USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 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 52 SER OG : rot -164:sc= 2.19 USER MOD Set 1.2: A 55 SER OG : rot -76:sc= 1.13 USER MOD Set 2.1: A 29 SER OG : rot 171:sc= 0.21! USER MOD Set 2.2: A 36 HIS : no HE2:sc= 1.38 K(o=1.6,f=-8!) USER MOD Single : A 1 GLU N :NH3+ 171:sc= 0.146! (180deg=-0.226!) USER MOD Single : A 7 THR OG1 : rot -94:sc= 0.575 USER MOD Single : A 16 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 1.06 K(o=1.1,f=-0.0072) USER MOD Single : A 34 GLN : amide:sc= 1.11 K(o=1.1,f=-4.4!) USER MOD Single : A 40 TYR OH : rot -41:sc= 1.11 USER MOD Single : A 46 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.7) USER MOD Single : A 48 ASN : amide:sc= 1.44 K(o=1.4,f=-7.2!) USER MOD Single : A 49 ASN : amide:sc= 0.822 K(o=0.82,f=-4!) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HE2:sc= 0.856 K(o=0.86,f=-3.5!) USER MOD Single : A 66 HIS : no HE2:sc= 0.37 K(o=0.37,f=-2!) USER MOD Single : A 67 HIS : no HE2:sc= -0.853 K(o=-0.85,f=-4!) USER MOD Single : A 68 HIS : no HE2:sc= 0.206 K(o=0.21,f=-2) USER MOD Single : A 69 HIS : no HD1:sc= -3.68 K(o=-3.7,f=-5.6) USER MOD Single : A 70 HIS : no HD1:sc= 0.395 K(o=1.9,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.009 -4.900 -10.597 1.00 1.00 N ATOM 2 CA GLU A 1 -15.949 -6.376 -10.582 1.00 1.00 C ATOM 3 C GLU A 1 -15.824 -6.836 -9.135 1.00 1.00 C ATOM 4 O GLU A 1 -15.078 -6.216 -8.386 1.00 1.00 O ATOM 5 CB GLU A 1 -14.779 -6.945 -11.409 1.00 1.00 C ATOM 6 CG GLU A 1 -14.992 -6.912 -12.930 1.00 1.00 C ATOM 7 CD GLU A 1 -14.934 -5.490 -13.483 1.00 1.00 C ATOM 8 OE1 GLU A 1 -15.945 -4.781 -13.284 1.00 1.00 O ATOM 9 OE2 GLU A 1 -13.866 -5.099 -13.993 1.00 1.00 O ATOM 0 H1 GLU A 1 -15.941 -4.560 -11.577 1.00 1.00 H new ATOM 0 H2 GLU A 1 -16.909 -4.585 -10.183 1.00 1.00 H new ATOM 0 H3 GLU A 1 -15.219 -4.515 -10.041 1.00 1.00 H new ATOM 0 HA GLU A 1 -16.863 -6.751 -11.042 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -13.876 -6.383 -11.170 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -14.603 -7.976 -11.103 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -14.231 -7.522 -13.416 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -15.958 -7.356 -13.171 1.00 1.00 H new ATOM 18 N ALA A 2 -16.520 -7.915 -8.750 1.00 1.00 N ATOM 19 CA ALA A 2 -16.844 -8.286 -7.368 1.00 1.00 C ATOM 20 C ALA A 2 -15.714 -8.106 -6.342 1.00 1.00 C ATOM 21 O ALA A 2 -15.941 -7.532 -5.281 1.00 1.00 O ATOM 22 CB ALA A 2 -17.365 -9.729 -7.341 1.00 1.00 C ATOM 0 H ALA A 2 -16.889 -8.583 -9.427 1.00 1.00 H new ATOM 0 HA ALA A 2 -17.609 -7.578 -7.049 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -17.607 -10.009 -6.316 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -18.260 -9.804 -7.959 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -16.599 -10.400 -7.729 1.00 1.00 H new ATOM 28 N GLU A 3 -14.513 -8.613 -6.626 1.00 1.00 N ATOM 29 CA GLU A 3 -13.377 -8.545 -5.701 1.00 1.00 C ATOM 30 C GLU A 3 -12.887 -7.108 -5.460 1.00 1.00 C ATOM 31 O GLU A 3 -12.236 -6.856 -4.446 1.00 1.00 O ATOM 32 CB GLU A 3 -12.221 -9.424 -6.210 1.00 1.00 C ATOM 33 CG GLU A 3 -12.554 -10.921 -6.137 1.00 1.00 C ATOM 34 CD GLU A 3 -11.346 -11.783 -6.522 1.00 1.00 C ATOM 35 OE1 GLU A 3 -11.188 -12.039 -7.737 1.00 1.00 O ATOM 36 OE2 GLU A 3 -10.597 -12.181 -5.600 1.00 1.00 O ATOM 0 H GLU A 3 -14.299 -9.084 -7.505 1.00 1.00 H new ATOM 0 HA GLU A 3 -13.729 -8.923 -4.741 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -11.989 -9.155 -7.241 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -11.327 -9.223 -5.619 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -12.877 -11.175 -5.127 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -13.388 -11.143 -6.803 1.00 1.00 H new ATOM 43 N ALA A 4 -13.152 -6.188 -6.393 1.00 1.00 N ATOM 44 CA ALA A 4 -12.674 -4.810 -6.421 1.00 1.00 C ATOM 45 C ALA A 4 -13.725 -3.761 -6.012 1.00 1.00 C ATOM 46 O ALA A 4 -13.365 -2.588 -5.924 1.00 1.00 O ATOM 47 CB ALA A 4 -12.147 -4.509 -7.830 1.00 1.00 C ATOM 0 H ALA A 4 -13.743 -6.403 -7.196 1.00 1.00 H new ATOM 0 HA ALA A 4 -11.886 -4.730 -5.672 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -11.785 -3.482 -7.871 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -11.331 -5.192 -8.067 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -12.951 -4.639 -8.555 1.00 1.00 H new ATOM 53 N GLU A 5 -14.996 -4.129 -5.785 1.00 1.00 N ATOM 54 CA GLU A 5 -16.044 -3.126 -5.523 1.00 1.00 C ATOM 55 C GLU A 5 -15.840 -2.452 -4.155 1.00 1.00 C ATOM 56 O GLU A 5 -16.119 -1.267 -3.976 1.00 1.00 O ATOM 57 CB GLU A 5 -17.468 -3.726 -5.554 1.00 1.00 C ATOM 58 CG GLU A 5 -17.796 -4.790 -6.613 1.00 1.00 C ATOM 59 CD GLU A 5 -17.693 -4.390 -8.088 1.00 1.00 C ATOM 60 OE1 GLU A 5 -16.970 -3.442 -8.455 1.00 1.00 O ATOM 61 OE2 GLU A 5 -18.212 -5.160 -8.930 1.00 1.00 O ATOM 0 H GLU A 5 -15.321 -5.096 -5.777 1.00 1.00 H new ATOM 0 HA GLU A 5 -15.954 -2.394 -6.326 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -17.664 -4.162 -4.575 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -18.171 -2.903 -5.683 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -17.133 -5.639 -6.450 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -18.812 -5.140 -6.432 1.00 1.00 H new ATOM 68 N PHE A 6 -15.388 -3.229 -3.168 1.00 1.00 N ATOM 69 CA PHE A 6 -15.079 -2.825 -1.806 1.00 1.00 C ATOM 70 C PHE A 6 -13.963 -3.775 -1.393 1.00 1.00 C ATOM 71 O PHE A 6 -14.211 -4.972 -1.228 1.00 1.00 O ATOM 72 CB PHE A 6 -16.324 -2.948 -0.915 1.00 1.00 C ATOM 73 CG PHE A 6 -16.067 -2.603 0.540 1.00 1.00 C ATOM 74 CD1 PHE A 6 -16.153 -1.268 0.976 1.00 1.00 C ATOM 75 CD2 PHE A 6 -15.725 -3.615 1.457 1.00 1.00 C ATOM 76 CE1 PHE A 6 -15.906 -0.947 2.324 1.00 1.00 C ATOM 77 CE2 PHE A 6 -15.475 -3.295 2.804 1.00 1.00 C ATOM 78 CZ PHE A 6 -15.568 -1.960 3.238 1.00 1.00 C ATOM 0 H PHE A 6 -15.219 -4.224 -3.316 1.00 1.00 H new ATOM 0 HA PHE A 6 -14.771 -1.783 -1.715 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -17.104 -2.293 -1.303 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -16.705 -3.967 -0.976 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -16.409 -0.488 0.275 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -15.654 -4.640 1.125 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -15.976 0.078 2.656 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -15.212 -4.074 3.504 1.00 1.00 H new ATOM 0 HZ PHE A 6 -15.380 -1.714 4.273 1.00 1.00 H new ATOM 88 N THR A 7 -12.745 -3.264 -1.227 1.00 1.00 N ATOM 89 CA THR A 7 -11.585 -4.112 -0.979 1.00 1.00 C ATOM 90 C THR A 7 -10.623 -3.419 -0.011 1.00 1.00 C ATOM 91 O THR A 7 -10.860 -2.294 0.437 1.00 1.00 O ATOM 92 CB THR A 7 -10.897 -4.319 -2.354 1.00 1.00 C ATOM 93 OG1 THR A 7 -11.844 -4.467 -3.387 1.00 1.00 O ATOM 94 CG2 THR A 7 -9.998 -5.559 -2.421 1.00 1.00 C ATOM 0 H THR A 7 -12.537 -2.266 -1.260 1.00 1.00 H new ATOM 0 HA THR A 7 -11.877 -5.062 -0.532 1.00 1.00 H new ATOM 0 HB THR A 7 -10.289 -3.423 -2.480 1.00 1.00 H new ATOM 0 HG1 THR A 7 -12.025 -5.419 -3.531 1.00 1.00 H new ATOM 0 HG21 THR A 7 -9.554 -5.633 -3.414 1.00 1.00 H new ATOM 0 HG22 THR A 7 -9.207 -5.476 -1.675 1.00 1.00 H new ATOM 0 HG23 THR A 7 -10.592 -6.451 -2.222 1.00 1.00 H new ATOM 102 N ASP A 8 -9.537 -4.115 0.333 1.00 1.00 N ATOM 103 CA ASP A 8 -8.440 -3.577 1.123 1.00 1.00 C ATOM 104 C ASP A 8 -7.897 -2.385 0.333 1.00 1.00 C ATOM 105 O ASP A 8 -7.810 -2.452 -0.900 1.00 1.00 O ATOM 106 CB ASP A 8 -7.363 -4.661 1.285 1.00 1.00 C ATOM 