYS A 66 85.910 -5.871 9.640 1.00 0.00 C ATOM 1012 CE LYS A 66 85.095 -7.081 9.180 1.00 0.00 C ATOM 1013 NZ LYS A 66 84.898 -7.998 10.345 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.423 -4.179 4.597 1.00 0.00 H new ATOM 0 HA LYS A 66 87.483 -3.206 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.533 -6.074 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 66 87.885 -5.669 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.329 -3.861 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.012 -4.645 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 66 86.913 -6.190 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 66 85.451 -5.434 10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 66 84.131 -6.759 8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 66 85.612 -7.601 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.071 -8.605 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 85.744 -8.591 10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 84.742 -7.436 11.206 1.00 0.00 H new ATOM 1027 N ASN A 67 89.710 -4.654 6.486 1.00 0.00 N ATOM 1028 CA ASN A 67 91.001 -5.006 5.880 1.00 0.00 C ATOM 1029 C ASN A 67 91.238 -4.192 4.612 1.00 0.00 C ATOM 1030 O ASN A 67 91.497 -4.744 3.541 1.00 0.00 O ATOM 1031 CB ASN A 67 91.026 -6.495 5.540 1.00 0.00 C ATOM 1032 CG ASN A 67 90.954 -7.333 6.813 1.00 0.00 C ATOM 1033 OD1 ASN A 67 91.483 -6.939 7.855 1.00 0.00 O ATOM 1034 ND2 ASN A 67 90.339 -8.484 6.781 1.00 0.00 N ATOM 0 H ASN A 67 89.720 -4.605 7.505 1.00 0.00 H new ATOM 0 HA ASN A 67 91.791 -4.781 6.596 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.187 -6.740 4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.937 -6.734 4.991 1.00 0.00 H new ATOM 0 HD21 ASN A 67 90.294 -9.062 7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 67 89.903 -8.805 5.917 1.00 0.00 H new ATOM 1041 N LEU A 68 91.107 -2.883 4.742 1.00 0.00 N ATOM 1042 CA LEU A 68 91.258 -1.985 3.604 1.00 0.00 C ATOM 1043 C LEU A 68 92.641 -2.096 2.959 1.00 0.00 C ATOM 1044 O LEU A 68 93.641 -2.349 3.627 1.00 0.00 O ATOM 1045 CB LEU A 68 91.029 -0.548 4.051 1.00 0.00 C ATOM 1046 CG LEU A 68 89.690 -0.421 4.785 1.00 0.00 C ATOM 1047 CD1 LEU A 68 89.480 1.047 5.161 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.538 -0.892 3.875 1.00 0.00 C ATOM 0 H LEU A 68 90.896 -2.416 5.624 1.00 0.00 H new ATOM 0 HA LEU A 68 90.517 -2.276 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.841 -0.231 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 68 91.040 0.114 3.185 1.00 0.00 H new ATOM 0 HG LEU A 68 89.702 -1.042 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 68 88.530 1.156 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 68 90.292 1.376 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 68 89.468 1.656 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.592 -0.797 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.511 -0.278 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.696 -1.934 3.598 1.00 0.00 H new ATOM 1060 N ARG A 69 92.672 -1.894 1.641 1.00 0.00 N ATOM 1061 CA ARG A 69 93.910 -1.951 0.855 1.00 0.00 C ATOM 1062 C ARG A 69 93.879 -0.814 -0.173 1.00 0.00 C ATOM 1063 O ARG A 69 92.799 -0.423 -0.611 1.00 0.00 O ATOM 1064 CB ARG A 69 93.994 -3.295 0.102 1.00 0.00 C ATOM 1065 CG ARG A 69 94.026 -4.484 1.072 1.00 0.00 C ATOM 1066 CD ARG A 69 95.441 -4.687 1.626 1.00 0.00 C ATOM 1067 NE ARG A 69 96.389 -4.928 0.542 1.00 0.00 N ATOM 1068 CZ ARG A 69 97.685 -5.125 0.787 1.00 0.00 C ATOM 1069 NH1 ARG A 69 98.096 -5.403 1.996 1.00 0.00 N ATOM 1070 NH2 ARG A 69 98.548 -5.040 -0.183 1.00 0.00 N1+ ATOM 0 H ARG A 69 91.841 -1.686 1.087 1.00 0.00 H new ATOM 0 HA ARG A 69 94.770 -1.855 1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.138 -3.393 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.888 -3.309 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.329 -4.311 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.697 -5.388 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.745 -3.807 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.449 -5.530 2.317 1.00 0.00 H new ATOM 0 HE ARG A 69 96.054 -4.946 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 69 97.424 -5.471 2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 69 