USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 698 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 57 GLN : amide:sc= 1.1 K(o=1.7,f=-0.29) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.636 K(o=1.7,f=-0.29) USER MOD Set 2.1: A 19 ASN : amide:sc= 1.99 K(o=2.8,f=-3.1!) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.763 K(o=2.8,f=0.38) USER MOD Set 3.1: A 28 SER OG : rot -95:sc= 1.37 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.8) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.22) USER MOD Single : A 25 GLN : amide:sc= 0.791 K(o=0.79,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 38 THR OG1 : rot -170:sc= -1.75! USER MOD Single : A 41 SER OG : rot -94:sc= 1.32 USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.08) USER MOD Single : A 44 MET CE :methyl 174:sc= -0.886 (180deg=-0.978) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 5:sc= 0.875 USER MOD Single : A 51 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.5) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00722 USER MOD Single : A 55 MET CE :methyl 165:sc= -0.0138 (180deg=-0.289) USER MOD Single : A 65 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.39) USER MOD Single : A 68 ASN : amide:sc= 1.15 K(o=1.1,f=-0.0093) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 75 GLN : amide:sc=-0.00298 K(o=-0.003,f=-0.63) USER MOD Single : A 78 MET CE :methyl -146:sc= -0.58 (180deg=-2.65!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.287 K(o=-0.29,f=-0.86) USER MOD Single : A 90 GLN : amide:sc= -1.49! C(o=-1.5!,f=-4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.137 USER MOD Single : B 357 ASN :FLIP amide:sc= 0.907 F(o=-0.18,f=0.91) USER MOD Single : B 358 ASN : amide:sc= -0.674 X(o=-0.67,f=-0.63) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 367 SER OG : rot 180:sc= 0.00399 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.480 15.396 13.450 1.00 10.00 N ATOM 2 CA ASP A 16 -6.337 14.186 13.451 1.00 10.00 C ATOM 3 C ASP A 16 -5.780 13.145 12.493 1.00 10.00 C ATOM 4 O ASP A 16 -4.713 13.340 11.912 1.00 10.00 O ATOM 5 CB ASP A 16 -7.771 14.548 13.063 1.00 10.00 C ATOM 6 CG ASP A 16 -8.456 15.380 14.127 1.00 10.00 C ATOM 7 OD1 ASP A 16 -9.651 15.705 13.961 1.00 10.00 O ATOM 8 OD2 ASP A 16 -7.806 15.717 15.136 1.00 10.00 O ATOM 0 HA ASP A 16 -6.344 13.767 14.457 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -7.764 15.098 12.122 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -8.342 13.635 12.894 1.00 10.00 H new ATOM 13 N HIS A 17 -6.496 12.040 12.334 1.00 10.00 N ATOM 14 CA HIS A 17 -6.061 10.970 11.446 1.00 10.00 C ATOM 15 C HIS A 17 -7.056 10.767 10.312 1.00 10.00 C ATOM 16 O HIS A 17 -8.175 11.285 10.352 1.00 10.00 O ATOM 17 CB HIS A 17 -5.906 9.656 12.218 1.00 10.00 C ATOM 18 CG HIS A 17 -4.688 9.595 13.091 1.00 10.00 C ATOM 19 ND1 HIS A 17 -4.788 9.405 14.448 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.381 9.653 12.748 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.546 9.353 14.897 1.00 10.00 C ATOM 22 NE2 HIS A 17 -2.658 9.500 13.905 1.00 10.00 N ATOM 0 H HIS A 17 -7.381 11.861 12.809 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.097 11.261 11.029 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.791 9.505 12.837 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -5.870 8.831 11.506 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -2.982 9.793 11.754 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.280 9.210 15.934 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -1.642 9.499 13.992 1.00 10.00 H new ATOM 30 N ILE A 18 -6.645 10.011 9.307 1.00 10.00 N ATOM 31 CA ILE A 18 -7.495 9.723 8.165 1.00 10.00 C ATOM 32 C ILE A 18 -7.647 8.211 8.004 1.00 10.00 C ATOM 33 O ILE A 18 -6.683 7.464 8.171 1.00 10.00 O ATOM 34 CB ILE A 18 -6.931 10.351 6.865 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.881 10.110 5.690 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.543 9.803 6.553 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.452 10.796 4.411 1.00 10.00 C ATOM 0 H ILE A 18 -5.720 9.583 9.260 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.473 10.168 8.347 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.844 11.426 7.021 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.957 9.038 5.509 