USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot -24:sc= -0.158! USER MOD Set 1.2: A 49 ASN : amide:sc= -1.04! C(o=-1.2!,f=-7.5!) USER MOD Set 2.1: A 4 ASN : amide:sc= -2.1 K(o=-6.7,f=-12!) USER MOD Set 2.2: A 29 GLN : amide:sc= 0.163 K(o=-6.7,f=-9.4) USER MOD Set 2.3: A 35 HIS : no HE2:sc= -4.81! C(o=-6.7!,f=-12!) USER MOD Single : A 1 THR N :NH3+ 154:sc= 0.131 (180deg=0.00589) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0763 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.75! C(o=-2.7!,f=-5.2!) USER MOD Single : A 25 CYS SG : rot 27:sc= -1.49! USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -133:sc= 0.945 USER MOD Single : A 57 ASN : amide:sc=-0.00673 X(o=-0.0067,f=-0.38) USER MOD Single : A 61 HIS : no HD1:sc= -0.778 X(o=-0.78,f=-0.85) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0446 K(o=-0.045,f=-1.9!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 73 SER OG : rot 103:sc= 1.27 USER MOD Single : A 74 CYS SG : rot 27:sc= 0.249 USER MOD Single : A 77 THR OG1 : rot -58:sc= 0.561 USER MOD Single : A 83 MET CE :methyl -113:sc= -1.66 (180deg=-2.24) USER MOD Single : A 85 THR OG1 : rot -150:sc= -0.666 USER MOD Single : A 86 SER OG : rot 160:sc= -0.812 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=-0.021) USER MOD Single : A 98 HIS : no HD1:sc= -0.896 X(o=-0.9,f=-0.7) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.322 K(o=-0.32,f=-1.1) USER MOD Single : A 102 HIS : no HD1:sc= -0.503 X(o=-0.5,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 56.338 -0.338 -2.760 1.00 0.00 N ATOM 2 CA THR A 1 55.794 0.501 -3.866 1.00 0.00 C ATOM 3 C THR A 1 54.785 1.502 -3.307 1.00 0.00 C ATOM 4 O THR A 1 53.609 1.478 -3.676 1.00 0.00 O ATOM 5 CB THR A 1 55.103 -0.412 -4.884 1.00 0.00 C ATOM 6 OG1 THR A 1 55.952 -1.510 -5.180 1.00 0.00 O ATOM 7 CG2 THR A 1 54.802 0.362 -6.171 1.00 0.00 C ATOM 0 H1 THR A 1 56.652 -1.254 -3.141 1.00 0.00 H new ATOM 0 H2 THR A 1 57.145 0.149 -2.320 1.00 0.00 H new ATOM 0 H3 THR A 1 55.597 -0.495 -2.047 1.00 0.00 H new ATOM 0 HA THR A 1 56.605 1.047 -4.347 1.00 0.00 H new ATOM 0 HB THR A 1 54.165 -0.772 -4.461 1.00 0.00 H new ATOM 0 HG1 THR A 1 55.513 -2.097 -5.830 1.00 0.00 H new ATOM 0 HG21 THR A 1 54.311 -0.298 -6.886 1.00 0.00 H new ATOM 0 HG22 THR A 1 54.147 1.203 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 1 55.733 0.732 -6.599 1.00 0.00 H new ATOM 17 N ALA A 2 55.247 2.384 -2.420 1.00 0.00 N ATOM 18 CA ALA A 2 54.372 3.393 -1.819 1.00 0.00 C ATOM 19 C ALA A 2 55.050 4.760 -1.816 1.00 0.00 C ATOM 20 O ALA A 2 54.435 5.766 -2.166 1.00 0.00 O ATOM 21 CB ALA A 2 54.040 2.998 -0.379 1.00 0.00 C ATOM 0 H ALA A 2 56.216 2.421 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 2 53.458 3.450 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 2 53.389 3.752 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 2 53.534 2.033 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.961 2.928 0.200 1.00 0.00 H new ATOM 27 N LYS A 3 56.320 4.794 -1.414 1.00 0.00 N ATOM 28 CA LYS A 3 57.049 6.058 -1.365 1.00 0.00 C ATOM 29 C LYS A 3 58.541 5.840 -1.117 1.00 0.00 C ATOM 30 O LYS A 3 58.924 5.123 -0.193 1.00 0.00 O ATOM 31 CB LYS A 3 56.487 6.916 -0.230 1.00 0.00 C ATOM 32 CG LYS A 3 57.087 8.323 -0.290 1.00 0.00 C ATOM 33 CD LYS A 3 56.502 9.171 0.842 1.00 0.00 C ATOM 34 CE LYS A 3 57.073 10.588 0.765 1.00 0.00 C ATOM 35 NZ LYS A 3 56.493 11.415 1.860 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.856 3.977 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 3 56.928 6.553 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.401 6.971 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.714 6.456 0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 3 58.172 8.272 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 3 56.870 8.783 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 3 55.415 9.201 0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 3 56.740 8.723 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 3 58.159 10.560 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 3 56.842 11.033 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 56.880 12.379 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 55.459 11.451 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 56.735 10.993 2.779 1.00 0.00 H new ATOM 49 N ASN A 4 59.382 6.489 -1.925 1.00 0.00 N ATOM 50 CA ASN A 4 60.829 6.391 -1.766 1.00 0.00 C ATOM 51 C ASN A 4 61.447 7.758 -2.038 1.00 0.00 C ATOM 52 O ASN A 4 61.381 8.258 -3.161 1.00 0.00 O ATOM 53 CB ASN A 4 61.402 5.336 -2.719 1.00 0.00 C ATOM 54 CG ASN A 4 60.467 4.132 -2.791 1.00 0.00 C ATOM 55 OD1 ASN A 4 60.102 3.561 -1.762 1.00 0.00 O ATOM 56 ND2 ASN A 4 60.051 3.710 -3.954 1.00 0.00 N ATOM 0 H ASN A 4 59.083 7.087 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 4 61.067 6.083 -0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.533 5.765 -3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 4 62.387 5.021 -2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 4 59.424 2.908 -4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 4 60.353 4.183 -4.806 1.00 0.00 H new ATOM 63 N THR A 5 62.052 8.370 -1.010 1.00 0.00 N ATOM 64 CA THR A 5 62.675 9.694 -1.177 1.00 0.00 C ATOM 65 C THR A 5 63.959 9.779 -0.358 1.00 0.00 C ATOM 66 O THR A 5 63.923 9.826 0.870 1.00 0.00 O ATOM 67 CB THR A 5 61.701 10.782 -0.708 1.00 0.00 C ATOM 68 OG1 THR A 5 60.573 10.816 -1.572 1.00 0.00 O ATOM 69 CG2 THR A 5 62.396 12.148 -0.719 1.00 0.00 C ATOM 0 H THR A 5 62.124 7.980 -0.070 1.00 0.00 H new ATOM 0 HA THR A 5 62.913 9.842 -2.230 1.00 0.00 H new ATOM 0 HB THR A 5 61.376 10.555 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 5 59.951 11.510 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.697 12.915 -0.385 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.256 12.124 -0.050 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.730 12.378 -1.731 1.00 0.00 H new ATOM 77 N VAL A 6 65.088 9.788 -1.047 1.00 0.00 N ATOM 78 CA VAL A 6 66.381 9.844 -0.373 1.00 0.00 C ATOM 79 C VAL A 6 66.572 11.158 0.369 1.00 0.00 C ATOM 80 O VAL A 6 66.389 12.240 -0.188 1.00 0.00 O ATOM 81 CB VAL A 6 67.511 9.665 -1.386 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.563 10.881 -2.321 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.853 9.525 -0.659 1.00 0.00 C ATOM 0 H VAL A 6 65.139 9.758 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 6 66.405 9.034 0.356 1.00 0.00 H new ATOM 0 HB VAL A 6 67.324 8.763 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.370 10.751 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.615 10.974 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.742 11.783 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.651 9.398 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.042 10.421 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.822 8.656 -0.001 1.00 0.00 H new ATOM 93 N VAL A 7 66.961 11.045 1.634 1.00 0.00 N ATOM 94 CA VAL A 7 67.208 12.209 2.470 1.00 0.00 C ATOM 95 C VAL A 7 68.660 12.646 2.293 1.00 0.00 C ATOM 96 O VAL A 7 68.960 13.833 2.159 1.00 0.00 O ATOM 97 CB VAL A 7 66.930 11.856 3.937 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.103 13.099 4.807 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.494 11.336 4.076 1.00 0.00 C ATOM 0 H VAL A 7 67.112 10.152 2.103 1.00 0.00 H new ATOM 0 HA VAL A 7 66.549 13.027 2.178 1.00 0.00 H new ATOM 0 HB VAL A 7 67.631 11.086 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.905 12.845 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.123 13.470 4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.404 13.870 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.297 11.085 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.795 12.106 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.368 10.446 3.459 1.00 0.00 H new ATOM 109 N ARG A 8 69.557 11.652 2.289 1.00 0.00 N ATOM 110 CA ARG A 8 70.993 11.884 2.124 1.00 0.00 C ATOM 111 C ARG A 8 71.623 10.788 1.276 1.00 0.00 C ATOM 112 O ARG A 8 71.416 9.602 1.520 1.00 0.00 O ATOM 113 CB ARG A 8 71.683 11.914 3.501 1.00 0.00 C ATOM 114 CG ARG A 8 73.192 11.597 3.374 1.00 0.00 C ATOM 115 CD ARG A 8 73.897 11.941 4.687 1.00 0.00 C ATOM 116 NE ARG A 8 73.825 13.374 4.946 1.00 0.00 N ATOM 117 CZ ARG A 8 74.695 14.218 4.397 1.00 0.00 C ATOM 118 NH1 ARG A 8 74.580 14.552 3.139 1.00 0.00 N ATOM 119 NH2 ARG A 8 75.666 14.708 5.111 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.307 10.669 2.400 1.00 0.00 H new ATOM 0 HA ARG A 8 71.126 12.843 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.551 12.896 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.210 11.189 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.334 10.543 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.627 12.169 2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.435 11.393 5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 8 74.939 11.626 4.640 1.00 0.00 H new ATOM 0 HE ARG A 8 73.095 13.736 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 8 73.822 14.166 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 8 75.248 15.199 2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 8 75.761 14.445 6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 8 76.333 15.355 4.690 1.00 0.00 H new ATOM 133 N GLY A 9 72.428 11.191 0.309 1.00 0.00 N ATOM 134 CA GLY A 9 73.129 10.240 -0.534 1.00 0.00 C ATOM 135 C GLY A 9 74.498 9.941 0.073 1.00 0.00 C ATOM 136 O GLY A 9 74.830 10.445 1.144 1.00 0.00 O ATOM 0 H GLY A 9 72.612 12.170 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.550 9.321 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.245 10.644 -1.540 1.00 0.00 H new ATOM 140 N LEU A 10 75.282 9.123 -0.607 1.00 0.00 N ATOM 141 CA LEU A 10 76.607 8.763 -0.113 1.00 0.00 C ATOM 142 C LEU A 10 77.594 9.906 -0.316 1.00 0.00 C ATOM 143 O LEU A 10 77.305 10.867 -1.028 1.00 0.00 O ATOM 144 CB LEU A 10 77.086 7.506 -0.826 1.00 0.00 C ATOM 145 CG LEU A 10 76.151 6.345 -0.475 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.465 5.162 -1.397 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.329 5.925 1.000 1.00 0.00 C ATOM 0 H LEU A 10 75.030 8.696 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 10 76.545 8.568 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.098 7.666 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.107 7.270 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 10 75.117 6.663 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.805 4.328 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.312 5.459 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.502 4.856 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.655 5.099 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.359 5.609 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.099 6.770 1.649 1.00 0.00 H new ATOM 159 N GLU A 11 78.767 9.797 0.313 1.00 0.00 N ATOM 160 CA GLU A 11 79.803 10.825 0.201 1.00 0.00 C ATOM 161 C GLU A 11 81.174 10.165 0.143 1.00 0.00 C ATOM 162 O GLU A 11 81.287 8.948 0.278 1.00 0.00 O ATOM 163 CB GLU A 11 79.739 11.774 1.399 1.00 0.00 C ATOM 164 CG GLU A 11 79.886 10.976 2.697 1.00 0.00 C ATOM 165 CD GLU A 11 79.792 11.915 3.893 1.00 0.00 C ATOM 166 OE1 GLU A 11 80.209 13.055 3.762 1.00 0.00 O ATOM 167 OE2 GLU A 11 79.307 11.480 4.924 1.00 0.00 O1- ATOM 0 H GLU A 11 79.022 9.007 0.905 1.00 0.00 H new ATOM 0 HA GLU A 11 79.636 11.397 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.531 12.520 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.792 12.314 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.107 10.216 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.843 10.454 2.707 1.00 0.00 H new ATOM 174 N ASN A 12 82.218 10.961 -0.047 1.00 0.00 N ATOM 175 CA ASN A 12 83.559 10.401 -0.109 1.00 0.00 C ATOM 176 C ASN A 12 83.945 9.814 1.238 1.00 0.00 C ATOM 177 O ASN A 12 83.462 10.253 2.282 1.00 0.00 O ATOM 178 CB ASN A 12 