USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 681 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 41 SER OG : rot 180:sc= 0.642 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.711 K(o=1.4,f=0) USER MOD Set 2.1: A 29 ASN : amide:sc= 1.15 X(o=2.1,f=2.2) USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0.986 USER MOD Set 3.1: A 4 HIS : no HD1:sc= 0.942 K(o=0.94,f=-4.9!) USER MOD Set 3.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 157:sc= 0 (180deg=-0.389) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.105 (180deg=-0.113) USER MOD Single : A 3 LYS NZ :NH3+ 161:sc= -0.0565 (180deg=-0.447) USER MOD Single : A 6 LYS NZ :NH3+ 138:sc= -0.584 (180deg=-2.53!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.892 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.559 K(o=-0.56,f=-4!) USER MOD Single : A 16 LYS NZ :NH3+ -145:sc= 0.779 (180deg=0.0284) USER MOD Single : A 17 TYR OH : rot -146:sc= 1.35 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.12) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 122:sc= 0.637 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0316 X(o=-0.032,f=-0.032) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0.932 (180deg=0.86) USER MOD Single : A 65 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 72 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 73 HIS : no HD1:sc= -0.759 K(o=-0.76,f=-0.15) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.685 16.262 -9.893 1.00 0.00 N ATOM 2 CA MET A 1 3.544 15.339 -9.919 1.00 0.00 C ATOM 3 C MET A 1 2.219 16.079 -9.695 1.00 0.00 C ATOM 4 O MET A 1 1.152 15.534 -10.013 1.00 0.00 O ATOM 5 CB MET A 1 3.697 14.218 -8.865 1.00 0.00 C ATOM 6 CG MET A 1 3.716 14.714 -7.428 1.00 0.00 C ATOM 7 SD MET A 1 3.888 13.401 -6.209 1.00 0.00 S ATOM 8 CE MET A 1 3.777 14.371 -4.700 1.00 0.00 C ATOM 0 H1 MET A 1 5.564 15.733 -10.064 1.00 0.00 H new ATOM 0 H2 MET A 1 4.565 16.983 -10.633 1.00 0.00 H new ATOM 0 H3 MET A 1 4.736 16.725 -8.963 1.00 0.00 H new ATOM 0 HA MET A 1 3.529 14.886 -10.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.877 13.510 -8.982 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.620 13.673 -9.062 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.539 15.419 -7.308 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.795 15.262 -7.230 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.458 13.730 -3.878 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.753 14.798 -4.469 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.053 15.174 -4.836 1.00 0.00 H new ATOM 20 N LEU A 2 2.285 17.315 -9.146 1.00 0.00 N ATOM 21 CA LEU A 2 1.100 18.133 -8.817 1.00 0.00 C ATOM 22 C LEU A 2 0.246 17.482 -7.714 1.00 0.00 C ATOM 23 O LEU A 2 0.510 16.355 -7.274 1.00 0.00 O ATOM 24 CB LEU A 2 0.236 18.426 -10.067 1.00 0.00 C ATOM 25 CG LEU A 2 0.882 19.278 -11.168 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.034 19.358 -12.376 1.00 0.00 C ATOM 27 CD2 LEU A 2 1.180 20.676 -10.652 1.00 0.00 C ATOM 0 H LEU A 2 3.168 17.772 -8.919 1.00 0.00 H new ATOM 0 HA LEU A 2 1.475 19.084 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.062 17.474 -10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -0.676 18.926 -9.741 1.00 0.00 H new ATOM 0 HG LEU A 2 1.819 18.806 -11.463 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.436 19.965 -13.150 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.215 18.355 -12.762 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.981 19.811 -12.085 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.638 21.267 -11.445 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.252 21.152 -10.334 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.864 20.613 -9.806 1.00 0.00 H new ATOM 39 N LYS A 3 -0.782 18.182 -7.276 1.00 0.00 N ATOM 40 CA LYS A 3 -1.714 17.666 -6.265 1.00 0.00 C ATOM 41 C LYS A 3 -2.747 16.726 -6.881 1.00 0.00 C ATOM 42 O LYS A 3 -3.944 16.791 -6.583 1.00 0.00 O ATOM 43 CB LYS A 3 -2.402 18.804 -5.475 1.00 0.00 C ATOM 44 CG LYS A 3 -1.612 19.325 -4.264 1.00 0.00 C ATOM 45 CD LYS A 3 -0.271 19.928 -4.635 1.00 0.00 C ATOM 46 CE LYS A 3 0.522 20.313 -3.402 1.00 0.00 C ATOM 47 NZ LYS A 3 0.824 19.137 -2.553 1.00 0.00 N ATOM 0 H LYS A 3 -1.003 19.122 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.119 17.091 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.588 19.636 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.374 18.451 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.209 20.076 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.452 18.505 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.300 19.213 -5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.426 20.808 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.453 20.792 -3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.040 21.045 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.613 19.363 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.015 18.890 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.086 18.331 -3.156 1.00 0.00 H new ATOM 61 N HIS A 4 -2.277 15.847 -7.725 1.00 0.00 N ATOM 62 CA HIS A 4 -3.112 14.846 -8.344 1.00 0.00 C ATOM 63 C HIS A 4 -2.658 13.484 -7.812 1.00 0.00 C ATOM 64 O HIS A 4 -3.235 12.435 -8.123 1.00 0.00 O ATOM 65 CB HIS A 4 -2.976 14.931 -9.871 1.00 0.00 C ATOM 66 CG HIS A 4 -4.038 14.196 -10.640 1.00 0.00 C ATOM 67 ND1 HIS A 4 -3.771 13.176 -11.517 1.00 0.00 N ATOM 68 CD2 HIS A 4 -5.369 14.401 -10.711 1.00 0.00 C ATOM 69 CE1 HIS A 4 -4.885 12.794 -12.092 1.00 0.00 C ATOM 70 NE2 HIS A 4 -5.867 13.522 -11.616 1.00 0.00 N ATOM 0 H HIS A 4 -1.297 15.803 -8.006 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.165 14.999 -8.106 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.994 15.980 -10.166 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.001 14.537 -10.157 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.934 15.131 -10.150 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.979 12.013 -12.832 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.848 13.440 -11.884 1.00 0.00 H new ATOM 79 N GLY A 5 -1.624 13.543 -6.994 1.00 0.00 N ATOM 80 CA GLY A 5 -1.056 12.398 -6.361 1.00 0.00 C ATOM 81 C GLY A 5 -0.520 12.798 -5.010 1.00 0.00 C ATOM 82 O GLY A 5 0.226 13.783 -4.900 1.00 0.00 O ATOM 0 H GLY A 5 -1.154 14.416 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.808 11.617 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.256 11.986 -6.976 1.00 0.00 H new ATOM 86 N LYS A 6 -0.927 12.098 -3.986 1.00 0.00 N ATOM 87 CA LYS A 6 -0.510 12.407 -2.624 1.00 0.00 C ATOM 88 C LYS A 6 0.042 11.176 -1.941 1.00 0.00 C ATOM 89 O LYS A 6 -0.357 10.069 -2.259 1.00 0.00 O ATOM 90 CB LYS A 6 -1.684 12.983 -1.820 1.00 0.00 C ATOM 91 CG LYS A 6 -2.931 12.100 -1.798 1.00 0.00 C ATOM 92 CD LYS A 6 -4.115 12.719 -1.031 1.00 0.00 C ATOM 93 CE LYS A 6 -3.936 12.752 0.501 1.00 0.00 C ATOM 94 NZ LYS A 6 -2.960 13.759 0.983 1.00 0.00 N ATOM 0 H LYS A 6 -1.555 11.298 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 6 0.280 13.157 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.357 13.153 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.950 13.955 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.240 11.897 -2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.678 11.141 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.271 13.737 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.018 12.157 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.903 12.951 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.618 11.766 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.337 14.231 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.064 13.288 1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.794 14.465 0.238 1.00 0.00 H new ATOM 108 N TYR A 7 0.942 11.361 -1.018 1.00 0.00 N ATOM 109 CA TYR A 7 1.529 10.246 -0.310 1.00 0.00 C ATOM 110 C TYR A 7 0.902 10.052 1.041 1.00 0.00 C ATOM 111 O TYR A 7 0.817 10.991 1.850 1.00 0.00 O ATOM 112 CB TYR A 7 3.044 10.387 -0.166 1.00 0.00 C ATOM 113 CG TYR A 7 3.796 10.229 -1.459 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.177 8.972 -1.900 1.00 0.00 C ATOM 115 CD2 TYR A 7 4.120 11.321 -2.238 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.858 8.810 -3.081 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.798 11.166 -3.424 1.00 0.00 C ATOM 118 CZ TYR A 7 5.165 9.910 -3.839 1.00 0.00 C ATOM 119 OH TYR A 7 5.828 9.754 -5.030 1.00 0.00 O ATOM 0 H TYR A 7 1.291 12.276 -0.733 1.00 0.00 H new ATOM 0 HA TYR A 7 1.327 9.363 -0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.269 11.366 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.402 9.643 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.934 8.105 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.837 12.311 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.150 7.824 -3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.041 12.029 -4.027 1.00 0.00 H new ATOM 0 HH TYR A 7 5.968 10.631 -5.444 1.00 0.00 H new ATOM 129 N VAL A 8 0.440 8.859 1.263 1.00 0.00 N ATOM 130 CA VAL A 8 -0.103 8.455 2.541 1.00 0.00 C ATOM 131 C VAL A 8 0.580 7.161 2.939 1.00 0.00 C ATOM 132 O VAL A 8 1.476 6.687 2.220 1.00 0.00 O ATOM 133 CB VAL A 8 -1.655 8.255 2.529 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.387 9.525 2.113 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.061 7.082 1.658 1.00 0.00 C ATOM 0 H VAL A 8 0.426 8.123 0.557 1.00 0.00 H new ATOM 0 HA VAL A 8 0.086 9.254 3.257 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.952 8.026 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.462 9.344 2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.151 10.327 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.072 9.815 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.146 6.975 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.729 7.257 0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.600 6.170 2.038 1.00 0.00 H new ATOM 145 N TYR A 9 0.183 6.588 4.038 1.00 0.00 N ATOM 146 CA TYR A 9 0.793 5.378 4.497 1.00 0.00 C ATOM 147 C TYR A 9 -0.231 4.291 4.642 1.00 0.00 C ATOM 148 O TYR A 