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.877 10.458 5.962 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.169 10.259 5.636 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.867 10.035 7.376 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.599 8.722 6.424 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -8.173 10.580 3.623 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.404 11.873 4.574 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.469 10.430 4.114 1.00 10.00 H new ATOM 49 N ASN A 19 -8.861 7.764 7.711 1.00 10.00 N ATOM 50 CA ASN A 19 -9.129 6.342 7.541 1.00 10.00 C ATOM 51 C ASN A 19 -8.849 5.901 6.110 1.00 10.00 C ATOM 52 O ASN A 19 -9.455 6.407 5.169 1.00 10.00 O ATOM 53 CB ASN A 19 -10.585 6.022 7.894 1.00 10.00 C ATOM 54 CG ASN A 19 -10.881 6.174 9.374 1.00 10.00 C ATOM 55 OD1 ASN A 19 -10.763 5.223 10.146 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.293 7.362 9.776 1.00 10.00 N ATOM 0 H ASN A 19 -9.675 8.365 7.586 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.466 5.799 8.215 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.244 6.680 7.327 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -10.812 5.001 7.586 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.526 7.516 10.757 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.378 8.126 9.106 1.00 10.00 H new ATOM 63 N LEU A 20 -7.921 4.972 5.947 1.00 10.00 N ATOM 64 CA LEU A 20 -7.580 4.456 4.627 1.00 10.00 C ATOM 65 C LEU A 20 -7.810 2.948 4.585 1.00 10.00 C ATOM 66 O LEU A 20 -7.166 2.195 5.310 1.00 10.00 O ATOM 67 CB LEU A 20 -6.122 4.783 4.281 1.00 10.00 C ATOM 68 CG LEU A 20 -5.776 6.277 4.266 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.295 6.476 4.000 1.00 10.00 C ATOM 70 CD2 LEU A 20 -6.610 7.012 3.226 1.00 10.00 C ATOM 0 H LEU A 20 -7.389 4.558 6.712 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.222 4.934 3.887 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -5.473 4.283 5.000 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -5.895 4.363 3.301 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.010 6.693 5.246 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.067 7.542 3.993 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -3.716 5.986 4.783 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.038 6.043 3.033 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.349 8.070 3.232 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.411 6.595 2.239 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -7.668 6.898 3.461 1.00 10.00 H new ATOM 82 N LYS A 21 -8.739 2.510 3.746 1.00 10.00 N ATOM 83 CA LYS A 21 -9.057 1.091 3.640 1.00 10.00 C ATOM 84 C LYS A 21 -8.200 0.402 2.589 1.00 10.00 C ATOM 85 O LYS A 21 -8.188 0.796 1.421 1.00 10.00 O ATOM 86 CB LYS A 21 -10.531 0.891 3.289 1.00 10.00 C ATOM 87 CG LYS A 21 -11.497 1.512 4.281 1.00 10.00 C ATOM 88 CD LYS A 21 -12.909 1.525 3.729 1.00 10.00 C ATOM 89 CE LYS A 21 -13.883 2.153 4.706 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.193 2.444 4.069 1.00 10.00 N ATOM 0 H LYS A 21 -9.284 3.114 3.131 1.00 10.00 H new ATOM 0 HA LYS A 21 -8.847 0.645 4.612 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -10.719 1.315 2.302 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -10.735 -0.178 3.221 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -11.473 0.952 5.216 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.183 2.530 4.511 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -12.928 2.077 2.789 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -13.223 0.505 3.506 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.031 1.483 5.553 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -13.458 3.076 5.101 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -15.777 3.008 4.719 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.040 2.977 3.189 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -15.680 1.551 3.852 1.00 10.00 H new ATOM 104 N VAL A 22 -7.485 -0.623 3.014 1.00 10.00 N ATOM 105 CA VAL A 22 -6.647 -1.396 2.114 1.00 10.00 C ATOM 106 C VAL A 22 -7.240 -2.790 1.973 1.00 10.00 C ATOM 107 O VAL A 22 -7.167 -3.600 2.898 1.00 10.00 O ATOM 108 CB VAL A 22 -5.191 -1.496 2.623 1.00 10.00 C ATOM 109 CG1 VAL A 22 -4.318 -2.256 1.631 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.621 -0.111 2.887 1.00 10.00 C ATOM 0 H VAL A 22 -7.468 -0.942 3.983 1.00 10.00 H new ATOM 0 HA VAL A 22 -6.619 -0.890 1.149 1.00 10.00 H new ATOM 0 HB VAL A 22 -5.197 -2.051 3.561 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -3.298 -2.313 2.012 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -4.712 -3.264 1.497 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -4.319 -1.736 0.673 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -3.595 -0.202 3.245 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -4.634 0.470 1.965 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -5.225 0.393 3.641 1.00 10.00 H new ATOM 120 N ALA A 23 -7.848 -3.059 0.830 1.00 10.00 N ATOM 121 CA ALA A 23 -8.475 -4.349 0.596 1.00 10.00 C ATOM 122 C ALA A 23 -7.727 -5.145 -0.460 1.00 10.00 C ATOM 123 O ALA A 23 -7.347 -4.609 -1.504 1.00 10.00 O ATOM 124 CB ALA A 23 -9.926 -4.162 0.183 1.00 10.00 C ATOM 0 H ALA A 23 -7.921 -2.404 0.052 1.00 10.00 H new ATOM 0 HA ALA A 23 -8.439 -4.912 1.528 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -10.384 -5.136 0.011 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -10.466 -3.642 0.975 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -9.971 -3.573 -0.733 1.00 10.00 H new ATOM 130 N GLY A 24 -7.513 -6.421 -0.178 1.00 10.00 N ATOM 131 CA GLY A 24 -6.824 -7.281 -1.116 1.00 10.00 C ATOM 132 C GLY A 24 -7.781 -7.900 -2.113 1.00 10.00 C ATOM 133 O GLY A 24 -8.806 -7.305 -2.449 1.00 10.00 O ATOM 0 H GLY A 24 -7.805 -6.877 0.686 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -6.066 -6.706 -1.648 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -6.304 -8.070 -0.573 1.00 10.00 H new ATOM 137 N GLN A 25 -7.461 -9.094 -2.590 1.00 10.00 N ATOM 138 CA GLN A 25 -8.320 -9.774 -3.552 1.00 10.00 C ATOM 139 C GLN A 25 -9.148 -10.839 -2.849 1.00 10.00 C ATOM 140 O GLN A 25 -9.901 -11.582 -3.479 1.00 10.00 O ATOM 141 CB GLN A 25 -7.489 -10.390 -4.681 1.00 10.00 C ATOM 142 CG GLN A 25 -6.711 -9.360 -5.489 1.00 10.00 C ATOM 143 CD GLN A 25 -7.582 -8.225 -5.997 1.00 10.00 C ATOM 144 OE1 GLN A 25 -8.771 -8.405 -6.265 1.00 10.00 O ATOM 145 NE2 GLN A 25 -7.002 -7.046 -6.114 1.00 10.00 N ATOM 0 H GLN A 25 -6.620 -9.610 -2.330 1.00 10.00 H new ATOM 0 HA GLN A 25 -8.996 -9.042 -3.995 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -6.791 -11.111 -4.256 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.150 -10.942 -5.349 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -5.912 -8.949 -4.871 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.236 -9.854 -6.337 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -6.015 -6.938 -5.882 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -7.541 -6.242 -6.436 1.00 10.00 H new ATOM 154 N ASP A 26 -9.007 -10.897 -1.532 1.00 10.00 N ATOM 155 CA ASP A 26 -9.734 -11.859 -0.717 1.00 10.00 C ATOM 156 C ASP A 26 -10.911 -11.181 -0.009 1.00 10.00 C ATOM 157 O ASP A 26 -11.958 -10.959 -0.621 1.00 10.00 O ATOM 158 CB ASP A 26 -8.790 -12.533 0.292 1.00 10.00 C ATOM 159 CG ASP A 26 -7.868 -11.551 0.994 1.00 10.00 C ATOM 160 OD1 ASP A 26 -6.836 -11.170 0.405 1.00 10.00 O ATOM 161 OD2 ASP A 26 -8.185 -11.148 2.132 1.00 10.00 O ATOM 0 H ASP A 26 -8.389 -10.283 -1.002 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.137 -12.635 -1.368 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -9.383 -13.062 1.038 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.189 -13.280 -0.226 1.00 10.00 H new ATOM 166 N GLY A 27 -10.738 -10.839 1.262 1.00 10.00 N ATOM 167 CA GLY A 27 -11.794 -10.188 2.015 1.00 10.00 C ATOM 168 C GLY A 27 -11.255 -9.401 3.194 1.00 10.00 C ATOM 169 O GLY A 27 -11.988 -9.083 4.134 1.00 10.00 O ATOM 0 H GLY A 27 -9.879 -11.002 1.788 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -12.348 -9.519 1.357 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -12.499 -10.939 2.373 1.00 10.00 H new ATOM 173 N SER A 28 -9.964 -9.098 3.152 1.00 10.00 N ATOM 174 CA SER A 28 -9.321 -8.346 4.214 1.00 10.00 C ATOM 175 C SER A 28 -9.577 -6.853 4.043 1.00 10.00 C ATOM 176 O SER A 28 -9.180 -6.258 3.039 1.00 10.00 O ATOM 177 CB SER A 28 -7.817 -8.631 4.219 1.00 10.00 C ATOM 178 OG SER A 28 -7.324 -8.789 2.898 1.00 10.00 O ATOM 0 H SER A 28 -9.342 -9.364 2.389 1.00 10.00 H new ATOM 0 HA SER A 28 -9.743 -8.659 5.169 