84.583 11.457 -0.543 1.00 0.00 C ATOM 179 CG ASN A 12 84.735 12.544 0.521 1.00 0.00 C ATOM 180 OD1 ASN A 12 84.370 12.348 1.681 1.00 0.00 O ATOM 181 ND2 ASN A 12 85.263 13.690 0.190 1.00 0.00 N ATOM 0 H ASN A 12 82.165 11.974 -0.158 1.00 0.00 H new ATOM 0 HA ASN A 12 83.559 9.607 -0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.547 10.981 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 12 84.270 11.907 -1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 12 85.373 14.422 0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.566 13.854 -0.770 1.00 0.00 H new ATOM 188 N VAL A 13 84.826 8.820 1.207 1.00 0.00 N ATOM 189 CA VAL A 13 85.294 8.170 2.440 1.00 0.00 C ATOM 190 C VAL A 13 86.819 8.059 2.435 1.00 0.00 C ATOM 191 O VAL A 13 87.413 7.597 1.466 1.00 0.00 O ATOM 192 CB VAL A 13 84.645 6.783 2.572 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.312 5.980 3.695 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.162 6.953 2.907 1.00 0.00 C ATOM 0 H VAL A 13 85.232 8.444 0.350 1.00 0.00 H new ATOM 0 HA VAL A 13 85.002 8.775 3.298 1.00 0.00 H new ATOM 0 HB VAL A 13 84.767 6.250 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.839 5.001 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.372 5.854 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.200 6.513 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.696 5.972 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.061 7.495 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.671 7.513 2.111 1.00 0.00 H new ATOM 204 N GLU A 14 87.441 8.483 3.536 1.00 0.00 N ATOM 205 CA GLU A 14 88.903 8.434 3.686 1.00 0.00 C ATOM 206 C GLU A 14 89.266 7.440 4.783 1.00 0.00 C ATOM 207 O GLU A 14 88.710 7.496 5.878 1.00 0.00 O ATOM 208 CB GLU A 14 89.423 9.829 4.063 1.00 0.00 C ATOM 209 CG GLU A 14 90.950 9.812 4.211 1.00 0.00 C ATOM 210 CD GLU A 14 91.457 11.220 4.531 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.639 12.061 4.867 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 92.655 11.433 4.440 1.00 0.00 O ATOM 0 H GLU A 14 86.954 8.868 4.345 1.00 0.00 H new ATOM 0 HA GLU A 14 89.357 8.119 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.134 10.550 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 14 88.965 10.154 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.240 9.123 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.409 9.451 3.291 1.00 0.00 H new ATOM 219 N ALA A 15 90.181 6.516 4.493 1.00 0.00 N ATOM 220 CA ALA A 15 90.563 5.515 5.493 1.00 0.00 C ATOM 221 C ALA A 15 91.985 5.003 5.275 1.00 0.00 C ATOM 222 O ALA A 15 92.358 4.644 4.162 1.00 0.00 O ATOM 223 CB ALA A 15 89.598 4.331 5.401 1.00 0.00 C ATOM 0 H ALA A 15 90.663 6.438 3.597 1.00 0.00 H new ATOM 0 HA ALA A 15 90.519 5.987 6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 15 89.873 3.579 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.581 4.674 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.651 3.895 4.404 1.00 0.00 H new ATOM 229 N LEU A 16 92.781 4.971 6.338 1.00 0.00 N ATOM 230 CA LEU A 16 94.148 4.487 6.218 1.00 0.00 C ATOM 231 C LEU A 16 94.164 2.978 6.047 1.00 0.00 C ATOM 232 O LEU A 16 93.210 2.280 6.399 1.00 0.00 O ATOM 233 CB LEU A 16 94.979 4.870 7.453 1.00 0.00 C ATOM 234 CG LEU A 16 95.443 6.333 7.347 1.00 0.00 C ATOM 235 CD1 LEU A 16 95.768 6.873 8.741 1.00 0.00 C ATOM 236 CD2 LEU A 16 96.705 6.443 6.467 1.00 0.00 C ATOM 0 H LEU A 16 92.509 5.269 7.275 1.00 0.00 H new ATOM 0 HA LEU A 16 94.590 4.955 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 16 94.385 4.734 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 95.844 4.212 7.537 1.00 0.00 H new ATOM 0 HG LEU A 16 94.639 6.914 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 16 96.096 7.909 8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 16 94.878 6.821 9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 16 96.562 6.274 9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 16 97.016 7.486 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 16 97.508 5.850 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 16 96.485 6.071 5.467 1.00 0.00 H new ATOM 248 N GLU A 17 95.256 2.499 5.480 1.00 0.00 N ATOM 249 CA GLU A 17 95.428 1.074 5.232 1.00 0.00 C ATOM 250 C GLU A 17 95.040 0.259 6.465 1.00 0.00 C ATOM 251 O GLU A 17 95.310 0.659 7.596 1.00 0.00 O ATOM 252 CB GLU A 17 96.887 0.785 4.864 1.00 0.00 C ATOM 253 CG GLU A 17 97.027 -0.672 4.414 1.00 0.00 C ATOM 254 CD GLU A 17 98.476 -0.969 4.036 1.00 0.00 C ATOM 255 OE1 GLU A 17 99.224 -0.025 3.835 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 98.816 -2.138 3.946 1.00 0.00 O ATOM 0 H GLU A 17 96.042 3.076 5.180 1.00 0.00 H new ATOM 0 HA GLU A 17 94.778 0.787 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.211 1.455 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.533 0.975 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 17 96.708 -1.340 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 17 96.375 -0.861 3.561 1.00 0.00 H new ATOM 263 N GLY A 18 94.403 -0.886 6.232 1.00 0.00 N ATOM 264 CA GLY A 18 93.976 -1.760 7.315 1.00 0.00 C ATOM 265 C GLY A 18 92.852 -1.117 8.110 1.00 0.00 C ATOM 266 O GLY A 18 92.635 -1.435 9.280 1.00 0.00 O ATOM 0 H GLY A 18 94.172 -1.228 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.641 -2.715 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 18 94.819 -1.971 7.973 1.00 0.00 H new ATOM 270 N GLY A 19 92.129 -0.214 7.456 1.00 0.00 N ATOM 271 CA GLY A 19 91.013 0.483 8.086 1.00 0.00 C ATOM 272 C GLY A 19 89.682 -0.094 7.624 1.00 0.00 C ATOM 273 O GLY A 19 89.644 -1.062 6.865 1.00 0.00 O ATOM 0 H GLY A 19 92.297 0.053 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.093 0.401 9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.058 1.545 7.843 1.00 0.00 H new ATOM 277 N GLU A 20 88.591 0.522 8.074 1.00 0.00 N ATOM 278 CA GLU A 20 87.242 0.088 7.699 1.00 0.00 C ATOM 279 C GLU A 20 86.551 1.210 6.932 1.00 0.00 C ATOM 280 O GLU A 20 87.088 2.313 6.832 1.00 0.00 O ATOM 281 CB GLU A 20 86.428 -0.262 8.953 1.00 0.00 C ATOM 282 CG GLU A 20 86.325 0.955 9.886 1.00 0.00 C ATOM 283 CD GLU A 20 87.690 1.282 10.482 1.00 0.00 C ATOM 284 OE1 GLU A 20 88.453 0.357 10.698 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 87.948 2.452 10.717 1.00 0.00 O ATOM 0 H GLU A 20 88.613 1.326 8.701 1.00 0.00 H new ATOM 0 HA GLU A 20 87.312 -0.800 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 20 85.430 -0.592 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 20 86.899 -1.092 9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.947 1.815 9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.612 0.750 10.684 1.00 0.00 H new ATOM 292 N ALA A 21 85.356 0.938 6.396 1.00 0.00 N ATOM 293 CA ALA A 21 84.616 1.973 5.647 1.00 0.00 C ATOM 294 C ALA A 21 83.195 2.093 6.174 1.00 0.00 C ATOM 295 O ALA A 21 82.511 1.091 6.377 1.00 0.00 O ATOM 296 CB ALA A 21 84.569 1.639 4.157 1.00 0.00 C ATOM 0 H ALA A 21 84.886 0.035 6.461 1.00 0.00 H new ATOM 0 HA ALA A 21 85.139 2.920 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.019 2.416 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 21 85.584 1.582 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.070 0.680 4.015 1.00 0.00 H new ATOM 302 N LEU A 22 82.761 3.334 6.420 1.00 0.00 N ATOM 303 CA LEU A 22 81.422 3.590 6.955 1.00 0.00 C ATOM 304 C LEU A 22 80.596 4.422 5.970 1.00 0.00 C ATOM 305 O LEU A 22 80.694 5.651 5.951 1.00 0.00 O ATOM 306 CB LEU A 22 81.537 4.360 8.287 1.00 0.00 C ATOM 307 CG LEU A 22 81.918 3.429 9.462 1.00 0.00 C ATOM 308 CD1 LEU A 22 80.786 2.428 9.758 1.00 0.00 C ATOM 309 CD2 LEU A 22 83.227 2.675 9.162 1.00 0.00 C ATOM 0 H LEU A 22 83.317 4.174 6.257 1.00 0.00 H new ATOM 0 HA LEU A 22 80.926 2.633 7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 22 82.287 5.145 8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 22 80.588 4.850 8.506 1.00 0.00 H new ATOM 0 HG LEU A 22 82.070 4.051 10.344 1.00 0.00 H new ATOM 0 HD11 LEU A 22 81.077 1.784 10.588 1.00 0.00 H new ATOM 0 HD12 LEU A 22 79.879 2.972 10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 22 80.599 1.818 8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 22 83.474 2.027 10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 22 83.101 2.071 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 22 84.033 3.392 9.008 1.00 0.00 H new ATOM 321 N PHE A 23 79.767 3.747 5.165 1.00 0.00 N ATOM 322 CA PHE A 23 78.918 4.442 4.188 1.00 0.00 C ATOM 323 C PHE A 23 77.467 4.474 4.664 1.00 0.00 C ATOM 324 O PHE A 23 76.761 3.469 4.573 1.00 0.00 O ATOM 325 CB PHE A 23 78.968 3.701 2.849 1.00 0.00 C ATOM 326 CG PHE A 23 80.272 3.976 2.145 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.429 5.169 1.436 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.306 3.036 2.176 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.619 5.426 0.755 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.501 3.295 1.496 1.00 0.00 C ATOM 331 CZ PHE A 23 82.658 4.487 0.783 1.00 0.00 C ATOM 0 H PHE A 23 79.666 2.732 5.169 1.00 0.00 H new ATOM 0 HA PHE A 23 79.288 5.461 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.856 2.630 3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 23 78.135 4.016 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.628 5.893 1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 23 81.183 2.113 2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.739 6.349 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 23 83.304 2.573 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.579 4.684 0.254 1.00 0.00 H new ATOM 341 N GLU A 24 77.027 5.618 5.191 1.00 0.00 N ATOM 342 CA GLU A 24 75.655 5.740 5.703 1.00 0.00 C ATOM 343 C GLU A 24 74.773 6.596 4.793 1.00 0.00 C ATOM 344 O GLU A 24 75.065 7.763 4.526 1.00 0.00 O ATOM 345 CB GLU A 24 75.681 6.359 7.115 1.00 0.00 C ATOM 346 CG GLU A 24 76.202 5.335 8.133 1.00 0.00 C ATOM 347 CD GLU A 24 77.723 5.238 8.062 1.00 0.00 C ATOM 348 OE1 GLU A 24 78.298 5.878 7.200 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 78.289 4.537 8.883 1.00 0.00 O ATOM 0 H GLU A 24 77.590 6.465 5.275 1.00 0.00 H new ATOM 0 HA GLU A 24 75.228 4.737 5.735 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.317 7.244 7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.679 6.685 7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.897 5.625 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 24 75.760 4.359 7.935 1.00 0.00 H new ATOM 356 N CYS A 25 73.667 5.994 4.344 1.00 0.00 N ATOM 357 CA CYS A 25 72.686 6.673 3.491 1.00 0.00 C ATOM 358 C CYS A 25 71.302 6.447 4.088 1.00 0.00 C ATOM 359 O CYS A 25 70.944 5.317 4.416 1.00 0.00 O ATOM 360 CB CYS A 25 72.737 6.129 2.049 1.00 0.00 C ATOM 361 SG CYS A 25 73.388 4.439 2.062 1.00 0.00 S ATOM 0 H CYS A 25 73.427 5.027 4.560 1.00 0.00 H new ATOM 0 HA CYS A 25 72.914 7.738 3.449 1.00 0.00 H new ATOM 0 HB2 CYS A 25 71.740 6.142 1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 25 73.367 6.768 1.430 1.00 0.00 H new ATOM 0 HG CYS A 25 73.130 3.883 3.209 1.00 0.00 H new ATOM 367 N GLN A 26 70.539 7.522 4.248 1.00 0.00 N ATOM 368 CA GLN A 26 69.199 7.421 4.839 1.00 0.00 C ATOM 369 C GLN A 26 68.123 7.793 3.831 1.00 0.00 C ATOM 370 O GLN A 26 68.152 8.873 3.240 1.00 0.00 O ATOM 371 CB GLN A 26 69.118 8.355 6.040 1.00 0.00 C ATOM 372 CG GLN A 26 70.012 7.816 7.154 1.00 0.00 C ATOM 373 CD GLN A 26 70.030 8.792 8.323 1.00 0.00 C ATOM 374 OE1 GLN A 26 70.264 9.985 8.130 1.00 0.00 O ATOM 375 NE2 GLN A 26 69.788 8.359 9.530 1.00 0.00 N ATOM 0 H GLN A 26 70.816 8.467 3.982 1.00 0.00 H new ATOM 0 HA GLN A 26 69.030 6.389 5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.434 9.359 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 26 68.088 8.431 6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.648 6.844 7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 26 71.024 7.666 6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 