9 -1.358 4.540 5.049 1.00 0.00 O ATOM 149 CB TYR A 9 1.507 5.596 5.827 1.00 0.00 C ATOM 150 CG TYR A 9 2.682 6.534 5.750 1.00 0.00 C ATOM 151 CD1 TYR A 9 3.944 6.060 5.431 1.00 0.00 C ATOM 152 CD2 TYR A 9 2.534 7.892 6.007 1.00 0.00 C ATOM 153 CE1 TYR A 9 5.026 6.904 5.369 1.00 0.00 C ATOM 154 CE2 TYR A 9 3.613 8.745 5.943 1.00 0.00 C ATOM 155 CZ TYR A 9 4.856 8.246 5.624 1.00 0.00 C ATOM 156 OH TYR A 9 5.939 9.092 5.575 1.00 0.00 O ATOM 0 H TYR A 9 -0.565 6.943 4.634 1.00 0.00 H new ATOM 0 HA TYR A 9 1.529 5.074 3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.792 5.986 6.551 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.850 4.633 6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.080 5.008 5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.560 8.283 6.260 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.004 6.517 5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.485 9.799 6.142 1.00 0.00 H new ATOM 0 HH TYR A 9 5.650 10.006 5.778 1.00 0.00 H new ATOM 166 N ILE A 10 0.140 3.103 4.281 1.00 0.00 N ATOM 167 CA ILE A 10 -0.727 1.967 4.472 1.00 0.00 C ATOM 168 C ILE A 10 -0.449 1.380 5.844 1.00 0.00 C ATOM 169 O ILE A 10 0.716 1.080 6.183 1.00 0.00 O ATOM 170 CB ILE A 10 -0.542 0.887 3.368 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.812 1.475 1.971 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.407 -0.356 3.616 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.183 2.096 1.806 1.00 0.00 C ATOM 0 H ILE A 10 1.039 2.887 3.850 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.762 2.303 4.401 1.00 0.00 H new ATOM 0 HB ILE A 10 0.498 0.564 3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.056 2.231 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.693 0.685 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.242 -1.080 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.136 -0.803 4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.459 -0.070 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.287 2.485 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.948 1.341 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.302 2.910 2.521 1.00 0.00 H new ATOM 185 N ASP A 11 -1.494 1.239 6.629 1.00 0.00 N ATOM 186 CA ASP A 11 -1.391 0.742 7.983 1.00 0.00 C ATOM 187 C ASP A 11 -1.210 -0.750 7.984 1.00 0.00 C ATOM 188 O ASP A 11 -2.172 -1.527 7.932 1.00 0.00 O ATOM 189 CB ASP A 11 -2.596 1.169 8.852 1.00 0.00 C ATOM 190 CG ASP A 11 -2.531 0.694 10.309 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.581 1.059 11.046 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.475 0.024 10.774 1.00 0.00 O ATOM 0 H ASP A 11 -2.446 1.468 6.344 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.508 1.193 8.435 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.668 2.257 8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.509 0.784 8.398 1.00 0.00 H new ATOM 197 N LEU A 12 0.041 -1.137 7.892 1.00 0.00 N ATOM 198 CA LEU A 12 0.440 -2.520 8.002 1.00 0.00 C ATOM 199 C LEU A 12 0.340 -2.889 9.459 1.00 0.00 C ATOM 200 O LEU A 12 0.065 -4.027 9.819 1.00 0.00 O ATOM 201 CB LEU A 12 1.885 -2.673 7.544 1.00 0.00 C ATOM 202 CG LEU A 12 2.206 -2.201 6.126 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.698 -2.269 5.886 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.464 -3.042 5.100 1.00 0.00 C ATOM 0 H LEU A 12 0.818 -0.494 7.737 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.192 -3.159 7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.522 -2.125 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.158 -3.725 7.623 1.00 0.00 H new ATOM 0 HG LEU A 12 1.878 -1.167 6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.919 -1.931 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.211 -1.628 6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.040 -3.297 6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.706 -2.690 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.763 -4.085 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.390 -2.955 5.266 1.00 0.00 H new ATOM 216 N ASN A 13 0.636 -1.882 10.283 1.00 0.00 N ATOM 217 CA ASN A 13 0.512 -1.889 11.750 1.00 0.00 C ATOM 218 C ASN A 13 1.573 -2.760 12.428 1.00 0.00 C ATOM 219 O ASN A 13 1.717 -2.753 13.644 1.00 0.00 O ATOM 220 CB ASN A 13 -0.903 -2.314 12.176 1.00 0.00 C ATOM 221 CG ASN A 13 -1.315 -1.715 13.496 1.00 0.00 C ATOM 222 OD1 ASN A 13 -1.088 -2.275 14.570 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.913 -0.562 13.425 1.00 0.00 N ATOM 0 H ASN A 13 0.987 -0.991 9.931 1.00 0.00 H new ATOM 0 HA ASN A 13 0.686 -0.867 12.086 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.615 -2.015 11.407 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.947 -3.401 12.245 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.212 -0.089 14.278 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.083 -0.131 12.516 1.00 0.00 H new ATOM 230 N ASN A 14 2.364 -3.442 11.632 1.00 0.00 N ATOM 231 CA ASN A 14 3.392 -4.369 12.112 1.00 0.00 C ATOM 232 C ASN A 14 4.734 -3.673 12.377 1.00 0.00 C ATOM 233 O ASN A 14 5.781 -4.319 12.433 1.00 0.00 O ATOM 234 CB ASN A 14 3.557 -5.575 11.148 1.00 0.00 C ATOM 235 CG ASN A 14 3.844 -5.192 9.699 1.00 0.00 C ATOM 236 OD1 ASN A 14 4.427 -4.151 9.415 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.416 -6.021 8.776 1.00 0.00 N ATOM 0 H ASN A 14 2.320 -3.375 10.615 1.00 0.00 H new ATOM 0 HA ASN A 14 3.047 -4.752 13.072 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.368 -6.206 11.511 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.648 -6.175 11.179 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.565 -5.807 7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.934 -6.879 9.045 1.00 0.00 H new ATOM 244 N GLY A 15 4.692 -2.367 12.547 1.00 0.00 N ATOM 245 CA GLY A 15 5.886 -1.619 12.901 1.00 0.00 C ATOM 246 C GLY A 15 6.497 -0.875 11.741 1.00 0.00 C ATOM 247 O GLY A 15 7.335 0.023 11.942 1.00 0.00 O ATOM 0 H GLY A 15 3.849 -1.802 12.447 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.639 -0.907 13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.626 -2.305 13.312 1.00 0.00 H new ATOM 251 N LYS A 16 6.084 -1.215 10.548 1.00 0.00 N ATOM 252 CA LYS A 16 6.547 -0.549 9.354 1.00 0.00 C ATOM 253 C LYS A 16 5.341 -0.136 8.535 1.00 0.00 C ATOM 254 O LYS A 16 4.262 -0.720 8.690 1.00 0.00 O ATOM 255 CB LYS A 16 7.517 -1.441 8.549 1.00 0.00 C ATOM 256 CG LYS A 16 6.957 -2.797 8.151 1.00 0.00 C ATOM 257 CD LYS A 16 7.997 -3.661 7.450 1.00 0.00 C ATOM 258 CE LYS A 16 7.426 -5.030 7.114 1.00 0.00 C ATOM 259 NZ LYS A 16 8.421 -5.917 6.469 1.00 0.00 N ATOM 0 H LYS A 16 5.414 -1.964 10.374 1.00 0.00 H new ATOM 0 HA LYS A 16 7.114 0.341 9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.814 -0.907 7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.420 -1.596 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.595 -3.315 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.100 -2.656 7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.331 -3.167 6.537 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.873 -3.774 8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.061 -5.502 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.568 -4.910 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.946 -6.518 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.147 -5.340 5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.870 -6.517 7.190 1.00 0.00 H new ATOM 273 N TYR A 17 5.495 0.885 7.731 1.00 0.00 N ATOM 274 CA TYR A 17 4.407 1.431 6.932 1.00 0.00 C ATOM 275 C TYR A 17 4.895 1.692 5.539 1.00 0.00 C ATOM 276 O TYR A 17 6.047 2.043 5.353 1.00 0.00 O ATOM 277 CB TYR A 17 3.870 2.744 7.547 1.00 0.00 C ATOM 278 CG TYR A 17 3.012 2.572 8.788 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.552 2.140 9.991 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.654 2.829 8.744 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.764 1.970 11.103 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.862 2.662 9.855 1.00 0.00 C ATOM 283 CZ TYR A 17 1.424 2.233 11.031 1.00 0.00 C ATOM 284 OH TYR A 17 0.636 2.047 12.140 1.00 0.00 O ATOM 0 H TYR A 17 6.383 1.371 7.605 1.00 0.00 H new ATOM 0 HA TYR A 17 3.594 0.705 6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.717 3.383 7.796 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.286 3.269 6.791 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.610 1.934 10.054 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.208 3.167 7.820 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.201 1.630 12.030 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.197 2.867 9.803 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.254 1.745 11.862 1.00 0.00 H new ATOM 294 N VAL A 18 4.045 1.512 4.567 1.00 0.00 N ATOM 295 CA VAL A 18 4.426 1.767 3.199 1.00 0.00 C ATOM 296 C VAL A 18 3.892 3.113 2.743 1.00 0.00 C ATOM 297 O VAL A 18 2.713 3.435 2.958 1.00 0.00 O ATOM 298 CB VAL A 18 4.030 0.600 2.222 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.575 0.253 2.328 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.387 0.927 0.779 1.00 0.00 C ATOM 0 H VAL A 18 3.085 1.191 4.692 1.00 0.00 H new ATOM 0 HA VAL A 18 5.515 1.807 3.166 1.00 0.00 H new ATOM 0 HB VAL A 18 4.610 -0.270 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.343 -0.557 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.350 -0.063 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.973 1.127 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.098 0.096 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.858 1.828 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.462 1.091 0.698 1.00 0.00 H new ATOM 310 N LYS A 19 4.778 3.903 2.173 1.00 0.00 N ATOM 311 CA LYS A 19 4.465 5.219 1.686 1.00 0.00 C ATOM 312 C LYS A 19 4.038 5.098 0.238 1.00 0.00 C ATOM 313 O LYS A 19 4.870 4.852 -0.660 1.00 0.00 O ATOM 314 CB LYS A 19 5.698 6.127 1.819 1.00 0.00 C ATOM 315 CG LYS A 19 5.484 7.561 1.364 1.00 0.00 C ATOM 316 CD LYS A 19 6.750 8.384 1.539 1.00 0.00 C ATOM 317 CE LYS A 19 6.551 9.808 1.057 1.00 0.00 C ATOM 318 NZ LYS A 19 7.760 10.634 1.237 1.00 0.00 N ATOM 0 