99.089 -5.552 2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 69 98.233 -4.823 -1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 69 99.540 -5.190 0.002 1.00 0.00 H new ATOM 1084 N PRO A 70 95.001 -0.279 -0.590 1.00 0.00 N ATOM 1085 CA PRO A 70 94.984 0.813 -1.599 1.00 0.00 C ATOM 1086 C PRO A 70 94.203 0.353 -2.832 1.00 0.00 C ATOM 1087 O PRO A 70 93.435 1.112 -3.421 1.00 0.00 O ATOM 1088 CB PRO A 70 96.472 1.087 -1.933 1.00 0.00 C ATOM 1089 CG PRO A 70 97.297 0.121 -1.110 1.00 0.00 C ATOM 1090 CD PRO A 70 96.356 -0.641 -0.157 1.00 0.00 C ATOM 0 HA PRO A 70 94.497 1.719 -1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.661 0.945 -2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.736 2.118 -1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.823 -0.577 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 70 98.055 0.660 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.516 -1.717 -0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.528 -0.354 0.880 1.00 0.00 H new ATOM 1098 N GLN A 71 94.431 -0.898 -3.217 1.00 0.00 N ATOM 1099 CA GLN A 71 93.771 -1.462 -4.387 1.00 0.00 C ATOM 1100 C GLN A 71 92.254 -1.401 -4.255 1.00 0.00 C ATOM 1101 O GLN A 71 91.564 -0.921 -5.156 1.00 0.00 O ATOM 1102 CB GLN A 71 94.213 -2.917 -4.565 1.00 0.00 C ATOM 1103 CG GLN A 71 93.423 -3.585 -5.699 1.00 0.00 C ATOM 1104 CD GLN A 71 93.590 -2.794 -6.985 1.00 0.00 C ATOM 1105 OE1 GLN A 71 92.998 -1.726 -7.148 1.00 0.00 O ATOM 1106 NE2 GLN A 71 94.370 -3.262 -7.916 1.00 0.00 N ATOM 0 H GLN A 71 95.065 -1.538 -2.738 1.00 0.00 H new ATOM 0 HA GLN A 71 94.057 -0.873 -5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 71 95.280 -2.955 -4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 71 94.061 -3.466 -3.636 1.00 0.00 H new ATOM 0 HG2 GLN A 71 93.772 -4.607 -5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 71 92.368 -3.643 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 71 94.858 -4.147 -7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 71 94.494 -2.744 -8.786 1.00 0.00 H new ATOM 1115 N ASP A 72 91.735 -1.928 -3.160 1.00 0.00 N ATOM 1116 CA ASP A 72 90.302 -1.969 -2.954 1.00 0.00 C ATOM 1117 C ASP A 72 89.630 -0.634 -3.240 1.00 0.00 C ATOM 1118 O ASP A 72 88.513 -0.608 -3.759 1.00 0.00 O ATOM 1119 CB ASP A 72 90.014 -2.375 -1.517 1.00 0.00 C ATOM 1120 CG ASP A 72 88.533 -2.679 -1.370 1.00 0.00 C ATOM 1121 OD1 ASP A 72 88.088 -3.645 -1.962 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 87.863 -1.938 -0.671 1.00 0.00 O ATOM 0 H ASP A 72 92.285 -2.332 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 72 89.893 -2.697 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.605 -3.250 -1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 72 90.302 -1.574 -0.836 1.00 0.00 H new ATOM 1127 N SER A 73 90.272 0.479 -2.906 1.00 0.00 N ATOM 1128 CA SER A 73 89.645 1.765 -3.155 1.00 0.00 C ATOM 1129 C SER A 73 89.223 1.869 -4.606 1.00 0.00 C ATOM 1130 O SER A 73 89.955 1.470 -5.513 1.00 0.00 O ATOM 1131 CB SER A 73 90.603 2.906 -2.815 1.00 0.00 C ATOM 1132 OG SER A 73 90.671 3.047 -1.404 1.00 0.00 O ATOM 0 H SER A 73 91.196 0.517 -2.476 1.00 0.00 H new ATOM 0 HA SER A 73 88.764 1.844 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.593 2.700 -3.221 1.00 0.00 H new ATOM 0 HB3 SER A 73 90.259 3.835 -3.270 1.00 0.00 H new ATOM 0 HG SER A 73 90.519 2.176 -0.981 1.00 0.00 H new ATOM 1138 N CYS A 74 88.022 2.402 -4.796 1.00 0.00 N ATOM 1139 CA CYS A 74 87.452 2.562 -6.124 1.00 0.00 C ATOM 1140 C CYS A 74 86.104 3.286 -6.043 1.00 0.00 C ATOM 1141 O CYS A 74 85.874 4.106 -5.151 1.00 0.00 O ATOM 1142 CB CYS A 74 87.252 1.186 -6.772 1.00 0.00 C ATOM 1143 SG CYS A 74 87.187 1.367 -8.571 1.00 0.00 S ATOM 0 H CYS A 74 87.422 2.732 -4.040 1.00 0.00 H new ATOM 0 HA CYS A 74 88.138 3.156 -6.728 1.00 0.00 H new ATOM 0 HB2 CYS A 74 88.068 0.519 -6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 74 86.330 0.732 -6.408 1.00 0.00 H new ATOM 0 HG CYS A 74 86.006 1.032 -8.998 1.00 0.00 H new ATOM 1149 N ARG A 75 85.222 2.970 -6.992 1.00 0.00 N ATOM 1150 CA ARG A 75 83.891 3.577 -7.061 1.00 0.00 C ATOM 1151 C ARG A 75 82.858 2.773 -6.279 1.00 0.00 C ATOM 1152 O ARG A 75 82.859 1.542 -6.298 1.00 0.00 O ATOM 1153 CB ARG A 75 83.448 3.659 -8.529 1.00 0.00 C ATOM 