26 69.594 7.370 9.688 1.00 0.00 H new ATOM 0 HE22 GLN A 26 69.792 9.009 10.316 1.00 0.00 H new ATOM 384 N LEU A 27 67.167 6.883 3.643 1.00 0.00 N ATOM 385 CA LEU A 27 66.067 7.104 2.703 1.00 0.00 C ATOM 386 C LEU A 27 64.716 6.779 3.351 1.00 0.00 C ATOM 387 O LEU A 27 64.639 6.009 4.309 1.00 0.00 O ATOM 388 CB LEU A 27 66.270 6.272 1.416 1.00 0.00 C ATOM 389 CG LEU A 27 66.912 4.898 1.713 1.00 0.00 C ATOM 390 CD1 LEU A 27 68.391 5.045 2.149 1.00 0.00 C ATOM 391 CD2 LEU A 27 66.106 4.162 2.793 1.00 0.00 C ATOM 0 H LEU A 27 67.132 5.987 4.128 1.00 0.00 H new ATOM 0 HA LEU A 27 66.065 8.159 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 27 65.309 6.125 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 27 66.902 6.826 0.722 1.00 0.00 H new ATOM 0 HG LEU A 27 66.895 4.313 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 27 68.811 4.059 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 27 68.959 5.526 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 27 68.445 5.653 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 27 66.567 3.195 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 27 66.094 4.756 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 27 65.084 4.012 2.445 1.00 0.00 H new ATOM 403 N SER A 28 63.655 7.393 2.819 1.00 0.00 N ATOM 404 CA SER A 28 62.296 7.197 3.336 1.00 0.00 C ATOM 405 C SER A 28 61.540 6.141 2.529 1.00 0.00 C ATOM 406 O SER A 28 61.029 6.423 1.455 1.00 0.00 O ATOM 407 CB SER A 28 61.527 8.522 3.275 1.00 0.00 C ATOM 408 OG SER A 28 60.153 8.287 3.557 1.00 0.00 O ATOM 0 H SER A 28 63.711 8.033 2.027 1.00 0.00 H new ATOM 0 HA SER A 28 62.374 6.853 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 28 61.941 9.228 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.635 8.972 2.288 1.00 0.00 H new ATOM 0 HG SER A 28 59.662 9.134 3.520 1.00 0.00 H new ATOM 414 N GLN A 29 61.456 4.939 3.082 1.00 0.00 N ATOM 415 CA GLN A 29 60.747 3.824 2.448 1.00 0.00 C ATOM 416 C GLN A 29 60.761 2.614 3.387 1.00 0.00 C ATOM 417 O GLN A 29 61.647 1.761 3.291 1.00 0.00 O ATOM 418 CB GLN A 29 61.409 3.423 1.114 1.00 0.00 C ATOM 419 CG GLN A 29 62.928 3.521 1.232 1.00 0.00 C ATOM 420 CD GLN A 29 63.591 2.906 0.002 1.00 0.00 C ATOM 421 OE1 GLN A 29 63.092 3.052 -1.112 1.00 0.00 O ATOM 422 NE2 GLN A 29 64.696 2.222 0.137 1.00 0.00 N ATOM 0 H GLN A 29 61.875 4.704 3.982 1.00 0.00 H new ATOM 0 HA GLN A 29 59.725 4.145 2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.122 2.406 0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 29 61.056 4.073 0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 29 63.226 4.565 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 29 63.265 3.006 2.132 1.00 0.00 H new ATOM 0 HE21 GLN A 29 65.111 2.100 1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 29 65.144 1.810 -0.681 1.00 0.00 H new ATOM 431 N PRO A 30 59.815 2.512 4.287 1.00 0.00 N ATOM 432 CA PRO A 30 59.757 1.368 5.236 1.00 0.00 C ATOM 433 C PRO A 30 59.367 0.071 4.520 1.00 0.00 C ATOM 434 O PRO A 30 58.687 -0.787 5.082 1.00 0.00 O ATOM 435 CB PRO A 30 58.713 1.782 6.301 1.00 0.00 C ATOM 436 CG PRO A 30 58.214 3.155 5.915 1.00 0.00 C ATOM 437 CD PRO A 30 58.712 3.456 4.496 1.00 0.00 C ATOM 0 HA PRO A 30 60.726 1.161 5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.891 1.067 6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.161 1.799 7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.125 3.190 5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.581 3.905 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 30 57.922 3.313 3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 30 59.050 4.488 4.404 1.00 0.00 H new ATOM 445 N GLU A 31 59.821 -0.054 3.274 1.00 0.00 N ATOM 446 CA GLU A 31 59.546 -1.233 2.462 1.00 0.00 C ATOM 447 C GLU A 31 60.714 -1.460 1.507 1.00 0.00 C ATOM 448 O GLU A 31 61.508 -0.551 1.268 1.00 0.00 O ATOM 449 CB GLU A 31 58.231 -1.055 1.688 1.00 0.00 C ATOM 450 CG GLU A 31 57.876 -2.355 0.951 1.00 0.00 C ATOM 451 CD GLU A 31 56.476 -2.261 0.350 1.00 0.00 C ATOM 452 OE1 GLU A 31 55.700 -1.442 0.819 1.00 0.00 O1- ATOM 453 OE2 GLU A 31 56.194 -3.024 -0.561 1.00 0.00 O ATOM 0 H GLU A 31 60.385 0.654 2.804 1.00 0.00 H new ATOM 0 HA GLU A 31 59.436 -2.105 3.106 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.429 -0.786 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.327 -0.237 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.605 -2.544 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.927 -3.197 1.641 1.00 0.00 H new ATOM 460 N VAL A 32 60.811 -2.667 0.959 1.00 0.00 N ATOM 461 CA VAL A 32 61.879 -3.010 0.023 1.00 0.00 C ATOM 462 C VAL A 32 61.280 -3.717 -1.194 1.00 0.00 C ATOM 463 O VAL A 32 60.663 -4.774 -1.066 1.00 0.00 O ATOM 464 CB VAL A 32 62.920 -3.899 0.720 1.00 0.00 C ATOM 465 CG1 VAL A 32 62.246 -5.103 1.399 1.00 0.00 C ATOM 466 CG2 VAL A 32 63.944 -4.386 -0.307 1.00 0.00 C ATOM 0 H VAL A 32 60.159 -3.429 1.148 1.00 0.00 H new ATOM 0 HA VAL A 32 62.380 -2.102 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 32 63.422 -3.311 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 32 63.004 -5.717 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 32 61.533 -4.749 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 32 61.723 -5.697 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 32 64.683 -5.017 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 32 63.437 -4.960 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 32 64.443 -3.528 -0.758 1.00 0.00 H new ATOM 476 N ALA A 33 61.444 -3.104 -2.368 1.00 0.00 N ATOM 477 CA ALA A 33 60.895 -3.659 -3.612 1.00 0.00 C ATOM 478 C ALA A 33 61.990 -4.152 -4.554 1.00 0.00 C ATOM 479 O ALA A 33 61.851 -5.205 -5.179 1.00 0.00 O ATOM 480 CB ALA A 33 60.068 -2.585 -4.323 1.00 0.00 C ATOM 0 H ALA A 33 61.950 -2.226 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 33 60.273 -4.514 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.659 -2.993 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 33 59.252 -2.266 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.704 -1.730 -4.554 1.00 0.00 H new ATOM 486 N ALA A 34 63.061 -3.380 -4.673 1.00 0.00 N ATOM 487 CA ALA A 34 64.156 -3.754 -5.569 1.00 0.00 C ATOM 488 C ALA A 34 65.380 -2.889 -5.311 1.00 0.00 C ATOM 489 O ALA A 34 65.299 -1.666 -5.366 1.00 0.00 O ATOM 490 CB ALA A 34 63.711 -3.587 -7.023 1.00 0.00 C ATOM 0 H ALA A 34 63.199 -2.503 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 34 64.417 -4.795 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.528 -3.866 -7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.851 -4.228 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.436 -2.548 -7.202 1.00 0.00 H new ATOM 496 N HIS A 35 66.514 -3.517 -5.024 1.00 0.00 N ATOM 497 CA HIS A 35 67.735 -2.762 -4.755 1.00 0.00 C ATOM 498 C HIS A 35 68.974 -3.518 -5.223 1.00 0.00 C ATOM 499 O HIS A 35 69.151 -4.695 -4.911 1.00 0.00 O ATOM 500 CB HIS A 35 67.831 -2.498 -3.251 1.00 0.00 C ATOM 501 CG HIS A 35 66.709 -1.584 -2.832 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.384 -2.000 -2.775 1.00 0.00 N ATOM 503 CD2 HIS A 35 66.702 -0.265 -2.457 1.00 0.00 C ATOM 504 CE1 HIS A 35 64.646 -0.944 -2.382 1.00 0.00 C ATOM 505 NE2 HIS A 35 65.400 0.137 -2.174 1.00 0.00 N ATOM 0 H HIS A 35 66.615 -4.531 -4.972 1.00 0.00 H new ATOM 0 HA HIS A 35 67.691 -1.822 -5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 35 67.774 -3.437 -2.701 1.00 0.00 H new ATOM 0 HB3 HIS A 35 68.793 -2.045 -3.010 1.00 0.00 H new ATOM 0 HD1 HIS A 35 65.035 -2.934 -2.991 1.00 0.00 H new ATOM 0 HD2 HIS A 35 67.575 0.367 -2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 35 63.574 -0.969 -2.251 1.00 0.00 H new ATOM 513 N THR A 36 69.847 -2.825 -5.963 1.00 0.00 N ATOM 514 CA THR A 36 71.086 -3.433 -6.456 1.00 0.00 C ATOM 515 C THR A 36 72.274 -2.569 -6.043 1.00 0.00 C ATOM 516 O THR A 36 72.311 -1.384 -6.333 1.00 0.00 O ATOM 517 CB THR A 36 71.039 -3.567 -7.981 1.00 0.00 C ATOM 518 OG1 THR A 36 69.839 -4.228 -8.359 1.00 0.00 O ATOM 519 CG2 THR A 36 72.237 -4.391 -8.456 1.00 0.00 C ATOM 0 H THR A 36 69.719 -1.849 -6.232 1.00 0.00 H new ATOM 0 HA THR A 36 71.195 -4.428 -6.023 1.00 0.00 H new ATOM 0 HB THR A 36 71.072 -2.576 -8.434 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.806 -4.313 -9.335 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.205 -4.487 -9.541 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.161 -3.892 -8.163 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.200 -5.382 -8.003 1.00 0.00 H new ATOM 527 N TRP A 37 73.247 -3.185 -5.378 1.00 0.00 N ATOM 528 CA TRP A 37 74.454 -2.479 -4.921 1.00 0.00 C ATOM 529 C TRP A 37 75.674 -3.045 -5.637 1.00 0.00 C ATOM 530 O TRP A 37 75.926 -4.243 -5.568 1.00 0.00 O ATOM 531 CB TRP A 37 74.610 -2.679 -3.399 1.00 0.00 C ATOM 532 CG TRP A 37 75.456 -1.598 -2.778 1.00 0.00 C ATOM 533 CD1 TRP A 37 76.619 -1.107 -3.276 1.00 0.00 C ATOM 534 CD2 TRP A 37 75.225 -0.892 -1.525 1.00 0.00 C ATOM 535 NE1 TRP A 37 77.106 -0.147 -2.408 1.00 0.00 N ATOM 536 CE2 TRP A 37 76.285 0.022 -1.314 1.00 0.00 C ATOM 537 CE3 TRP A 37 74.207 -0.957 -0.559 1.00 0.00 C ATOM 538 CZ2 TRP A 37 76.332 0.844 -0.187 1.00 0.00 C ATOM 539 CZ3 TRP A 37 74.249 -0.135 0.574 1.00 0.00 C ATOM 540 CH2 TRP A 37 75.309 0.763 0.764 1.00 0.00 C ATOM 0 H TRP A 37 73.229 -4.177 -5.140 1.00 0.00 H new ATOM 0 HA TRP A 37 74.366 -1.416 -5.144 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.626 -2.685 -2.930 1.00 0.00 H new ATOM 0 HB3 TRP A 37 75.062 -3.652 -3.204 1.00 0.00 H new ATOM 0 HD1 TRP A 37 77.087 -1.415 -4.199 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.970 0.374 -2.559 1.00 0.00 H new ATOM 0 HE3 TRP A 37 73.386 -1.646 -0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 77.150 1.536 -0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 73.458 -0.193 1.307 1.00 0.00 H new ATOM 0 HH2 TRP A 37 75.336 1.391 1.642 1.00 0.00 H new ATOM 551 N LEU A 38 76.432 -2.190 -6.324 1.00 0.00 N ATOM 552 CA LEU A 38 77.631 -2.645 -7.030 1.00 0.00 C ATOM 553 C LEU A 38 78.757 -1.622 -6.909 1.00 0.00 C ATOM 554 O LEU A 38 78.729 -0.569 -7.542 1.00 0.00 O ATOM 555 CB LEU A 38 77.338 -2.872 -8.520 1.00 0.00 C ATOM 556 CG LEU A 38 76.352 -4.039 -8.704 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.917 -4.110 -10.177 1.00 0.00 C ATOM 558 CD2 LEU A 38 77.019 -5.371 -8.313 1.00 0.00 C ATOM 0 H LEU A 38 76.241 -1.191 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 38 77.938 -3.584 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.922 -1.964 -8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 38 78.266 -3.085 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 38 75.486 -3.872 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.218 -4.936 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.432 -3.175 -10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.792 -4.269 -10.807 1.00 0.00 H new ATOM 0 HD21 LEU A 38 76.309 -6.187 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.891 -5.540 -8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 38 77.329 -5.330 -7.269 1.00 0.00 H new ATOM 570 N LEU A 39 79.771 -1.962 -6.119 1.00 0.00 N ATOM 571 CA LEU A 39 80.935 -1.096 -5.959 1.00 0.00 C ATOM 572 C LEU A 39 81.903 -1.602 -7.005 1.00 0.00 C ATOM 573 O LEU A 39 81.620 -1.505 -8.200 1.00 0.00 O ATOM 574 CB LEU A 39 81.516 -1.197 -4.515 1.00 0.00 C ATOM 575 CG LEU A 39 81.019 -2.466 -3.810 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.622 -3.703 -4.483 1.00 0.00 C ATOM 577 CD2 LEU A 39 81.430 -2.444 -2.325 1.00 0.00 C ATOM 0 H LEU A 39 79.811 -2.828 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 39 80.706 -0.039 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.605 -1.203 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 39 81.224 -0.319 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 39 79.932 -2.503 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 39 81.266 -4.601 