H LYS A 19 5.753 3.638 2.035 1.00 0.00 H new ATOM 0 HA LYS A 19 3.657 5.662 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.016 6.135 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.514 5.695 1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.181 7.572 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.672 8.010 1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.040 8.390 2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.567 7.921 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.275 9.797 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.721 10.260 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.576 11.598 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.010 10.668 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.547 10.219 0.699 1.00 0.00 H new ATOM 332 N VAL A 20 2.776 5.264 0.013 1.00 0.00 N ATOM 333 CA VAL A 20 2.201 5.047 -1.283 1.00 0.00 C ATOM 334 C VAL A 20 1.560 6.331 -1.805 1.00 0.00 C ATOM 335 O VAL A 20 1.026 7.140 -1.032 1.00 0.00 O ATOM 336 CB VAL A 20 1.166 3.877 -1.218 1.00 0.00 C ATOM 337 CG1 VAL A 20 0.031 4.191 -0.259 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.620 3.502 -2.591 1.00 0.00 C ATOM 0 H VAL A 20 2.106 5.556 0.725 1.00 0.00 H new ATOM 0 HA VAL A 20 2.989 4.765 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 20 1.708 3.011 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.670 3.356 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.434 4.351 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.487 5.091 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.094 2.685 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.122 4.365 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.441 3.187 -3.235 1.00 0.00 H new ATOM 348 N ARG A 21 1.661 6.538 -3.092 1.00 0.00 N ATOM 349 CA ARG A 21 1.087 7.691 -3.721 1.00 0.00 C ATOM 350 C ARG A 21 -0.290 7.329 -4.240 1.00 0.00 C ATOM 351 O ARG A 21 -0.446 6.416 -5.065 1.00 0.00 O ATOM 352 CB ARG A 21 1.991 8.210 -4.856 1.00 0.00 C ATOM 353 CG ARG A 21 1.558 9.549 -5.457 1.00 0.00 C ATOM 354 CD ARG A 21 2.591 10.085 -6.454 1.00 0.00 C ATOM 355 NE ARG A 21 2.692 9.279 -7.685 1.00 0.00 N ATOM 356 CZ ARG A 21 3.821 8.695 -8.156 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.964 8.725 -7.449 1.00 0.00 N ATOM 358 NH2 ARG A 21 3.793 8.069 -9.328 1.00 0.00 N ATOM 0 H ARG A 21 2.145 5.908 -3.732 1.00 0.00 H new ATOM 0 HA ARG A 21 0.998 8.496 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.008 8.310 -4.476 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.020 7.463 -5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.597 9.429 -5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.412 10.276 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.330 11.109 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.567 10.120 -5.971 1.00 0.00 H new ATOM 0 HE ARG A 21 1.839 9.150 -8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.991 9.192 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.804 8.280 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.927 8.031 -9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.638 7.627 -9.690 1.00 0.00 H new ATOM 372 N ILE A 22 -1.264 8.004 -3.726 1.00 0.00 N ATOM 373 CA ILE A 22 -2.630 7.808 -4.102 1.00 0.00 C ATOM 374 C ILE A 22 -2.878 8.641 -5.322 1.00 0.00 C ATOM 375 O ILE A 22 -2.659 9.865 -5.288 1.00 0.00 O ATOM 376 CB ILE A 22 -3.602 8.297 -2.988 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.219 7.715 -1.619 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.058 7.962 -3.335 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.194 6.204 -1.555 1.00 0.00 C ATOM 0 H ILE A 22 -1.132 8.725 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.804 6.746 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.512 9.382 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.235 8.092 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.923 8.084 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.713 8.316 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.330 8.449 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.167 6.883 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.913 5.887 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.183 5.813 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.468 5.821 -2.272 1.00 0.00 H new ATOM 391 N LEU A 23 -3.277 8.019 -6.386 1.00 0.00 N ATOM 392 CA LEU A 23 -3.588 8.744 -7.565 1.00 0.00 C ATOM 393 C LEU A 23 -5.058 9.035 -7.492 1.00 0.00 C ATOM 394 O LEU A 23 -5.889 8.131 -7.626 1.00 0.00 O ATOM 395 CB LEU A 23 -3.268 7.899 -8.805 1.00 0.00 C ATOM 396 CG LEU A 23 -1.841 7.341 -8.886 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.679 6.469 -10.115 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.817 8.464 -8.891 1.00 0.00 C ATOM 0 H LEU A 23 -3.394 7.008 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.004 9.662 -7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.967 7.063 -8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.451 8.506 -9.692 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.667 6.728 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.661 6.082 -10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.381 5.637 -10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.878 7.060 -11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.186 8.041 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.989 9.110 -9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.913 9.048 -7.975 1.00 0.00 H new ATOM 410 N LYS A 24 -5.386 10.261 -7.274 1.00 0.00 N ATOM 411 CA LYS A 24 -6.750 10.627 -7.079 1.00 0.00 C ATOM 412 C LYS A 24 -7.171 11.476 -8.237 1.00 0.00 C ATOM 413 O LYS A 24 -6.734 12.620 -8.371 1.00 0.00 O ATOM 414 CB LYS A 24 -6.887 11.382 -5.754 1.00 0.00 C ATOM 415 CG LYS A 24 -8.316 11.692 -5.318 1.00 0.00 C ATOM 416 CD LYS A 24 -8.335 12.568 -4.064 1.00 0.00 C ATOM 417 CE LYS A 24 -7.679 11.893 -2.845 1.00 0.00 C ATOM 418 NZ LYS A 24 -8.475 10.768 -2.307 1.00 0.00 N ATOM 0 H LYS A 24 -4.724 11.035 -7.226 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.391 9.747 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.406 10.796 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.338 12.320 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.844 12.198 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.849 10.762 -5.123 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.819 13.505 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.367 12.821 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.691 11.529 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.534 12.636 -2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.992 10.365 -1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.416 11.111 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.578 10.035 -3.038 1.00 0.00 H new ATOM 432 N SER A 25 -7.974 10.912 -9.091 1.00 0.00 N ATOM 433 CA SER A 25 -8.390 11.581 -10.272 1.00 0.00 C ATOM 434 C SER A 25 -9.907 11.764 -10.280 1.00 0.00 C ATOM 435 O SER A 25 -10.656 11.068 -10.993 1.00 0.00 O ATOM 436 CB SER A 25 -7.926 10.783 -11.483 1.00 0.00 C ATOM 437 OG SER A 25 -6.591 10.332 -11.274 1.00 0.00 O ATOM 0 H SER A 25 -8.356 9.973 -8.981 1.00 0.00 H new ATOM 0 HA SER A 25 -7.942 12.574 -10.308 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.587 9.932 -11.645 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.976 11.401 -12.379 1.00 0.00 H new ATOM 0 HG SER A 25 -6.294 9.817 -12.053 1.00 0.00 H new ATOM 443 N ARG A 26 -10.366 12.644 -9.429 1.00 0.00 N ATOM 444 CA ARG A 26 -11.763 13.004 -9.396 1.00 0.00 C ATOM 445 C ARG A 26 -12.012 14.102 -10.404 1.00 0.00 C ATOM 446 O ARG A 26 -13.144 14.504 -10.655 1.00 0.00 O ATOM 447 CB ARG A 26 -12.220 13.371 -7.988 1.00 0.00 C ATOM 448 CG ARG A 26 -12.113 12.200 -7.025 1.00 0.00 C ATOM 449 CD ARG A 26 -12.614 12.537 -5.642 1.00 0.00 C ATOM 450 NE ARG A 26 -12.458 11.395 -4.732 1.00 0.00 N ATOM 451 CZ ARG A 26 -12.445 11.471 -3.399 1.00 0.00 C ATOM 452 NH1 ARG A 26 -12.749 12.603 -2.786 1.00 0.00 N ATOM 453 NH2 ARG A 26 -12.164 10.397 -2.691 1.00 0.00 N ATOM 0 H ARG A 26 -9.788 13.130 -8.743 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.368 12.142 -9.676 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.617 14.200 -7.617 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.253 13.718 -8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.683 11.358 -7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.073 11.880 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.066 13.395 -5.252 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.664 12.826 -5.692 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.351 10.471 -5.151 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.996 13.428 -3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.736 12.651 -1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.958 9.516 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.152 10.446 -1.672 1.00 0.00 H new ATOM 467 N ASP A 27 -10.917 14.579 -10.975 1.00 0.00 N ATOM 468 CA ASP A 27 -10.933 15.540 -12.060 1.00 0.00 C ATOM 469 C ASP A 27 -11.442 14.829 -13.303 1.00 0.00 C ATOM 470 O ASP A 27 -12.155 15.412 -14.131 1.00 0.00 O ATOM 471 CB ASP A 27 -9.518 16.107 -12.304 1.00 0.00 C ATOM 472 CG ASP A 27 -8.533 15.092 -12.864 1.00 0.00 C ATOM 473 OD1 ASP A 27 -8.368 14.003 -12.268 1.00 0.00 O ATOM 474 OD2 ASP A 27 -7.931 15.355 -13.923 1.00 0.00 O ATOM 0 H ASP A 27 -9.977 14.303 -10.690 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.584 16.378 -11.810 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.589 16.948 -12.994 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.127 16.497 -11.364 1.00 0.00 H new ATOM 479 N ASP A 28 -11.077 13.558 -13.426 1.00 0.00 N ATOM 480 CA ASP A 28 -11.590 12.721 -14.483 1.00 0.00 C ATOM 481 C ASP A 28 -13.013 12.369 -14.159 1.00 0.00 C ATOM 482 O ASP A 28 -13.922 12.645 -14.943 1.00 0.00 O ATOM 483 CB ASP A 28 -10.761 11.456 -14.670 1.00 0.00 C ATOM 484 CG ASP A 28 -11.323 10.589 -15.776 1.00 0.00 C ATOM 485 OD1 ASP A 28 -11.144 10.937 -16.967 1.00 0.00 