107 CG ASP A 8 -6.192 -4.242 2.178 1.00 1.00 C ATOM 108 OD1 ASP A 8 -5.608 -3.159 1.956 1.00 1.00 O ATOM 109 OD2 ASP A 8 -5.860 -5.052 3.074 1.00 1.00 O ATOM 0 H ASP A 8 -9.398 -5.088 0.062 1.00 1.00 H new ATOM 0 HA ASP A 8 -8.755 -3.268 2.120 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -7.823 -5.557 1.702 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -6.979 -4.928 0.300 1.00 1.00 H new ATOM 114 N ALA A 9 -7.523 -1.301 1.022 1.00 1.00 N ATOM 115 CA ALA A 9 -7.020 -0.103 0.369 1.00 1.00 C ATOM 116 C ALA A 9 -5.859 -0.420 -0.570 1.00 1.00 C ATOM 117 O ALA A 9 -5.694 0.291 -1.550 1.00 1.00 O ATOM 118 CB ALA A 9 -6.569 0.945 1.390 1.00 1.00 C ATOM 0 H ALA A 9 -7.563 -1.236 2.039 1.00 1.00 H new ATOM 0 HA ALA A 9 -7.847 0.302 -0.215 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -6.199 1.827 0.867 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -7.413 1.225 2.021 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -5.774 0.531 2.010 1.00 1.00 H new ATOM 124 N CYS A 10 -5.072 -1.466 -0.323 1.00 1.00 N ATOM 125 CA CYS A 10 -3.949 -1.808 -1.179 1.00 1.00 C ATOM 126 C CYS A 10 -4.368 -2.037 -2.643 1.00 1.00 C ATOM 127 O CYS A 10 -3.575 -1.785 -3.549 1.00 1.00 O ATOM 128 CB CYS A 10 -3.225 -3.007 -0.563 1.00 1.00 C ATOM 129 SG CYS A 10 -3.990 -4.630 -0.779 1.00 1.00 S ATOM 0 H CYS A 10 -5.198 -2.093 0.472 1.00 1.00 H new ATOM 0 HA CYS A 10 -3.258 -0.966 -1.229 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.220 -3.048 -0.983 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -3.116 -2.824 0.506 1.00 1.00 H new ATOM 134 N VAL A 11 -5.598 -2.489 -2.902 1.00 1.00 N ATOM 135 CA VAL A 11 -6.119 -2.671 -4.258 1.00 1.00 C ATOM 136 C VAL A 11 -6.545 -1.322 -4.862 1.00 1.00 C ATOM 137 O VAL A 11 -6.436 -1.133 -6.075 1.00 1.00 O ATOM 138 CB VAL A 11 -7.264 -3.713 -4.209 1.00 1.00 C ATOM 139 CG1 VAL A 11 -7.981 -3.934 -5.550 1.00 1.00 C ATOM 140 CG2 VAL A 11 -6.695 -5.068 -3.743 1.00 1.00 C ATOM 0 H VAL A 11 -6.264 -2.740 -2.171 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.344 -3.056 -4.921 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.003 -3.310 -3.516 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -8.767 -4.678 -5.424 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -8.421 -2.995 -5.886 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -7.264 -4.285 -6.292 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -7.496 -5.806 -3.706 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -5.928 -5.400 -4.442 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -6.258 -4.957 -2.750 1.00 1.00 H new ATOM 150 N LEU A 12 -6.995 -0.375 -4.035 1.00 1.00 N ATOM 151 CA LEU A 12 -7.406 0.963 -4.442 1.00 1.00 C ATOM 152 C LEU A 12 -6.251 1.769 -5.023 1.00 1.00 C ATOM 153 O LEU A 12 -5.210 1.889 -4.379 1.00 1.00 O ATOM 154 CB LEU A 12 -8.138 1.661 -3.292 1.00 1.00 C ATOM 155 CG LEU A 12 -8.252 3.193 -3.214 1.00 1.00 C ATOM 156 CD1 LEU A 12 -9.028 3.825 -4.379 1.00 1.00 C ATOM 157 CD2 LEU A 12 -8.997 3.515 -1.908 1.00 1.00 C ATOM 0 H LEU A 12 -7.085 -0.528 -3.031 1.00 1.00 H new ATOM 0 HA LEU A 12 -8.118 0.878 -5.263 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -9.155 1.268 -3.281 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -7.660 1.333 -2.369 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.244 3.606 -3.258 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.063 4.907 -4.249 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -8.529 3.589 -5.319 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -10.043 3.429 -4.397 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -9.103 4.595 -1.807 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -9.984 3.054 -1.929 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -8.432 3.125 -1.061 1.00 1.00 H new ATOM 169 N PRO A 13 -6.424 2.342 -6.226 1.00 1.00 N ATOM 170 CA PRO A 13 -5.453 3.233 -6.833 1.00 1.00 C ATOM 171 C PRO A 13 -5.004 4.347 -5.879 1.00 1.00 C ATOM 172 O PRO A 13 -5.736 4.769 -4.979 1.00 1.00 O ATOM 173 CB PRO A 13 -6.143 3.811 -8.072 1.00 1.00 C ATOM 174 CG PRO A 13 -7.190 2.758 -8.443 1.00 1.00 C ATOM 175 CD PRO A 13 -7.558 2.113 -7.107 1.00 1.00 C ATOM 0 HA PRO A 13 -4.541 2.693 -7.088 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -6.606 4.774 -7.857 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.434 3.972 -8.884 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -8.059 3.211 -8.920 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -6.788 2.025 -9.142 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -8.466 2.555 -6.697 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.749 1.047 -7.228 1.00 1.00 H new ATOM 183 N ALA A 14 -3.798 4.857 -6.116 1.00 1.00 N ATOM 184 CA ALA A 14 -3.260 5.990 -5.382 1.00 1.00 C ATOM 185 C ALA A 14 -3.844 7.287 -5.945 1.00 1.00 C ATOM 186 O ALA A 14 -4.214 7.350 -7.117 1.00 1.00 O ATOM 187 CB ALA A 14 -1.733 5.993 -5.505 1.00 1.00 C ATOM 0 H ALA A 14 -3.166 4.491 -6.828 1.00 1.00 H new ATOM 0 HA ALA A 14 -3.530 5.913 -4.329 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -1.325 6.842 -4.956 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.333 5.067 -5.092 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.453 6.072 -6.555 1.00 1.00 H new ATOM 193 N VAL A 15 -3.840 8.341 -5.133 1.00 1.00 N ATOM 194 CA VAL A 15 -4.228 9.700 -5.487 1.00 1.00 C ATOM 195 C VAL A 15 -3.177 10.600 -4.847 1.00 1.00 C ATOM 196 O VAL A 15 -2.643 10.278 -3.786 1.00 1.00 O ATOM 197 CB VAL A 15 -5.653 9.993 -4.972 1.00 1.00 C ATOM 198 CG1 VAL A 15 -6.027 11.482 -4.902 1.00 1.00 C ATOM 199 CG2 VAL A 15 -6.700 9.275 -5.838 1.00 1.00 C ATOM 0 H VAL A 15 -3.550 8.264 -4.158 1.00 1.00 H new ATOM 0 HA VAL A 15 -4.263 9.865 -6.564 1.00 1.00 H new ATOM 0 HB VAL A 15 -5.651 9.618 -3.948 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -7.046 11.584 -4.529 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.341 11.998 -4.230 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -5.959 11.921 -5.897 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -7.698 9.494 -5.459 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -6.619 9.621 -6.868 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -6.526 8.200 -5.802 1.00 1.00 H new ATOM 209 N GLN A 16 -2.886 11.720 -5.505 1.00 1.00 N ATOM 210 CA GLN A 16 -1.935 12.704 -5.005 1.00 1.00 C ATOM 211 C GLN A 16 -2.570 13.436 -3.824 1.00 1.00 C ATOM 212 O GLN A 16 -2.078 13.333 -2.705 1.00 1.00 O ATOM 213 CB GLN A 16 -1.485 13.683 -6.105 1.00 1.00 C ATOM 214 CG GLN A 16 -0.781 12.974 -7.275 1.00 1.00 C ATOM 215 CD GLN A 16 -0.011 13.934 -8.183 1.00 1.00 C ATOM 216 OE1 GLN A 16 -0.247 13.988 -9.381 1.00 1.00 O ATOM 217 NE2 GLN A 16 0.937 14.695 -7.657 1.00 1.00 N ATOM 0 H GLN A 16 -3.305 11.969 -6.401 1.00 1.00 H new ATOM 0 HA GLN A 16 -1.031 12.192 -4.674 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -2.353 14.224 -6.482 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.810 14.423 -5.674 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -0.093 12.228 -6.878 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -1.523 12.440 -7.868 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.132 14.648 -6.657 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.472 15.328 -8.252 1.00 1.00 H new ATOM 226 N GLY A 17 -3.662 14.153 -4.078 1.00 1.00 N ATOM 227 CA GLY A 17 -4.372 14.990 -3.124 1.00 1.00 C ATOM 228 C GLY A 17 -4.526 16.399 -3.696 1.00 1.00 C ATOM 229 O GLY A 17 -3.932 16.695 -4.735 1.00 1.00 O ATOM 0 H