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.320 -3.731 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.709 -3.658 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 39 81.072 -3.349 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 39 82.516 -2.395 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.993 -1.571 -1.839 1.00 0.00 H new ATOM 589 N ASP A 40 82.971 -2.248 -6.590 1.00 0.00 N ATOM 590 CA ASP A 40 83.833 -2.861 -7.559 1.00 0.00 C ATOM 591 C ASP A 40 82.934 -3.909 -8.234 1.00 0.00 C ATOM 592 O ASP A 40 81.847 -4.172 -7.732 1.00 0.00 O ATOM 593 CB ASP A 40 85.051 -3.500 -6.871 1.00 0.00 C ATOM 594 CG ASP A 40 86.078 -3.929 -7.910 1.00 0.00 C ATOM 595 OD1 ASP A 40 85.831 -3.704 -9.083 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 87.101 -4.470 -7.517 1.00 0.00 O ATOM 0 H ASP A 40 83.253 -2.358 -5.616 1.00 0.00 H new ATOM 0 HA ASP A 40 84.248 -2.155 -8.279 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.500 -2.789 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.735 -4.362 -6.284 1.00 0.00 H new ATOM 601 N ASP A 41 83.313 -4.431 -9.374 1.00 0.00 N ATOM 602 CA ASP A 41 82.443 -5.367 -10.103 1.00 0.00 C ATOM 603 C ASP A 41 82.179 -6.679 -9.351 1.00 0.00 C ATOM 604 O ASP A 41 82.258 -7.756 -9.934 1.00 0.00 O ATOM 605 CB ASP A 41 83.097 -5.700 -11.447 1.00 0.00 C ATOM 606 CG ASP A 41 82.177 -6.565 -12.312 1.00 0.00 C ATOM 607 OD1 ASP A 41 81.132 -6.966 -11.829 1.00 0.00 O ATOM 608 OD2 ASP A 41 82.538 -6.811 -13.450 1.00 0.00 O1- ATOM 0 H ASP A 41 84.206 -4.237 -9.827 1.00 0.00 H new ATOM 0 HA ASP A 41 81.480 -4.871 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.336 -4.778 -11.976 1.00 0.00 H new ATOM 0 HB3 ASP A 41 84.038 -6.223 -11.277 1.00 0.00 H new ATOM 613 N GLU A 42 81.825 -6.587 -8.063 1.00 0.00 N ATOM 614 CA GLU A 42 81.506 -7.786 -7.268 1.00 0.00 C ATOM 615 C GLU A 42 80.254 -7.505 -6.407 1.00 0.00 C ATOM 616 O GLU A 42 80.129 -6.407 -5.867 1.00 0.00 O ATOM 617 CB GLU A 42 82.704 -8.150 -6.358 1.00 0.00 C ATOM 618 CG GLU A 42 83.722 -9.007 -7.132 1.00 0.00 C ATOM 619 CD GLU A 42 85.056 -9.050 -6.386 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.085 -9.596 -5.293 1.00 0.00 O ATOM 621 OE2 GLU A 42 86.029 -8.542 -6.920 1.00 0.00 O1- ATOM 0 H GLU A 42 81.752 -5.708 -7.551 1.00 0.00 H new ATOM 0 HA GLU A 42 81.307 -8.624 -7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.184 -7.241 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.352 -8.694 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.335 -10.018 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 42 83.869 -8.596 -8.131 1.00 0.00 H new ATOM 628 N PRO A 43 79.326 -8.444 -6.250 1.00 0.00 N ATOM 629 CA PRO A 43 78.117 -8.185 -5.413 1.00 0.00 C ATOM 630 C PRO A 43 78.558 -7.852 -3.993 1.00 0.00 C ATOM 631 O PRO A 43 79.551 -8.394 -3.507 1.00 0.00 O ATOM 632 CB PRO A 43 77.285 -9.491 -5.450 1.00 0.00 C ATOM 633 CG PRO A 43 78.037 -10.478 -6.316 1.00 0.00 C ATOM 634 CD PRO A 43 79.325 -9.797 -6.836 1.00 0.00 C ATOM 0 HA PRO A 43 77.526 -7.345 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.148 -9.888 -4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.291 -9.302 -5.856 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.286 -11.371 -5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.415 -10.799 -7.152 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.212 -10.355 -6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.332 -9.752 -7.925 1.00 0.00 H new ATOM 642 N VAL A 44 77.862 -6.926 -3.347 1.00 0.00 N ATOM 643 CA VAL A 44 78.256 -6.505 -2.007 1.00 0.00 C ATOM 644 C VAL A 44 77.656 -7.363 -0.905 1.00 0.00 C ATOM 645 O VAL A 44 76.645 -7.008 -0.299 1.00 0.00 O ATOM 646 CB VAL A 44 77.816 -5.061 -1.793 1.00 0.00 C ATOM 647 CG1 VAL A 44 78.576 -4.460 -0.602 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.095 -4.254 -3.058 1.00 0.00 C ATOM 0 H VAL A 44 77.036 -6.458 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 44 79.339 -6.612 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 44 76.748 -5.031 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 44 78.259 -3.428 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 44 78.362 -5.040 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 44 79.647 -4.485 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 44 77.781 -3.221 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 44 79.162 -4.280 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 44 77.541 -4.683 -3.893 1.00 0.00 H new ATOM 658 N ARG A 45 78.330 -8.459 -0.614 1.00 0.00 N ATOM 659 CA ARG A 45 77.941 -9.351 0.460 1.00 0.00 C ATOM 660 C ARG A 45 79.198 -10.001 0.993 1.00 0.00 C ATOM 661 O ARG A 45 79.748 -9.567 1.985 1.00 0.00 O ATOM 662 CB ARG A 45 76.919 -10.385 -0.015 1.00 0.00 C ATOM 663 CG ARG A 45 75.568 -9.682 -0.199 1.00 0.00 C ATOM 664 CD ARG A 45 74.491 -10.704 -0.504 1.00 0.00 C ATOM 665 NE ARG A 45 73.200 -10.035 -0.615 1.00 0.00 N ATOM 666 CZ ARG A 45 72.779 -9.516 -1.764 1.00 0.00 C ATOM 667 NH1 ARG A 45 72.267 -10.290 -2.680 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 72.884 -8.232 -1.977 1.00 0.00 N ATOM 0 H ARG A 45 79.166 -8.756 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 45 77.449 -8.792 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 45 77.243 -10.835 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 45 76.830 -11.192 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 45 75.311 -9.128 0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 45 75.633 -8.957 -1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.723 -11.226 -1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.456 -11.456 0.284 1.00 0.00 H new ATOM 0 HE ARG A 45 72.605 -9.963 0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 45 72.190 -11.294 -2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 45 71.944 -9.892 -3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 45 73.289 -7.628 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 45 72.561 -7.833 -2.859 1.00 0.00 H new ATOM 682 N THR A 46 79.657 -11.025 0.307 1.00 0.00 N ATOM 683 CA THR A 46 80.883 -11.710 0.705 1.00 0.00 C ATOM 684 C THR A 46 80.827 -12.119 2.178 1.00 0.00 C ATOM 685 O THR A 46 79.893 -12.806 2.594 1.00 0.00 O ATOM 686 CB THR A 46 82.089 -10.795 0.453 1.00 0.00 C ATOM 687 OG1 THR A 46 82.209 -9.859 1.516 1.00 0.00 O ATOM 688 CG2 THR A 46 81.904 -10.045 -0.867 1.00 0.00 C ATOM 0 H THR A 46 79.208 -11.406 -0.526 1.00 0.00 H new ATOM 0 HA THR A 46 80.986 -12.616 0.108 1.00 0.00 H new ATOM 0 HB THR A 46 82.993 -11.402 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.336 -9.737 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.763 -9.397 -1.041 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.819 -10.762 -1.684 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.998 -9.441 -0.818 1.00 0.00 H new ATOM 696 N SER A 47 81.834 -11.723 2.975 1.00 0.00 N ATOM 697 CA SER A 47 81.869 -12.098 4.399 1.00 0.00 C ATOM 698 C SER A 47 82.266 -10.921 5.299 1.00 0.00 C ATOM 699 O SER A 47 81.906 -9.784 5.045 1.00 0.00 O ATOM 700 CB SER A 47 82.867 -13.236 4.591 1.00 0.00 C ATOM 701 OG SER A 47 82.579 -13.903 5.811 1.00 0.00 O ATOM 0 H SER A 47 82.621 -11.154 2.665 1.00 0.00 H new ATOM 0 HA SER A 47 80.865 -12.410 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.806 -13.935 3.757 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.885 -12.846 4.607 1.00 0.00 H new ATOM 0 HG SER A 47 83.408 -14.029 6.318 1.00 0.00 H new ATOM 707 N GLU A 48 82.984 -11.202 6.378 1.00 0.00 N ATOM 708 CA GLU A 48 83.376 -10.137 7.304 1.00 0.00 C ATOM 709 C GLU A 48 84.120 -9.011 6.573 1.00 0.00 C ATOM 710 O GLU A 48 83.873 -7.832 6.828 1.00 0.00 O ATOM 711 CB GLU A 48 84.263 -10.696 8.427 1.00 0.00 C ATOM 712 CG GLU A 48 83.455 -11.645 9.334 1.00 0.00 C ATOM 713 CD GLU A 48 83.418 -13.054 8.745 1.00 0.00 C ATOM 714 OE1 GLU A 48 83.908 -13.226 7.642 1.00 0.00 O ATOM 715 OE2 GLU A 48 82.915 -13.943 9.413 1.00 0.00 O1- ATOM 0 H GLU A 48 83.303 -12.136 6.634 1.00 0.00 H new ATOM 0 HA GLU A 48 82.464 -9.727 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 48 85.111 -11.229 7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.669 -9.876 9.019 1.00 0.00 H new ATOM 0 HG2 GLU A 48 83.901 -11.673 10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 48 82.439 -11.267 9.450 1.00 0.00 H new ATOM 722 N ASN A 49 85.051 -9.376 5.695 1.00 0.00 N ATOM 723 CA ASN A 49 85.844 -8.373 4.968 1.00 0.00 C ATOM 724 C ASN A 49 84.963 -7.477 4.091 1.00 0.00 C ATOM 725 O ASN A 49 85.469 -6.613 3.370 1.00 0.00 O ATOM 726 CB ASN A 49 86.907 -9.055 4.096 1.00 0.00 C ATOM 727 CG ASN A 49 86.251 -9.920 3.024 1.00 0.00 C ATOM 728 OD1 ASN A 49 85.047 -9.820 2.793 1.00 0.00 O ATOM 729 ND2 ASN A 49 86.981 -10.772 2.355 1.00 0.00 N ATOM 0 H ASN A 49 85.277 -10.344 5.468 1.00 0.00 H new ATOM 0 HA ASN A 49 86.331 -7.747 5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.538 -8.300 3.626 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.556 -9.670 4.719 1.00 0.00 H new ATOM 0 HD21 ASN A 49 86.553 -11.358 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 49 87.979 -10.852 2.550 1.00 0.00 H new ATOM 736 N ALA A 50 83.652 -7.675 4.162 1.00 0.00 N ATOM 737 CA ALA A 50 82.710 -6.873 3.376 1.00 0.00 C ATOM 738 C ALA A 50 81.320 -7.484 3.470 1.00 0.00 C ATOM 739 O ALA A 50 81.183 -8.689 3.357 1.00 0.00 O ATOM 740 CB ALA A 50 83.157 -6.830 1.907 1.00 0.00 C ATOM 0 H ALA A 50 83.214 -8.381 4.753 1.00 0.00 H new ATOM 0 HA ALA A 50 82.688 -5.857 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.452 -6.232 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.150 -6.384 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.187 -7.843 1.506 1.00 0.00 H new ATOM 746 N GLU A 51 80.293 -6.651 3.649 1.00 0.00 N ATOM 747 CA GLU A 51 78.922 -7.162 3.733 1.00 0.00 C ATOM 748 C GLU A 51 77.918 -6.034 3.960 1.00 0.00 C ATOM 749 O GLU A 51 78.214 -5.083 4.684 1.00 0.00 O ATOM 750 CB GLU A 51 78.808 -8.155 4.890 1.00 0.00 C ATOM 751 CG GLU A 51 79.476 -7.566 6.130 1.00 0.00 C ATOM 752 CD GLU A 51 79.294 -8.512 7.312 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.545 -9.463 7.172 1.00 0.00 O ATOM 754 OE2 GLU A 51 79.906 -8.274 8.338 1.00 0.00 O1- ATOM 0 H GLU A 51 80.380 -5.639 3.737 1.00 0.00 H new ATOM 0 HA GLU A 51 78.695 -7.651 2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 51 77.760 -8.372 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.282 -9.099 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.537 -7.405 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.042 -6.593 6.361 1.00 0.00 H new ATOM 761 N VAL A 52 76.722 -6.131 3.357 1.00 0.00 N ATOM 762 CA VAL A 52 75.704 -5.094 3.534 1.00 0.00 C ATOM 763 C VAL A 52 74.782 -5.440 4.700 1.00 0.00 C ATOM 764 O VAL A 52 74.435 -6.601 4.910 1.00 0.00 O ATOM 765 CB VAL A 52 74.863 -4.981 2.257 1.00 0.00 C ATOM 766 CG1 VAL A 52 73.826 -3.859 2.409 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.773 -4.685 1.054 1.00 0.00 C ATOM 0 H VAL A 52 76.443 -6.905 2.753 1.00 0.00 H new ATOM 0 HA VAL A 52 76.206 -4.149 3.742 1.00 0.00 H new ATOM 0 HB VAL A 52 74.346 -5.926 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.233 -3.786 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.171 -4.081 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.337 -2.913 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.168 -4.606 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.301 -3.746 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.496 -5.492 0.937 1.00 0.00 H new ATOM 777 N VAL A 53 74.359 -4.413 5.424 1.00 0.00 N ATOM 778 CA VAL A 53 73.436 -4.592 6.544 1.00 0.00 C ATOM 779 C VAL A 53 72.552 -3.370 6.676 1.00 0.00 C ATOM 780 O VAL A 53 72.955 -2.271 6.308 1.00 0.00 O ATOM 781 CB VAL A 53 74.204 -4.802 7.844 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.004 -6.103 7.752 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.149 -3.615 8.064 1.00 0.00 