1.00 10.00 H new ATOM 0 HB2 SER A 28 -7.290 -7.814 4.712 1.00 10.00 H new ATOM 0 HB3 SER A 28 -7.616 -9.534 4.796 1.00 10.00 H new ATOM 0 HG SER A 28 -7.306 -9.741 2.667 1.00 10.00 H new ATOM 184 N VAL A 29 -10.258 -6.255 5.009 1.00 10.00 N ATOM 185 CA VAL A 29 -10.555 -4.831 4.951 1.00 10.00 C ATOM 186 C VAL A 29 -9.894 -4.118 6.122 1.00 10.00 C ATOM 187 O VAL A 29 -10.540 -3.804 7.120 1.00 10.00 O ATOM 188 CB VAL A 29 -12.077 -4.558 4.974 1.00 10.00 C ATOM 189 CG1 VAL A 29 -12.368 -3.103 4.627 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.810 -5.489 4.021 1.00 10.00 C ATOM 0 H VAL A 29 -10.614 -6.730 5.838 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.160 -4.450 4.009 1.00 10.00 H new ATOM 0 HB VAL A 29 -12.439 -4.751 5.984 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -13.444 -2.932 4.649 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -11.882 -2.452 5.353 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -11.986 -2.883 3.630 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -13.879 -5.277 4.055 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.442 -5.335 3.007 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.635 -6.523 4.317 1.00 10.00 H new ATOM 200 N VAL A 30 -8.597 -3.883 6.008 1.00 10.00 N ATOM 201 CA VAL A 30 -7.865 -3.215 7.071 1.00 10.00 C ATOM 202 C VAL A 30 -8.014 -1.708 6.950 1.00 10.00 C ATOM 203 O VAL A 30 -7.953 -1.148 5.850 1.00 10.00 O ATOM 204 CB VAL A 30 -6.369 -3.602 7.088 1.00 10.00 C ATOM 205 CG1 VAL A 30 -6.203 -5.062 7.478 1.00 10.00 C ATOM 206 CG2 VAL A 30 -5.716 -3.329 5.741 1.00 10.00 C ATOM 0 H VAL A 30 -8.034 -4.142 5.198 1.00 10.00 H new ATOM 0 HA VAL A 30 -8.297 -3.548 8.015 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.868 -2.984 7.833 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -5.144 -5.318 7.485 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -6.622 -5.223 8.471 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -6.724 -5.693 6.758 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -4.664 -3.611 5.783 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.217 -3.912 4.969 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -5.798 -2.268 5.505 1.00 10.00 H new ATOM 216 N GLN A 31 -8.221 -1.059 8.082 1.00 10.00 N ATOM 217 CA GLN A 31 -8.400 0.378 8.117 1.00 10.00 C ATOM 218 C GLN A 31 -7.166 1.050 8.702 1.00 10.00 C ATOM 219 O GLN A 31 -6.859 0.897 9.884 1.00 10.00 O ATOM 220 CB GLN A 31 -9.637 0.727 8.947 1.00 10.00 C ATOM 221 CG GLN A 31 -10.140 2.144 8.737 1.00 10.00 C ATOM 222 CD GLN A 31 -11.620 2.182 8.410 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.135 1.326 7.695 1.00 10.00 O ATOM 224 NE2 GLN A 31 -12.319 3.167 8.948 1.00 10.00 N ATOM 0 H GLN A 31 -8.269 -1.511 8.995 1.00 10.00 H new ATOM 0 HA GLN A 31 -8.542 0.742 7.099 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -10.436 0.028 8.701 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -9.405 0.587 10.003 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -9.953 2.731 9.636 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -9.578 2.611 7.928 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.855 3.859 9.537 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -13.322 3.235 8.774 1.00 10.00 H new ATOM 233 N PHE A 32 -6.453 1.775 7.867 1.00 10.00 N ATOM 234 CA PHE A 32 -5.257 2.470 8.297 1.00 10.00 C ATOM 235 C PHE A 32 -5.603 3.826 8.877 1.00 10.00 C ATOM 236 O PHE A 32 -6.195 4.667 8.204 1.00 10.00 O ATOM 237 CB PHE A 32 -4.289 2.638 7.131 1.00 10.00 C ATOM 238 CG PHE A 32 -3.370 1.467 6.950 1.00 10.00 C ATOM 239 CD1 PHE A 32 -3.811 0.316 6.320 1.00 10.00 C ATOM 240 CD2 PHE A 32 -2.063 1.518 7.409 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.968 -0.763 6.150 1.00 10.00 C ATOM 242 CE2 PHE A 32 -1.215 0.441 7.242 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.668 -0.701 6.611 1.00 10.00 C ATOM 0 H PHE A 32 -6.682 1.899 6.881 1.00 10.00 H new ATOM 0 HA PHE A 32 -4.779 1.870 9.071 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -4.858 2.789 6.214 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -3.694 3.537 7.289 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -4.827 0.262 5.957 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -1.704 2.409 7.902 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.325 -1.655 5.657 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -0.199 0.492 7.604 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.006 -1.544 6.478 1.00 10.00 H new ATOM 253 N LYS A 33 -5.243 4.022 10.130 1.00 10.00 N ATOM 254 CA LYS A 33 -5.484 5.275 10.818 1.00 10.00 C ATOM 255 C LYS A 33 -4.163 6.028 10.938 1.00 10.00 C ATOM 256 O LYS A 33 -3.487 5.976 11.966 1.00 10.00 O ATOM 257 CB LYS A 33 -6.094 4.999 12.196 1.00 10.00 C ATOM 258 CG LYS A 33 -6.430 6.249 12.986 1.00 10.00 C ATOM 259 CD LYS A 33 -7.014 5.898 14.342 1.00 10.00 C ATOM 260 CE LYS A 33 -7.185 7.130 15.214 1.00 10.00 C ATOM 261 NZ LYS A 33 -7.779 6.795 16.533 1.00 10.00 N ATOM 0 H LYS A 33 -4.775 3.317 10.700 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.190 5.888 10.258 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.001 4.408 12.068 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.397 4.393 12.775 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.531 6.852 13.119 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.141 6.856 12.426 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -7.979 5.410 14.208 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.363 5.183 14.845 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -6.216 7.607 15.362 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -7.821 7.852 14.702 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -7.880 7.662 17.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -8.714 6.363 16.393 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -7.160 6.126 17.033 1.00 10.00 H new ATOM 275 N ILE A 34 -3.784 6.699 9.861 1.00 10.00 N ATOM 276 CA ILE A 34 -2.529 7.435 9.821 1.00 10.00 C ATOM 277 C ILE A 34 -2.765 8.912 9.539 1.00 10.00 C ATOM 278 O ILE A 34 -3.904 9.347 9.369 1.00 10.00 O ATOM 279 CB ILE A 34 -1.576 6.857 8.745 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.145 7.080 7.337 1.00 10.00 C ATOM 281 CG2 ILE A 34 -1.346 5.373 8.989 1.00 10.00 C ATOM 282 CD1 ILE A 34 -1.191 6.681 6.229 1.00 10.00 C ATOM 0 H ILE A 34 -4.329 6.749 9.000 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.066 7.330 10.802 1.00 10.00 H new ATOM 0 HB ILE A 34 -0.622 7.379 8.816 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.069 6.511 7.233 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.404 8.132 7.221 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -0.675 4.979 8.226 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.900 5.231 9.973 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.298 4.845 8.942 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -1.659 6.866 5.262 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.276 7.268 6.308 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -0.951 5.622 6.319 1.00 10.00 H new ATOM 294 N LYS A 35 -1.686 9.680 9.511 1.00 10.00 N ATOM 295 CA LYS A 35 -1.778 11.107 9.233 1.00 10.00 C ATOM 296 C LYS A 35 -1.823 11.334 7.726 1.00 10.00 C ATOM 297 O LYS A 35 -1.309 10.524 6.956 1.00 10.00 O ATOM 298 CB LYS A 35 -0.589 11.861 9.837 1.00 10.00 C ATOM 299 CG LYS A 35 -0.619 11.965 11.352 1.00 10.00 C ATOM 300 CD LYS A 35 0.607 12.698 11.875 1.00 10.00 C ATOM 301 CE LYS A 35 0.527 12.928 13.374 1.00 10.00 C ATOM 302 NZ LYS A 35 1.721 13.647 13.889 1.00 10.00 N ATOM 0 H LYS A 35 -0.738 9.341 9.677 1.00 10.00 H new ATOM 0 HA LYS A 35 -2.692 11.489 9.688 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.333 11.362 9.537 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.559 12.866 9.416 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.521 12.490 11.666 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -0.663 10.967 11.787 1.00 10.00 H new ATOM 0 HD2 LYS A 35 1.502 12.121 11.643 1.00 10.00 H new ATOM 0 HD3 LYS A 35 0.703 13.656 11.364 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.370 13.502 13.606 1.00 10.00 H new ATOM 0 HE3 LYS A 35 0.433 11.969 13.884 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.628 13.784 14.916 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 2.575 13.088 13.691 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 1.797 14.573 13.421 1.00 10.00 H new ATOM 316 N ARG A 36 -2.415 12.444 7.311 1.00 10.00 N ATOM 317 CA ARG A 36 -2.524 12.772 5.891 1.00 10.00 C ATOM 318 C ARG A 36 -1.162 13.156 5.315 1.00 10.00 C ATOM 319 O