1154 CG ARG A 75 82.065 4.306 -8.635 1.00 0.00 C ATOM 1155 CD ARG A 75 81.608 4.266 -10.086 1.00 0.00 C ATOM 1156 NE ARG A 75 82.512 5.052 -10.915 1.00 0.00 N ATOM 1157 CZ ARG A 75 82.351 6.362 -11.033 1.00 0.00 C ATOM 1158 NH1 ARG A 75 81.207 6.841 -11.448 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 83.332 7.167 -10.733 1.00 0.00 N ATOM 0 H ARG A 75 85.408 2.291 -7.730 1.00 0.00 H new ATOM 0 HA ARG A 75 83.955 4.571 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 75 84.172 4.238 -9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.423 2.660 -8.964 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.353 3.777 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 75 82.103 5.336 -8.281 1.00 0.00 H new ATOM 0 HD2 ARG A 75 81.581 3.235 -10.439 1.00 0.00 H new ATOM 0 HD3 ARG A 75 80.594 4.657 -10.167 1.00 0.00 H new ATOM 0 HE ARG A 75 83.276 4.590 -11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 75 80.442 6.207 -11.680 1.00 0.00 H new ATOM 0 HH12 ARG A 75 81.079 7.849 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 75 84.222 6.788 -10.408 1.00 0.00 H new ATOM 0 HH22 ARG A 75 83.210 8.176 -10.823 1.00 0.00 H new ATOM 1173 N VAL A 76 81.945 3.493 -5.627 1.00 0.00 N ATOM 1174 CA VAL A 76 80.862 2.867 -4.874 1.00 0.00 C ATOM 1175 C VAL A 76 79.539 3.351 -5.457 1.00 0.00 C ATOM 1176 O VAL A 76 79.345 4.554 -5.641 1.00 0.00 O ATOM 1177 CB VAL A 76 80.969 3.244 -3.391 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.748 2.723 -2.622 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.240 2.631 -2.798 1.00 0.00 C ATOM 0 H VAL A 76 81.935 4.513 -5.606 1.00 0.00 H new ATOM 0 HA VAL A 76 80.924 1.781 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 76 81.008 4.330 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.836 2.997 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.841 3.163 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.698 1.638 -2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.316 2.899 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.200 1.546 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 76 83.111 3.011 -3.333 1.00 0.00 H new ATOM 1189 N THR A 77 78.642 2.413 -5.779 1.00 0.00 N ATOM 1190 CA THR A 77 77.345 2.767 -6.376 1.00 0.00 C ATOM 1191 C THR A 77 76.197 1.991 -5.725 1.00 0.00 C ATOM 1192 O THR A 77 76.258 0.770 -5.566 1.00 0.00 O ATOM 1193 CB THR A 77 77.381 2.494 -7.887 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.485 3.187 -8.457 1.00 0.00 O ATOM 1195 CG2 THR A 77 76.081 2.987 -8.536 1.00 0.00 C ATOM 0 H THR A 77 78.785 1.413 -5.639 1.00 0.00 H new ATOM 0 HA THR A 77 77.167 3.828 -6.201 1.00 0.00 H new ATOM 0 HB THR A 77 77.484 1.423 -8.061 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.516 3.016 -9.422 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.112 2.791 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.233 2.463 -8.096 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.973 4.058 -8.366 1.00 0.00 H new ATOM 1203 N PHE A 78 75.140 2.720 -5.367 1.00 0.00 N ATOM 1204 CA PHE A 78 73.949 2.136 -4.744 1.00 0.00 C ATOM 1205 C PHE A 78 72.732 2.561 -5.562 1.00 0.00 C ATOM 1206 O PHE A 78 72.444 3.752 -5.674 1.00 0.00 O ATOM 1207 CB PHE A 78 73.866 2.629 -3.292 1.00 0.00 C ATOM 1208 CG PHE A 78 72.484 2.449 -2.699 1.00 0.00 C ATOM 1209 CD1 PHE A 78 71.747 1.280 -2.924 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.957 3.460 -1.883 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.487 1.126 -2.335 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.701 3.304 -1.293 1.00 0.00 C ATOM 1213 CZ PHE A 78 69.964 2.139 -1.517 1.00 0.00 C ATOM 0 H PHE A 78 75.084 3.730 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 78 73.991 1.047 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.592 2.088 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 78 74.141 3.683 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.150 0.499 -3.551 1.00 0.00 H new ATOM 0 HD2 PHE A 78 72.524 4.363 -1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.916 0.226 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 78 70.299 4.084 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.992 2.018 -1.061 1.00 0.00 H new ATOM 1223 N LEU A 79 72.052 1.587 -6.173 1.00 0.00 N ATOM 