C ATOM 0 H VAL A 53 74.638 -3.446 5.258 1.00 0.00 H new ATOM 0 HA VAL A 53 72.823 -5.472 6.350 1.00 0.00 H new ATOM 0 HB VAL A 53 73.511 -4.869 8.683 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.555 -6.258 8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.323 -6.938 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.705 -6.041 6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 53 75.702 -3.758 8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 53 75.849 -3.548 7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 53 74.569 -2.694 8.125 1.00 0.00 H new ATOM 793 N PHE A 54 71.355 -3.553 7.221 1.00 0.00 N ATOM 794 CA PHE A 54 70.434 -2.432 7.414 1.00 0.00 C ATOM 795 C PHE A 54 69.788 -2.513 8.789 1.00 0.00 C ATOM 796 O PHE A 54 70.077 -3.418 9.573 1.00 0.00 O ATOM 797 CB PHE A 54 69.364 -2.387 6.307 1.00 0.00 C ATOM 798 CG PHE A 54 68.507 -3.628 6.307 1.00 0.00 C ATOM 799 CD1 PHE A 54 67.370 -3.688 7.124 1.00 0.00 C ATOM 800 CD2 PHE A 54 68.830 -4.707 5.476 1.00 0.00 C ATOM 801 CE1 PHE A 54 66.558 -4.830 7.112 1.00 0.00 C ATOM 802 CE2 PHE A 54 68.014 -5.846 5.462 1.00 0.00 C ATOM 803 CZ PHE A 54 66.880 -5.908 6.281 1.00 0.00 C ATOM 0 H PHE A 54 70.999 -4.456 7.535 1.00 0.00 H new ATOM 0 HA PHE A 54 71.008 -1.507 7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.733 -1.509 6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 54 69.849 -2.280 5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 54 67.120 -2.854 7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 54 69.707 -4.662 4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 54 65.684 -4.878 7.744 1.00 0.00 H new ATOM 0 HE2 PHE A 54 68.260 -6.678 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.254 -6.788 6.271 1.00 0.00 H new ATOM 813 N PHE A 55 68.919 -1.557 9.073 1.00 0.00 N ATOM 814 CA PHE A 55 68.232 -1.496 10.353 1.00 0.00 C ATOM 815 C PHE A 55 66.983 -0.638 10.195 1.00 0.00 C ATOM 816 O PHE A 55 66.757 -0.067 9.128 1.00 0.00 O ATOM 817 CB PHE A 55 69.141 -0.868 11.416 1.00 0.00 C ATOM 818 CG PHE A 55 70.426 -1.656 11.535 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.462 -2.825 12.303 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.586 -1.209 10.886 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.654 -3.547 12.421 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.777 -1.932 11.005 1.00 0.00 C ATOM 823 CZ PHE A 55 72.813 -3.102 11.772 1.00 0.00 C ATOM 0 H PHE A 55 68.671 -0.806 8.428 1.00 0.00 H new ATOM 0 HA PHE A 55 67.966 -2.505 10.668 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.363 0.166 11.151 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.628 -0.847 12.378 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.570 -3.170 12.804 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.559 -0.306 10.294 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.681 -4.449 13.014 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.670 -1.587 10.505 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.733 -3.661 11.863 1.00 0.00 H new ATOM 833 N GLU A 56 66.186 -0.535 11.253 1.00 0.00 N ATOM 834 CA GLU A 56 64.975 0.280 11.209 1.00 0.00 C ATOM 835 C GLU A 56 64.037 -0.180 10.098 1.00 0.00 C ATOM 836 O GLU A 56 63.368 0.634 9.466 1.00 0.00 O ATOM 837 CB GLU A 56 65.339 1.750 10.993 1.00 0.00 C ATOM 838 CG GLU A 56 66.071 2.279 12.223 1.00 0.00 C ATOM 839 CD GLU A 56 66.478 3.729 11.994 1.00 0.00 C ATOM 840 OE1 GLU A 56 66.963 4.021 10.914 1.00 0.00 O1- ATOM 841 OE2 GLU A 56 66.300 4.524 12.904 1.00 0.00 O ATOM 0 H GLU A 56 66.353 -1.001 12.145 1.00 0.00 H new ATOM 0 HA GLU A 56 64.461 0.165 12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.969 1.854 10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 64.438 2.336 10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.428 2.206 13.100 1.00 0.00 H new ATOM 0 HG3 GLU A 56 66.953 1.671 12.423 1.00 0.00 H new ATOM 848 N ASN A 57 64.010 -1.484 9.872 1.00 0.00 N ATOM 849 CA ASN A 57 63.162 -2.072 8.837 1.00 0.00 C ATOM 850 C ASN A 57 63.584 -1.608 7.441 1.00 0.00 C ATOM 851 O ASN A 57 62.752 -1.452 6.549 1.00 0.00 O ATOM 852 CB ASN A 57 61.694 -1.706 9.079 1.00 0.00 C ATOM 853 CG ASN A 57 61.308 -2.010 10.523 1.00 0.00 C ATOM 854 OD1 ASN A 57 61.762 -3.002 11.098 1.00 0.00 O ATOM 855 ND2 ASN A 57 60.486 -1.209 11.147 1.00 0.00 N ATOM 0 H ASN A 57 64.567 -2.162 10.392 1.00 0.00 H new ATOM 0 HA ASN A 57 63.279 -3.154 8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.535 -0.649 8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.054 -2.267 8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 57 60.218 -1.403 12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 57 60.112 -0.389 10.669 1.00 0.00 H new ATOM 862 N GLY A 58 64.889 -1.444 7.256 1.00 0.00 N ATOM 863 CA GLY A 58 65.434 -1.054 5.955 1.00 0.00 C ATOM 864 C GLY A 58 65.349 0.449 5.680 1.00 0.00 C ATOM 865 O GLY A 58 65.448 0.870 4.530 1.00 0.00 O ATOM 0 H GLY A 58 65.590 -1.574 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.477 -1.367 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 58 64.898 -1.589 5.171 1.00 0.00 H new ATOM 869 N LEU A 59 65.192 1.262 6.721 1.00 0.00 N ATOM 870 CA LEU A 59 65.132 2.714 6.527 1.00 0.00 C ATOM 871 C LEU A 59 66.539 3.283 6.508 1.00 0.00 C ATOM 872 O LEU A 59 66.757 4.444 6.151 1.00 0.00 O ATOM 873 CB LEU A 59 64.343 3.376 7.654 1.00 0.00 C ATOM 874 CG LEU A 59 62.865 2.976 7.590 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.167 3.522 8.836 1.00 0.00 C ATOM 876 CD2 LEU A 59 62.196 3.559 6.331 1.00 0.00 C ATOM 0 H LEU A 59 65.105 0.953 7.689 1.00 0.00 H new ATOM 0 HA LEU A 59 64.633 2.915 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 59 64.762 3.085 8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 59 64.435 4.460 7.581 1.00 0.00 H new ATOM 0 HG LEU A 59 62.785 1.890 7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 59 61.112 3.249 8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.631 3.099 9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.260 4.608 8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 59 61.147 3.263 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.265 4.647 6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 59 62.701 3.181 5.442 1.00 0.00 H new ATOM 888 N ARG A 60 67.495 2.444 6.892 1.00 0.00 N ATOM 889 CA ARG A 60 68.899 2.836 6.921 1.00 0.00 C ATOM 890 C ARG A 60 69.727 1.789 6.191 1.00 0.00 C ATOM 891 O ARG A 60 69.557 0.593 6.398 1.00 0.00 O ATOM 892 CB ARG A 60 69.382 2.963 8.366 1.00 0.00 C ATOM 893 CG ARG A 60 70.780 3.580 8.377 1.00 0.00 C ATOM 894 CD ARG A 60 71.313 3.610 9.808 1.00 0.00 C ATOM 895 NE ARG A 60 70.503 4.508 10.622 1.00 0.00 N ATOM 896 CZ ARG A 60 70.757 4.686 11.913 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.451 3.800 12.571 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 70.312 5.751 12.522 1.00 0.00 N ATOM 0 H ARG A 60 67.322 1.484 7.189 1.00 0.00 H new ATOM 0 HA ARG A 60 69.013 3.802 6.429 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.693 3.584 8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 60 69.400 1.983 8.843 1.00 0.00 H new ATOM 0 HG2 ARG A 60 71.449 3.001 7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 60 70.746 4.590 7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 60 71.296 2.606 10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 60 72.352 3.940 9.811 1.00 0.00 H new ATOM 0 HE ARG A 60 69.726 5.009 10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 60 71.800 2.969 12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.645 3.938 13.563 1.00 0.00 H new ATOM 0 HH21 ARG A 60 69.770 6.445 12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 60 70.506 5.890 13.514 1.00 0.00 H new ATOM 912 N HIS A 61 70.638 2.255 5.348 1.00 0.00 N ATOM 913 CA HIS A 61 71.516 1.366 4.585 1.00 0.00 C ATOM 914 C HIS A 61 72.966 1.615 4.976 1.00 0.00 C ATOM 915 O HIS A 61 73.561 2.614 4.576 1.00 0.00 O ATOM 916 CB HIS A 61 71.334 1.619 3.079 1.00 0.00 C ATOM 917 CG HIS A 61 70.130 0.869 2.568 1.00 0.00 C ATOM 918 ND1 HIS A 61 68.847 1.364 2.698 1.00 0.00 N ATOM 919 CD2 HIS A 61 70.005 -0.341 1.927 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.010 0.467 2.148 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.665 -0.592 1.664 1.00 0.00 N ATOM 0 H HIS A 61 70.792 3.248 5.172 1.00 0.00 H new ATOM 0 HA HIS A 61 71.257 0.331 4.808 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.212 2.686 2.894 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.226 1.301 2.539 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.824 -0.996 1.668 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.938 0.588 2.103 1.00 0.00 H new ATOM 0 HE2 HIS A 61 68.267 -1.409 1.201 1.00 0.00 H new ATOM 929 N LEU A 62 73.529 0.707 5.771 1.00 0.00 N ATOM 930 CA LEU A 62 74.914 0.840 6.234 1.00 0.00 C ATOM 931 C LEU A 62 75.762 -0.305 5.676 1.00 0.00 C ATOM 932 O LEU A 62 75.433 -1.477 5.868 1.00 0.00 O ATOM 933 CB LEU A 62 74.921 0.791 7.769 1.00 0.00 C ATOM 934 CG LEU A 62 76.248 1.339 8.347 1.00 0.00 C ATOM 935 CD1 LEU A 62 75.993 1.871 9.760 1.00 0.00 C ATOM 936 CD2 LEU A 62 77.316 0.234 8.417 1.00 0.00 C ATOM 0 H LEU A 62 73.051 -0.128 6.109 1.00 0.00 H new ATOM 0 HA LEU A 62 75.333 1.785 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.086 1.374 8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.774 -0.236 8.102 1.00 0.00 H new ATOM 0 HG LEU A 62 76.610 2.134 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 62 76.923 2.259 10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.252 2.669 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.623 1.063 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.239 0.645 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.963 -0.574 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 62 77.505 -0.154 7.416 1.00 0.00 H new ATOM 948 N LEU A 63 76.853 0.043 4.988 1.00 0.00 N ATOM 949 CA LEU A 63 77.756 -0.962 4.400 1.00 0.00 C ATOM 950 C LEU A 63 79.138 -0.871 5.037 1.00 0.00 C ATOM 951 O LEU A 63 79.799 0.166 4.941 1.00 0.00 O ATOM 952 CB LEU A 63 77.867 -0.735 2.882 1.00 0.00 C ATOM 953 CG LEU A 63 79.048 -1.530 2.290 1.00 0.00 C ATOM 954 CD1 LEU A 63 78.877 -3.021 2.585 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.093 -1.314 0.779 1.00 0.00 C ATOM 0 H LEU A 63 77.136 1.009 4.822 1.00 0.00 H new ATOM 0 HA LEU A 63 77.348 -1.955 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.940 -1.039 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.000 0.327 2.678 1.00 0.00 H new ATOM 0 HG LEU A 63 79.977 -1.182 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.716 -3.574 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.845 -3.177 3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.948 -3.376 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.927 -1.874 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.160 -1.660 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.224 -0.253 0.567 1.00 0.00 H new ATOM 967 N LEU A 64 79.564 -1.944 5.706 1.00 0.00 N ATOM 968 CA LEU A 64 80.862 -1.969 6.388 1.00 0.00 C ATOM 969 C LEU A 64 81.917 -2.783 5.629 1.00 0.00 C ATOM 970 O LEU A 64 81.678 -3.926 5.238 1.00 0.00 O ATOM 971 CB LEU A 64 80.650 -2.621 7.763 1.00 0.00 C ATOM 972 CG LEU A 64 81.977 -2.740 8.535 1.00 0.00 C ATOM 973 CD1 LEU A 64 82.605 -1.354 8.745 1.00 0.00 C ATOM 974 CD2 LEU A 64 81.708 -3.395 9.893 1.00 0.00 C ATOM 0 H LEU A 64 79.029 -2.809 5.791 1.00 0.00 H new ATOM 0 HA LEU A 64 81.228 -0.945 6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.941 -2.030 8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.211 -3.610 7.635 1.00 0.00 H new ATOM 0 HG LEU A 64 82.672 -3.350 7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 64 83.542 -1.458 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 64 82.800 -0.892 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.920 -0.727 9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 