ARG A 36 -0.991 13.240 4.098 1.00 10.00 O ATOM 320 CB ARG A 36 -3.521 13.914 5.685 1.00 10.00 C ATOM 321 CG ARG A 36 -4.954 13.533 6.017 1.00 10.00 C ATOM 322 CD ARG A 36 -5.898 14.721 5.903 1.00 10.00 C ATOM 323 NE ARG A 36 -5.860 15.334 4.575 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.816 15.194 3.653 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.898 14.468 3.914 1.00 10.00 N ATOM 326 NH2 ARG A 36 -6.696 15.801 2.480 1.00 10.00 N ATOM 0 H ARG A 36 -2.829 13.136 7.936 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.884 11.888 5.365 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -3.225 14.760 6.305 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.472 14.246 4.648 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -5.284 12.741 5.345 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.997 13.131 7.029 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.915 14.396 6.122 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.633 15.466 6.653 1.00 10.00 H new ATOM 0 HE ARG A 36 -5.050 15.906 4.338 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -8.001 14.015 4.822 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.625 14.364 3.206 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.875 16.373 2.284 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.425 15.696 1.774 1.00 10.00 H new ATOM 340 N HIS A 37 -0.199 13.378 6.205 1.00 10.00 N ATOM 341 CA HIS A 37 1.152 13.765 5.810 1.00 10.00 C ATOM 342 C HIS A 37 2.117 12.588 5.927 1.00 10.00 C ATOM 343 O HIS A 37 3.324 12.737 5.733 1.00 10.00 O ATOM 344 CB HIS A 37 1.650 14.923 6.689 1.00 10.00 C ATOM 345 CG HIS A 37 0.571 15.891 7.080 1.00 10.00 C ATOM 346 ND1 HIS A 37 -0.079 15.786 8.288 1.00 10.00 N ATOM 347 CD2 HIS A 37 0.053 16.933 6.388 1.00 10.00 C ATOM 348 CE1 HIS A 37 -0.976 16.756 8.299 1.00 10.00 C ATOM 349 NE2 HIS A 37 -0.934 17.477 7.170 1.00 10.00 N ATOM 0 H HIS A 37 -0.331 13.296 7.213 1.00 10.00 H new ATOM 0 HA HIS A 37 1.117 14.085 4.769 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.103 14.513 7.592 1.00 10.00 H new ATOM 0 HB3 HIS A 37 2.433 15.462 6.156 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.358 17.271 5.409 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -1.658 16.944 9.115 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -1.523 18.277 6.937 1.00 10.00 H new ATOM 357 N THR A 38 1.582 11.418 6.252 1.00 10.00 N ATOM 358 CA THR A 38 2.395 10.223 6.401 1.00 10.00 C ATOM 359 C THR A 38 2.626 9.550 5.049 1.00 10.00 C ATOM 360 O THR A 38 1.672 9.261 4.326 1.00 10.00 O ATOM 361 CB THR A 38 1.729 9.226 7.374 1.00 10.00 C ATOM 362 OG1 THR A 38 1.524 9.860 8.644 1.00 10.00 O ATOM 363 CG2 THR A 38 2.582 7.977 7.563 1.00 10.00 C ATOM 0 H THR A 38 0.586 11.273 6.417 1.00 10.00 H new ATOM 0 HA THR A 38 3.359 10.526 6.811 1.00 10.00 H new ATOM 0 HB THR A 38 0.773 8.924 6.946 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.250 9.189 9.304 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.083 7.297 8.254 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.720 7.482 6.602 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.554 8.258 7.969 1.00 10.00 H new ATOM 371 N PRO A 39 3.905 9.319 4.682 1.00 10.00 N ATOM 372 CA PRO A 39 4.266 8.670 3.417 1.00 10.00 C ATOM 373 C PRO A 39 3.545 7.340 3.224 1.00 10.00 C ATOM 374 O PRO A 39 3.594 6.463 4.093 1.00 10.00 O ATOM 375 CB PRO A 39 5.775 8.446 3.549 1.00 10.00 C ATOM 376 CG PRO A 39 6.235 9.475 4.517 1.00 10.00 C ATOM 377 CD PRO A 39 5.097 9.691 5.471 1.00 10.00 C ATOM 0 HA PRO A 39 3.986 9.274 2.554 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.994 7.441 3.908 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.276 8.557 2.587 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.128 9.141 5.045 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.495 10.402 4.006 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.198 9.071 6.362 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.047 10.727 5.808 1.00 10.00 H new ATOM 385 N LEU A 40 2.894 7.186 2.075 1.00 10.00 N ATOM 386 CA LEU A 40 2.147 5.969 1.772 1.00 10.00 C ATOM 387 C LEU A 40 3.073 4.761 1.646 1.00 10.00 C ATOM 388 O LEU A 40 2.620 3.618 1.679 1.00 10.00 O ATOM 389 CB LEU A 40 1.327 6.142 0.493 1.00 10.00 C ATOM 390 CG LEU A 40 0.087 7.033 0.629 