GLY A 17 -4.094 14.164 -5.002 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -5.352 14.564 -2.910 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -3.827 15.027 -2.181 1.00 1.00 H new ATOM 233 N PRO A 18 -5.318 17.276 -3.060 1.00 1.00 N ATOM 234 CA PRO A 18 -5.614 18.602 -3.593 1.00 1.00 C ATOM 235 C PRO A 18 -4.471 19.608 -3.389 1.00 1.00 C ATOM 236 O PRO A 18 -4.496 20.692 -3.981 1.00 1.00 O ATOM 237 CB PRO A 18 -6.888 19.037 -2.859 1.00 1.00 C ATOM 238 CG PRO A 18 -6.802 18.318 -1.512 1.00 1.00 C ATOM 239 CD PRO A 18 -6.098 17.007 -1.859 1.00 1.00 C ATOM 0 HA PRO A 18 -5.742 18.569 -4.675 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -6.926 20.119 -2.732 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -7.784 18.749 -3.409 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -6.237 18.897 -0.782 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -7.790 18.144 -1.085 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -5.455 16.681 -1.041 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -6.821 16.210 -2.034 1.00 1.00 H new ATOM 247 N CYS A 19 -3.494 19.314 -2.527 1.00 1.00 N ATOM 248 CA CYS A 19 -2.401 20.221 -2.188 1.00 1.00 C ATOM 249 C CYS A 19 -1.373 20.337 -3.315 1.00 1.00 C ATOM 250 O CYS A 19 -1.556 19.816 -4.411 1.00 1.00 O ATOM 251 CB CYS A 19 -1.781 19.800 -0.850 1.00 1.00 C ATOM 252 SG CYS A 19 -2.985 20.010 0.472 1.00 1.00 S ATOM 0 H CYS A 19 -3.442 18.421 -2.037 1.00 1.00 H new ATOM 0 HA CYS A 19 -2.803 21.227 -2.070 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -1.459 18.760 -0.899 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -0.894 20.399 -0.645 1.00 1.00 H new ATOM 257 N ARG A 20 -0.308 21.103 -3.067 1.00 1.00 N ATOM 258 CA ARG A 20 0.836 21.243 -3.970 1.00 1.00 C ATOM 259 C ARG A 20 2.180 20.978 -3.284 1.00 1.00 C ATOM 260 O ARG A 20 3.236 21.196 -3.868 1.00 1.00 O ATOM 261 CB ARG A 20 0.779 22.591 -4.690 1.00 1.00 C ATOM 262 CG ARG A 20 -0.175 22.587 -5.905 1.00 1.00 C ATOM 263 CD ARG A 20 -1.360 23.554 -5.796 1.00 1.00 C ATOM 264 NE ARG A 20 -2.417 23.097 -4.870 1.00 1.00 N ATOM 265 CZ ARG A 20 -3.167 23.873 -4.071 1.00 1.00 C ATOM 266 NH1 ARG A 20 -2.909 25.174 -3.936 1.00 1.00 N ATOM 267 NH2 ARG A 20 -4.181 23.347 -3.398 1.00 1.00 N ATOM 0 H ARG A 20 -0.215 21.655 -2.214 1.00 1.00 H new ATOM 0 HA ARG A 20 0.761 20.462 -4.727 1.00 1.00 H new ATOM 0 HB2 ARG A 20 0.459 23.359 -3.986 1.00 1.00 H new ATOM 0 HB3 ARG A 20 1.781 22.861 -5.023 1.00 1.00 H new ATOM 0 HG2 ARG A 20 0.397 22.835 -6.799 1.00 1.00 H new ATOM 0 HG3 ARG A 20 -0.560 21.577 -6.043 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -0.995 24.526 -5.465 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -1.793 23.697 -6.786 1.00 1.00 H new ATOM 0 HE ARG A 20 -2.594 22.093 -4.834 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -2.131 25.595 -4.444 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -3.489 25.748 -3.325 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -4.391 22.353 -3.487 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -4.751 23.936 -2.791 1.00 1.00 H new ATOM 281 N GLY A 21 2.126 20.589 -2.017 1.00 1.00 N ATOM 282 CA GLY A 21 3.288 20.149 -1.259 1.00 1.00 C ATOM 283 C GLY A 21 3.394 18.673 -1.650 1.00 1.00 C ATOM 284 O GLY A 21 2.363 18.072 -1.957 1.00 1.00 O ATOM 0 H GLY A 21 1.259 20.570 -1.479 1.00 1.00 H new ATOM 0 HA2 GLY A 21 4.185 20.707 -1.529 1.00 1.00 H new ATOM 0 HA3 GLY A 21 3.145 20.276 -0.186 1.00 1.00 H new ATOM 288 N TRP A 22 4.572 18.057 -1.596 1.00 1.00 N ATOM 289 CA TRP A 22 4.771 16.709 -2.082 1.00 1.00 C ATOM 290 C TRP A 22 5.531 15.929 -1.025 1.00 1.00 C ATOM 291 O TRP A 22 6.568 16.356 -0.524 1.00 1.00 O ATOM 292 CB TRP A 22 5.492 16.757 -3.435 1.00 1.00 C ATOM 293 CG TRP A 22 4.786 17.528 -4.524 1.00 1.00 C ATOM 294 CD1 TRP A 22 5.363 18.494 -5.271 1.00 1.00 C ATOM 295 CD2 TRP A 22 3.383 17.483 -4.959 1.00 1.00 C ATOM 296 NE1 TRP A 22 4.429 19.060 -6.112 1.00 1.00 N ATOM 297 CE2 TRP A 22 3.184 18.494 -5.947 1.00 1.00 C ATOM 298 CE3 TRP A 22 2.243 16.730 -4.598 1.00 1.00 C ATOM 299 CZ2 TRP A 22 1.928 18.759 -6.520 1.00 1.00 C ATOM 300 CZ3 TRP A 22 0.976 16.991 -5.152 1.00 1.00 C ATOM 301 CH2 TRP A 22 0.815 18.004 -6.112 1.00 1.00 C ATOM 0 H TRP A 22 5.413 18.486 -1.211 1.00 1.00 H new ATOM 0 HA TRP A 22 3.823 16.198 -2.253 1.00 1.00 H new ATOM 0 HB2 TRP A 22 6.479 17.196 -3.285 1.00 1.00 H new ATOM 0 HB3 TRP A 22 5.647 15.735 -3.780 1.00 1.00 H new ATOM 0 HD1 TRP A 22 6.403 18.781 -5.217 1.00 1.00 H new ATOM 0 HE1 TRP A 22 4.635 19.807 -6.776 1.00 1.00 H new ATOM 0 HE3 TRP A 22 2.347 15.932 -3.877 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 1.820 19.534 -7.265 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 0.122 16.409 -4.837 1.00 1.00 H new ATOM 0 HH2 TRP A 22 -0.159 18.202 -6.534 1.00 1.00 H new ATOM 312 N GLU A 23 4.951 14.791 -0.697 1.00 1.00 N ATOM 313 CA GLU A 23 5.289 13.834 0.337 1.00 1.00 C ATOM 314 C GLU A 23 5.429 12.463 -0.365 1.00 1.00 C ATOM 315 O GLU A 23 4.449 11.982 -0.935 1.00 1.00 O ATOM 316 CB GLU A 23 4.137 13.917 1.365 1.00 1.00 C ATOM 317 CG GLU A 23 4.091 12.834 2.435 1.00 1.00 C ATOM 318 CD GLU A 23 5.208 12.874 3.474 1.00 1.00 C ATOM 319 OE1 GLU A 23 6.316 12.400 3.160 1.00 1.00 O ATOM 320 OE2 GLU A 23 4.858 12.989 4.670 1.00 1.00 O ATOM 0 H GLU A 23 4.130 14.478 -1.215 1.00 1.00 H new ATOM 0 HA GLU A 23 6.224 14.015 0.867 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.196 14.885 1.863 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.193 13.896 0.820 1.00 1.00 H new ATOM 0 HG2 GLU A 23 3.135 12.904 2.955 1.00 1.00 H new ATOM 0 HG3 GLU A 23 4.115 11.862 1.942 1.00 1.00 H new ATOM 327 N PRO A 24 6.614 11.829 -0.426 1.00 1.00 N ATOM 328 CA PRO A 24 6.785 10.500 -1.021 1.00 1.00 C ATOM 329 C PRO A 24 6.078 9.449 -0.171 1.00 1.00 C ATOM 330 O PRO A 24 6.224 9.360 1.055 1.00 1.00 O ATOM 331 CB PRO A 24 8.300 10.275 -1.070 1.00 1.00 C ATOM 332 CG PRO A 24 8.830 11.118 0.089 1.00 1.00 C ATOM 333 CD PRO A 24 7.874 12.309 0.124 1.00 1.00 C ATOM 0 HA PRO A 24 6.348 10.424 -2.017 1.00 1.00 H new ATOM 0 HB2 PRO A 24 8.552 9.222 -0.947 1.00 1.00 H new ATOM 0 HB3 PRO A 24 8.722 10.595 -2.023 1.00 1.00 H new ATOM 0 HG2 PRO A 24 8.817 10.564 1.028 1.00 1.00 H new ATOM 0 HG3 PRO A 24 9.859 11.433 -0.081 1.00 1.00 H new ATOM 0 HD2 PRO A 24 7.741 12.673 1.143 1.00 1.00 H new ATOM 0 HD3 PRO A 24 8.265 13.140 -0.463 1.00 1.00 H new ATOM 341 N ARG A 25 5.309 8.607 -0.849 1.00 1.00 N ATOM 342 CA ARG A 25 4.649 7.453 -0.262 1.00 1.00 C ATOM 343 C ARG A 25 4.864 6.266 -1.166 1.00 1.00 C ATOM 344 O ARG A 25 5.462 6.388 -2.230 1.00 1.00 O ATOM 345 CB ARG A 25 3.159 7.756 -0.031 1.00 1.00 C ATOM 346 CG ARG A 25 2.941 8.715 1.140 1.00 1.00 C ATOM 347 CD ARG A 25 3.347 8.071 2.470 1.00 1.00 C ATOM 348 NE ARG A 25 3.054 8.962 3.590 1.00 1.00 N ATOM 349 CZ ARG A 25 3.893 9.878 4.084 1.00 1.00 C ATOM 350 NH1 ARG A 25 5.159 9.941 3.668 1.00 1.00 N ATOM 351 NH2 ARG A 25 3.451 10.723 5.009 1.00 1.00 N ATOM 0 H ARG A 25 5.124 8.712 -1.847 1.00 1.00 H new ATOM 0 HA ARG A 25 5.075 7.220 0.714 1.00 1.00 H new ATOM 0 HB2 ARG A 25 2.733 8.188 -0.937 1.00 1.00 H new ATOM 0 HB3 ARG A 25 2.626 6.825 0.160 1.00 1.00 H new ATOM 0 HG2 ARG A 25 3.521 9.624 0.981 1.00 1.00 H new ATOM 0 HG3 ARG A 25 1.892 9.010 1.181 1.00 1.00 H new ATOM 0 HD2 ARG A 25 2.814 7.129 2.600 1.00 1.00 H new ATOM 0 HD3 ARG A 25 4.411 7.836 2.455 1.00 1.00 H new ATOM 0 HE ARG A 25 2.137 8.879 4.030 1.00 1.00 H new ATOM 0 HH11 ARG A 25 5.498 