64 82.643 -3.483 10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.007 -2.782 10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.282 -4.387 9.741 1.00 0.00 H new ATOM 986 N LEU A 65 83.112 -2.195 5.494 1.00 0.00 N ATOM 987 CA LEU A 65 84.256 -2.867 4.861 1.00 0.00 C ATOM 988 C LEU A 65 85.307 -3.133 5.945 1.00 0.00 C ATOM 989 O LEU A 65 85.126 -2.708 7.087 1.00 0.00 O ATOM 990 CB LEU A 65 84.847 -2.005 3.740 1.00 0.00 C ATOM 991 CG LEU A 65 83.764 -1.708 2.688 1.00 0.00 C ATOM 992 CD1 LEU A 65 84.343 -0.801 1.595 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.266 -3.020 2.049 1.00 0.00 C ATOM 0 H LEU A 65 83.313 -1.249 5.817 1.00 0.00 H new ATOM 0 HA LEU A 65 83.931 -3.805 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 65 85.234 -1.072 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.687 -2.521 3.275 1.00 0.00 H new ATOM 0 HG LEU A 65 82.927 -1.209 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.574 -0.592 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 65 84.681 0.135 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 65 85.185 -1.300 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.500 -2.795 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.100 -3.529 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.845 -3.664 2.821 1.00 0.00 H new ATOM 1005 N LYS A 66 86.414 -3.793 5.596 1.00 0.00 N ATOM 1006 CA LYS A 66 87.474 -4.077 6.576 1.00 0.00 C ATOM 1007 C LYS A 66 88.801 -4.345 5.842 1.00 0.00 C ATOM 1008 O LYS A 66 88.822 -4.443 4.617 1.00 0.00 O ATOM 1009 CB LYS A 66 87.062 -5.293 7.456 1.00 0.00 C ATOM 1010 CG LYS A 66 86.730 -4.846 8.894 1.00 0.00 C ATOM 1011 CD LYS A 66 86.137 -6.021 9.690 1.00 0.00 C ATOM 1012 CE LYS A 66 87.212 -7.068 9.988 1.00 0.00 C ATOM 1013 NZ LYS A 66 86.724 -7.965 11.072 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.602 -4.139 4.655 1.00 0.00 H new ATOM 0 HA LYS A 66 87.614 -3.215 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.196 -5.788 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 66 87.871 -6.023 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 66 87.631 -4.481 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 66 86.022 -4.018 8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 66 85.709 -5.656 10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 66 85.325 -6.477 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 66 87.434 -7.647 9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 66 88.139 -6.581 10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 87.448 -8.681 11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 86.533 -7.404 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 85.850 -8.437 10.765 1.00 0.00 H new ATOM 1027 N ASN A 67 89.894 -4.484 6.602 1.00 0.00 N ATOM 1028 CA ASN A 67 91.218 -4.761 6.016 1.00 0.00 C ATOM 1029 C ASN A 67 91.377 -4.037 4.681 1.00 0.00 C ATOM 1030 O ASN A 67 91.809 -4.626 3.692 1.00 0.00 O ATOM 1031 CB ASN A 67 91.400 -6.272 5.817 1.00 0.00 C ATOM 1032 CG ASN A 67 91.537 -6.955 7.176 1.00 0.00 C ATOM 1033 OD1 ASN A 67 91.810 -6.291 8.174 1.00 0.00 O ATOM 1034 ND2 ASN A 67 91.366 -8.247 7.275 1.00 0.00 N ATOM 0 H ASN A 67 89.892 -4.410 7.619 1.00 0.00 H new ATOM 0 HA ASN A 67 91.982 -4.396 6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.547 -6.683 5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 67 92.285 -6.465 5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 67 91.459 -8.706 8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 67 91.140 -8.796 6.446 1.00 0.00 H new ATOM 1041 N LEU A 68 90.982 -2.769 4.649 1.00 0.00 N ATOM 1042 CA LEU A 68 91.035 -1.998 3.413 1.00 0.00 C ATOM 1043 C LEU A 68 92.455 -1.744 2.909 1.00 0.00 C ATOM 1044 O LEU A 68 93.193 -0.932 3.457 1.00 0.00 O ATOM 1045 CB LEU A 68 90.325 -0.657 3.631 1.00 0.00 C ATOM 1046 CG LEU A 68 88.812 -0.900 3.772 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.124 0.358 4.314 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.196 -1.278 2.406 1.00 0.00 C ATOM 0 H LEU A 68 90.625 -2.258 5.456 1.00 0.00 H new ATOM 0 HA LEU A 68 90.536 -2.592 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 68 90.712 -0.169 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.521 0.012 2.793 1.00 0.00 H new ATOM 0 HG LEU A 68 88.660 -1.723 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.054 0.175 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 68 88.538 0.607 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.290 1.188 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.126 -1.446 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.360 -0.467 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.668 -2.187 2.033 1.00 0.00 H new ATOM 1060 N ARG A 69 92.789 -2.417 1.807 1.00 0.00 N ATOM 1061 CA ARG A 69 94.086 -2.259 1.151 1.00 0.00 C ATOM 1062 C ARG A 69 93.940 -1.191 0.079 1.00 0.00 C ATOM 1063 O ARG A 69 92.834 -0.962 -0.407 1.00 0.00 O ATOM 1064 CB ARG A 69 94.489 -3.587 0.480 1.00 0.00 C ATOM 1065 CG ARG A 69 95.042 -4.551 1.527 1.00 0.00 C ATOM 1066 CD ARG A 69 95.476 -5.857 0.861 1.00 0.00 C ATOM 1067 NE ARG A 69 95.914 -6.808 1.879 1.00 0.00 N ATOM 1068 CZ ARG A 69 95.042 -7.420 2.678 1.00 0.00 C ATOM 1069 NH1 ARG A 69 93.764 -7.176 2.570 1.00 0.00 N ATOM 1070 NH2 ARG A 69 95.469 -8.251 3.588 1.00 0.00 N1+ ATOM 0 H ARG A 69 92.170 -3.084 1.346 1.00 0.00 H new ATOM 0 HA ARG A 69 94.846 -1.978 1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 69 93.626 -4.031 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.239 -3.403 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 69 95.889 -4.096 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.283 -4.754 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.649 -6.277 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 69 96.285 -5.666 0.156 1.00 0.00 H new ATOM 0 HE ARG A 69 96.909 -7.008 1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 69 93.429 -6.513 1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 69 93.101 -7.648 3.185 1.00 0.00 H new ATOM 0 HH21 ARG A 69 96.468 -8.430 3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 69 94.804 -8.721 4.202 1.00 0.00 H new ATOM 1084 N PRO A 70 95.002 -0.548 -0.332 1.00 0.00 N ATOM 1085 CA PRO A 70 94.900 0.480 -1.395 1.00 0.00 C ATOM 1086 C PRO A 70 94.110 -0.106 -2.559 1.00 0.00 C ATOM 1087 O PRO A 70 93.385 0.591 -3.268 1.00 0.00 O ATOM 1088 CB PRO A 70 96.364 0.777 -1.799 1.00 0.00 C ATOM 1089 CG PRO A 70 97.238 -0.128 -0.960 1.00 0.00 C ATOM 1090 CD PRO A 70 96.372 -0.706 0.167 1.00 0.00 C ATOM 0 HA PRO A 70 94.390 1.390 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.518 0.588 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.609 1.824 -1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.655 -0.929 -1.570 1.00 0.00 H new ATOM 0 HG3 PRO A 70 98.079 0.429 -0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.610 -1.752 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.522 -0.168 1.103 1.00 0.00 H new ATOM 1098 N GLN A 71 94.272 -1.408 -2.727 1.00 0.00 N ATOM 1099 CA GLN A 71 93.592 -2.135 -3.782 1.00 0.00 C ATOM 1100 C GLN A 71 92.097 -1.861 -3.726 1.00 0.00 C ATOM 1101 O GLN A 71 91.484 -1.525 -4.736 1.00 0.00 O ATOM 1102 CB GLN A 71 93.844 -3.631 -3.589 1.00 0.00 C ATOM 1103 CG GLN A 71 93.182 -4.422 -4.720 1.00 0.00 C ATOM 1104 CD GLN A 71 93.570 -5.890 -4.612 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.092 -6.318 -3.584 1.00 0.00 O ATOM 1106 NE2 GLN A 71 93.354 -6.688 -5.619 1.00 0.00 N ATOM 0 H GLN A 71 94.874 -1.986 -2.140 1.00 0.00 H new ATOM 0 HA GLN A 71 93.972 -1.812 -4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.916 -3.829 -3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.447 -3.954 -2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 71 92.098 -4.317 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 71 93.492 -4.024 -5.686 1.00 0.00 H new ATOM 0 HE21 GLN A 71 92.921 -6.329 -6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 71 93.618 -7.671 -5.556 1.00 0.00 H new ATOM 1115 N ASP A 72 91.506 -2.056 -2.551 1.00 0.00 N ATOM 1116 CA ASP A 72 90.071 -1.884 -2.376 1.00 0.00 C ATOM 1117 C ASP A 72 89.574 -0.568 -2.983 1.00 0.00 C ATOM 1118 O ASP A 72 88.498 -0.546 -3.586 1.00 0.00 O ATOM 1119 CB ASP A 72 89.744 -1.914 -0.869 1.00 0.00 C ATOM 1120 CG ASP A 72 89.638 -3.358 -0.371 1.00 0.00 C ATOM 1121 OD1 ASP A 72 88.675 -4.020 -0.725 1.00 0.00 O ATOM 1122 OD2 ASP A 72 90.524 -3.776 0.358 1.00 0.00 O1- ATOM 0 H ASP A 72 92.002 -2.334 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 72 89.564 -2.697 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.519 -1.387 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.806 -1.390 -0.684 1.00 0.00 H new ATOM 1127 N SER A 73 90.325 0.528 -2.826 1.00 0.00 N ATOM 1128 CA SER A 73 89.904 1.820 -3.371 1.00 0.00 C ATOM 1129 C SER A 73 89.243 1.664 -4.737 1.00 0.00 C ATOM 1130 O SER A 73 89.886 1.280 -5.715 1.00 0.00 O ATOM 1131 CB SER A 73 91.126 2.733 -3.493 1.00 0.00 C ATOM 1132 OG SER A 73 91.917 2.611 -2.318 1.00 0.00 O ATOM 0 H SER A 73 91.217 0.546 -2.332 1.00 0.00 H new ATOM 0 HA SER A 73 89.170 2.256 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.712 2.461 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 73 90.810 3.768 -3.628 1.00 0.00 H new ATOM 0 HG SER A 73 92.701 2.054 -2.508 1.00 0.00 H new ATOM 1138 N CYS A 74 87.950 1.963 -4.788 1.00 0.00 N ATOM 1139 CA CYS A 74 87.199 1.845 -6.035 1.00 0.00 C ATOM 1140 C CYS A 74 85.903 2.663 -5.979 1.00 0.00 C ATOM 1141 O CYS A 74 85.693 3.473 -5.071 1.00 0.00 O ATOM 1142 CB CYS A 74 86.869 0.367 -6.288 1.00 0.00 C ATOM 1143 SG CYS A 74 88.302 -0.466 -7.015 1.00 0.00 S ATOM 0 H CYS A 74 87.403 2.286 -3.990 1.00 0.00 H new ATOM 0 HA CYS A 74 87.811 2.236 -6.848 1.00 0.00 H new ATOM 0 HB2 CYS A 74 86.591 -0.118 -5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 74 86.012 0.286 -6.956 1.00 0.00 H new ATOM 0 HG CYS A 74 89.390 0.142 -6.646 1.00 0.00 H new ATOM 1149 N ARG A 75 85.051 2.437 -6.974 1.00 0.00 N ATOM 1150 CA ARG A 75 83.769 3.131 -7.086 1.00 0.00 C ATOM 1151 C ARG A 75 82.699 2.480 -6.210 1.00 0.00 C ATOM 1152 O ARG A 75 82.606 1.254 -6.151 1.00 0.00 O ATOM 1153 CB ARG A 75 83.271 3.044 -8.530 1.00 0.00 C ATOM 1154 CG ARG A 75 82.064 3.964 -8.708 1.00 0.00 C ATOM 1155 CD ARG A 75 81.449 3.740 -10.083 1.00 0.00 C ATOM 1156 NE ARG A 75 80.710 2.484 -10.104 1.00 0.00 N ATOM 1157 CZ ARG A 75 80.107 2.063 -11.210 1.00 0.00 C ATOM 1158 NH1 ARG A 75 80.140 2.790 -12.290 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 79.474 0.922 -11.212 1.00 0.00 N ATOM 0 H ARG A 75 85.228 1.769 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 75 83.929 4.162 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 75 84.066 3.332 -9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 75 82.997 2.017 -8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.325 3.766 -7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 75 82.368 5.005 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 75 80.783 4.567 -10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 75 82.232 3.723 -10.841 1.00 0.00 H new ATOM 0 HE ARG A 75 80.655 1.920 -9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 75 80.630 3.685 -12.288 1.00 0.00 H new ATOM 0 HH12 ARG A 75 79.676 2.465 -13.138 1.00 0.00 H new ATOM 0 HH21 ARG A 75 79.443 0.355 -10.365 1.00 0.00 H new ATOM 0 HH22 ARG A 75 79.010 0.597 -12.061 1.00 0.00 H new ATOM 1173 N VAL A 76 81.864 3.302 -5.560 1.00 0.00 N ATOM 1174 CA VAL A 76 80.769 2.788 -4.728 1.00 0.00 C ATOM 1175 C VAL A 76 79.427 3.291 -5.257 1.00 0.00 C ATOM 1176 O VAL A 76 79.240 4.494 -5.414 1.00 0.00 O ATOM 1177 CB VAL A 76 80.951 3.251 -3.286 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.785 2.737 -2.431 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.284 2.711 -2.760 1.00 0.00 C ATOM 0 H VAL A 76 81.925 4.320 -5.594 1.00 0.00 H new ATOM 0 HA VAL A 76 80.784 1.699 