1224 CA LEU A 79 70.897 1.870 -7.040 1.00 0.00 C ATOM 1225 C LEU A 79 69.585 1.361 -6.451 1.00 0.00 C ATOM 1226 O LEU A 79 69.199 0.214 -6.677 1.00 0.00 O ATOM 1227 CB LEU A 79 71.129 1.179 -8.393 1.00 0.00 C ATOM 1228 CG LEU A 79 70.175 1.731 -9.477 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.705 1.337 -10.859 1.00 0.00 C ATOM 1230 CD2 LEU A 79 68.750 1.170 -9.300 1.00 0.00 C ATOM 0 H LEU A 79 72.278 0.596 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 79 70.813 2.952 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 79 72.163 1.326 -8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.978 0.105 -8.286 1.00 0.00 H new ATOM 0 HG LEU A 79 70.132 2.816 -9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 79 70.037 1.723 -11.629 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.701 1.756 -11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.755 0.251 -10.933 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.100 1.575 -10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.775 0.083 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 79 68.366 1.455 -8.320 1.00 0.00 H new ATOM 1242 N ALA A 80 68.886 2.231 -5.719 1.00 0.00 N ATOM 1243 CA ALA A 80 67.592 1.879 -5.124 1.00 0.00 C ATOM 1244 C ALA A 80 66.475 2.672 -5.813 1.00 0.00 C ATOM 1245 O ALA A 80 66.235 3.832 -5.489 1.00 0.00 O ATOM 1246 CB ALA A 80 67.599 2.187 -3.618 1.00 0.00 C ATOM 0 H ALA A 80 69.193 3.184 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 80 67.416 0.812 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.633 1.922 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.384 1.608 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.784 3.250 -3.465 1.00 0.00 H new ATOM 1252 N GLY A 81 65.789 2.026 -6.751 1.00 0.00 N ATOM 1253 CA GLY A 81 64.685 2.669 -7.468 1.00 0.00 C ATOM 1254 C GLY A 81 65.060 4.069 -7.985 1.00 0.00 C ATOM 1255 O GLY A 81 66.239 4.398 -8.127 1.00 0.00 O ATOM 0 H GLY A 81 65.974 1.064 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.386 2.042 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.822 2.748 -6.807 1.00 0.00 H new ATOM 1259 N ASP A 82 64.028 4.868 -8.290 1.00 0.00 N ATOM 1260 CA ASP A 82 64.182 6.230 -8.827 1.00 0.00 C ATOM 1261 C ASP A 82 65.229 7.066 -8.086 1.00 0.00 C ATOM 1262 O ASP A 82 65.477 8.215 -8.459 1.00 0.00 O ATOM 1263 CB ASP A 82 62.826 6.936 -8.750 1.00 0.00 C ATOM 1264 CG ASP A 82 61.852 6.288 -9.728 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.155 5.205 -10.203 1.00 0.00 O ATOM 1266 OD2 ASP A 82 60.823 6.887 -9.996 1.00 0.00 O1- ATOM 0 H ASP A 82 63.055 4.586 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 82 64.533 6.136 -9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.431 6.876 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.942 7.994 -8.985 1.00 0.00 H new ATOM 1271 N MET A 83 65.845 6.503 -7.049 1.00 0.00 N ATOM 1272 CA MET A 83 66.870 7.226 -6.290 1.00 0.00 C ATOM 1273 C MET A 83 68.230 6.561 -6.453 1.00 0.00 C ATOM 1274 O MET A 83 68.366 5.361 -6.213 1.00 0.00 O ATOM 1275 CB MET A 83 66.510 7.238 -4.804 1.00 0.00 C ATOM 1276 CG MET A 83 65.066 7.750 -4.589 1.00 0.00 C ATOM 1277 SD MET A 83 63.980 6.379 -4.082 1.00 0.00 S ATOM 1278 CE MET A 83 64.569 6.195 -2.375 1.00 0.00 C ATOM 0 H MET A 83 65.657 5.558 -6.715 1.00 0.00 H new ATOM 0 HA MET A 83 66.916 8.245 -6.674 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.608 6.233 -4.394 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.210 7.874 -4.261 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.059 8.530 -3.827 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.691 8.199 -5.509 1.00 0.00 H new ATOM 0 HE1 MET A 83 63.739 5.901 -1.733 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.345 5.430 -2.338 1.00 0.00 H new ATOM 0 HE3 MET A 83 64.978 7.144 -2.027 1.00 0.00 H new ATOM 1288 N VAL A 84 69.241 7.342 -6.856 1.00 0.00 N ATOM 1289 CA VAL A 84 70.597 6.811 -7.037 1.00 0.00 C ATOM 1290 C VAL A 84 71.620 7.701 -6.327 1.00 0.00 C ATOM 1291 O VAL A 84 71.635 8.919 -6.506 1.00 0.00 O ATOM 1292 CB VAL A 84 70.933 6.731 -8.530 1.00 0.00 C ATOM 1293 CG1 VAL A 84 69.861 5.912 -9.258 1.00 0.00 C ATOM 1294 CG2 VAL A 84 70.987 8.141 -9.119 1.00 0.00 C ATOM 0 H VAL A 84 69.146 8.337 -7.061 1.00 0.00 H new ATOM 0 HA