O ATOM 486 OD2 ASP A 28 -11.941 9.557 -15.485 1.00 0.00 O ATOM 0 H ASP A 28 -10.423 13.090 -12.798 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.535 13.272 -15.422 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.731 11.725 -14.904 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.740 10.892 -13.738 1.00 0.00 H new ATOM 491 N ASN A 29 -13.199 11.783 -12.981 1.00 0.00 N ATOM 492 CA ASN A 29 -14.523 11.484 -12.445 1.00 0.00 C ATOM 493 C ASN A 29 -14.399 10.952 -11.034 1.00 0.00 C ATOM 494 O ASN A 29 -14.719 11.645 -10.070 1.00 0.00 O ATOM 495 CB ASN A 29 -15.311 10.476 -13.306 1.00 0.00 C ATOM 496 CG ASN A 29 -16.773 10.343 -12.875 1.00 0.00 C ATOM 497 OD1 ASN A 29 -17.639 11.073 -13.364 1.00 0.00 O ATOM 498 ND2 ASN A 29 -17.071 9.428 -11.991 1.00 0.00 N ATOM 0 H ASN A 29 -12.434 11.501 -12.369 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.082 12.420 -12.453 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.272 10.788 -14.350 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.829 9.500 -13.247 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.038 9.305 -11.691 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.337 8.837 -11.601 1.00 0.00 H new ATOM 505 N SER A 30 -13.903 9.737 -10.898 1.00 0.00 N ATOM 506 CA SER A 30 -13.818 9.123 -9.590 1.00 0.00 C ATOM 507 C SER A 30 -12.714 8.092 -9.513 1.00 0.00 C ATOM 508 O SER A 30 -12.723 7.229 -8.642 1.00 0.00 O ATOM 509 CB SER A 30 -15.165 8.491 -9.276 1.00 0.00 C ATOM 510 OG SER A 30 -15.624 7.719 -10.380 1.00 0.00 O ATOM 0 H SER A 30 -13.557 9.163 -11.667 1.00 0.00 H new ATOM 0 HA SER A 30 -13.574 9.889 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.079 7.858 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.892 9.268 -9.041 1.00 0.00 H new ATOM 0 HG SER A 30 -16.491 7.318 -10.161 1.00 0.00 H new ATOM 516 N VAL A 31 -11.736 8.247 -10.348 1.00 0.00 N ATOM 517 CA VAL A 31 -10.674 7.260 -10.451 1.00 0.00 C ATOM 518 C VAL A 31 -9.677 7.430 -9.320 1.00 0.00 C ATOM 519 O VAL A 31 -8.999 8.447 -9.235 1.00 0.00 O ATOM 520 CB VAL A 31 -9.922 7.360 -11.810 1.00 0.00 C ATOM 521 CG1 VAL A 31 -8.853 6.288 -11.937 1.00 0.00 C ATOM 522 CG2 VAL A 31 -10.880 7.293 -12.977 1.00 0.00 C ATOM 0 H VAL A 31 -11.638 9.045 -10.976 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.144 6.279 -10.386 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.429 8.332 -11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.349 6.389 -12.898 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.126 6.402 -11.133 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.316 5.303 -11.872 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.322 7.366 -13.910 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.421 6.347 -12.950 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.589 8.118 -12.913 1.00 0.00 H new ATOM 532 N GLU A 32 -9.630 6.476 -8.432 1.00 0.00 N ATOM 533 CA GLU A 32 -8.639 6.466 -7.384 1.00 0.00 C ATOM 534 C GLU A 32 -7.886 5.182 -7.417 1.00 0.00 C ATOM 535 O GLU A 32 -8.370 4.128 -6.958 1.00 0.00 O ATOM 536 CB GLU A 32 -9.216 6.723 -6.007 1.00 0.00 C ATOM 537 CG GLU A 32 -9.804 8.093 -5.873 1.00 0.00 C ATOM 538 CD GLU A 32 -10.247 8.398 -4.493 1.00 0.00 C ATOM 539 OE1 GLU A 32 -9.404 8.732 -3.655 1.00 0.00 O ATOM 540 OE2 GLU A 32 -11.457 8.343 -4.223 1.00 0.00 O ATOM 0 H GLU A 32 -10.273 5.685 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.959 7.296 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.985 5.980 -5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.433 6.593 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.065 8.832 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.653 8.186 -6.551 1.00 0.00 H new ATOM 547 N LYS A 33 -6.731 5.253 -7.990 1.00 0.00 N ATOM 548 CA LYS A 33 -5.887 4.120 -8.139 1.00 0.00 C ATOM 549 C LYS A 33 -4.655 4.332 -7.321 1.00 0.00 C ATOM 550 O LYS A 33 -4.349 5.457 -6.919 1.00 0.00 O ATOM 551 CB LYS A 33 -5.562 3.867 -9.616 1.00 0.00 C ATOM 552 CG LYS A 33 -6.806 3.556 -10.440 1.00 0.00 C ATOM 553 CD LYS A 33 -6.510 3.294 -11.910 1.00 0.00 C ATOM 554 CE LYS A 33 -5.664 2.047 -12.119 1.00 0.00 C ATOM 555 NZ LYS A 33 -5.548 1.710 -13.553 1.00 0.00 N ATOM 0 H LYS A 33 -6.343 6.115 -8.373 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.398 3.226 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.065 4.744 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.861 3.036 -9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.304 2.684 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.503 4.391 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.449 3.188 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.993 4.155 -12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.671 2.205 -11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.108 1.209 -11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.966 0.855 -13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.495 1.536 -13.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.102 2.501 -14.060 1.00 0.00 H new ATOM 569 N TYR A 34 -3.964 3.295 -7.060 1.00 0.00 N ATOM 570 CA TYR A 34 -2.837 3.371 -6.199 1.00 0.00 C ATOM 571 C TYR A 34 -1.592 3.083 -6.996 1.00 0.00 C ATOM 572 O TYR A 34 -1.639 2.316 -7.970 1.00 0.00 O ATOM 573 CB TYR A 34 -3.047 2.412 -5.020 1.00 0.00 C ATOM 574 CG TYR A 34 -4.392 2.665 -4.336 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.563 3.733 -3.474 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.497 1.856 -4.592 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.790 3.990 -2.877 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.720 2.111 -3.997 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.856 3.178 -3.142 1.00 0.00 C ATOM 580 OH TYR A 34 -8.070 3.423 -2.540 1.00 0.00 O ATOM 0 H TYR A 34 -4.156 2.365 -7.433 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.718 4.369 -5.778 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.003 1.382 -5.373 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.240 2.536 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.725 4.380 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.398 1.017 -5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.901 4.829 -2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.566 1.473 -4.204 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.723 2.755 -2.836 1.00 0.00 H new ATOM 590 N VAL A 35 -0.514 3.742 -6.641 1.00 0.00 N ATOM 591 CA VAL A 35 0.729 3.627 -7.368 1.00 0.00 C ATOM 592 C VAL A 35 1.335 2.209 -7.233 1.00 0.00 C ATOM 593 O VAL A 35 1.066 1.479 -6.287 1.00 0.00 O ATOM 594 CB VAL A 35 1.760 4.722 -6.929 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.309 4.463 -5.548 1.00 0.00 C ATOM 596 CG2 VAL A 35 2.877 4.916 -7.946 1.00 0.00 C ATOM 0 H VAL A 35 -0.474 4.373 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 35 0.500 3.793 -8.421 1.00 0.00 H new ATOM 0 HB VAL A 35 1.206 5.660 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.019 5.247 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.492 4.458 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.813 3.497 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.562 5.686 -7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.419 3.979 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.450 5.222 -8.901 1.00 0.00 H new ATOM 606 N LEU A 36 2.176 1.884 -8.175 1.00 0.00 N ATOM 607 CA LEU A 36 2.835 0.600 -8.320 1.00 0.00 C ATOM 608 C LEU A 36 4.010 0.444 -7.311 1.00 0.00 C ATOM 609 O LEU A 36 4.667 -0.594 -7.257 1.00 0.00 O ATOM 610 CB LEU A 36 3.289 0.439 -9.786 1.00 0.00 C ATOM 611 CG LEU A 36 3.756 -0.946 -10.239 1.00 0.00 C ATOM 612 CD1 LEU A 36 2.654 -1.965 -10.053 1.00 0.00 C ATOM 613 CD2 LEU A 36 4.165 -0.904 -11.695 1.00 0.00 C ATOM 0 H LEU A 36 2.440 2.541 -8.909 1.00 0.00 H new ATOM 0 HA LEU A 36 2.135 -0.201 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.461 0.740 -10.428 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.103 1.142 -9.964 1.00 0.00 H new ATOM 0 HG LEU A 36 4.612 -1.236 -9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.004 -2.944 -10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.376 -2.013 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.786 -1.674 -10.644 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.496 -1.894 -12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.314 -0.596 -12.303 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.980 -0.191 -11.824 1.00 0.00 H new ATOM 625 N THR A 37 4.247 1.474 -6.520 1.00 0.00 N ATOM 626 CA THR A 37 5.380 1.560 -5.650 1.00 0.00 C ATOM 627 C THR A 37 5.081 0.918 -4.264 1.00 0.00 C ATOM 628 O THR A 37 3.960 0.955 -3.774 1.00 0.00 O ATOM 629 CB THR A 37 5.635 3.070 -5.473 1.00 0.00 C ATOM 630 OG1 THR A 37 6.018 3.661 -6.711 1.00 0.00 O ATOM 631 CG2 THR A 37 6.641 3.383 -4.411 1.00 0.00 C ATOM 0 H THR A 37 3.635 2.289 -6.472 1.00 0.00 H new ATOM 0 HA THR A 37 6.237 1.029 -6.066 1.00 0.00 H new ATOM 0 HB THR A 37 4.691 3.502 -5.140 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.174 4.620 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.771 4.463 -4.340 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.292 2.996 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.594 2.918 -4.664 1.00 0.00 H new ATOM 639 N SER A 38 6.130 0.360 -3.651 1.00 0.00 N ATOM 640 CA SER A 38 6.045 -0.353 -2.402 1.00 0.00 C ATOM 641 C SER A 38 7.077 0.160 -1.357 1.00 0.00 C ATOM 642 O SER A 38 7.466 -0.574 -0.452 1.00 0.00 O ATOM 643 CB SER A 38 6.302 -1.809 -2.726 1.00 0.00 C ATOM 644 OG SER A 38 7.447 -1.929 -3.579 1.00 0.00 O ATOM 0 H SER A 38 7.076 0.400 -4.029 1.00 0.00 H new ATOM 0 HA SER A 38 5.064 -0.202 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.464 -2.371 -1.806 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.428 -2.241 -3.214 1.00 0.00 H new ATOM 0 HG SER A 38 8.114 -2.506 -3.152 1.00 0.00 H new ATOM 650 N HIS A 39 7.499 1.421 -1.488 1.00 0.00 N ATOM 651 CA HIS A 39 8.522 2.009 -0.576 1.00 0.00 C ATOM 652 C HIS A 39 8.057 2.024 0.876 1.00 0.00 C ATOM 653 O HIS A 39 7.153 2.777 1.244 1.00 0.00 O ATOM 654 CB HIS A 39 8.926 3.447 -0.969 1.00 0.00 