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 76 80.961 4.340 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.916 3.068 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.846 3.130 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.764 1.648 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.426 3.035 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.277 1.622 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 76 83.099 3.091 -3.376 1.00 0.00 H new ATOM 1189 N THR A 77 78.490 2.371 -5.531 1.00 0.00 N ATOM 1190 CA THR A 77 77.169 2.771 -6.041 1.00 0.00 C ATOM 1191 C THR A 77 76.041 1.964 -5.388 1.00 0.00 C ATOM 1192 O THR A 77 76.157 0.756 -5.187 1.00 0.00 O ATOM 1193 CB THR A 77 77.113 2.585 -7.562 1.00 0.00 C ATOM 1194 OG1 THR A 77 77.282 1.214 -7.879 1.00 0.00 O ATOM 1195 CG2 THR A 77 78.227 3.399 -8.217 1.00 0.00 C ATOM 0 H THR A 77 78.617 1.366 -5.412 1.00 0.00 H new ATOM 0 HA THR A 77 77.026 3.822 -5.790 1.00 0.00 H new ATOM 0 HB THR A 77 76.147 2.927 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.135 0.897 -7.515 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.187 3.267 -9.298 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.097 4.454 -7.976 1.00 0.00 H new ATOM 0 HG23 THR A 77 79.193 3.058 -7.845 1.00 0.00 H new ATOM 1203 N PHE A 78 74.943 2.657 -5.079 1.00 0.00 N ATOM 1204 CA PHE A 78 73.760 2.043 -4.465 1.00 0.00 C ATOM 1205 C PHE A 78 72.523 2.464 -5.259 1.00 0.00 C ATOM 1206 O PHE A 78 72.277 3.655 -5.447 1.00 0.00 O ATOM 1207 CB PHE A 78 73.657 2.504 -3.006 1.00 0.00 C ATOM 1208 CG PHE A 78 72.423 1.938 -2.328 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.233 0.551 -2.246 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.481 2.805 -1.750 1.00 0.00 C ATOM 1211 CE1 PHE A 78 71.108 0.037 -1.590 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.357 2.287 -1.101 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.170 0.904 -1.018 1.00 0.00 C ATOM 0 H PHE A 78 74.847 3.659 -5.246 1.00 0.00 H new ATOM 0 HA PHE A 78 73.837 0.956 -4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.548 2.192 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.626 3.593 -2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.954 -0.120 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.626 3.874 -1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.964 -1.031 -1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.631 2.956 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.303 0.505 -0.513 1.00 0.00 H new ATOM 1223 N LEU A 79 71.781 1.481 -5.777 1.00 0.00 N ATOM 1224 CA LEU A 79 70.611 1.773 -6.616 1.00 0.00 C ATOM 1225 C LEU A 79 69.280 1.547 -5.910 1.00 0.00 C ATOM 1226 O LEU A 79 68.700 0.458 -5.978 1.00 0.00 O ATOM 1227 CB LEU A 79 70.641 0.887 -7.865 1.00 0.00 C ATOM 1228 CG LEU A 79 69.620 1.390 -8.904 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.108 2.699 -9.549 1.00 0.00 C ATOM 1230 CD2 LEU A 79 69.433 0.316 -9.988 1.00 0.00 C ATOM 0 H LEU A 79 71.965 0.488 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 79 70.677 2.832 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.642 0.891 -8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.415 -0.144 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 79 68.670 1.583 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 79 69.375 3.040 -10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 79 70.233 3.460 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 79 71.063 2.526 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.712 0.666 -10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.388 0.122 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 79 69.067 -0.603 -9.530 1.00 0.00 H new ATOM 1242 N ALA A 80 68.792 2.595 -5.252 1.00 0.00 N ATOM 1243 CA ALA A 80 67.510 2.540 -4.550 1.00 0.00 C ATOM 1244 C ALA A 80 66.429 3.182 -5.410 1.00 0.00 C ATOM 1245 O ALA A 80 66.041 4.328 -5.188 1.00 0.00 O ATOM 1246 CB ALA A 80 67.612 3.287 -3.224 1.00 0.00 C ATOM 0 H ALA A 80 69.266 3.496 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 80 67.253 1.498 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.654 3.242 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.381 2.825 -2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.874 4.328 -3.412 1.00 0.00 H new ATOM 1252 N GLY A 81 65.947 2.429 -6.391 1.00 0.00 N ATOM 1253 CA GLY A 81 64.907 2.922 -7.288 1.00 0.00 C ATOM 1254 C GLY A 81 65.293 4.276 -7.873 1.00 0.00 C ATOM 1255 O GLY A 81 66.477 4.593 -7.991 1.00 0.00 O ATOM 0 H GLY A 81 66.258 1.477 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.746 2.206 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.965 3.010 -6.746 1.00 0.00 H new ATOM 1259 N ASP A 82 64.291 5.063 -8.261 1.00 0.00 N ATOM 1260 CA ASP A 82 64.544 6.373 -8.860 1.00 0.00 C ATOM 1261 C ASP A 82 65.675 7.107 -8.151 1.00 0.00 C ATOM 1262 O ASP A 82 66.350 7.941 -8.755 1.00 0.00 O ATOM 1263 CB ASP A 82 63.276 7.238 -8.819 1.00 0.00 C ATOM 1264 CG ASP A 82 63.454 8.458 -9.724 1.00 0.00 C ATOM 1265 OD1 ASP A 82 63.555 8.270 -10.925 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 63.489 9.559 -9.204 1.00 0.00 O ATOM 0 H ASP A 82 63.304 4.820 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 82 64.838 6.201 -9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.415 6.654 -9.145 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.075 7.558 -7.796 1.00 0.00 H new ATOM 1271 N MET A 83 65.880 6.813 -6.872 1.00 0.00 N ATOM 1272 CA MET A 83 66.940 7.485 -6.122 1.00 0.00 C ATOM 1273 C MET A 83 68.260 6.737 -6.266 1.00 0.00 C ATOM 1274 O MET A 83 68.340 5.536 -6.003 1.00 0.00 O ATOM 1275 CB MET A 83 66.575 7.590 -4.634 1.00 0.00 C ATOM 1276 CG MET A 83 65.078 7.947 -4.452 1.00 0.00 C ATOM 1277 SD MET A 83 64.174 6.512 -3.807 1.00 0.00 S ATOM 1278 CE MET A 83 64.706 6.647 -2.081 1.00 0.00 C ATOM 0 H MET A 83 65.341 6.130 -6.340 1.00 0.00 H new ATOM 0 HA MET A 83 67.050 8.488 -6.533 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.790 6.645 -4.136 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.194 8.350 -4.157 1.00 0.00 H new ATOM 0 HG2 MET A 83 64.977 8.789 -3.767 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.651 8.258 -5.405 1.00 0.00 H new ATOM 0 HE1 MET A 83 65.340 5.797 -1.828 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.267 7.571 -1.944 1.00 0.00 H new ATOM 0 HE3 MET A 83 63.832 6.654 -1.430 1.00 0.00 H new ATOM 1288 N VAL A 84 69.295 7.460 -6.684 1.00 0.00 N ATOM 1289 CA VAL A 84 70.623 6.878 -6.864 1.00 0.00 C ATOM 1290 C VAL A 84 71.659 7.718 -6.126 1.00 0.00 C ATOM 1291 O VAL A 84 71.768 8.926 -6.336 1.00 0.00 O ATOM 1292 CB VAL A 84 70.958 6.821 -8.361 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.567 8.153 -9.019 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.465 6.559 -8.554 1.00 0.00 C ATOM 0 H VAL A 84 69.240 8.454 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 84 70.635 5.867 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 84 70.400 6.009 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.803 8.117 -10.082 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.498 8.322 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.122 8.966 -8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.694 6.520 -9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.036 7.362 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.731 5.609 -8.091 1.00 0.00 H new ATOM 1304 N THR A 85 72.431 7.060 -5.271 1.00 0.00 N ATOM 1305 CA THR A 85 73.479 7.733 -4.506 1.00 0.00 C ATOM 1306 C THR A 85 74.798 7.017 -4.766 1.00 0.00 C ATOM 1307 O THR A 85 74.865 5.791 -4.690 1.00 0.00 O ATOM 1308 CB THR A 85 73.137 7.705 -3.005 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.690 6.541 -2.422 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.618 7.682 -2.815 1.00 0.00 C ATOM 0 H THR A 85 72.353 6.060 -5.088 1.00 0.00 H new ATOM 0 HA THR A 85 73.559 8.775 -4.814 1.00 0.00 H new ATOM 0 HB THR A 85 73.549 8.595 -2.529 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.132 6.256 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.385 7.662 -1.750 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.181 8.573 -3.266 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.205 6.794 -3.293 1.00 0.00 H new ATOM 1318 N SER A 86 75.840 7.778 -5.096 1.00 0.00 N ATOM 1319 CA SER A 86 77.144 7.181 -5.389 1.00 0.00 C ATOM 1320 C SER A 86 78.276 8.130 -5.016 1.00 0.00 C ATOM 1321 O SER A 86 78.166 9.344 -5.193 1.00 0.00 O ATOM 1322 CB SER A 86 77.235 6.855 -6.881 1.00 0.00 C ATOM 1323 OG SER A 86 76.389 5.753 -7.175 1.00 0.00 O ATOM 0 H SER A 86 75.810 8.795 -5.167 1.00 0.00 H new ATOM 0 HA SER A 86 77.242 6.270 -4.798 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.940 7.722 -7.473 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.264 6.620 -7.151 1.00 0.00 H new ATOM 0 HG SER A 86 76.191 5.740 -8.135 1.00 0.00 H new ATOM 1329 N ALA A 87 79.357 7.564 -4.477 1.00 0.00 N ATOM 1330 CA ALA A 87 80.509 8.360 -4.053 1.00 0.00 C ATOM 1331 C ALA A 87 81.799 7.550 -4.194 1.00 0.00 C ATOM 1332 O ALA A 87 81.767 6.323 -4.259 1.00 0.00 O ATOM 1333 CB ALA A 87 80.335 8.797 -2.599 1.00 0.00 C ATOM 0 H ALA A 87 79.459 6.561 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 87 80.574 9.242 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.197 9.389 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.430 9.398 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.254 7.916 -1.962 1.00 0.00 H new ATOM 1339 N PHE A 88 82.933 8.247 -4.271 1.00 0.00 N ATOM 1340 CA PHE A 88 84.230 7.592 -4.439 1.00 0.00 C ATOM 1341 C PHE A 88 84.807 7.138 -3.095 1.00 0.00 C ATOM 1342 O PHE A 88 84.275 7.472 -2.035 1.00 0.00 O ATOM 1343 CB PHE A 88 85.184 8.569 -5.140 1.00 0.00 C ATOM 1344 CG PHE A 88 86.466 7.876 -5.548 1.00 0.00 C ATOM 1345 CD1 PHE A 88 86.437 6.847 -6.499 1.00 0.00 C ATOM 1346 CD2 PHE A 88 87.686 8.280 -4.994 1.00 0.00 C ATOM 1347 CE1 PHE A 88 87.628 6.224 -6.894 1.00 0.00 C ATOM 1348 CE2 PHE A 88 88.873 7.657 -5.384 1.00 0.00 C ATOM 1349 CZ PHE A 88 88.846 6.628 -6.335 1.00 0.00 C ATOM 0 H PHE A 88 82.979 9.265 -4.220 1.00 0.00 H new ATOM 0 HA PHE A 88 84.103 6.697 -5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 88 84.698 8.989 -6.020 1.00 0.00 H new ATOM 0 HB3 PHE A 88 85.412 9.401 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.496 6.534 -6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.709 9.075 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 88 87.606 5.433 -7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 88 89.813 7.968 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 88 89.765 6.147 -6.636 1.00 0.00 H new ATOM 1359 N LEU A 89 85.911 6.389 -3.151 1.00 0.00 N ATOM 1360 CA LEU A 89 86.585 5.895 -1.940 1.00 0.00 C ATOM 1361 C LEU A 89 88.096 6.074 -2.106 1.00 0.00 C ATOM 1362 O LEU A 89 88.623 5.950 -3.209 1.00 0.00 O ATOM 1363 CB LEU A 89 86.247 4.405 -1.707 1.00 0.00 C ATOM 1364 CG LEU A 89 86.471 4.018 -0.225 1.00 0.00 C ATOM 1365 CD1 LEU A 89 85.840 2.650 0.055 1.00 0.00 C ATOM 1366 CD2 LEU A 89 87.978 3.967 0.122 1.00 0.00 C ATOM 0 H LEU A 89 86.361 6.109 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 89 86.241 6.462 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.210 4.214 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.869 3.781 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 89 86.000 4.780 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.000 2.382 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.770 2.694 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 89 86.300 1.899 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 89 88.101 3.692 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 89 88.471 3.227 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 89 88.425 4.946 -0.051 1.00 0.00 H new ATOM 1378 N THR A 90 88.789 6.358 -1.006 1.00 0.00 N ATOM 1379 CA THR A 90 90.244 