9.285 2.964 1.00 1.00 H new ATOM 0 HH12 ARG A 25 5.788 10.645 4.054 1.00 1.00 H new ATOM 0 HH21 ARG A 25 2.485 10.667 5.331 1.00 1.00 H new ATOM 0 HH22 ARG A 25 4.078 11.428 5.397 1.00 1.00 H new ATOM 365 N TRP A 26 4.399 5.113 -0.719 1.00 1.00 N ATOM 366 CA TRP A 26 4.377 3.857 -1.429 1.00 1.00 C ATOM 367 C TRP A 26 2.914 3.440 -1.500 1.00 1.00 C ATOM 368 O TRP A 26 2.169 3.696 -0.553 1.00 1.00 O ATOM 369 CB TRP A 26 5.243 2.842 -0.666 1.00 1.00 C ATOM 370 CG TRP A 26 6.722 3.061 -0.763 1.00 1.00 C ATOM 371 CD1 TRP A 26 7.428 4.043 -0.157 1.00 1.00 C ATOM 372 CD2 TRP A 26 7.683 2.319 -1.561 1.00 1.00 C ATOM 373 NE1 TRP A 26 8.753 3.965 -0.540 1.00 1.00 N ATOM 374 CE2 TRP A 26 8.958 2.943 -1.445 1.00 1.00 C ATOM 375 CE3 TRP A 26 7.592 1.184 -2.387 1.00 1.00 C ATOM 376 CZ2 TRP A 26 10.076 2.489 -2.160 1.00 1.00 C ATOM 377 CZ3 TRP A 26 8.664 0.811 -3.216 1.00 1.00 C ATOM 378 CH2 TRP A 26 9.914 1.438 -3.081 1.00 1.00 C ATOM 0 H TRP A 26 4.000 5.030 0.216 1.00 1.00 H new ATOM 0 HA TRP A 26 4.786 3.925 -2.437 1.00 1.00 H new ATOM 0 HB2 TRP A 26 4.957 2.864 0.386 1.00 1.00 H new ATOM 0 HB3 TRP A 26 5.015 1.843 -1.038 1.00 1.00 H new ATOM 0 HD1 TRP A 26 7.018 4.776 0.522 1.00 1.00 H new ATOM 0 HE1 TRP A 26 9.487 4.584 -0.197 1.00 1.00 H new ATOM 0 HE3 TRP A 26 6.688 0.593 -2.384 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 11.046 2.939 -2.006 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 8.526 0.040 -3.959 1.00 1.00 H new ATOM 0 HH2 TRP A 26 10.750 1.114 -3.684 1.00 1.00 H new ATOM 389 N ALA A 27 2.498 2.833 -2.609 1.00 1.00 N ATOM 390 CA ALA A 27 1.164 2.266 -2.780 1.00 1.00 C ATOM 391 C ALA A 27 1.304 0.902 -3.438 1.00 1.00 C ATOM 392 O ALA A 27 2.180 0.729 -4.297 1.00 1.00 O ATOM 393 CB ALA A 27 0.276 3.169 -3.644 1.00 1.00 C ATOM 0 H ALA A 27 3.092 2.720 -3.431 1.00 1.00 H new ATOM 0 HA ALA A 27 0.690 2.176 -1.803 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -0.710 2.716 -3.750 1.00 1.00 H new ATOM 0 HB2 ALA A 27 0.177 4.145 -3.168 1.00 1.00 H new ATOM 0 HB3 ALA A 27 0.728 3.289 -4.629 1.00 1.00 H new ATOM 399 N TYR A 28 0.453 -0.050 -3.055 1.00 1.00 N ATOM 400 CA TYR A 28 0.407 -1.358 -3.691 1.00 1.00 C ATOM 401 C TYR A 28 -0.347 -1.254 -5.005 1.00 1.00 C ATOM 402 O TYR A 28 -1.263 -0.450 -5.163 1.00 1.00 O ATOM 403 CB TYR A 28 -0.277 -2.403 -2.803 1.00 1.00 C ATOM 404 CG TYR A 28 -0.296 -3.817 -3.384 1.00 1.00 C ATOM 405 CD1 TYR A 28 0.880 -4.591 -3.442 1.00 1.00 C ATOM 406 CD2 TYR A 28 -1.495 -4.375 -3.875 1.00 1.00 C ATOM 407 CE1 TYR A 28 0.869 -5.884 -3.993 1.00 1.00 C ATOM 408 CE2 TYR A 28 -1.521 -5.674 -4.411 1.00 1.00 C ATOM 409 CZ TYR A 28 -0.334 -6.433 -4.483 1.00 1.00 C ATOM 410 OH TYR A 28 -0.339 -7.684 -5.019 1.00 1.00 O ATOM 0 H TYR A 28 -0.220 0.067 -2.297 1.00 1.00 H new ATOM 0 HA TYR A 28 1.434 -1.680 -3.861 1.00 1.00 H new ATOM 0 HB2 TYR A 28 0.229 -2.428 -1.838 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -1.303 -2.087 -2.617 1.00 1.00 H new ATOM 0 HD1 TYR A 28 1.804 -4.185 -3.057 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -2.406 -3.796 -3.839 1.00 1.00 H new ATOM 0 HE1 TYR A 28 1.783 -6.458 -4.041 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -2.451 -6.092 -4.768 1.00 1.00 H new ATOM 0 HH TYR A 28 -1.247 -7.912 -5.308 1.00 1.00 H new ATOM 420 N SER A 29 0.169 -1.916 -6.026 1.00 1.00 N ATOM 421 CA SER A 29 -0.457 -2.065 -7.315 1.00 1.00 C ATOM 422 C SER A 29 -0.720 -3.555 -7.531 1.00 1.00 C ATOM 423 O SER A 29 0.260 -4.288 -7.710 1.00 1.00 O ATOM 424 CB SER A 29 0.449 -1.360 -8.310 1.00 1.00 C ATOM 425 OG SER A 29 0.237 0.018 -8.060 1.00 1.00 O ATOM 0 H SER A 29 1.075 -2.382 -5.970 1.00 1.00 H new ATOM 0 HA SER A 29 -1.437 -1.600 -7.427 1.00 1.00 H new ATOM 0 HB2 SER A 29 1.493 -1.635 -8.162 1.00 1.00 H new ATOM 0 HB3 SER A 29 0.193 -1.622 -9.337 1.00 1.00 H new ATOM 0 HG SER A 29 0.888 0.546 -8.567 1.00 1.00 H new ATOM 431 N PRO A 30 -1.984 -4.014 -7.587 1.00 1.00 N ATOM 432 CA PRO A 30 -2.290 -5.410 -7.878 1.00 1.00 C ATOM 433 C PRO A 30 -1.899 -5.759 -9.316 1.00 1.00 C ATOM 434 O PRO A 30 -1.364 -6.833 -9.557 1.00 1.00 O ATOM 435 CB PRO A 30 -3.793 -5.574 -7.622 1.00 1.00 C ATOM 436 CG PRO A 30 -4.352 -4.166 -7.811 1.00 1.00 C ATOM 437 CD PRO A 30 -3.213 -3.266 -7.340 1.00 1.00 C ATOM 0 HA PRO A 30 -1.723 -6.095 -7.247 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -4.243 -6.280 -8.320 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -3.989 -5.950 -6.618 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -4.612 -3.973 -8.852 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -5.256 -4.011 -7.223 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -3.211 -2.321 -7.884 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -3.318 -3.025 -6.282 1.00 1.00 H new ATOM 445 N LEU A 31 -2.068 -4.820 -10.255 1.00 1.00 N ATOM 446 CA LEU A 31 -1.679 -4.976 -11.655 1.00 1.00 C ATOM 447 C LEU A 31 -0.161 -5.072 -11.836 1.00 1.00 C ATOM 448 O LEU A 31 0.301 -5.488 -12.891 1.00 1.00 O ATOM 449 CB LEU A 31 -2.258 -3.831 -12.494 1.00 1.00 C ATOM 450 CG LEU A 31 -3.737 -4.081 -12.839 1.00 1.00 C ATOM 451 CD1 LEU A 31 -4.344 -2.777 -13.343 1.00 1.00 C ATOM 452 CD2 LEU A 31 -3.928 -5.163 -13.912 1.00 1.00 C ATOM 0 H LEU A 31 -2.488 -3.912 -10.055 1.00 1.00 H new ATOM 0 HA LEU A 31 -2.094 -5.921 -12.005 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.164 -2.893 -11.947 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -1.681 -3.723 -13.413 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.230 -4.434 -11.933 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.393 -2.936 -13.592 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.267 -2.016 -12.567 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.806 -2.445 -14.231 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -4.992 -5.294 -14.112 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -3.421 -4.860 -14.828 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -3.507 -6.104 -13.559 1.00 1.00 H new ATOM 464 N LEU A 32 0.618 -4.663 -10.829 1.00 1.00 N ATOM 465 CA LEU A 32 2.071 -4.815 -10.799 1.00 1.00 C ATOM 466 C LEU A 32 2.469 -5.922 -9.819 1.00 1.00 C ATOM 467 O LEU A 32 3.653 -6.226 -9.693 1.00 1.00 O ATOM 468 CB LEU A 32 2.691 -3.484 -10.366 1.00 1.00 C ATOM 469 CG LEU A 32 2.776 -2.455 -11.510 1.00 1.00 C ATOM 470 CD1 LEU A 32 3.089 -1.063 -10.945 1.00 1.00 C ATOM 471 CD2 LEU A 32 3.862 -2.820 -12.531 1.00 1.00 C ATOM 0 H LEU A 32 0.245 -4.208 -9.996 1.00 1.00 H new ATOM 0 HA LEU A 32 2.433 -5.090 -11.790 1.00 1.00 H new ATOM 0 HB2 LEU A 32 2.102 -3.064 -9.551 1.00 1.00 H new ATOM 0 HB3 LEU A 32 3.692 -3.667 -9.975 1.00 1.00 H new ATOM 0 HG LEU A 32 1.809 -2.457 -12.013 1.00 1.00 H new ATOM 0 HD11 LEU A 32 3.147 -0.343 -11.762 1.00 1.00 H new ATOM 0 HD12 LEU A 32 2.300 -0.765 -10.254 1.00 1.00 H new ATOM 0 HD13 LEU A 32 4.042 -1.090 -10.417 1.00 1.00 H new ATOM 0 HD21 LEU A 32 3.887 -2.068 -13.320 1.00 1.00 H new ATOM 0 HD22 LEU A 32 4.831 -2.857 -12.034 1.00 1.00 H new ATOM 0 HD23 LEU A 32 3.640 -3.795 -12.966 1.00 1.00 H new ATOM 483 N GLN A 33 1.487 -6.489 -9.110 1.00 1.00 N ATOM 484 CA GLN A 33 1.600 -7.465 -8.044 1.00 1.00 C ATOM 485 C GLN A 33 2.657 -7.032 -7.012 1.00 1.00 C ATOM 486 O GLN A 33 3.362 -7.868 -6.439 1.00 1.00 O ATOM 487 CB GLN A 33 1.817 -8.846 -8.689 1.00 1.00 C ATOM 488 CG GLN A 33 1.446 -9.988 -7.735 1.00 1.00 C ATOM 489 CD GLN A 33 2.576 -11.003 -7.566 1.00 1.00 C ATOM 490 OE1 GLN A 33 2.446 -12.176 -7.891 1.00 1.00 O ATOM 491 NE2 GLN A 33 