VAL A 84 70.638 5.812 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 84 71.902 6.248 -8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.103 5.857 -10.319 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.827 4.905 -8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 84 68.890 6.390 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 84 71.226 8.083 -10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 84 70.019 8.626 -8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 84 71.754 8.721 -8.606 1.00 0.00 H new ATOM 1304 N THR A 85 72.475 7.070 -5.521 1.00 0.00 N ATOM 1305 CA THR A 85 73.517 7.779 -4.764 1.00 0.00 C ATOM 1306 C THR A 85 74.889 7.190 -5.116 1.00 0.00 C ATOM 1307 O THR A 85 75.004 5.982 -5.322 1.00 0.00 O ATOM 1308 CB THR A 85 73.269 7.613 -3.245 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.781 6.361 -2.833 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.766 7.657 -2.929 1.00 0.00 C ATOM 0 H THR A 85 72.469 6.061 -5.373 1.00 0.00 H new ATOM 0 HA THR A 85 73.489 8.838 -5.022 1.00 0.00 H new ATOM 0 HB THR A 85 73.765 8.428 -2.718 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.223 5.643 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.616 7.538 -1.856 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.355 8.614 -3.249 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.259 6.850 -3.458 1.00 0.00 H new ATOM 1318 N SER A 86 75.931 8.028 -5.190 1.00 0.00 N ATOM 1319 CA SER A 86 77.273 7.525 -5.522 1.00 0.00 C ATOM 1320 C SER A 86 78.375 8.411 -4.934 1.00 0.00 C ATOM 1321 O SER A 86 78.358 9.630 -5.099 1.00 0.00 O ATOM 1322 CB SER A 86 77.439 7.454 -7.037 1.00 0.00 C ATOM 1323 OG SER A 86 76.391 6.668 -7.586 1.00 0.00 O ATOM 0 H SER A 86 75.876 9.034 -5.029 1.00 0.00 H new ATOM 0 HA SER A 86 77.368 6.531 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 86 77.420 8.457 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.406 7.019 -7.289 1.00 0.00 H new ATOM 0 HG SER A 86 76.493 6.621 -8.560 1.00 0.00 H new ATOM 1329 N ALA A 87 79.330 7.780 -4.236 1.00 0.00 N ATOM 1330 CA ALA A 87 80.442 8.505 -3.602 1.00 0.00 C ATOM 1331 C ALA A 87 81.746 7.721 -3.762 1.00 0.00 C ATOM 1332 O ALA A 87 81.734 6.494 -3.854 1.00 0.00 O ATOM 1333 CB ALA A 87 80.138 8.695 -2.117 1.00 0.00 C ATOM 0 H ALA A 87 79.355 6.770 -4.096 1.00 0.00 H new ATOM 0 HA ALA A 87 80.555 9.476 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 87 80.960 9.232 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.217 9.268 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.020 7.721 -1.642 1.00 0.00 H new ATOM 1339 N PHE A 88 82.870 8.434 -3.815 1.00 0.00 N ATOM 1340 CA PHE A 88 84.162 7.785 -3.997 1.00 0.00 C ATOM 1341 C PHE A 88 84.685 7.168 -2.707 1.00 0.00 C ATOM 1342 O PHE A 88 84.201 7.447 -1.606 1.00 0.00 O ATOM 1343 CB PHE A 88 85.194 8.793 -4.506 1.00 0.00 C ATOM 1344 CG PHE A 88 84.805 9.284 -5.883 1.00 0.00 C ATOM 1345 CD1 PHE A 88 85.030 8.482 -7.013 1.00 0.00 C ATOM 1346 CD2 PHE A 88 84.216 10.543 -6.026 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.663 8.946 -8.283 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.849 11.007 -7.292 1.00 0.00 C ATOM 1349 CZ PHE A 88 84.069 10.207 -8.423 1.00 0.00 C ATOM 0 H PHE A 88 82.910 9.450 -3.735 1.00 0.00 H new ATOM 0 HA PHE A 88 84.012 6.988 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.262 9.635 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.180 8.329 -4.542 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.485 7.509 -6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 88 84.044 11.159 -5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.838 8.332 -9.154 1.00 0.00 H new ATOM 0 HE2 PHE A 88 83.396 11.981 -7.400 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.781 10.563 -9.401 1.00 0.00 H new ATOM 1359 N LEU A 89 85.707 6.340 -2.875 1.00 0.00 N ATOM 1360 CA LEU A 89 86.376 5.670 -1.771 1.00 0.00 C ATOM 1361 C LEU A 89 87.865 5.959 -1.889 1.00 0.00 C ATOM 1362 O LEU A 89 88.422 5.890 -2.982 1.00 0.00 O ATOM 1363 CB LEU A 89 86.116 4.159 -1.832 1.00 0.00 C ATOM 1364 CG LEU A 89 86.906 3.438 -0.727 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.544 4.025 0.649 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.574 1.937 -0.759 1.00 0.00 C