C ATOM 655 CG HIS A 39 9.607 3.589 -2.294 1.00 0.00 C ATOM 656 ND1 HIS A 39 9.629 4.766 -2.999 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.299 2.704 -3.034 1.00 0.00 C ATOM 658 CE1 HIS A 39 10.299 4.599 -4.114 1.00 0.00 C ATOM 659 NE2 HIS A 39 10.718 3.352 -4.159 1.00 0.00 N ATOM 0 H HIS A 39 7.160 2.061 -2.206 1.00 0.00 H new ATOM 0 HA HIS A 39 9.390 1.358 -0.679 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.031 4.068 -0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.586 3.843 -0.197 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.488 1.671 -2.784 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.476 5.354 -4.865 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.267 2.938 -4.912 1.00 0.00 H new ATOM 668 N VAL A 40 8.662 1.193 1.678 1.00 0.00 N ATOM 669 CA VAL A 40 8.342 1.121 3.084 1.00 0.00 C ATOM 670 C VAL A 40 9.222 2.003 3.921 1.00 0.00 C ATOM 671 O VAL A 40 10.369 2.283 3.570 1.00 0.00 O ATOM 672 CB VAL A 40 8.359 -0.319 3.651 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.107 -1.041 3.251 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.583 -1.092 3.168 1.00 0.00 C ATOM 0 H VAL A 40 9.391 0.545 1.380 1.00 0.00 H new ATOM 0 HA VAL A 40 7.317 1.488 3.146 1.00 0.00 H new ATOM 0 HB VAL A 40 8.409 -0.253 4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.126 -2.054 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.240 -0.511 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.043 -1.084 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.565 -2.099 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.571 -1.149 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.488 -0.581 3.495 1.00 0.00 H new ATOM 684 N SER A 41 8.672 2.449 4.995 1.00 0.00 N ATOM 685 CA SER A 41 9.362 3.226 5.939 1.00 0.00 C ATOM 686 C SER A 41 9.407 2.436 7.226 1.00 0.00 C ATOM 687 O SER A 41 8.457 1.700 7.555 1.00 0.00 O ATOM 688 CB SER A 41 8.646 4.562 6.160 1.00 0.00 C ATOM 689 OG SER A 41 9.395 5.418 7.022 1.00 0.00 O ATOM 0 H SER A 41 7.698 2.272 5.240 1.00 0.00 H new ATOM 0 HA SER A 41 10.370 3.447 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.490 5.056 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.661 4.382 6.590 1.00 0.00 H new ATOM 0 HG SER A 41 8.914 6.263 7.143 1.00 0.00 H new ATOM 695 N LYS A 42 10.495 2.542 7.926 1.00 0.00 N ATOM 696 CA LYS A 42 10.672 1.862 9.198 1.00 0.00 C ATOM 697 C LYS A 42 10.263 2.794 10.331 1.00 0.00 C ATOM 698 O LYS A 42 10.528 2.543 11.511 1.00 0.00 O ATOM 699 CB LYS A 42 12.131 1.422 9.336 1.00 0.00 C ATOM 700 CG LYS A 42 13.133 2.565 9.279 1.00 0.00 C ATOM 701 CD LYS A 42 14.563 2.068 9.179 1.00 0.00 C ATOM 702 CE LYS A 42 14.803 1.256 7.904 1.00 0.00 C ATOM 703 NZ LYS A 42 16.227 0.949 7.698 1.00 0.00 N ATOM 0 H LYS A 42 11.297 3.103 7.640 1.00 0.00 H new ATOM 0 HA LYS A 42 10.041 0.974 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.252 0.894 10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.361 0.711 8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.910 3.199 8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.027 3.184 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.244 2.919 9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.794 1.453 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.237 0.326 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.425 1.811 7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.340 0.398 6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.766 1.835 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.583 0.396 8.504 1.00 0.00 H new ATOM 717 N ASN A 43 9.589 3.850 9.960 1.00 0.00 N ATOM 718 CA ASN A 43 9.165 4.867 10.878 1.00 0.00 C ATOM 719 C ASN A 43 7.664 4.932 10.821 1.00 0.00 C ATOM 720 O ASN A 43 7.080 4.729 9.754 1.00 0.00 O ATOM 721 CB ASN A 43 9.732 6.237 10.455 1.00 0.00 C ATOM 722 CG ASN A 43 11.223 6.221 10.163 1.00 0.00 C ATOM 723 OD1 ASN A 43 12.048 6.399 11.054 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.578 6.031 8.906 1.00 0.00 N ATOM 0 H ASN A 43 9.316 4.028 8.994 1.00 0.00 H new ATOM 0 HA ASN A 43 9.518 4.632 11.882 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.201 6.581 9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.534 6.961 11.245 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.565 6.029 8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.865 5.886 8.191 1.00 0.00 H new ATOM 731 N ARG A 44 7.027 5.172 11.939 1.00 0.00 N ATOM 732 CA ARG A 44 5.587 5.324 11.934 1.00 0.00 C ATOM 733 C ARG A 44 5.236 6.785 11.832 1.00 0.00 C ATOM 734 O ARG A 44 5.896 7.623 12.456 1.00 0.00 O ATOM 735 CB ARG A 44 4.907 4.746 13.181 1.00 0.00 C ATOM 736 CG ARG A 44 5.061 3.259 13.379 1.00 0.00 C ATOM 737 CD ARG A 44 4.037 2.758 14.386 1.00 0.00 C ATOM 738 NE ARG A 44 4.185 1.331 14.680 1.00 0.00 N ATOM 739 CZ ARG A 44 3.178 0.454 14.849 1.00 0.00 C ATOM 740 NH1 ARG A 44 1.923 0.758 14.480 1.00 0.00 N ATOM 741 NH2 ARG A 44 3.447 -0.755 15.328 1.00 0.00 N ATOM 0 H ARG A 44 7.470 5.266 12.853 1.00 0.00 H new ATOM 0 HA ARG A 44 5.222 4.763 11.074 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.306 5.254 14.059 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.843 4.980 13.134 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.931 2.742 12.428 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.068 3.033 13.729 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.134 3.327 15.310 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.034 2.943 14.001 1.00 0.00 H new ATOM 0 HE ARG A 44 5.135 0.970 14.764 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.720 1.667 14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.173 0.080 14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.407 -1.009 15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.694 -1.430 15.461 1.00 0.00 H new ATOM 755 N PRO A 45 4.249 7.131 11.012 1.00 0.00 N ATOM 756 CA PRO A 45 3.768 8.491 10.934 1.00 0.00 C ATOM 757 C PRO A 45 2.832 8.789 12.102 1.00 0.00 C ATOM 758 O PRO A 45 2.154 7.884 12.623 1.00 0.00 O ATOM 759 CB PRO A 45 2.998 8.527 9.619 1.00 0.00 C ATOM 760 CG PRO A 45 2.550 7.121 9.390 1.00 0.00 C ATOM 761 CD PRO A 45 3.541 6.227 10.083 1.00 0.00 C ATOM 0 HA PRO A 45 4.570 9.228 10.978 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.148 9.207 9.679 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.629 8.877 8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.547 6.966 9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.509 6.898 8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.043 5.417 10.616 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.228 5.767 9.373 1.00 0.00 H new ATOM 769 N LYS A 46 2.784 10.015 12.513 1.00 0.00 N ATOM 770 CA LYS A 46 1.908 10.379 13.586 1.00 0.00 C ATOM 771 C LYS A 46 0.639 10.992 13.038 1.00 0.00 C ATOM 772 O LYS A 46 -0.455 10.456 13.236 1.00 0.00 O ATOM 773 CB LYS A 46 2.575 11.247 14.701 1.00 0.00 C ATOM 774 CG LYS A 46 3.336 12.502 14.259 1.00 0.00 C ATOM 775 CD LYS A 46 4.734 12.194 13.734 1.00 0.00 C ATOM 776 CE LYS A 46 5.469 13.457 13.315 1.00 0.00 C ATOM 777 NZ LYS A 46 6.841 13.169 12.848 1.00 0.00 N ATOM 0 H LYS A 46 3.337 10.780 12.126 1.00 0.00 H new ATOM 0 HA LYS A 46 1.648 9.457 14.105 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.796 11.554 15.399 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.267 10.611 15.254 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.766 13.012 13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.413 13.190 15.101 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.307 11.679 14.505 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.662 11.516 12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.912 13.954 12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.510 14.149 14.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.307 14.057 12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.381 12.718 13.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.802 12.529 12.029 1.00 0.00 H new ATOM 791 N ASN A 47 0.777 12.064 12.312 1.00 0.00 N ATOM 792 CA ASN A 47 -0.351 12.709 11.689 1.00 0.00 C ATOM 793 C ASN A 47 -0.230 12.567 10.202 1.00 0.00 C ATOM 794 O ASN A 47 0.494 13.319 9.548 1.00 0.00 O ATOM 795 CB ASN A 47 -0.478 14.192 12.082 1.00 0.00 C ATOM 796 CG ASN A 47 -1.668 14.881 11.415 1.00 0.00 C ATOM 797 OD1 ASN A 47 -1.553 15.456 10.332 1.00 0.00 O ATOM 798 ND2 ASN A 47 -2.812 14.829 12.041 1.00 0.00 N ATOM 0 H ASN A 47 1.673 12.518 12.133 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.258 12.220 12.043 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.579 14.269 13.165 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.439 14.715 11.810 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.636 15.271 11.634 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.882 14.347 12.937 1.00 0.00 H new ATOM 805 N ALA A 48 -0.828 11.544 9.703 1.00 0.00 N ATOM 806 CA ALA A 48 -0.899 11.253 8.309 1.00 0.00 C ATOM 807 C ALA A 48 -2.030 10.300 8.161 1.00 0.00 C ATOM 808 O ALA A 48 -2.432 9.683 9.154 1.00 0.00 O ATOM 809 CB ALA A 48 0.398 10.615 7.812 1.00 0.00 C ATOM 0 H ALA A 48 -1.305 10.852 10.281 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.045 12.160 7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.315 10.404 6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.229 11.300 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.577 9.686 8.353 1.00 0.00 H new ATOM 815 N ILE A 49 -2.557 10.173 6.990 1.00 0.00 N ATOM 816 CA ILE A 49 -3.639 9.255 6.784 1.00 0.00 C ATOM 817 C ILE A 49 -3.083 7.869 6.553 1.00 0.00 C ATOM 818 O ILE A 49 -2.247 7.656 5.658 1.00 0.00 O ATOM 819 CB ILE A 49 -4.558 9.679 5.604 1.00 0.00 C ATOM 820 CG1 ILE A 49 -5.227 11.037 5.894 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.606 8.607 5.300 1.00 0.00 C ATOM 822 CD1 ILE A 49 -6.092 11.066 7.150 1.00 0.00 C ATOM 0 H ILE A 49 -2.262 10.688 6.161 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.259 9.260 7.680 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.933 9.789 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.451 11.797 