3.716 -10.584 -7.041 1.00 1.00 N ATOM 0 H GLN A 33 0.512 -6.249 -9.291 1.00 1.00 H new ATOM 0 HA GLN A 33 0.686 -7.535 -7.454 1.00 1.00 H new ATOM 0 HB2 GLN A 33 1.217 -8.921 -9.596 1.00 1.00 H new ATOM 0 HB3 GLN A 33 2.860 -8.947 -8.988 1.00 1.00 H new ATOM 0 HG2 GLN A 33 1.187 -9.573 -6.761 1.00 1.00 H new ATOM 0 HG3 GLN A 33 0.559 -10.497 -8.111 1.00 1.00 H new ATOM 0 HE21 GLN A 33 3.824 -9.607 -6.770 1.00 1.00 H new ATOM 0 HE22 GLN A 33 4.487 -11.238 -6.907 1.00 1.00 H new ATOM 500 N GLN A 34 2.812 -5.719 -6.796 1.00 1.00 N ATOM 501 CA GLN A 34 3.865 -5.172 -5.947 1.00 1.00 C ATOM 502 C GLN A 34 3.557 -3.711 -5.643 1.00 1.00 C ATOM 503 O GLN A 34 2.706 -3.082 -6.273 1.00 1.00 O ATOM 504 CB GLN A 34 5.211 -5.288 -6.699 1.00 1.00 C ATOM 505 CG GLN A 34 6.524 -4.991 -5.960 1.00 1.00 C ATOM 506 CD GLN A 34 6.565 -5.390 -4.490 1.00 1.00 C ATOM 507 OE1 GLN A 34 6.589 -4.510 -3.640 1.00 1.00 O ATOM 508 NE2 GLN A 34 6.598 -6.668 -4.164 1.00 1.00 N ATOM 0 H GLN A 34 2.207 -5.009 -7.208 1.00 1.00 H new ATOM 0 HA GLN A 34 3.923 -5.722 -5.008 1.00 1.00 H new ATOM 0 HB2 GLN A 34 5.280 -6.304 -7.089 1.00 1.00 H new ATOM 0 HB3 GLN A 34 5.163 -4.619 -7.558 1.00 1.00 H new ATOM 0 HG2 GLN A 34 7.334 -5.504 -6.478 1.00 1.00 H new ATOM 0 HG3 GLN A 34 6.725 -3.922 -6.032 1.00 1.00 H new ATOM 0 HE21 GLN A 34 6.577 -7.381 -4.893 1.00 1.00 H new ATOM 0 HE22 GLN A 34 6.645 -6.943 -3.183 1.00 1.00 H new ATOM 517 N CYS A 35 4.304 -3.147 -4.706 1.00 1.00 N ATOM 518 CA CYS A 35 4.217 -1.759 -4.308 1.00 1.00 C ATOM 519 C CYS A 35 5.245 -0.926 -5.048 1.00 1.00 C ATOM 520 O CYS A 35 6.354 -1.379 -5.342 1.00 1.00 O ATOM 521 CB CYS A 35 4.444 -1.629 -2.805 1.00 1.00 C ATOM 522 SG CYS A 35 3.203 -2.422 -1.765 1.00 1.00 S ATOM 0 H CYS A 35 5.011 -3.666 -4.186 1.00 1.00 H new ATOM 0 HA CYS A 35 3.221 -1.394 -4.557 1.00 1.00 H new ATOM 0 HB2 CYS A 35 5.419 -2.051 -2.564 1.00 1.00 H new ATOM 0 HB3 CYS A 35 4.484 -0.570 -2.551 1.00 1.00 H new ATOM 527 N HIS A 36 4.893 0.335 -5.278 1.00 1.00 N ATOM 528 CA HIS A 36 5.790 1.317 -5.888 1.00 1.00 C ATOM 529 C HIS A 36 5.675 2.674 -5.187 1.00 1.00 C ATOM 530 O HIS A 36 4.608 2.960 -4.637 1.00 1.00 O ATOM 531 CB HIS A 36 5.487 1.432 -7.395 1.00 1.00 C ATOM 532 CG HIS A 36 4.111 1.971 -7.718 1.00 1.00 C ATOM 533 ND1 HIS A 36 3.725 3.302 -7.648 1.00 1.00 N ATOM 534 CD2 HIS A 36 3.017 1.233 -8.086 1.00 1.00 C ATOM 535 CE1 HIS A 36 2.416 3.368 -7.950 1.00 1.00 C ATOM 536 NE2 HIS A 36 1.977 2.126 -8.231 1.00 1.00 N ATOM 0 H HIS A 36 3.973 0.709 -5.046 1.00 1.00 H new ATOM 0 HA HIS A 36 6.820 0.980 -5.768 1.00 1.00 H new ATOM 0 HB2 HIS A 36 6.234 2.079 -7.855 1.00 1.00 H new ATOM 0 HB3 HIS A 36 5.594 0.448 -7.851 1.00 1.00 H new ATOM 0 HD1 HIS A 36 4.327 4.090 -7.410 1.00 1.00 H new ATOM 0 HD2 HIS A 36 2.977 0.164 -8.233 1.00 1.00 H new ATOM 0 HE1 HIS A 36 1.817 4.267 -7.965 1.00 1.00 H new ATOM 545 N PRO A 37 6.718 3.524 -5.219 1.00 1.00 N ATOM 546 CA PRO A 37 6.634 4.884 -4.693 1.00 1.00 C ATOM 547 C PRO A 37 5.621 5.730 -5.473 1.00 1.00 C ATOM 548 O PRO A 37 5.252 5.353 -6.592 1.00 1.00 O ATOM 549 CB PRO A 37 8.029 5.501 -4.850 1.00 1.00 C ATOM 550 CG PRO A 37 8.962 4.325 -5.120 1.00 1.00 C ATOM 551 CD PRO A 37 8.061 3.236 -5.698 1.00 1.00 C ATOM 0 HA PRO A 37 6.306 4.859 -3.654 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.052 6.218 -5.671 1.00 1.00 H new ATOM 0 HB3 PRO A 37 8.325 6.039 -3.949 1.00 1.00 H new ATOM 0 HG2 PRO A 37 9.751 4.599 -5.821 1.00 1.00 H new ATOM 0 HG3 PRO A 37 9.451 3.990 -4.205 1.00 1.00 H new ATOM 0 HD2 PRO A 37 8.095 3.240 -6.787 1.00 1.00 H new ATOM 0 HD3 PRO A 37 8.387 2.248 -5.373 1.00 1.00 H new ATOM 559 N PHE A 38 5.203 6.881 -4.938 1.00 1.00 N ATOM 560 CA PHE A 38 4.353 7.833 -5.640 1.00 1.00 C ATOM 561 C PHE A 38 4.450 9.177 -4.927 1.00 1.00 C ATOM 562 O PHE A 38 4.938 9.254 -3.795 1.00 1.00 O ATOM 563 CB PHE A 38 2.896 7.345 -5.780 1.00 1.00 C ATOM 564 CG PHE A 38 2.021 7.390 -4.541 1.00 1.00 C ATOM 565 CD1 PHE A 38 2.101 6.377 -3.567 1.00 1.00 C ATOM 566 CD2 PHE A 38 1.057 8.408 -4.402 1.00 1.00 C ATOM 567 CE1 PHE A 38 1.215 6.383 -2.474 1.00 1.00 C ATOM 568 CE2 PHE A 38 0.180 8.408 -3.307 1.00 1.00 C ATOM 569 CZ PHE A 38 0.252 7.393 -2.341 1.00 1.00 C ATOM 0 H PHE A 38 5.451 7.177 -3.994 1.00 1.00 H new ATOM 0 HA PHE A 38 4.708 7.938 -6.665 1.00 1.00 H new ATOM 0 HB2 PHE A 38 2.414 7.942 -6.554 1.00 1.00 H new ATOM 0 HB3 PHE A 38 2.919 6.316 -6.139 1.00 1.00 H new ATOM 0 HD1 PHE A 38 2.841 5.596 -3.659 1.00 1.00 H new ATOM 0 HD2 PHE A 38 0.993 9.192 -5.142 1.00 1.00 H new ATOM 0 HE1 PHE A 38 1.277 5.602 -1.731 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -0.554 9.193 -3.207 1.00 1.00 H new ATOM 0 HZ PHE A 38 -0.428 7.390 -1.502 1.00 1.00 H new ATOM 579 N VAL A 39 4.005 10.232 -5.605 1.00 1.00 N ATOM 580 CA VAL A 39 3.935 11.572 -5.058 1.00 1.00 C ATOM 581 C VAL A 39 2.555 11.703 -4.422 1.00 1.00 C ATOM 582 O VAL A 39 1.546 11.655 -5.124 1.00 1.00 O ATOM 583 CB VAL A 39 4.176 12.602 -6.185 1.00 1.00 C ATOM 584 CG1 VAL A 39 3.961 14.032 -5.683 1.00 1.00 C ATOM 585 CG2 VAL A 39 5.608 12.483 -6.733 1.00 1.00 C ATOM 0 H VAL A 39 3.678 10.171 -6.569 1.00 1.00 H new ATOM 0 HA VAL A 39 4.700 11.760 -4.305 1.00 1.00 H new ATOM 0 HB VAL A 39 3.459 12.387 -6.977 1.00 1.00 H new ATOM 0 HG11 VAL A 39 4.138 14.734 -6.498 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.937 14.142 -5.325 1.00 1.00 H new ATOM 0 HG13 VAL A 39 4.655 14.240 -4.868 1.00 1.00 H new ATOM 0 HG21 VAL A 39 5.757 13.217 -7.525 1.00 1.00 H new ATOM 0 HG22 VAL A 39 6.321 12.667 -5.930 1.00 1.00 H new ATOM 0 HG23 VAL A 39 5.762 11.481 -7.133 1.00 1.00 H new ATOM 595 N TYR A 40 2.514 11.841 -3.105 1.00 1.00 N ATOM 596 CA TYR A 40 1.317 12.109 -2.327 1.00 1.00 C ATOM 597 C TYR A 40 1.402 13.584 -1.903 1.00 1.00 C ATOM 598 O TYR A 40 2.482 14.175 -1.928 1.00 1.00 O ATOM 599 CB TYR A 40 1.279 11.088 -1.183 1.00 1.00 C ATOM 600 CG TYR A 40 0.365 11.405 -0.030 1.00 1.00 C ATOM 601 CD1 TYR A 40 -1.018 11.547 -0.228 1.00 1.00 C ATOM 602 CD2 TYR A 40 0.919 11.570 1.248 1.00 1.00 C ATOM 603 CE1 TYR A 40 -1.836 11.901 0.855 1.00 1.00 C ATOM 604 CE2 TYR A 40 0.099 11.869 2.341 1.00 1.00 C ATOM 605 CZ TYR A 40 -1.287 12.050 2.146 1.00 1.00 C ATOM 606 OH TYR A 40 -2.078 12.397 3.188 1.00 1.00 O ATOM 0 H TYR A 40 3.351 11.766 -2.526 1.00 1.00 H new ATOM 0 HA TYR A 40 0.375 11.988 -2.863 1.00 1.00 H new ATOM 0 HB2 TYR A 40 0.985 10.123 -1.596 1.00 1.00 H new ATOM 0 HB3 TYR A 40 2.291 10.973 -0.795 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -1.448 11.385 -1.205 1.00 1.00 H new ATOM 0 HD2 TYR A 40 1.985 11.466 1.389 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -2.893 12.061 0.700 1.00 1.00 H new ATOM 0 HE2 TYR A 40 0.524 11.961 3.329 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.709 13.091 2.903 1.00 1.00 H new ATOM 616 N GLY A 41 0.282 14.207 -1.540 1.00 1.00 N ATOM 617 CA GLY A 41 0.212 15.634 -1.245 1.00 1.00 C ATOM 618 C GLY A 41 0.248 15.983 0.240 1.00 1.00 C ATOM 619 O GLY A 41 0.131 17.158 0.582 1.00 1.00 O ATOM 0 H GLY A 41 -0.613 13.727 -1.442 1.00 1.00 H new ATOM 0 HA2 GLY A 41 1.043 16.135 -1.742 1.00 1.00 H new ATOM 0 HA3 GLY A 41 -0.705 16.035 -1.676 1.00 1.00 H new ATOM 623 N GLY A 42 0.357 14.992 1.129 1.00 1.00 N ATOM 624 CA GLY A 42 0.409 15.154 2.583 1.00 1.00 C ATOM 625 C GLY A 42 -0.948 15.454 3.224 1.00 1.00 C ATOM 626 O GLY A 42 -1.175 15.076 4.370 1.00 1.00 O ATOM 0 H GLY A 42 0.414 14.015 0.843 1.00 1.00 H new ATOM 0 HA2 GLY A 42 0.815 14.244 3.025 1.00 1.00 