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.575 7.237 -0.722 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.900 6.426 1.617 1.00 10.00 C ATOM 0 H LEU A 40 2.868 7.890 1.337 1.00 10.00 H new ATOM 0 HA LEU A 40 1.467 5.787 2.604 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.972 6.560 -0.280 1.00 10.00 H new ATOM 0 HB3 LEU A 40 1.011 5.158 0.147 1.00 10.00 H new ATOM 0 HG LEU A 40 0.403 8.005 1.008 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.453 7.872 -0.605 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.129 7.714 -1.404 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.877 6.272 -1.129 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.774 7.072 1.701 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.208 5.442 1.265 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.425 6.330 2.593 1.00 10.00 H new ATOM 404 N SER A 41 4.366 5.020 1.513 1.00 10.00 N ATOM 405 CA SER A 41 5.356 3.958 1.408 1.00 10.00 C ATOM 406 C SER A 41 5.337 3.097 2.666 1.00 10.00 C ATOM 407 O SER A 41 5.426 1.871 2.598 1.00 10.00 O ATOM 408 CB SER A 41 6.738 4.572 1.209 1.00 10.00 C ATOM 409 OG SER A 41 6.722 5.947 1.565 1.00 10.00 O ATOM 0 H SER A 41 4.755 5.962 1.475 1.00 10.00 H new ATOM 0 HA SER A 41 5.118 3.325 0.553 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.471 4.040 1.816 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.046 4.462 0.169 1.00 10.00 H new ATOM 0 HG SER A 41 6.555 6.490 0.766 1.00 10.00 H new ATOM 415 N LYS A 42 5.188 3.753 3.814 1.00 10.00 N ATOM 416 CA LYS A 42 5.150 3.058 5.090 1.00 10.00 C ATOM 417 C LYS A 42 3.840 2.292 5.225 1.00 10.00 C ATOM 418 O LYS A 42 3.782 1.247 5.869 1.00 10.00 O ATOM 419 CB LYS A 42 5.326 4.051 6.241 1.00 10.00 C ATOM 420 CG LYS A 42 6.647 4.802 6.172 1.00 10.00 C ATOM 421 CD LYS A 42 6.918 5.615 7.429 1.00 10.00 C ATOM 422 CE LYS A 42 8.359 6.102 7.455 1.00 10.00 C ATOM 423 NZ LYS A 42 8.694 6.814 8.713 1.00 10.00 N ATOM 0 H LYS A 42 5.092 4.766 3.883 1.00 10.00 H new ATOM 0 HA LYS A 42 5.972 2.344 5.132 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.504 4.767 6.226 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.266 3.516 7.189 1.00 10.00 H new ATOM 0 HG2 LYS A 42 7.459 4.091 6.021 1.00 10.00 H new ATOM 0 HG3 LYS A 42 6.640 5.466 5.308 1.00 10.00 H new ATOM 0 HD2 LYS A 42 6.240 6.468 7.470 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.719 5.007 8.311 1.00 10.00 H new ATOM 0 HE2 LYS A 42 9.029 5.251 7.333 1.00 10.00 H new ATOM 0 HE3 LYS A 42 8.530 6.767 6.608 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.710 7.036 8.726 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.146 7.696 8.769 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 8.461 6.209 9.527 1.00 10.00 H new ATOM 437 N LEU A 43 2.794 2.819 4.599 1.00 10.00 N ATOM 438 CA LEU A 43 1.487 2.179 4.615 1.00 10.00 C ATOM 439 C LEU A 43 1.556 0.881 3.819 1.00 10.00 C ATOM 440 O LEU A 43 1.057 -0.160 4.250 1.00 10.00 O ATOM 441 CB LEU A 43 0.428 3.123 4.023 1.00 10.00 C ATOM 442 CG LEU A 43 -0.928 2.487 3.693 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.064 3.402 4.125 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.027 2.190 2.202 1.00 10.00 C ATOM 0 H LEU A 43 2.828 3.692 4.072 1.00 10.00 H new ATOM 0 HA LEU A 43 1.202 1.953 5.643 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.263 3.939 4.727 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.832 3.564 3.112 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.011 1.548 4.241 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.019 2.935 3.883 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.005 3.573 5.200 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.983 4.355 3.602 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -1.995 1.739 1.984 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -0.924 3.117 1.639 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.233 1.501 1.915 1.00 10.00 H new ATOM 456 N MET A 44 2.200 0.955 2.658 1.00 10.00 N ATOM 457 CA MET A 44 2.361 -0.204 1.792 1.00 10.00 C ATOM 458 C MET A 44 3.244 -1.243 2.471 1.00 10.00 C ATOM 459 O MET A 44 2.953 -2.441 2.439 1.00 10.00 O ATOM 460 CB MET A 44 2.976 0.206 0.451 1.00 10.00 C ATOM 461 CG MET A 44 2.117 1.172 -0.355 1.00 10.00 C ATOM 462 SD MET A 44 2.686 1.368 -2.058 