6.550 -1.036 1.00 0.00 C ATOM 1380 C THR A 90 90.920 5.853 0.142 1.00 0.00 C ATOM 1381 O THR A 90 90.572 6.101 1.296 1.00 0.00 O ATOM 1382 CB THR A 90 90.558 8.043 -0.943 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.815 8.596 0.132 1.00 0.00 O ATOM 1384 CG2 THR A 90 90.174 8.741 -2.246 1.00 0.00 C ATOM 0 H THR A 90 88.371 6.461 -0.082 1.00 0.00 H new ATOM 0 HA THR A 90 90.618 6.125 -1.967 1.00 0.00 H new ATOM 0 HB THR A 90 91.625 8.185 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 90 90.008 9.554 0.204 1.00 0.00 H new ATOM 0 HG21 THR A 90 90.401 9.804 -2.170 1.00 0.00 H new ATOM 0 HG22 THR A 90 90.739 8.307 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 90 89.107 8.610 -2.428 1.00 0.00 H new ATOM 1392 N VAL A 91 91.922 5.013 -0.144 1.00 0.00 N ATOM 1393 CA VAL A 91 92.665 4.333 0.926 1.00 0.00 C ATOM 1394 C VAL A 91 94.161 4.421 0.673 1.00 0.00 C ATOM 1395 O VAL A 91 94.664 3.895 -0.319 1.00 0.00 O ATOM 1396 CB VAL A 91 92.260 2.860 1.010 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.810 2.245 2.302 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.739 2.752 0.988 1.00 0.00 C ATOM 0 H VAL A 91 92.234 4.790 -1.089 1.00 0.00 H new ATOM 0 HA VAL A 91 92.425 4.828 1.867 1.00 0.00 H new ATOM 0 HB VAL A 91 92.672 2.319 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.519 1.196 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.897 2.321 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.405 2.780 3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.448 1.703 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.323 3.293 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.357 3.182 0.062 1.00 0.00 H new ATOM 1408 N ARG A 92 94.874 5.091 1.581 1.00 0.00 N ATOM 1409 CA ARG A 92 96.327 5.252 1.449 1.00 0.00 C ATOM 1410 C ARG A 92 97.057 4.510 2.551 1.00 0.00 C ATOM 1411 O ARG A 92 96.523 4.295 3.638 1.00 0.00 O ATOM 1412 CB ARG A 92 96.717 6.733 1.521 1.00 0.00 C ATOM 1413 CG ARG A 92 96.134 7.516 0.326 1.00 0.00 C ATOM 1414 CD ARG A 92 94.744 8.059 0.673 1.00 0.00 C ATOM 1415 NE ARG A 92 94.217 8.847 -0.438 1.00 0.00 N ATOM 1416 CZ ARG A 92 94.539 10.128 -0.585 1.00 0.00 C ATOM 1417 NH1 ARG A 92 93.963 11.036 0.157 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 92 95.430 10.476 -1.473 1.00 0.00 N ATOM 0 H ARG A 92 94.474 5.529 2.411 1.00 0.00 H new ATOM 0 HA ARG A 92 96.612 4.841 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.354 7.163 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 92 97.803 6.827 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 92 96.798 8.339 0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 92 96.071 6.866 -0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 92 94.068 7.233 0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 92 94.800 8.675 1.571 1.00 0.00 H new ATOM 0 HE ARG A 92 93.591 8.407 -1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 92 93.266 10.762 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 92 94.210 12.019 0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 92 95.877 9.765 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 92 95.679 11.458 -1.588 1.00 0.00 H new ATOM 1432 N GLY A 93 98.293 4.127 2.255 1.00 0.00 N ATOM 1433 CA GLY A 93 99.132 3.413 3.210 1.00 0.00 C ATOM 1434 C GLY A 93 100.464 4.135 3.387 1.00 0.00 C ATOM 1435 O GLY A 93 101.413 3.580 3.941 1.00 0.00 O ATOM 0 H GLY A 93 98.739 4.301 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 93 98.620 3.339 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 93 99.306 2.395 2.862 1.00 0.00 H new ATOM 1439 N GLY A 94 100.542 5.372 2.895 1.00 0.00 N ATOM 1440 CA GLY A 94 101.779 6.146 2.999 1.00 0.00 C ATOM 1441 C GLY A 94 101.933 6.780 4.384 1.00 0.00 C ATOM 1442 O GLY A 94 100.993 6.786 5.180 1.00 0.00 O ATOM 0 H GLY A 94 99.775 5.854 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 94 102.632 5.498 2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 94 101.785 6.927 2.238 1.00 0.00 H new ATOM 1446 N LEU A 95 103.135 7.300 4.667 1.00 0.00 N ATOM 1447 CA LEU A 95 103.422 7.921 5.969 1.00 0.00 C ATOM 1448 C LEU A 95 103.005 9.396 5.987 1.00 0.00 C ATOM 1449 O LEU A 95 102.104 9.804 5.250 1.00 0.00 O ATOM 1450 CB LEU A 95 104.921 7.811 6.291 1.00 0.00 C ATOM 1451 CG LEU A 95 105.400 6.356 6.150 1.00 0.00 C ATOM 1452 CD1 LEU A 95 106.901 6.285 6.452 1.00 0.00 C ATOM 1453 CD2 LEU A 95 104.651 5.446 7.134 1.00 0.00 C ATOM 0 H LEU A 95 103.921 7.304 4.017 1.00 0.00 H new ATOM 0 HA LEU A 95 102.844 7.388 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 95 105.491 8.454 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 95 105.107 8.164 7.305 1.00 0.00 H new ATOM 0 HG LEU A 95 105.203 6.020 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 95 107.244 5.255 6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 95 107.444 6.917 5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 95 107.084 6.632 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 95 105.002 4.420 7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 95 104.836 5.782 8.154 1.00 0.00 H new ATOM 0 HD23 LEU A 95 103.582 5.488 6.927 1.00 0.00 H new ATOM 1465 N GLU A 96 103.654 10.191 6.844 1.00 0.00 N ATOM 1466 CA GLU A 96 103.321 11.614 6.955 1.00 0.00 C ATOM 1467 C GLU A 96 103.928 12.395 5.800 1.00 0.00 C ATOM 1468 O GLU A 96 105.134 12.337 5.562 1.00 0.00 O ATOM 1469 CB GLU A 96 103.839 12.195 8.280 1.00 0.00 C ATOM 1470 CG GLU A 96 103.179 11.458 9.452 1.00 0.00 C ATOM 1471 CD GLU A 96 103.924 10.158 9.740 1.00 0.00 C ATOM 1472 OE1 GLU A 96 104.825 9.836 8.985 1.00 0.00 O ATOM 1473 OE2 GLU A 96 103.564 9.489 10.695 1.00 0.00 O1- ATOM 0 H GLU A 96 104.402 9.879 7.463 1.00 0.00 H new ATOM 0 HA GLU A 96 102.235 11.703 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 96 104.923 12.093 8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 96 103.616 13.261 8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 96 103.182 12.092 10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 96 102.136 11.244 9.217 1.00 0.00 H new ATOM 1480 N HIS A 97 103.079 13.116 5.079 1.00 0.00 N ATOM 1481 CA HIS A 97 103.539 13.899 3.942 1.00 0.00 C ATOM 1482 C HIS A 97 104.218 15.189 4.395 1.00 0.00 C ATOM 1483 O HIS A 97 105.283 15.547 3.891 1.00 0.00 O ATOM 1484 CB HIS A 97 102.354 14.226 3.032 1.00 0.00 C ATOM 1485 CG HIS A 97 101.840 12.956 2.408 1.00 0.00 C ATOM 1486 ND1 HIS A 97 102.540 12.282 1.421 1.00 0.00 N ATOM 1487 CD2 HIS A 97 100.695 12.230 2.616 1.00 0.00 C ATOM 1488 CE1 HIS A 97 101.815 11.203 1.071 1.00 0.00 C ATOM 1489 NE2 HIS A 97 100.680 11.123 1.770 1.00 0.00 N ATOM 0 H HIS A 97 102.077 13.174 5.260 1.00 0.00 H new ATOM 0 HA HIS A 97 104.272 13.308 3.394 1.00 0.00 H new ATOM 0 HB2 HIS A 97 101.563 14.709 3.606 1.00 0.00 H new ATOM 0 HB3 HIS A 97 102.659 14.928 2.256 1.00 0.00 H new ATOM 0 HD2 HIS A 97 99.922 12.479 3.328 1.00 0.00 H new ATOM 0 HE1 HIS A 97 102.115 10.490 0.317 1.00 0.00 H new ATOM 0 HE2 HIS A 97 99.958 10.406 1.700 1.00 0.00 H new ATOM 1497 N HIS A 98 103.608 15.882 5.355 1.00 0.00 N ATOM 1498 CA HIS A 98 104.174 17.130 5.868 1.00 0.00 C ATOM 1499 C HIS A 98 103.796 17.329 7.332 1.00 0.00 C ATOM 1500 O HIS A 98 104.203 18.311 7.957 1.00 0.00 O ATOM 1501 CB HIS A 98 103.663 18.313 5.048 1.00 0.00 C ATOM 1502 CG HIS A 98 104.244 19.590 5.592 1.00 0.00 C ATOM 1503 ND1 HIS A 98 105.573 19.942 5.403 1.00 0.00 N ATOM 1504 CD2 HIS A 98 103.684 20.616 6.312 1.00 0.00 C ATOM 1505 CE1 HIS A 98 105.764 21.135 5.995 1.00 0.00 C ATOM 1506 NE2 HIS A 98 104.645 21.590 6.565 1.00 0.00 N ATOM 0 H HIS A 98 102.729 15.604 5.791 1.00 0.00 H new ATOM 0 HA HIS A 98 105.259 17.072 5.787 1.00 0.00 H new ATOM 0 HB2 HIS A 98 103.942 18.191 4.001 1.00 0.00 H new ATOM 0 HB3 HIS A 98 102.574 18.352 5.085 1.00 0.00 H new ATOM 0 HD2 HIS A 98 102.654 20.660 6.633 1.00 0.00 H new ATOM 0 HE1 HIS A 98 106.707 21.661 6.008 1.00 0.00 H new ATOM 0 HE2 HIS A 98 104.521 22.464 7.076 1.00 0.00 H new ATOM 1514 N HIS A 99 103.020 16.395 7.878 1.00 0.00 N ATOM 1515 CA HIS A 99 102.601 16.491 9.276 1.00 0.00 C ATOM 1516 C HIS A 99 103.699 15.967 10.194 1.00 0.00 C ATOM 1517 O HIS A 99 103.981 14.769 10.217 1.00 0.00 O ATOM 1518 CB HIS A 99 101.321 15.680 9.520 1.00 0.00 C ATOM 1519 CG HIS A 99 100.159 16.288 8.773 1.00 0.00 C ATOM 1520 ND1 HIS A 99 99.520 17.443 9.203 1.00 0.00 N ATOM 1521 CD2 HIS A 99 99.495 15.895 7.635 1.00 0.00 C ATOM 1522 CE1 HIS A 99 98.523 17.702 8.334 1.00 0.00 C ATOM 1523 NE2 HIS A 99 98.464 16.789 7.361 1.00 0.00 N ATOM 0 H HIS A 99 102.672 15.574 7.383 1.00 0.00 H new ATOM 0 HA HIS A 99 102.407 17.541 9.494 1.00 0.00 H new ATOM 0 HB2 HIS A 99 101.469 14.650 9.197 1.00 0.00 H new ATOM 0 HB3 HIS A 99 101.100 15.651 10.587 1.00 0.00 H new ATOM 0 HD2 HIS A 99 99.737 15.024 7.043 1.00 0.00 H new ATOM 0 HE1 HIS A 99 97.853 18.545 8.415 1.00 0.00 H new ATOM 0 HE2 HIS A 99 97.805 16.754 6.584 1.00 0.00 H new ATOM 1531 N HIS A 100 104.303 16.872 10.962 1.00 0.00 N ATOM 1532 CA HIS A 100 105.362 16.501 11.904 1.00 0.00 C ATOM 1533 C HIS A 100 104.966 16.940 13.310 1.00 0.00 C ATOM 1534 O HIS A 100 104.404 18.018 13.502 1.00 0.00 O ATOM 1535 CB HIS A 100 106.694 17.159 11.508 1.00 0.00 C ATOM 1536 CG HIS A 100 107.309 16.407 10.351 1.00 0.00 C ATOM 1537 ND1 HIS A 100 107.049 16.743 9.033 1.00 0.00 N ATOM 1538 CD2 HIS A 100 108.152 15.322 10.302 1.00 0.00 C ATOM 1539 CE1 HIS A 100 107.715 15.875 8.253 1.00 0.00 C ATOM 1540 NE2 HIS A 100 108.406 14.989 8.975 1.00 0.00 N ATOM 0 H HIS A 100 104.079 17.867 10.952 1.00 0.00 H new ATOM 0 HA HIS A 100 105.492 15.419 11.880 1.00 0.00 H new ATOM 0 HB2 HIS A 100 106.528 18.200 11.231 1.00 0.00 H new ATOM 0 HB3 HIS A 100 107.377 17.160 12.358 1.00 0.00 H new ATOM 0 HD2 HIS A 100 108.555 14.807 11.162 1.00 0.00 H new ATOM 0 HE1 HIS A 100 107.694 15.892 7.173 1.00 0.00 H new ATOM 0 HE2 HIS A 100 108.994 14.231 8.628 1.00 0.00 H new ATOM 1548 N HIS A 101 105.268 16.095 14.288 1.00 0.00 N ATOM 1549 CA HIS A 101 104.949 16.396 15.680 1.00 0.00 C ATOM 1550 C HIS A 101 105.932 15.693 16.603 1.00 0.00 C ATOM 1551 O HIS A 101 106.530 14.684 16.233 1.00 0.00 O ATOM 1552 CB HIS A 101 103.520 15.950 16.006 1.00 0.00 C ATOM 1553 CG HIS A 101 103.359 14.490 15.682 1.00 0.00 C ATOM 1554 ND1 HIS A 101 103.244 14.030 14.379 1.00 0.00 N ATOM 1555 CD2 HIS A 101 103.283 13.376 16.480 1.00 0.00 C ATOM 1556 CE1 HIS A 101 103.103 12.695 14.434 1.00 0.00 C ATOM 1557 NE2 HIS A 101 103.121 12.244 15.689 1.00 0.00 N ATOM 0 H HIS A 101 105.732 15.198 14.145 1.00 0.00 H new ATOM 0 HA HIS A 101 105.025 17.473 15.830 1.00 0.00 H new ATOM 0 HB2 HIS A 101 103.306 16.124 17.060 1.00 0.00 H new ATOM 0 HB3 HIS A 101 102.805 16.541 15.434 1.00 0.00 H new ATOM 0 HD2 HIS A 101 103.340 13.378 17.558 1.00 0.00 H new ATOM 0 HE1 HIS A 101 102.989 12.063 13.566 1.00 0.00 H new ATOM 0 HE2 HIS A 101 103.035 11.277 16.001 1.00 0.00 H new ATOM 1565 N HIS A 102 106.099 16.229 17.805 1.00 0.00 N ATOM 1566 CA HIS A 102 107.018 15.636 18.768 1.00 0.00 C ATOM 1567 C HIS A 102 106.502 14.274 19.222 1.00 0.00 C ATOM 1568 O HIS A 102 105.737 13.678 18.483 1.00 0.00 O ATOM 1569 CB HIS A 102 107.166 16.556 19.978 1.00 0.00 C ATOM 1570 CG HIS A 102 105.824 16.708 20.632 1.00 0.00 C ATOM 1571 ND1 HIS A 102 104.969 17.756 20.333 1.00 0.00 N ATOM 1572 CD2 HIS A 102 105.164 15.932 21.547 1.00 0.00 C ATOM 1573 CE1 HIS A 102 103.846 17.581 21.056 1.00 0.00 C ATOM 1574 NE2 HIS A 102 103.913 16.484 21.815 1.00 0.00 N ATOM 1575 OXT HIS A 102 106.878 13.848 20.302 1.00 0.00 O ATOM 0 H HIS A 102 105.616 17.065 18.134 1.00 0.00 H new ATOM 0 HA HIS A 102 107.989 15.506 18.290 1.00 0.00 H new ATOM 0 HB2 HIS A 102 107.885 16.140 20.683 1.00 0.00 H new ATOM 0 HB3 HIS A 102 107.548 17.529 19.669 1.00 0.00 H new ATOM 0 HD2 HIS A 102 105.554 15.029 21.993 1.00 0.00 H new ATOM 0 HE1 HIS A 102 102.996 18.246 21.026 1.00 0.00 H new ATOM 0 HE2 HIS A 102 103.202 16.127 22.453 1.00 0.00 H new TER 1583 HIS A 102