ATOM 0 H LEU A 89 86.097 6.113 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 89 85.996 6.034 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.050 3.961 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.407 3.772 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 89 87.973 3.577 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.108 3.508 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.790 5.087 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.477 3.897 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.133 1.424 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.506 1.797 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.848 1.524 -1.730 1.00 0.00 H new ATOM 1378 N THR A 90 88.511 6.296 -0.781 1.00 0.00 N ATOM 1379 CA THR A 90 89.943 6.604 -0.813 1.00 0.00 C ATOM 1380 C THR A 90 90.675 5.968 0.356 1.00 0.00 C ATOM 1381 O THR A 90 90.357 6.220 1.518 1.00 0.00 O ATOM 1382 CB THR A 90 90.150 8.120 -0.782 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.577 8.702 -1.941 1.00 0.00 O ATOM 1384 CG2 THR A 90 91.644 8.430 -0.757 1.00 0.00 C ATOM 0 H THR A 90 88.079 6.364 0.140 1.00 0.00 H new ATOM 0 HA THR A 90 90.352 6.193 -1.736 1.00 0.00 H new ATOM 0 HB THR A 90 89.673 8.529 0.109 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.709 9.673 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 90 91.791 9.510 -0.735 1.00 0.00 H new ATOM 0 HG22 THR A 90 92.093 7.984 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 90 92.116 8.018 -1.649 1.00 0.00 H new ATOM 1392 N VAL A 91 91.690 5.169 0.037 1.00 0.00 N ATOM 1393 CA VAL A 91 92.501 4.523 1.059 1.00 0.00 C ATOM 1394 C VAL A 91 93.945 4.520 0.602 1.00 0.00 C ATOM 1395 O VAL A 91 94.230 4.179 -0.545 1.00 0.00 O ATOM 1396 CB VAL A 91 92.016 3.088 1.283 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.794 2.442 2.441 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.520 3.118 1.615 1.00 0.00 C ATOM 0 H VAL A 91 91.968 4.955 -0.921 1.00 0.00 H new ATOM 0 HA VAL A 91 92.414 5.067 2.000 1.00 0.00 H new ATOM 0 HB VAL A 91 92.184 2.500 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.441 1.422 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.857 2.427 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.636 3.019 3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.163 2.101 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.359 3.707 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 91 89.972 3.567 0.787 1.00 0.00 H new ATOM 1408 N ARG A 92 94.860 4.936 1.482 1.00 0.00 N ATOM 1409 CA ARG A 92 96.283 5.007 1.124 1.00 0.00 C ATOM 1410 C ARG A 92 97.154 4.211 2.093 1.00 0.00 C ATOM 1411 O ARG A 92 96.758 3.931 3.223 1.00 0.00 O ATOM 1412 CB ARG A 92 96.733 6.472 1.135 1.00 0.00 C ATOM 1413 CG ARG A 92 96.607 7.047 2.553 1.00 0.00 C ATOM 1414 CD ARG A 92 96.983 8.533 2.530 1.00 0.00 C ATOM 1415 NE ARG A 92 96.919 9.104 3.874 1.00 0.00 N ATOM 1416 CZ ARG A 92 97.968 9.063 4.689 1.00 0.00 C ATOM 1417 NH1 ARG A 92 98.161 8.019 5.447 1.00 0.00 N ATOM 1418 NH2 ARG A 92 98.818 10.052 4.706 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.647 5.226 2.436 1.00 0.00 H new ATOM 0 HA ARG A 92 96.400 4.574 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 92 97.765 6.547 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 92 96.125 7.053 0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 92 95.588 6.923 2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 92 97.260 6.505 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 92 97.988 8.652 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.307 9.074 1.867 1.00 0.00 H new ATOM 0 HE ARG A 92 96.054 9.542 4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 92 97.508 7.237 5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 92 98.965 7.985 6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 92 98.677 10.856 4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 92 99.623 10.022 5.331 1.00 0.00 H new ATOM 1432 N GLY A 93 98.354 3.856 1.637 1.00 0.00 N ATOM 1433 CA GLY A 93 99.285 3.103 2.467 1.00 0.00 C ATOM 1434 C GLY A 93 100.711 3.243 1.943 1.00 0.00 C ATOM 1435 O GLY A 93 101.103 2.570 0.991 1.00 0.00 O ATOM 0 H GLY A 93 98.700 4.077 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 93 