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.843 11.313 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.232 8.935 4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.107 7.676 5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.227 8.445 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.521 12.060 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.894 10.334 7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.480 10.825 8.019 1.00 0.00 H new ATOM 834 N VAL A 50 -3.481 6.959 7.393 1.00 0.00 N ATOM 835 CA VAL A 50 -3.071 5.602 7.268 1.00 0.00 C ATOM 836 C VAL A 50 -4.251 4.748 6.821 1.00 0.00 C ATOM 837 O VAL A 50 -5.320 4.749 7.448 1.00 0.00 O ATOM 838 CB VAL A 50 -2.399 5.036 8.567 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.143 5.824 8.916 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.351 5.021 9.756 1.00 0.00 C ATOM 0 H VAL A 50 -4.100 7.143 8.183 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.294 5.563 6.505 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.127 4.003 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.695 5.413 9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.430 5.755 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.404 6.869 9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.836 4.620 10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.686 6.037 9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.213 4.395 9.524 1.00 0.00 H new ATOM 850 N ILE A 51 -4.091 4.092 5.715 1.00 0.00 N ATOM 851 CA ILE A 51 -5.131 3.253 5.177 1.00 0.00 C ATOM 852 C ILE A 51 -4.743 1.807 5.428 1.00 0.00 C ATOM 853 O ILE A 51 -3.693 1.375 5.002 1.00 0.00 O ATOM 854 CB ILE A 51 -5.327 3.497 3.653 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.546 4.999 3.376 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.519 2.693 3.145 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.704 5.350 1.905 1.00 0.00 C ATOM 0 H ILE A 51 -3.239 4.119 5.155 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.076 3.490 5.666 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.429 3.171 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.435 5.329 3.913 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.703 5.558 3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.649 2.870 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.342 1.631 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.419 3.002 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.854 6.425 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.806 5.055 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.566 4.823 1.496 1.00 0.00 H new ATOM 869 N LYS A 52 -5.559 1.085 6.139 1.00 0.00 N ATOM 870 CA LYS A 52 -5.245 -0.284 6.510 1.00 0.00 C ATOM 871 C LYS A 52 -5.556 -1.224 5.345 1.00 0.00 C ATOM 872 O LYS A 52 -6.438 -0.920 4.533 1.00 0.00 O ATOM 873 CB LYS A 52 -6.047 -0.667 7.755 1.00 0.00 C ATOM 874 CG LYS A 52 -5.648 -1.983 8.406 1.00 0.00 C ATOM 875 CD LYS A 52 -6.463 -2.224 9.656 1.00 0.00 C ATOM 876 CE LYS A 52 -6.060 -3.504 10.358 1.00 0.00 C ATOM 877 NZ LYS A 52 -6.875 -3.731 11.566 1.00 0.00 N ATOM 0 H LYS A 52 -6.460 1.417 6.482 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.183 -0.371 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.945 0.130 8.492 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.102 -0.719 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.798 -2.803 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.587 -1.966 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.339 -1.382 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.520 -2.271 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.174 -4.347 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.006 -3.455 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.576 -4.615 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.747 -2.937 12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.878 -3.801 11.300 1.00 0.00 H new ATOM 891 N MET A 53 -4.859 -2.388 5.310 1.00 0.00 N ATOM 892 CA MET A 53 -4.945 -3.405 4.212 1.00 0.00 C ATOM 893 C MET A 53 -6.375 -3.685 3.783 1.00 0.00 C ATOM 894 O MET A 53 -6.657 -3.843 2.605 1.00 0.00 O ATOM 895 CB MET A 53 -4.317 -4.748 4.637 1.00 0.00 C ATOM 896 CG MET A 53 -2.824 -4.730 4.933 1.00 0.00 C ATOM 897 SD MET A 53 -2.215 -6.383 5.371 1.00 0.00 S ATOM 898 CE MET A 53 -0.486 -6.054 5.701 1.00 0.00 C ATOM 0 H MET A 53 -4.211 -2.657 6.050 1.00 0.00 H new ATOM 0 HA MET A 53 -4.396 -2.971 3.376 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.838 -5.103 5.526 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.501 -5.477 3.848 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.283 -4.361 4.062 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.622 -4.038 5.750 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.014 -6.981 5.982 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.016 -5.646 4.806 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.402 -5.335 6.516 1.00 0.00 H new ATOM 908 N ASP A 54 -7.263 -3.670 4.751 1.00 0.00 N ATOM 909 CA ASP A 54 -8.683 -3.999 4.578 1.00 0.00 C ATOM 910 C ASP A 54 -9.372 -3.140 3.501 1.00 0.00 C ATOM 911 O ASP A 54 -10.301 -3.601 2.815 1.00 0.00 O ATOM 912 CB ASP A 54 -9.404 -3.849 5.922 1.00 0.00 C ATOM 913 CG ASP A 54 -10.860 -4.245 5.867 1.00 0.00 C ATOM 914 OD1 ASP A 54 -11.146 -5.447 5.766 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.739 -3.362 5.951 1.00 0.00 O ATOM 0 H ASP A 54 -7.023 -3.424 5.711 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.741 -5.031 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.897 -4.460 6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.329 -2.813 6.253 1.00 0.00 H new ATOM 920 N ASN A 55 -8.881 -1.931 3.310 1.00 0.00 N ATOM 921 CA ASN A 55 -9.482 -1.003 2.351 1.00 0.00 C ATOM 922 C ASN A 55 -8.796 -1.094 0.971 1.00 0.00 C ATOM 923 O ASN A 55 -9.297 -0.572 -0.023 1.00 0.00 O ATOM 924 CB ASN A 55 -9.417 0.440 2.906 1.00 0.00 C ATOM 925 CG ASN A 55 -10.144 1.474 2.042 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.336 1.690 2.207 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.430 2.149 1.162 1.00 0.00 N ATOM 0 H ASN A 55 -8.068 -1.561 3.802 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.526 -1.282 2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.847 0.452 3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.372 0.734 3.004 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.871 2.874 0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.437 1.946 1.047 1.00 0.00 H new ATOM 934 N LEU A 56 -7.682 -1.786 0.898 1.00 0.00 N ATOM 935 CA LEU A 56 -6.932 -1.855 -0.351 1.00 0.00 C ATOM 936 C LEU A 56 -7.382 -3.024 -1.216 1.00 0.00 C ATOM 937 O LEU A 56 -7.739 -4.088 -0.695 1.00 0.00 O ATOM 938 CB LEU A 56 -5.397 -1.913 -0.135 1.00 0.00 C ATOM 939 CG LEU A 56 -4.694 -0.635 0.362 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.983 0.554 -0.545 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.056 -0.328 1.794 1.00 0.00 C ATOM 0 H LEU A 56 -7.273 -2.306 1.674 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.152 -0.925 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.189 -2.709 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.936 -2.203 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.621 -0.822 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.470 1.437 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.629 0.337 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.057 0.740 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.543 0.579 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.133 -0.183 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.754 -1.159 2.432 1.00 0.00 H new ATOM 953 N PRO A 57 -7.399 -2.831 -2.554 1.00 0.00 N ATOM 954 CA PRO A 57 -7.746 -3.887 -3.512 1.00 0.00 C ATOM 955 C PRO A 57 -6.729 -5.032 -3.482 1.00 0.00 C ATOM 956 O PRO A 57 -5.567 -4.842 -3.047 1.00 0.00 O ATOM 957 CB PRO A 57 -7.682 -3.175 -4.871 1.00 0.00 C ATOM 958 CG PRO A 57 -7.798 -1.733 -4.557 1.00 0.00 C ATOM 959 CD PRO A 57 -7.115 -1.559 -3.245 1.00 0.00 C ATOM 0 HA PRO A 57 -8.715 -4.335 -3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.746 -3.392 -5.386 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.490 -3.502 -5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.328 -1.124 -5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.842 -1.426 -4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.044 -1.395 -3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.508 -0.704 -2.695 1.00 0.00 H new ATOM 967 N ILE A 58 -7.138 -6.200 -3.970 1.00 0.00 N ATOM 968 CA ILE A 58 -6.288 -7.375 -3.951 1.00 0.00 C ATOM 969 C ILE A 58 -4.995 -7.191 -4.734 1.00 0.00 C ATOM 970 O ILE A 58 -3.958 -7.626 -4.285 1.00 0.00 O ATOM 971 CB ILE A 58 -7.038 -8.723 -4.293 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.811 -8.700 -5.641 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.975 -9.113 -3.160 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.957 -8.849 -6.890 1.00 0.00 C ATOM 0 H ILE A 58 -8.058 -6.353 -4.384 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.991 -7.484 -2.908 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.255 -9.473 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.549 -9.502 -5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.361 -7.761 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.483 -10.044 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.401 -9.250 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.713 -8.325 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.595 -8.820 -7.773 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.235 -8.033 -6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.427 -9.801 -6.857 1.00 0.00 H new ATOM 986 N GLU A 59 -5.063 -6.482 -5.866 1.00 0.00 N ATOM 987 CA GLU A 59 -3.881 -6.178 -6.680 1.00 0.00 C ATOM 988 C GLU A 59 -2.847 -5.410 -5.885 1.00 0.00 C ATOM 989 O GLU A 59 -1.681 -5.772 -5.868 1.00 0.00 O ATOM 990 CB GLU A 59 -4.262 -5.370 -7.925 1.00 0.00 C ATOM 991 CG GLU A 59 -4.436 -6.184 -9.195 1.00 0.00 C ATOM 