H new ATOM 0 HA3 GLY A 42 1.100 15.962 2.824 1.00 1.00 H new ATOM 630 N CYS A 43 -1.827 16.128 2.493 1.00 1.00 N ATOM 631 CA CYS A 43 -3.214 16.418 2.815 1.00 1.00 C ATOM 632 C CYS A 43 -4.078 15.316 2.180 1.00 1.00 C ATOM 633 O CYS A 43 -3.538 14.273 1.803 1.00 1.00 O ATOM 634 CB CYS A 43 -3.555 17.847 2.405 1.00 1.00 C ATOM 635 SG CYS A 43 -3.737 18.144 0.640 1.00 1.00 S ATOM 0 H CYS A 43 -1.564 16.516 1.587 1.00 1.00 H new ATOM 0 HA CYS A 43 -3.414 16.394 3.886 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -4.484 18.133 2.898 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -2.776 18.508 2.785 1.00 1.00 H new ATOM 640 N GLU A 44 -5.403 15.452 2.219 1.00 1.00 N ATOM 641 CA GLU A 44 -6.409 14.481 1.774 1.00 1.00 C ATOM 642 C GLU A 44 -5.952 13.654 0.558 1.00 1.00 C ATOM 643 O GLU A 44 -5.466 14.192 -0.438 1.00 1.00 O ATOM 644 CB GLU A 44 -7.721 15.186 1.404 1.00 1.00 C ATOM 645 CG GLU A 44 -8.289 16.061 2.526 1.00 1.00 C ATOM 646 CD GLU A 44 -7.655 17.455 2.527 1.00 1.00 C ATOM 647 OE1 GLU A 44 -8.007 18.271 1.649 1.00 1.00 O ATOM 648 OE2 GLU A 44 -6.738 17.654 3.356 1.00 1.00 O ATOM 0 H GLU A 44 -5.834 16.300 2.587 1.00 1.00 H new ATOM 0 HA GLU A 44 -6.557 13.805 2.616 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -7.554 15.805 0.522 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -8.462 14.435 1.131 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -9.369 16.151 2.407 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -8.114 15.580 3.488 1.00 1.00 H new ATOM 655 N GLY A 45 -6.155 12.341 0.618 1.00 1.00 N ATOM 656 CA GLY A 45 -5.789 11.365 -0.397 1.00 1.00 C ATOM 657 C GLY A 45 -6.372 10.018 0.026 1.00 1.00 C ATOM 658 O GLY A 45 -7.153 9.968 0.982 1.00 1.00 O ATOM 0 H GLY A 45 -6.606 11.907 1.424 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -6.178 11.662 -1.371 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -4.705 11.300 -0.493 1.00 1.00 H new ATOM 662 N ASN A 46 -5.994 8.922 -0.640 1.00 1.00 N ATOM 663 CA ASN A 46 -6.625 7.631 -0.354 1.00 1.00 C ATOM 664 C ASN A 46 -5.804 6.878 0.687 1.00 1.00 C ATOM 665 O ASN A 46 -4.689 7.261 1.044 1.00 1.00 O ATOM 666 CB ASN A 46 -6.788 6.718 -1.587 1.00 1.00 C ATOM 667 CG ASN A 46 -7.464 7.343 -2.803 1.00 1.00 C ATOM 668 OD1 ASN A 46 -7.914 8.479 -2.780 1.00 1.00 O ATOM 669 ND2 ASN A 46 -7.559 6.614 -3.898 1.00 1.00 N ATOM 0 H ASN A 46 -5.274 8.901 -1.362 1.00 1.00 H new ATOM 0 HA ASN A 46 -7.626 7.868 0.007 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -5.800 6.367 -1.887 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -7.361 5.840 -1.290 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -8.009 6.998 -4.729 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -7.182 5.666 -3.914 1.00 1.00 H new ATOM 676 N GLY A 47 -6.350 5.741 1.109 1.00 1.00 N ATOM 677 CA GLY A 47 -5.817 4.916 2.187 1.00 1.00 C ATOM 678 C GLY A 47 -4.670 4.012 1.748 1.00 1.00 C ATOM 679 O GLY A 47 -4.003 3.429 2.597 1.00 1.00 O ATOM 0 H GLY A 47 -7.201 5.358 0.697 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -5.471 5.563 2.993 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -6.619 4.301 2.594 1.00 1.00 H new ATOM 683 N ASN A 48 -4.433 3.875 0.440 1.00 1.00 N ATOM 684 CA ASN A 48 -3.291 3.143 -0.098 1.00 1.00 C ATOM 685 C ASN A 48 -2.092 4.080 0.030 1.00 1.00 C ATOM 686 O ASN A 48 -1.675 4.718 -0.938 1.00 1.00 O ATOM 687 CB ASN A 48 -3.579 2.720 -1.544 1.00 1.00 C ATOM 688 CG ASN A 48 -2.569 1.690 -2.061 1.00 1.00 C ATOM 689 OD1 ASN A 48 -1.551 1.398 -1.442 1.00 1.00 O ATOM 690 ND2 ASN A 48 -2.835 1.081 -3.198 1.00 1.00 N ATOM 0 H ASN A 48 -5.036 4.274 -0.279 1.00 1.00 H new ATOM 0 HA ASN A 48 -3.087 2.218 0.442 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -4.584 2.302 -1.605 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -3.560 3.599 -2.188 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -2.196 0.372 -3.558 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -3.680 1.318 -3.718 1.00 1.00 H new ATOM 697 N ASN A 49 -1.606 4.244 1.262 1.00 1.00 N ATOM 698 CA ASN A 49 -0.565 5.193 1.609 1.00 1.00 C ATOM 699 C ASN A 49 0.375 4.528 2.607 1.00 1.00 C ATOM 700 O ASN A 49 0.016 4.299 3.761 1.00 1.00 O ATOM 701 CB ASN A 49 -1.296 6.403 2.227 1.00 1.00 C ATOM 702 CG ASN A 49 -0.450 7.652 2.407 1.00 1.00 C ATOM 703 OD1 ASN A 49 0.459 7.718 3.230 1.00 1.00 O ATOM 704 ND2 ASN A 49 -0.761 8.692 1.648 1.00 1.00 N ATOM 0 H ASN A 49 -1.939 3.704 2.060 1.00 1.00 H new ATOM 0 HA ASN A 49 0.035 5.513 0.757 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -2.150 6.651 1.597 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -1.692 6.109 3.199 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -0.242 9.565 1.742 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -1.519 8.620 0.969 1.00 1.00 H new ATOM 711 N PHE A 50 1.613 4.286 2.186 1.00 1.00 N ATOM 712 CA PHE A 50 2.621 3.558 2.947 1.00 1.00 C ATOM 713 C PHE A 50 3.874 4.404 2.998 1.00 1.00 C ATOM 714 O PHE A 50 4.161 5.179 2.083 1.00 1.00 O ATOM 715 CB PHE A 50 2.856 2.179 2.309 1.00 1.00 C ATOM 716 CG PHE A 50 1.617 1.316 2.458 1.00 1.00 C ATOM 717 CD1 PHE A 50 1.275 0.809 3.726 1.00 1.00 C ATOM 718 CD2 PHE A 50 0.725 1.142 1.380 1.00 1.00 C ATOM 719 CE1 PHE A 50 0.047 0.156 3.920 1.00 1.00 C ATOM 720 CE2 PHE A 50 -0.488 0.459 1.570 1.00 1.00 C ATOM 721 CZ PHE A 50 -0.837 -0.021 2.841 1.00 1.00 C ATOM 0 H PHE A 50 1.952 4.601 1.277 1.00 1.00 H new ATOM 0 HA PHE A 50 2.293 3.375 3.970 1.00 1.00 H new ATOM 0 HB2 PHE A 50 3.102 2.295 1.254 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.707 1.691 2.783 1.00 1.00 H new ATOM 0 HD1 PHE A 50 1.960 0.923 4.553 1.00 1.00 H new ATOM 0 HD2 PHE A 50 0.975 1.535 0.406 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -0.219 -0.211 4.900 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.154 0.303 0.734 1.00 1.00 H new ATOM 0 HZ PHE A 50 -1.781 -0.524 2.990 1.00 1.00 H new ATOM 731 N HIS A 51 4.654 4.250 4.062 1.00 1.00 N ATOM 732 CA HIS A 51 5.822 5.100 4.282 1.00 1.00 C ATOM 733 C HIS A 51 7.076 4.451 3.710 1.00 1.00 C ATOM 734 O HIS A 51 8.126 5.083 3.662 1.00 1.00 O ATOM 735 CB HIS A 51 5.993 5.341 5.783 1.00 1.00 C ATOM 736 CG HIS A 51 4.952 6.284 6.343 1.00 1.00 C ATOM 737 ND1 HIS A 51 5.097 7.653 6.495 1.00 1.00 N ATOM 738 CD2 HIS A 51 3.692 5.937 6.751 1.00 1.00 C ATOM 739 CE1 HIS A 51 3.941 8.125 7.007 1.00 1.00 C ATOM 740 NE2 HIS A 51 3.070 7.103 7.160 1.00 1.00 N ATOM 0 H HIS A 51 4.501 3.547 4.785 1.00 1.00 H new ATOM 0 HA HIS A 51 5.670 6.052 3.773 1.00 1.00 H new ATOM 0 HB2 HIS A 51 5.935 4.388 6.309 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.986 5.749 5.971 1.00 1.00 H new ATOM 0 HD2 HIS A 51 3.266 4.945 6.753 1.00 1.00 H new ATOM 0 HE1 HIS A 51 3.743 9.157 7.255 1.00 1.00 H new ATOM 0 HE2 HIS A 51 2.117 7.178 7.516 1.00 1.00 H new ATOM 749 N SER A 52 6.959 3.219 3.242 1.00 1.00 N ATOM 750 CA SER A 52 8.053 2.399 2.779 1.00 1.00 C ATOM 751 C SER A 52 7.466 1.246 2.007 1.00 1.00 C ATOM 752 O SER A 52 6.250 1.025 2.019 1.00 1.00 O ATOM 753 CB SER A 52 8.824 1.847 3.987 1.00 1.00 C ATOM 754 OG SER A 52 7.934 1.487 5.038 1.00 1.00 O ATOM 0 H SER A 52 6.057 2.748 3.174 1.00 1.00 H new ATOM 0 HA SER A 52 8.730 2.983 2.155 1.00 1.00 H new ATOM 0 HB2 SER A 52 9.406 0.977 3.685 1.00 1.00 H new ATOM 0 HB3 SER A 52 9.531 2.595 4.345 1.00 1.00 H new ATOM 0 HG SER A 52 8.439 1.376 5.871 1.00 1.00 H new ATOM 760 N ARG A 53 8.334 0.492 1.335 1.00 1.00 N ATOM 761 CA ARG A 53 7.851 -0.702 0.701 1.00 1.00 C