99.234 3.460 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 93 98.999 2.051 2.480 1.00 0.00 H new ATOM 1439 N GLY A 94 101.483 4.129 2.565 1.00 0.00 N ATOM 1440 CA GLY A 94 102.861 4.357 2.142 1.00 0.00 C ATOM 1441 C GLY A 94 103.813 3.300 2.703 1.00 0.00 C ATOM 1442 O GLY A 94 103.894 3.096 3.916 1.00 0.00 O ATOM 0 H GLY A 94 101.181 4.697 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 94 102.912 4.350 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 94 103.182 5.346 2.470 1.00 0.00 H new ATOM 1446 N LEU A 95 104.532 2.636 1.795 1.00 0.00 N ATOM 1447 CA LEU A 95 105.493 1.590 2.152 1.00 0.00 C ATOM 1448 C LEU A 95 106.916 2.109 1.943 1.00 0.00 C ATOM 1449 O LEU A 95 107.245 2.635 0.879 1.00 0.00 O ATOM 1450 CB LEU A 95 105.254 0.352 1.266 1.00 0.00 C ATOM 1451 CG LEU A 95 104.156 -0.541 1.863 1.00 0.00 C ATOM 1452 CD1 LEU A 95 102.797 0.152 1.757 1.00 0.00 C ATOM 1453 CD2 LEU A 95 104.113 -1.856 1.088 1.00 0.00 C ATOM 0 H LEU A 95 104.464 2.808 0.792 1.00 0.00 H new ATOM 0 HA LEU A 95 105.362 1.316 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 95 104.968 0.667 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 95 106.179 -0.216 1.170 1.00 0.00 H new ATOM 0 HG LEU A 95 104.376 -0.730 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 95 102.027 -0.491 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 95 102.826 1.095 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 95 102.568 0.346 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 95 103.336 -2.498 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 95 103.894 -1.653 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 95 105.078 -2.356 1.167 1.00 0.00 H new ATOM 1465 N GLU A 96 107.750 1.963 2.963 1.00 0.00 N ATOM 1466 CA GLU A 96 109.127 2.433 2.877 1.00 0.00 C ATOM 1467 C GLU A 96 109.976 1.478 2.040 1.00 0.00 C ATOM 1468 O GLU A 96 110.089 1.641 0.827 1.00 0.00 O ATOM 1469 CB GLU A 96 109.709 2.558 4.289 1.00 0.00 C ATOM 1470 CG GLU A 96 111.153 3.056 4.221 1.00 0.00 C ATOM 1471 CD GLU A 96 111.675 3.313 5.632 1.00 0.00 C ATOM 1472 OE1 GLU A 96 110.995 2.938 6.570 1.00 0.00 O ATOM 1473 OE2 GLU A 96 112.748 3.876 5.749 1.00 0.00 O1- ATOM 0 H GLU A 96 107.502 1.528 3.851 1.00 0.00 H new ATOM 0 HA GLU A 96 109.137 3.408 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 96 109.106 3.248 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 96 109.673 1.592 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 96 111.779 2.318 3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 96 111.205 3.971 3.631 1.00 0.00 H new ATOM 1480 N HIS A 97 110.571 0.480 2.686 1.00 0.00 N ATOM 1481 CA HIS A 97 111.400 -0.486 1.973 1.00 0.00 C ATOM 1482 C HIS A 97 111.473 -1.786 2.762 1.00 0.00 C ATOM 1483 O HIS A 97 111.351 -2.875 2.201 1.00 0.00 O ATOM 1484 CB HIS A 97 112.810 0.082 1.771 1.00 0.00 C ATOM 1485 CG HIS A 97 113.581 -0.786 0.806 1.00 0.00 C ATOM 1486 ND1 HIS A 97 113.080 -1.122 -0.441 1.00 0.00 N ATOM 1487 CD2 HIS A 97 114.823 -1.373 0.882 1.00 0.00 C ATOM 1488 CE1 HIS A 97 114.004 -1.879 -1.061 1.00 0.00 C ATOM 1489 NE2 HIS A 97 115.086 -2.064 -0.300 1.00 0.00 N ATOM 0 H HIS A 97 110.496 0.320 3.691 1.00 0.00 H new ATOM 0 HA HIS A 97 110.955 -0.685 0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 97 112.750 1.101 1.388 1.00 0.00 H new ATOM 0 HB3 HIS A 97 113.332 0.131 2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 97 115.492 -1.308 1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 97 113.885 -2.287 -2.054 1.00 0.00 H new ATOM 0 HE2 HIS A 97 115.924 -2.596 -0.533 1.00 0.00 H new ATOM 1497 N HIS A 98 111.666 -1.657 4.076 1.00 0.00 N ATOM 1498 CA HIS A 98 111.749 -2.820 4.964 1.00 0.00 C ATOM 1499 C HIS A 98 110.526 -2.870 5.873 1.00 0.00 C ATOM 1500 O HIS A 98 110.082 -1.842 6.389 1.00 0.00 O ATOM 1501 CB HIS A 98 113.017 -2.727 5.823 1.00 0.00 C ATOM 1502 CG HIS A 98 114.243 -2.786 4.949 1.00 0.00 C ATOM 1503 ND1 HIS A 98 115.486 -2.368 5.397 1.00 0.00 N ATOM 1504 CD2 HIS A 98 114.431 -3.200 3.653 1.00 0.00 C ATOM 1505 CE1 HIS A 98 116.359 -2.538 4.386 1.00 0.00 C ATOM 1506 NE2 HIS A 98 115.769 -3.045 3.302 1.00 0.00 N ATOM 0 H HIS A 98 111.768 -0.759 4.549 1.00 0.00 H new ATOM 0 HA HIS A 98 111.785 -3.725 4.358 1.00 0.00 H new ATOM 0 HB2 HIS A 98 113.012 -1.798 