992 CD GLU A 59 -3.115 -6.734 -9.699 1.00 0.00 C ATOM 993 OE1 GLU A 59 -2.342 -5.973 -10.360 1.00 0.00 O ATOM 994 OE2 GLU A 59 -2.811 -7.918 -9.448 1.00 0.00 O ATOM 0 H GLU A 59 -5.933 -6.105 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.453 -7.132 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.192 -4.838 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.494 -4.616 -8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.124 -7.008 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.888 -5.561 -9.967 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.295 -4.381 -5.196 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.404 -3.517 -4.442 1.00 0.00 C ATOM 1003 C VAL A 60 -1.775 -4.283 -3.294 1.00 0.00 C ATOM 1004 O VAL A 60 -0.546 -4.306 -3.155 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.136 -2.255 -3.912 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.183 -1.328 -3.162 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.811 -1.512 -5.054 1.00 0.00 C ATOM 0 H VAL A 60 -4.279 -4.119 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.619 -3.181 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.899 -2.586 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.730 -0.455 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.753 -1.859 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.385 -1.007 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.319 -0.630 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.061 -1.206 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.538 -2.167 -5.535 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.611 -4.965 -2.517 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.131 -5.725 -1.375 1.00 0.00 C ATOM 1019 C LYS A 61 -1.175 -6.805 -1.813 1.00 0.00 C ATOM 1020 O LYS A 61 -0.158 -7.023 -1.174 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.272 -6.339 -0.583 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.233 -5.324 -0.005 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.245 -5.974 0.916 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.114 -6.996 0.210 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.045 -7.628 1.154 1.00 0.00 N ATOM 0 H LYS A 61 -3.620 -5.005 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.607 -5.025 -0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.825 -7.021 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.857 -6.936 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.675 -4.566 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.753 -4.813 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.721 -6.458 1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.881 -5.203 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.673 -6.513 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.486 -7.757 -0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.631 -8.324 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.507 -8.106 1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.658 -6.901 1.576 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.492 -7.441 -2.919 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.673 -8.504 -3.494 1.00 0.00 C ATOM 1041 C ASP A 62 0.737 -8.020 -3.804 1.00 0.00 C ATOM 1042 O ASP A 62 1.709 -8.682 -3.455 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.346 -9.059 -4.754 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.536 -10.098 -5.468 1.00 0.00 C ATOM 1045 OD1 ASP A 62 -0.237 -11.152 -4.883 1.00 0.00 O ATOM 1046 OD2 ASP A 62 -0.237 -9.902 -6.653 1.00 0.00 O ATOM 0 H ASP A 62 -2.335 -7.238 -3.457 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.586 -9.302 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.310 -9.489 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.547 -8.235 -5.439 1.00 0.00 H new ATOM 1051 N LYS A 63 0.851 -6.836 -4.392 1.00 0.00 N ATOM 1052 CA LYS A 63 2.168 -6.280 -4.738 1.00 0.00 C ATOM 1053 C LYS A 63 2.950 -5.955 -3.472 1.00 0.00 C ATOM 1054 O LYS A 63 4.161 -6.215 -3.381 1.00 0.00 O ATOM 1055 CB LYS A 63 2.008 -5.028 -5.589 1.00 0.00 C ATOM 1056 CG LYS A 63 1.174 -5.263 -6.818 1.00 0.00 C ATOM 1057 CD LYS A 63 0.972 -4.002 -7.614 1.00 0.00 C ATOM 1058 CE LYS A 63 -0.103 -4.202 -8.666 1.00 0.00 C ATOM 1059 NZ LYS A 63 0.203 -5.310 -9.594 1.00 0.00 N ATOM 0 H LYS A 63 0.060 -6.241 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 63 2.719 -7.025 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.549 -4.242 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.993 -4.668 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.656 -6.014 -7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.204 -5.666 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.690 -3.186 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.908 -3.714 -8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.055 -4.399 -8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.224 -3.280 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.626 -5.501 -10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.010 -5.047 -10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.441 -6.163 -9.049 1.00 0.00 H new ATOM 1073 N LEU A 64 2.242 -5.416 -2.490 1.00 0.00 N ATOM 1074 CA LEU A 64 2.818 -5.085 -1.193 1.00 0.00 C ATOM 1075 C LEU A 64 3.316 -6.365 -0.517 1.00 0.00 C ATOM 1076 O LEU A 64 4.415 -6.412 0.070 1.00 0.00 O ATOM 1077 CB LEU A 64 1.759 -4.409 -0.302 1.00 0.00 C ATOM 1078 CG LEU A 64 1.106 -3.126 -0.844 1.00 0.00 C ATOM 1079 CD1 LEU A 64 0.112 -2.569 0.163 1.00 0.00 C ATOM 1080 CD2 LEU A 64 2.149 -2.076 -1.200 1.00 0.00 C ATOM 0 H LEU A 64 1.249 -5.195 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 64 3.652 -4.398 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.969 -5.134 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.222 -4.174 0.656 1.00 0.00 H new ATOM 0 HG LEU A 64 0.572 -3.386 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.341 -1.661 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.666 -3.309 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.629 -2.337 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.652 -1.183 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.726 -1.820 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.817 -2.472 -1.965 1.00 0.00 H new ATOM 1092 N THR A 65 2.512 -7.401 -0.650 1.00 0.00 N ATOM 1093 CA THR A 65 2.787 -8.707 -0.110 1.00 0.00 C ATOM 1094 C THR A 65 4.083 -9.293 -0.712 1.00 0.00 C ATOM 1095 O THR A 65 4.967 -9.759 0.026 1.00 0.00 O ATOM 1096 CB THR A 65 1.569 -9.653 -0.367 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.398 -9.122 0.278 1.00 0.00 O ATOM 1098 CG2 THR A 65 1.815 -11.058 0.137 1.00 0.00 C ATOM 0 H THR A 65 1.625 -7.350 -1.152 1.00 0.00 H new ATOM 0 HA THR A 65 2.939 -8.617 0.966 1.00 0.00 H new ATOM 0 HB THR A 65 1.423 -9.705 -1.446 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.080 -8.535 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.940 -11.676 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.682 -11.480 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.000 -11.032 1.211 1.00 0.00 H new ATOM 1106 N ARG A 66 4.217 -9.189 -2.033 1.00 0.00 N ATOM 1107 CA ARG A 66 5.367 -9.748 -2.742 1.00 0.00 C ATOM 1108 C ARG A 66 6.669 -9.019 -2.403 1.00 0.00 C ATOM 1109 O ARG A 66 7.739 -9.629 -2.409 1.00 0.00 O ATOM 1110 CB ARG A 66 5.166 -9.714 -4.268 1.00 0.00 C ATOM 1111 CG ARG A 66 3.913 -10.409 -4.777 1.00 0.00 C ATOM 1112 CD ARG A 66 3.860 -10.387 -6.298 1.00 0.00 C ATOM 1113 NE ARG A 66 2.541 -10.773 -6.820 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.304 -11.361 -8.002 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.298 -11.849 -8.741 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.060 -11.468 -8.424 1.00 0.00 N ATOM 0 H ARG A 66 3.541 -8.721 -2.636 1.00 0.00 H new ATOM 0 HA ARG A 66 5.445 -10.783 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.140 -8.673 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.034 -10.173 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.895 -11.440 -4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.029 -9.917 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.109 -9.387 -6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.617 -11.064 -6.695 1.00 0.00 H new ATOM 0 HE ARG A 66 1.733 -10.576 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.261 -11.779 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.097 -12.293 -9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.295 -11.106 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.862 -11.912 -9.321 1.00 0.00 H new ATOM 1130 N PHE A 67 6.596 -7.727 -2.112 1.00 0.00 N ATOM 1131 CA PHE A 67 7.824 -6.970 -1.892 1.00 0.00 C ATOM 1132 C PHE A 67 8.307 -6.999 -0.446 1.00 0.00 C ATOM 1133 O PHE A 67 9.415 -7.462 -0.168 1.00 0.00 O ATOM 1134 CB PHE A 67 7.707 -5.508 -2.388 1.00 0.00 C ATOM 1135 CG PHE A 67 9.019 -4.732 -2.301 1.00 0.00 C ATOM 1136 CD1 PHE A 67 10.082 -5.080 -3.116 1.00 0.00 C ATOM 1137 CD2 PHE A 67 9.190 -3.664 -1.409 1.00 0.00 C ATOM 1138 CE1 PHE A 67 11.279 -4.398 -3.048 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.389 -2.983 -1.347 1.00 0.00 C ATOM 1140 CZ PHE A 67 11.433 -3.351 -2.163 1.00 0.00 C ATOM 0 H PHE A 67 5.731 -7.194 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 67 8.578 -7.480 -2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.362 -5.509 -3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.948 -4.992 -1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.973 -5.896 -3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.375 -3.371 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 67 12.099 -4.685 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.507 -2.161 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.373 -2.821 -2.111 1.00 0.00 H new ATOM 1150 N PHE A 68 7.487 -6.540 0.471 1.00 0.00 N ATOM 1151 CA PHE A 68 7.972 -6.344 1.831 1.00 0.00 C ATOM 1152 C PHE A 68 7.279 -7.189 2.880 1.00 0.00 C ATOM 1153 O PHE A 68 7.747 -7.254 4.022 1.00 0.00 O ATOM 1154 CB PHE A 68 7.896 -4.863 2.217 1.00 0.00 C ATOM 1155 CG PHE A 68 6.511 -4.275 2.129 