ATOM 762 C ARG A 53 7.502 -1.716 1.781 1.00 1.00 C ATOM 763 O ARG A 53 6.492 -2.378 1.659 1.00 1.00 O ATOM 764 CB ARG A 53 8.855 -1.274 -0.257 1.00 1.00 C ATOM 765 CG ARG A 53 7.975 -2.132 -1.169 1.00 1.00 C ATOM 766 CD ARG A 53 8.730 -2.380 -2.430 1.00 1.00 C ATOM 767 NE ARG A 53 9.418 -3.672 -2.323 1.00 1.00 N ATOM 768 CZ ARG A 53 9.669 -4.545 -3.296 1.00 1.00 C ATOM 769 NH1 ARG A 53 9.846 -4.129 -4.551 1.00 1.00 N ATOM 770 NH2 ARG A 53 9.736 -5.834 -2.988 1.00 1.00 N ATOM 0 H ARG A 53 9.329 0.685 1.225 1.00 1.00 H new ATOM 0 HA ARG A 53 6.965 -0.456 0.115 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.379 -0.495 -0.811 1.00 1.00 H new ATOM 0 HB3 ARG A 53 9.613 -1.867 0.254 1.00 1.00 H new ATOM 0 HG2 ARG A 53 7.725 -3.075 -0.682 1.00 1.00 H new ATOM 0 HG3 ARG A 53 7.034 -1.623 -1.381 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.050 -2.384 -3.282 1.00 1.00 H new ATOM 0 HD3 ARG A 53 9.452 -1.581 -2.601 1.00 1.00 H new ATOM 0 HE ARG A 53 9.743 -3.932 -1.392 1.00 1.00 H new ATOM 0 HH11 ARG A 53 9.789 -3.135 -4.771 1.00 1.00 H new ATOM 0 HH12 ARG A 53 10.038 -4.805 -5.290 1.00 1.00 H new ATOM 0 HH21 ARG A 53 9.596 -6.136 -2.024 1.00 1.00 H new ATOM 0 HH22 ARG A 53 9.927 -6.523 -3.716 1.00 1.00 H new ATOM 784 N GLU A 54 8.332 -1.787 2.818 1.00 1.00 N ATOM 785 CA GLU A 54 8.173 -2.564 4.037 1.00 1.00 C ATOM 786 C GLU A 54 6.732 -2.538 4.515 1.00 1.00 C ATOM 787 O GLU A 54 6.052 -3.553 4.435 1.00 1.00 O ATOM 788 CB GLU A 54 9.190 -1.960 5.022 1.00 1.00 C ATOM 789 CG GLU A 54 9.010 -2.145 6.538 1.00 1.00 C ATOM 790 CD GLU A 54 8.450 -0.848 7.146 1.00 1.00 C ATOM 791 OE1 GLU A 54 9.076 0.218 6.923 1.00 1.00 O ATOM 792 OE2 GLU A 54 7.321 -0.868 7.668 1.00 1.00 O ATOM 0 H GLU A 54 9.204 -1.258 2.825 1.00 1.00 H new ATOM 0 HA GLU A 54 8.375 -3.627 3.906 1.00 1.00 H new ATOM 0 HB2 GLU A 54 10.169 -2.363 4.762 1.00 1.00 H new ATOM 0 HB3 GLU A 54 9.226 -0.888 4.830 1.00 1.00 H new ATOM 0 HG2 GLU A 54 8.332 -2.975 6.737 1.00 1.00 H new ATOM 0 HG3 GLU A 54 9.965 -2.395 7.001 1.00 1.00 H new ATOM 799 N SER A 55 6.260 -1.366 4.917 1.00 1.00 N ATOM 800 CA SER A 55 4.902 -1.210 5.436 1.00 1.00 C ATOM 801 C SER A 55 3.825 -1.671 4.442 1.00 1.00 C ATOM 802 O SER A 55 2.770 -2.160 4.838 1.00 1.00 O ATOM 803 CB SER A 55 4.675 0.220 5.970 1.00 1.00 C ATOM 804 OG SER A 55 5.166 1.262 5.125 1.00 1.00 O ATOM 0 H SER A 55 6.800 -0.501 4.894 1.00 1.00 H new ATOM 0 HA SER A 55 4.797 -1.884 6.286 1.00 1.00 H new ATOM 0 HB2 SER A 55 3.606 0.370 6.123 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.153 0.308 6.946 1.00 1.00 H new ATOM 0 HG SER A 55 6.142 1.314 5.203 1.00 1.00 H new ATOM 810 N CYS A 56 4.074 -1.489 3.147 1.00 1.00 N ATOM 811 CA CYS A 56 3.161 -1.830 2.070 1.00 1.00 C ATOM 812 C CYS A 56 3.099 -3.332 1.808 1.00 1.00 C ATOM 813 O CYS A 56 2.015 -3.890 1.665 1.00 1.00 O ATOM 814 CB CYS A 56 3.681 -1.092 0.833 1.00 1.00 C ATOM 815 SG CYS A 56 2.553 -0.931 -0.558 1.00 1.00 S ATOM 0 H CYS A 56 4.949 -1.086 2.812 1.00 1.00 H new ATOM 0 HA CYS A 56 2.144 -1.537 2.331 1.00 1.00 H new ATOM 0 HB2 CYS A 56 3.986 -0.091 1.139 1.00 1.00 H new ATOM 0 HB3 CYS A 56 4.577 -1.605 0.484 1.00 1.00 H new ATOM 820 N GLU A 57 4.258 -3.979 1.730 1.00 1.00 N ATOM 821 CA GLU A 57 4.370 -5.429 1.601 1.00 1.00 C ATOM 822 C GLU A 57 3.850 -6.092 2.879 1.00 1.00 C ATOM 823 O GLU A 57 3.285 -7.182 2.802 1.00 1.00 O ATOM 824 CB GLU A 57 5.806 -5.857 1.234 1.00 1.00 C ATOM 825 CG GLU A 57 6.089 -5.576 -0.254 1.00 1.00 C ATOM 826 CD GLU A 57 7.473 -6.045 -0.732 1.00 1.00 C ATOM 827 OE1 GLU A 57 8.503 -5.409 -0.409 1.00 1.00 O ATOM 828 OE2 GLU A 57 7.551 -6.977 -1.566 1.00 1.00 O ATOM 0 H GLU A 57 5.160 -3.504 1.755 1.00 1.00 H new ATOM 0 HA GLU A 57 3.749 -5.770 0.773 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.522 -5.318 1.855 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.940 -6.919 1.442 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.324 -6.066 -0.857 1.00 1.00 H new ATOM 0 HG3 GLU A 57 5.999 -4.505 -0.433 1.00 1.00 H new ATOM 835 N ASP A 58 4.033 -5.465 4.049 1.00 1.00 N ATOM 836 CA ASP A 58 3.447 -5.962 5.286 1.00 1.00 C ATOM 837 C ASP A 58 1.924 -5.820 5.215 1.00 1.00 C ATOM 838 O ASP A 58 1.222 -6.726 5.666 1.00 1.00 O ATOM 839 CB ASP A 58 4.013 -5.240 6.517 1.00 1.00 C ATOM 840 CG ASP A 58 3.309 -5.722 7.791 1.00 1.00 C ATOM 841 OD1 ASP A 58 3.638 -6.821 8.295 1.00 1.00 O ATOM 842 OD2 ASP A 58 2.361 -5.034 8.239 1.00 1.00 O ATOM 0 H ASP A 58 4.583 -4.613 4.157 1.00 1.00 H new ATOM 0 HA ASP A 58 3.707 -7.015 5.395 1.00 1.00 H new ATOM 0 HB2 ASP A 58 5.084 -5.425 6.594 1.00 1.00 H new ATOM 0 HB3 ASP A 58 3.882 -4.163 6.407 1.00 1.00 H new ATOM 847 N ALA A 59 1.385 -4.736 4.635 1.00 1.00 N ATOM 848 CA ALA A 59 -0.056 -4.607 4.467 1.00 1.00 C ATOM 849 C ALA A 59 -0.592 -5.685 3.524 1.00 1.00 C ATOM 850 O ALA A 59 -1.427 -6.488 3.940 1.00 1.00 O ATOM 851 CB ALA A 59 -0.425 -3.203 3.988 1.00 1.00 C ATOM 0 H ALA A 59 1.926 -3.948 4.280 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.530 -4.756 5.437 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -1.506 -3.131 3.870 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -0.091 -2.469 4.721 1.00 1.00 H new ATOM 0 HB3 ALA A 59 0.058 -3.006 3.031 1.00 1.00 H new ATOM 857 N CYS A 60 -0.127 -5.710 2.274 1.00 1.00 N ATOM 858 CA CYS A 60 -0.588 -6.636 1.253 1.00 1.00 C ATOM 859 C CYS A 60 0.590 -7.370 0.620 1.00 1.00 C ATOM 860 O CYS A 60 1.185 -6.868 -0.338 1.00 1.00 O ATOM 861 CB CYS A 60 -1.444 -5.926 0.204 1.00 1.00 C ATOM 862 SG CYS A 60 -3.147 -5.657 0.753 1.00 1.00 S ATOM 0 H CYS A 60 0.596 -5.071 1.942 1.00 1.00 H new ATOM 0 HA CYS A 60 -1.224 -7.381 1.732 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -0.990 -4.966 -0.039 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -1.452 -6.516 -0.712 1.00 1.00 H new ATOM 867 N PRO A 61 0.943 -8.551 1.152 1.00 1.00 N ATOM 868 CA PRO A 61 1.952 -9.402 0.553 1.00 1.00 C ATOM 869 C PRO A 61 1.335 -10.110 -0.669 1.00 1.00 C ATOM 870 O PRO A 61 0.197 -9.851 -1.071 1.00 1.00 O ATOM 871 CB PRO A 61 2.360 -10.361 1.682 1.00 1.00 C ATOM 872 CG PRO A 61 1.077 -10.521 2.494 1.00 1.00 C ATOM 873 CD PRO A 61 0.413 -9.152 2.372 1.00 1.00 C ATOM 0 HA PRO A 61 2.830 -8.877 0.178 1.00 1.00 H new ATOM 0 HB2 PRO A 61 2.709 -11.316 1.291 1.00 1.00 H new ATOM 0 HB3 PRO A 61 3.169 -9.949 2.286 1.00 1.00 H new ATOM 0 HG2 PRO A 61 0.444 -11.313 2.094 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.287 -10.775 3.533 1.00 1.00 H new ATOM 0 HD2 PRO A 61 -0.671 -9.248 2.319 1.00 1.00 H new ATOM 0 HD3 PRO A 61 0.636 -8.532 3.240 1.00 1.00 H new ATOM 881 N VAL A 62 2.064 -11.072 -1.227 1.00 1.00 N ATOM 882 CA VAL A 62 1.574 -11.923 -2.309 1.00 1.00 C ATOM 883 C VAL A 62 0.989 -13.173 -1.625 1.00 1.00 C ATOM 884 O VAL A 62 1.040 -13.283 -0.394 1.00 1.00 O ATOM 885 CB VAL A 62 2.731 -12.257 -3.284 1.00 1.00 C ATOM 886 CG1 VAL A 62 2.233 -12.801 -4.634 1.00 1.00 C ATOM 887 CG2 VAL A 62 3.629 -11.039 -3.588 1.00 1.00 C ATOM 0 H VAL A 62 3.019 -11.285 -0.939 1.00 1.00 H new ATOM 0 HA VAL A 62 0.808 -11.438 -2.915 1.00 1.00 H new ATOM 0 HB VAL A 62 3.305 -13.022 -2.761 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.087 -13.017 -5.276 1.00 1.00 H new ATOM 0 HG12 VAL A 62 1.662 -13.715 -4.470 1.00 1.00 H new ATOM 0 HG13 VAL A 62 1.597 -12.057 -5.114 1.00 1.00 H new ATOM 0 HG21 VAL A 62 4.421 -11.334 -4.276 1.00 1.00 H new ATOM 0 HG22 VAL A 62 3.030 -10.249 -4.042 1.00 1.00 H new ATOM 0 HG23 VAL A 62 4.071 -10.672 -2.661 1.00 