6.393 1.00 0.00 H new ATOM 0 HB3 HIS A 98 113.037 -3.543 6.545 1.00 0.00 H new ATOM 0 HD2 HIS A 98 113.658 -3.587 3.005 1.00 0.00 H new ATOM 0 HE1 HIS A 98 117.409 -2.294 4.445 1.00 0.00 H new ATOM 0 HE2 HIS A 98 116.205 -3.271 2.408 1.00 0.00 H new ATOM 1514 N HIS A 99 109.984 -4.074 6.075 1.00 0.00 N ATOM 1515 CA HIS A 99 108.812 -4.256 6.936 1.00 0.00 C ATOM 1516 C HIS A 99 109.205 -5.023 8.186 1.00 0.00 C ATOM 1517 O HIS A 99 109.568 -6.198 8.119 1.00 0.00 O ATOM 1518 CB HIS A 99 107.722 -5.025 6.190 1.00 0.00 C ATOM 1519 CG HIS A 99 107.305 -4.237 4.982 1.00 0.00 C ATOM 1520 ND1 HIS A 99 107.912 -4.402 3.751 1.00 0.00 N ATOM 1521 CD2 HIS A 99 106.349 -3.268 4.803 1.00 0.00 C ATOM 1522 CE1 HIS A 99 107.322 -3.553 2.889 1.00 0.00 C ATOM 1523 NE2 HIS A 99 106.361 -2.837 3.480 1.00 0.00 N ATOM 0 H HIS A 99 110.336 -4.935 5.656 1.00 0.00 H new ATOM 0 HA HIS A 99 108.429 -3.275 7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 99 108.092 -6.006 5.890 1.00 0.00 H new ATOM 0 HB3 HIS A 99 106.866 -5.193 6.843 1.00 0.00 H new ATOM 0 HD1 HIS A 99 108.670 -5.050 3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 99 105.688 -2.897 5.572 1.00 0.00 H new ATOM 0 HE1 HIS A 99 107.592 -3.462 1.847 1.00 0.00 H new ATOM 1531 N HIS A 100 109.134 -4.347 9.329 1.00 0.00 N ATOM 1532 CA HIS A 100 109.493 -4.970 10.606 1.00 0.00 C ATOM 1533 C HIS A 100 108.248 -5.459 11.347 1.00 0.00 C ATOM 1534 O HIS A 100 107.602 -4.699 12.069 1.00 0.00 O ATOM 1535 CB HIS A 100 110.256 -3.971 11.487 1.00 0.00 C ATOM 1536 CG HIS A 100 111.571 -3.621 10.842 1.00 0.00 C ATOM 1537 ND1 HIS A 100 112.579 -4.555 10.634 1.00 0.00 N ATOM 1538 CD2 HIS A 100 112.062 -2.433 10.362 1.00 0.00 C ATOM 1539 CE1 HIS A 100 113.611 -3.914 10.054 1.00 0.00 C ATOM 1540 NE2 HIS A 100 113.347 -2.620 9.863 1.00 0.00 N ATOM 0 H HIS A 100 108.834 -3.375 9.401 1.00 0.00 H new ATOM 0 HA HIS A 100 110.131 -5.828 10.394 1.00 0.00 H new ATOM 0 HB2 HIS A 100 109.660 -3.070 11.631 1.00 0.00 H new ATOM 0 HB3 HIS A 100 110.428 -4.400 12.474 1.00 0.00 H new ATOM 0 HD2 HIS A 100 111.530 -1.493 10.370 1.00 0.00 H new ATOM 0 HE1 HIS A 100 114.540 -4.390 9.777 1.00 0.00 H new ATOM 0 HE2 HIS A 100 113.956 -1.919 9.442 1.00 0.00 H new ATOM 1548 N HIS A 101 107.927 -6.736 11.164 1.00 0.00 N ATOM 1549 CA HIS A 101 106.766 -7.336 11.818 1.00 0.00 C ATOM 1550 C HIS A 101 105.502 -6.524 11.549 1.00 0.00 C ATOM 1551 O HIS A 101 105.362 -5.394 12.012 1.00 0.00 O ATOM 1552 CB HIS A 101 107.006 -7.438 13.332 1.00 0.00 C ATOM 1553 CG HIS A 101 108.032 -8.503 13.603 1.00 0.00 C ATOM 1554 ND1 HIS A 101 109.161 -8.260 14.371 1.00 0.00 N ATOM 1555 CD2 HIS A 101 108.132 -9.808 13.192 1.00 0.00 C ATOM 1556 CE1 HIS A 101 109.887 -9.393 14.393 1.00 0.00 C ATOM 1557 NE2 HIS A 101 109.304 -10.369 13.691 1.00 0.00 N ATOM 0 H HIS A 101 108.453 -7.376 10.569 1.00 0.00 H new ATOM 0 HA HIS A 101 106.626 -8.335 11.406 1.00 0.00 H new ATOM 0 HB2 HIS A 101 107.348 -6.480 13.723 1.00 0.00 H new ATOM 0 HB3 HIS A 101 106.074 -7.676 13.844 1.00 0.00 H new ATOM 0 HD2 HIS A 101 107.410 -10.322 12.575 1.00 0.00 H new ATOM 0 HE1 HIS A 101 110.827 -9.500 14.915 1.00 0.00 H new ATOM 0 HE2 HIS A 101 109.644 -11.320 13.551 1.00 0.00 H new ATOM 1565 N HIS A 102 104.586 -7.111 10.789 1.00 0.00 N ATOM 1566 CA HIS A 102 103.341 -6.442 10.455 1.00 0.00 C ATOM 1567 C HIS A 102 102.339 -7.447 9.893 1.00 0.00 C ATOM 1568 O HIS A 102 102.325 -8.567 10.373 1.00 0.00 O ATOM 1569 CB HIS A 102 103.620 -5.348 9.426 1.00 0.00 C ATOM 1570 CG HIS A 102 104.007 -5.985 8.122 1.00 0.00 C ATOM 1571 ND1 HIS A 102 105.147 -6.762 7.993 1.00 0.00 N ATOM 1572 CD2 HIS A 102 103.418 -5.969 6.886 1.00 0.00 C ATOM 1573 CE1 HIS A 102 105.211 -7.174 6.714 1.00 0.00 C ATOM 1574 NE2 HIS A 102 104.180 -6.717 5.996 1.00 0.00 N ATOM 1575 OXT HIS A 102 101.612 -7.085 8.983 1.00 0.00 O ATOM 0 H HIS A 102 104.684 -8.047 10.395 1.00 0.00 H new ATOM 0 HA HIS A 102 102.916 -5.996 11.354 1.00 0.00 H new ATOM 0 HB2 HIS A 102 102.736 -4.724 9.292 1.00 0.00 H new ATOM 0 HB3 HIS A 102 104.420 -4.696 9.778 1.00 0.00 H new ATOM 0 HD2 HIS A 102 102.501 -5.454 6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 102 105.998 -7.797 6.316 1.00 0.00 H new ATOM 0 HE2 HIS A 102 103.993 -6.882 5.007 1.00 0.00 H new TER 1583 HIS A 102