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.595 -4.465 3.146 1.00 0.00 C ATOM 1157 CD2 PHE A 68 6.131 -3.523 1.035 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.342 -3.926 3.068 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.881 -2.979 0.956 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.983 -3.180 1.977 1.00 0.00 C ATOM 0 H PHE A 68 6.508 -6.299 0.315 1.00 0.00 H new ATOM 0 HA PHE A 68 9.008 -6.682 1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.265 -4.745 3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.562 -4.295 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.873 -5.046 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.833 -3.363 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.634 -4.088 3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.599 -2.393 0.094 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.994 -2.750 1.919 1.00 0.00 H new ATOM 1170 N LEU A 69 6.155 -7.784 2.553 1.00 0.00 N ATOM 1171 CA LEU A 69 5.466 -8.574 3.542 1.00 0.00 C ATOM 1172 C LEU A 69 6.157 -9.928 3.641 1.00 0.00 C ATOM 1173 O LEU A 69 6.453 -10.425 4.737 1.00 0.00 O ATOM 1174 CB LEU A 69 3.993 -8.722 3.191 1.00 0.00 C ATOM 1175 CG LEU A 69 3.076 -9.164 4.329 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.058 -8.112 5.438 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.674 -9.412 3.812 1.00 0.00 C ATOM 0 H LEU A 69 5.710 -7.738 1.637 1.00 0.00 H new ATOM 0 HA LEU A 69 5.507 -8.076 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.633 -7.766 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.904 -9.443 2.378 1.00 0.00 H new ATOM 0 HG LEU A 69 3.462 -10.096 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.400 -8.442 6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.067 -7.977 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.694 -7.166 5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.033 -9.726 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.280 -8.495 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.699 -10.194 3.053 1.00 0.00 H new ATOM 1189 N LEU A 70 6.456 -10.491 2.490 1.00 0.00 N ATOM 1190 CA LEU A 70 7.221 -11.703 2.398 1.00 0.00 C ATOM 1191 C LEU A 70 8.672 -11.356 2.358 1.00 0.00 C ATOM 1192 O LEU A 70 9.289 -11.279 1.302 1.00 0.00 O ATOM 1193 CB LEU A 70 6.838 -12.589 1.200 1.00 0.00 C ATOM 1194 CG LEU A 70 5.621 -13.509 1.372 1.00 0.00 C ATOM 1195 CD1 LEU A 70 4.375 -12.732 1.717 1.00 0.00 C ATOM 1196 CD2 LEU A 70 5.406 -14.329 0.113 1.00 0.00 C ATOM 0 H LEU A 70 6.170 -10.112 1.587 1.00 0.00 H new ATOM 0 HA LEU A 70 6.994 -12.299 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.653 -11.940 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.698 -13.209 0.949 1.00 0.00 H new ATOM 0 HG LEU A 70 5.826 -14.181 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.537 -13.420 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.530 -12.192 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.156 -12.022 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.541 -14.978 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.233 -13.661 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.290 -14.937 -0.080 1.00 0.00 H new ATOM 1208 N GLU A 71 9.149 -11.000 3.505 1.00 0.00 N ATOM 1209 CA GLU A 71 10.543 -10.685 3.733 1.00 0.00 C ATOM 1210 C GLU A 71 11.370 -11.936 3.448 1.00 0.00 C ATOM 1211 O GLU A 71 12.048 -12.043 2.423 1.00 0.00 O ATOM 1212 CB GLU A 71 10.709 -10.251 5.193 1.00 0.00 C ATOM 1213 CG GLU A 71 9.775 -9.133 5.580 1.00 0.00 C ATOM 1214 CD GLU A 71 9.753 -8.861 7.051 1.00 0.00 C ATOM 1215 OE1 GLU A 71 8.976 -9.527 7.772 1.00 0.00 O ATOM 1216 OE2 GLU A 71 10.454 -7.935 7.510 1.00 0.00 O ATOM 0 H GLU A 71 8.572 -10.914 4.342 1.00 0.00 H new ATOM 0 HA GLU A 71 10.878 -9.878 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.533 -11.107 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.738 -9.932 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.070 -8.225 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.767 -9.380 5.248 1.00 0.00 H new ATOM 1223 N HIS A 72 11.256 -12.886 4.336 1.00 0.00 N ATOM 1224 CA HIS A 72 11.876 -14.179 4.202 1.00 0.00 C ATOM 1225 C HIS A 72 11.032 -15.160 5.012 1.00 0.00 C ATOM 1226 O HIS A 72 11.432 -16.290 5.299 1.00 0.00 O ATOM 1227 CB HIS A 72 13.331 -14.118 4.719 1.00 0.00 C ATOM 1228 CG HIS A 72 14.111 -15.396 4.572 1.00 0.00 C ATOM 1229 ND1 HIS A 72 14.771 -16.001 5.613 1.00 0.00 N ATOM 1230 CD2 HIS A 72 14.325 -16.179 3.497 1.00 0.00 C ATOM 1231 CE1 HIS A 72 15.351 -17.093 5.184 1.00 0.00 C ATOM 1232 NE2 HIS A 72 15.095 -17.223 3.907 1.00 0.00 N ATOM 0 H HIS A 72 10.716 -12.781 5.195 1.00 0.00 H new ATOM 0 HA HIS A 72 11.921 -14.499 3.161 1.00 0.00 H new ATOM 0 HB2 HIS A 72 13.857 -13.325 4.187 1.00 0.00 H new ATOM 0 HB3 HIS A 72 13.315 -13.839 5.772 1.00 0.00 H new ATOM 0 HD2 HIS A 72 13.955 -16.010 2.497 1.00 0.00 H new ATOM 0 HE1 HIS A 72 15.941 -17.772 5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 72 15.421 -17.986 3.314 1.00 0.00 H new ATOM 1241 N HIS A 73 9.826 -14.717 5.334 1.00 0.00 N ATOM 1242 CA HIS A 73 8.912 -15.476 6.151 1.00 0.00 C ATOM 1243 C HIS A 73 7.528 -14.842 6.103 1.00 0.00 C ATOM 1244 O HIS A 73 7.397 -13.620 6.163 1.00 0.00 O ATOM 1245 CB HIS A 73 9.417 -15.541 7.617 1.00 0.00 C ATOM 1246 CG HIS A 73 8.536 -16.316 8.566 1.00 0.00 C ATOM 1247 ND1 HIS A 73 8.044 -15.784 9.734 1.00 0.00 N ATOM 1248 CD2 HIS A 73 8.088 -17.596 8.530 1.00 0.00 C ATOM 1249 CE1 HIS A 73 7.345 -16.688 10.367 1.00 0.00 C ATOM 1250 NE2 HIS A 73 7.351 -17.792 9.662 1.00 0.00 N ATOM 0 H HIS A 73 9.459 -13.815 5.031 1.00 0.00 H new ATOM 0 HA HIS A 73 8.855 -16.492 5.760 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.411 -15.988 7.623 1.00 0.00 H new ATOM 0 HB3 HIS A 73 9.523 -14.524 7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.278 -18.322 7.753 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.845 -16.548 11.314 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.880 -18.660 9.918 1.00 0.00 H new ATOM 1259 N HIS A 74 6.532 -15.667 5.935 1.00 0.00 N ATOM 1260 CA HIS A 74 5.141 -15.275 6.052 1.00 0.00 C ATOM 1261 C HIS A 74 4.632 -16.043 7.256 1.00 0.00 C ATOM 1262 O HIS A 74 4.997 -17.197 7.420 1.00 0.00 O ATOM 1263 CB HIS A 74 4.353 -15.674 4.780 1.00 0.00 C ATOM 1264 CG HIS A 74 2.909 -15.233 4.777 1.00 0.00 C ATOM 1265 ND1 HIS A 74 1.859 -16.069 5.076 1.00 0.00 N ATOM 1266 CD2 HIS A 74 2.353 -14.026 4.506 1.00 0.00 C ATOM 1267 CE1 HIS A 74 0.728 -15.398 4.996 1.00 0.00 C ATOM 1268 NE2 HIS A 74 1.002 -14.160 4.653 1.00 0.00 N ATOM 0 H HIS A 74 6.660 -16.653 5.708 1.00 0.00 H new ATOM 0 HA HIS A 74 5.021 -14.197 6.164 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.852 -15.248 3.910 1.00 0.00 H new ATOM 0 HB3 HIS A 74 4.389 -16.758 4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.881 -13.126 4.226 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.258 -15.798 5.181 1.00 0.00 H new ATOM 0 HE2 HIS A 74 0.316 -13.418 4.518 1.00 0.00 H new ATOM 1277 N HIS A 75 3.844 -15.444 8.108 1.00 0.00 N ATOM 1278 CA HIS A 75 3.458 -16.157 9.309 1.00 0.00 C ATOM 1279 C HIS A 75 1.980 -16.453 9.387 1.00 0.00 C ATOM 1280 O HIS A 75 1.162 -15.848 8.687 1.00 0.00 O ATOM 1281 CB HIS A 75 3.990 -15.510 10.619 1.00 0.00 C ATOM 1282 CG HIS A 75 3.473 -14.140 10.971 1.00 0.00 C ATOM 1283 ND1 HIS A 75 2.457 -13.935 11.864 1.00 0.00 N ATOM 1284 CD2 HIS A 75 3.896 -12.910 10.605 1.00 0.00 C ATOM 1285 CE1 HIS A 75 2.278 -12.650 12.038 1.00 0.00 C ATOM 1286 NE2 HIS A 75 3.137 -12.004 11.286 1.00 0.00 N ATOM 0 H HIS A 75 3.466 -14.502 8.007 1.00 0.00 H new ATOM 0 HA HIS A 75 3.960 -17.121 9.221 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.757 -16.181 11.446 1.00 0.00 H new ATOM 0 HB3 HIS A 75 5.076 -15.453 10.551 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.687 -12.686 9.904 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.546 -12.198 12.691 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.223 -10.990 11.221 1.00 0.00 H new ATOM 1295 N HIS A 76 1.685 -17.421 10.215 1.00 0.00 N ATOM 1296 CA HIS A 76 0.363 -17.927 10.522 1.00 0.00 C ATOM 1297 C HIS A 76 0.622 -18.977 11.576 1.00 0.00 C ATOM 1298 O HIS A 76 1.748 -19.480 11.644 1.00 0.00 O ATOM 1299 CB HIS A 76 -0.332 -18.572 9.270 1.00 0.00 C ATOM 1300 CG HIS A 76 0.321 -19.834 8.754 1.00 0.00 C ATOM 1301 ND1 HIS A 76 -0.274 -21.070 8.814 1.00 0.00 N ATOM 1302 CD2 HIS A 76 1.529 -20.034 8.192 1.00 0.00 C ATOM 1303 CE1 HIS A 76 0.541 -21.970 8.322 1.00 0.00 C ATOM 1304 NE2 HIS A 76 1.648 -21.370 7.937 1.00 0.00 N ATOM 0 H HIS A 76 2.412 -17.915 10.732 1.00 0.00 H new ATOM 0 HA HIS A 76 -0.310 -17.134 10.848 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.368 -18.795 9.524 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -0.352 -17.837 8.466 1.00 0.00 H new ATOM 0 HD2 HIS A 76 2.269 -19.276 7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 76 0.339 -23.028 8.245 1.00 0.00 H new ATOM 0 HE2 HIS A 76 2.458 -21.827 7.519 1.00 0.00 H new ATOM 1313 N HIS A 77 -0.320 -19.305 12.382 1.00 0.00 N ATOM 1314 CA HIS A 77 -0.068 -20.295 13.390 1.00 0.00 C ATOM 1315 C HIS A 77 -0.974 -21.478 13.161 1.00 0.00 C ATOM 1316 O HIS A 77 -0.620 -22.350 12.352 1.00 0.00 O ATOM 1317 CB HIS A 77 -0.239 -19.704 14.796 1.00 0.00 C ATOM 1318 CG HIS A 77 0.127 -20.644 15.900 1.00 0.00 C ATOM 1319 ND1 HIS A 77 -0.797 -21.286 16.689 1.00 0.00 N ATOM 1320 CD2 HIS A 77 1.336 -21.039 16.351 1.00 0.00 C ATOM 1321 CE1 HIS A 77 -0.177 -22.027 17.567 1.00 0.00 C ATOM 1322 NE2 HIS A 77 1.115 -21.897 17.384 1.00 0.00 N ATOM 1323 OXT HIS A 77 -2.057 -21.524 13.732 1.00 0.00 O ATOM 0 H HIS A 77 -1.263 -18.916 12.374 1.00 0.00 H new ATOM 0 HA HIS A 77 0.966 -20.633 13.318 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.374 -18.807 14.879 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.276 -19.395 14.925 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.297 -20.732 15.965 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.649 -22.643 18.318 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.839 -22.365 17.929 1.00 0.00 H new TER 1332 HIS A 77