1.00 H new ATOM 897 N VAL A 63 0.411 -14.106 -2.394 1.00 1.00 N ATOM 898 CA VAL A 63 -0.276 -15.276 -1.848 1.00 1.00 C ATOM 899 C VAL A 63 0.690 -15.959 -0.883 1.00 1.00 C ATOM 900 O VAL A 63 1.852 -16.250 -1.208 1.00 1.00 O ATOM 901 CB VAL A 63 -0.788 -16.256 -2.913 1.00 1.00 C ATOM 902 CG1 VAL A 63 -1.908 -17.137 -2.341 1.00 1.00 C ATOM 903 CG2 VAL A 63 -1.284 -15.577 -4.201 1.00 1.00 C ATOM 0 H VAL A 63 0.409 -14.067 -3.413 1.00 1.00 H new ATOM 0 HA VAL A 63 -1.179 -14.941 -1.337 1.00 1.00 H new ATOM 0 HB VAL A 63 0.074 -16.863 -3.188 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -2.258 -17.825 -3.110 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -1.527 -17.705 -1.492 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -2.735 -16.507 -2.014 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -1.629 -16.336 -4.903 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -2.106 -14.902 -3.963 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -0.469 -15.011 -4.651 1.00 1.00 H new ATOM 913 N ASP A 64 0.182 -16.204 0.313 1.00 1.00 N ATOM 914 CA ASP A 64 0.990 -16.710 1.404 1.00 1.00 C ATOM 915 C ASP A 64 1.598 -18.075 1.115 1.00 1.00 C ATOM 916 O ASP A 64 1.056 -18.892 0.373 1.00 1.00 O ATOM 917 CB ASP A 64 0.248 -16.722 2.745 1.00 1.00 C ATOM 918 CG ASP A 64 1.249 -17.084 3.845 1.00 1.00 C ATOM 919 OD1 ASP A 64 2.399 -16.586 3.795 1.00 1.00 O ATOM 920 OD2 ASP A 64 0.966 -17.943 4.707 1.00 1.00 O ATOM 0 H ASP A 64 -0.799 -16.058 0.552 1.00 1.00 H new ATOM 0 HA ASP A 64 1.812 -15.999 1.491 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.196 -15.746 2.942 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.568 -17.445 2.721 1.00 1.00 H new ATOM 925 N HIS A 65 2.775 -18.294 1.691 1.00 1.00 N ATOM 926 CA HIS A 65 3.539 -19.492 1.720 1.00 1.00 C ATOM 927 C HIS A 65 3.972 -19.831 3.163 1.00 1.00 C ATOM 928 O HIS A 65 4.482 -20.931 3.359 1.00 1.00 O ATOM 929 CB HIS A 65 4.698 -19.296 0.743 1.00 1.00 C ATOM 930 CG HIS A 65 4.291 -19.400 -0.718 1.00 1.00 C ATOM 931 ND1 HIS A 65 3.475 -18.516 -1.412 1.00 1.00 N ATOM 932 CD2 HIS A 65 4.605 -20.429 -1.566 1.00 1.00 C ATOM 933 CE1 HIS A 65 3.293 -19.009 -2.649 1.00 1.00 C ATOM 934 NE2 HIS A 65 3.978 -20.165 -2.773 1.00 1.00 N ATOM 0 H HIS A 65 3.248 -17.545 2.196 1.00 1.00 H new ATOM 0 HA HIS A 65 2.961 -20.360 1.403 1.00 1.00 H new ATOM 0 HB2 HIS A 65 5.147 -18.318 0.917 1.00 1.00 H new ATOM 0 HB3 HIS A 65 5.466 -20.041 0.951 1.00 1.00 H new ATOM 0 HD1 HIS A 65 3.084 -17.647 -1.048 1.00 1.00 H new ATOM 0 HD2 HIS A 65 5.224 -21.284 -1.337 1.00 1.00 H new ATOM 0 HE1 HIS A 65 2.693 -18.552 -3.422 1.00 1.00 H new ATOM 943 N HIS A 66 3.879 -18.901 4.135 1.00 1.00 N ATOM 944 CA HIS A 66 4.103 -19.035 5.583 1.00 1.00 C ATOM 945 C HIS A 66 4.042 -17.657 6.283 1.00 1.00 C ATOM 946 O HIS A 66 5.108 -17.108 6.591 1.00 1.00 O ATOM 947 CB HIS A 66 5.372 -19.843 5.945 1.00 1.00 C ATOM 948 CG HIS A 66 6.631 -19.451 5.202 1.00 1.00 C ATOM 949 ND1 HIS A 66 7.212 -18.199 5.210 1.00 1.00 N ATOM 950 CD2 HIS A 66 7.390 -20.271 4.415 1.00 1.00 C ATOM 951 CE1 HIS A 66 8.318 -18.255 4.442 1.00 1.00 C ATOM 952 NE2 HIS A 66 8.449 -19.507 3.950 1.00 1.00 N ATOM 0 H HIS A 66 3.619 -17.943 3.899 1.00 1.00 H new ATOM 0 HA HIS A 66 3.281 -19.636 5.972 1.00 1.00 H new ATOM 0 HB2 HIS A 66 5.555 -19.738 7.014 1.00 1.00 H new ATOM 0 HB3 HIS A 66 5.175 -20.898 5.758 1.00 1.00 H new ATOM 0 HD1 HIS A 66 6.866 -17.379 5.708 1.00 1.00 H new ATOM 0 HD2 HIS A 66 7.201 -21.312 4.198 1.00 1.00 H new ATOM 0 HE1 HIS A 66 8.991 -17.432 4.251 1.00 1.00 H new ATOM 961 N HIS A 67 2.866 -17.089 6.574 1.00 1.00 N ATOM 962 CA HIS A 67 2.719 -15.799 7.276 1.00 1.00 C ATOM 963 C HIS A 67 2.031 -15.969 8.628 1.00 1.00 C ATOM 964 O HIS A 67 1.477 -17.021 8.928 1.00 1.00 O ATOM 965 CB HIS A 67 2.035 -14.726 6.393 1.00 1.00 C ATOM 966 CG HIS A 67 0.540 -14.838 6.139 1.00 1.00 C ATOM 967 ND1 HIS A 67 -0.237 -13.847 5.559 1.00 1.00 N ATOM 968 CD2 HIS A 67 -0.274 -15.921 6.356 1.00 1.00 C ATOM 969 CE1 HIS A 67 -1.482 -14.328 5.411 1.00 1.00 C ATOM 970 NE2 HIS A 67 -1.531 -15.589 5.884 1.00 1.00 N ATOM 0 H HIS A 67 1.973 -17.516 6.327 1.00 1.00 H new ATOM 0 HA HIS A 67 3.724 -15.428 7.479 1.00 1.00 H new ATOM 0 HB2 HIS A 67 2.221 -13.754 6.849 1.00 1.00 H new ATOM 0 HB3 HIS A 67 2.536 -14.725 5.425 1.00 1.00 H new ATOM 0 HD1 HIS A 67 0.081 -12.916 5.292 1.00 1.00 H new ATOM 0 HD2 HIS A 67 0.013 -16.858 6.810 1.00 1.00 H new ATOM 0 HE1 HIS A 67 -2.313 -13.789 4.981 1.00 1.00 H new ATOM 979 N HIS A 68 2.057 -14.919 9.455 1.00 1.00 N ATOM 980 CA HIS A 68 1.355 -14.835 10.740 1.00 1.00 C ATOM 981 C HIS A 68 0.834 -13.402 10.915 1.00 1.00 C ATOM 982 O HIS A 68 1.089 -12.748 11.927 1.00 1.00 O ATOM 983 CB HIS A 68 2.262 -15.331 11.890 1.00 1.00 C ATOM 984 CG HIS A 68 3.564 -14.579 12.097 1.00 1.00 C ATOM 985 ND1 HIS A 68 3.677 -13.292 12.592 1.00 1.00 N ATOM 986 CD2 HIS A 68 4.828 -15.075 11.920 1.00 1.00 C ATOM 987 CE1 HIS A 68 4.988 -13.001 12.702 1.00 1.00 C ATOM 988 NE2 HIS A 68 5.707 -14.072 12.298 1.00 1.00 N ATOM 0 H HIS A 68 2.586 -14.074 9.240 1.00 1.00 H new ATOM 0 HA HIS A 68 0.490 -15.498 10.762 1.00 1.00 H new ATOM 0 HB2 HIS A 68 1.691 -15.287 12.818 1.00 1.00 H new ATOM 0 HB3 HIS A 68 2.498 -16.380 11.710 1.00 1.00 H new ATOM 0 HD1 HIS A 68 2.903 -12.672 12.832 1.00 1.00 H new ATOM 0 HD2 HIS A 68 5.090 -16.058 11.556 1.00 1.00 H new ATOM 0 HE1 HIS A 68 5.397 -12.066 13.055 1.00 1.00 H new ATOM 997 N HIS A 69 0.235 -12.862 9.858 1.00 1.00 N ATOM 998 CA HIS A 69 -0.240 -11.491 9.689 1.00 1.00 C ATOM 999 C HIS A 69 -1.167 -11.548 8.459 1.00 1.00 C ATOM 1000 O HIS A 69 -1.555 -12.654 8.068 1.00 1.00 O ATOM 1001 CB HIS A 69 1.006 -10.601 9.457 1.00 1.00 C ATOM 1002 CG HIS A 69 0.757 -9.128 9.248 1.00 1.00 C ATOM 1003 ND1 HIS A 69 0.752 -8.135 10.220 1.00 1.00 N ATOM 1004 CD2 HIS A 69 0.703 -8.523 8.024 1.00 1.00 C ATOM 1005 CE1 HIS A 69 0.683 -6.953 9.580 1.00 1.00 C ATOM 1006 NE2 HIS A 69 0.607 -7.175 8.259 1.00 1.00 N ATOM 0 H HIS A 69 0.053 -13.421 9.024 1.00 1.00 H new ATOM 0 HA HIS A 69 -0.781 -11.080 10.541 1.00 1.00 H new ATOM 0 HB2 HIS A 69 1.670 -10.716 10.314 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.540 -10.983 8.587 1.00 1.00 H new ATOM 0 HD2 HIS A 69 0.731 -9.010 7.061 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.688 -5.982 10.053 1.00 1.00 H new ATOM 0 HE2 HIS A 69 0.496 -6.456 7.544 1.00 1.00 H new ATOM 1015 N HIS A 70 -1.568 -10.395 7.921 1.00 1.00 N ATOM 1016 CA HIS A 70 -2.318 -10.287 6.677 1.00 1.00 C ATOM 1017 C HIS A 70 -1.472 -10.980 5.603 1.00 1.00 C ATOM 1018 O HIS A 70 -0.246 -11.154 5.805 1.00 1.00 O ATOM 1019 CB HIS A 70 -2.546 -8.797 6.349 1.00 1.00 C ATOM 1020 CG HIS A 70 -3.403 -8.492 5.141 1.00 1.00 C ATOM 1021 ND1 HIS A 70 -3.411 -9.180 3.939 1.00 1.00 N ATOM 1022 CD2 HIS A 70 -4.129 -7.345 4.969 1.00 1.00 C ATOM 1023 CE1 HIS A 70 -4.116 -8.448 3.052 1.00 1.00 C ATOM 1024 NE2 HIS A 70 -4.568 -7.335 3.665 1.00 1.00 N ATOM 1025 OXT HIS A 70 -2.069 -11.441 4.611 1.00 1.00 O ATOM 0 H HIS A 70 -1.374 -9.491 8.352 1.00 1.00 H new ATOM 0 HA HIS A 70 -3.300 -10.757 6.740 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -3.002 -8.323 7.218 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -1.573 -8.328 6.203 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -4.321 -6.589 5.716 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -4.290 -8.711 2.019 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -5.139 -6.608 3.234 1.00 1.00 H new TER 1034 HIS A 70