1.00 10.00 S ATOM 463 CE MET A 44 4.346 1.995 -1.808 1.00 10.00 C ATOM 0 H MET A 44 2.620 1.811 2.296 1.00 10.00 H new ATOM 0 HA MET A 44 1.377 -0.635 1.606 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.947 0.665 0.634 1.00 10.00 H new ATOM 0 HB3 MET A 44 3.154 -0.689 -0.144 1.00 10.00 H new ATOM 0 HG2 MET A 44 1.087 0.816 -0.360 1.00 10.00 H new ATOM 0 HG3 MET A 44 2.115 2.145 0.136 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.858 2.063 -2.768 1.00 10.00 H new ATOM 0 HE2 MET A 44 4.297 2.984 -1.353 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.895 1.320 -1.151 1.00 10.00 H new ATOM 473 N LYS A 45 4.314 -0.773 3.103 1.00 10.00 N ATOM 474 CA LYS A 45 5.247 -1.651 3.794 1.00 10.00 C ATOM 475 C LYS A 45 4.599 -2.308 5.007 1.00 10.00 C ATOM 476 O LYS A 45 4.918 -3.448 5.341 1.00 10.00 O ATOM 477 CB LYS A 45 6.501 -0.878 4.204 1.00 10.00 C ATOM 478 CG LYS A 45 7.543 -0.815 3.101 1.00 10.00 C ATOM 479 CD LYS A 45 8.701 0.102 3.460 1.00 10.00 C ATOM 480 CE LYS A 45 9.879 -0.123 2.526 1.00 10.00 C ATOM 481 NZ LYS A 45 10.907 0.943 2.652 1.00 10.00 N ATOM 0 H LYS A 45 4.556 0.217 3.150 1.00 10.00 H new ATOM 0 HA LYS A 45 5.535 -2.444 3.104 1.00 10.00 H new ATOM 0 HB2 LYS A 45 6.220 0.136 4.490 1.00 10.00 H new ATOM 0 HB3 LYS A 45 6.939 -1.347 5.085 1.00 10.00 H new ATOM 0 HG2 LYS A 45 7.923 -1.818 2.904 1.00 10.00 H new ATOM 0 HG3 LYS A 45 7.075 -0.465 2.181 1.00 10.00 H new ATOM 0 HD2 LYS A 45 8.379 1.142 3.402 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.008 -0.079 4.490 1.00 10.00 H new ATOM 0 HE2 LYS A 45 10.333 -1.090 2.743 1.00 10.00 H new ATOM 0 HE3 LYS A 45 9.522 -0.162 1.497 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 11.691 0.748 1.997 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 10.483 1.864 2.420 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 11.268 0.964 3.627 1.00 10.00 H new ATOM 495 N ALA A 46 3.686 -1.596 5.660 1.00 10.00 N ATOM 496 CA ALA A 46 2.995 -2.138 6.826 1.00 10.00 C ATOM 497 C ALA A 46 2.215 -3.389 6.440 1.00 10.00 C ATOM 498 O ALA A 46 2.290 -4.417 7.112 1.00 10.00 O ATOM 499 CB ALA A 46 2.070 -1.098 7.438 1.00 10.00 C ATOM 0 H ALA A 46 3.408 -0.648 5.404 1.00 10.00 H new ATOM 0 HA ALA A 46 3.740 -2.408 7.574 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.566 -1.525 8.305 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.652 -0.230 7.747 1.00 10.00 H new ATOM 0 HB3 ALA A 46 1.328 -0.793 6.701 1.00 10.00 H new ATOM 505 N TYR A 47 1.476 -3.299 5.338 1.00 10.00 N ATOM 506 CA TYR A 47 0.699 -4.429 4.846 1.00 10.00 C ATOM 507 C TYR A 47 1.644 -5.521 4.353 1.00 10.00 C ATOM 508 O TYR A 47 1.375 -6.713 4.507 1.00 10.00 O ATOM 509 CB TYR A 47 -0.239 -3.980 3.721 1.00 10.00 C ATOM 510 CG TYR A 47 -1.272 -5.014 3.330 1.00 10.00 C ATOM 511 CD1 TYR A 47 -1.162 -5.718 2.138 1.00 10.00 C ATOM 512 CD2 TYR A 47 -2.354 -5.288 4.157 1.00 10.00 C ATOM 513 CE1 TYR A 47 -2.103 -6.666 1.780 1.00 10.00 C ATOM 514 CE2 TYR A 47 -3.301 -6.233 3.805 1.00 10.00 C ATOM 515 CZ TYR A 47 -3.171 -6.920 2.615 1.00 10.00 C ATOM 516 OH TYR A 47 -4.107 -7.869 2.262 1.00 10.00 O ATOM 0 H TYR A 47 1.400 -2.455 4.770 1.00 10.00 H new ATOM 0 HA TYR A 47 0.090 -4.827 5.657 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -0.751 -3.069 4.031 1.00 10.00 H new ATOM 0 HB3 TYR A 47 0.357 -3.728 2.844 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.328 -5.522 1.480 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.458 -4.754 5.090 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -2.002 -7.206 0.850 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -4.138 -6.432 4.458 1.00 10.00 H new ATOM 0 HH TYR A 47 -4.793 -7.927 2.959 1.00 10.00 H new ATOM 526 N CYS A 48 2.766 -5.088 3.786 1.00 10.00 N ATOM 527 CA CYS A 48 3.789 -5.990 3.270 1.00 10.00 C ATOM 528 C CYS A 48 4.329 -6.888 4.384 1.00 10.00 C ATOM 529 O CYS A 48 4.382 -8.113 4.241 1.00 10.00 O ATOM 530 CB CYS A 48 4.922 -5.161 2.652 1.00 10.00 C ATOM 531 SG CYS A 48 6.327 -6.116 2.044 1.00 10.00 S ATOM 0 H CYS A 48 2.991 -4.100 3.671 1.00 10.00 H new ATOM 0 HA CYS A 48 3.351 -6.633 2.507 1.00 10.00 H new ATOM 0 HB2 CYS A 48 4.515 -4.577 1.826 1.00 10.00 H new ATOM 0 HB3 CYS A 48 5.280 -4.452 3.398 1.00 10.00 H new ATOM 0 HG CYS A 48 6.069 -7.385 2.154 1.00 10.00 H new ATOM 537 N GLU A 49 4.708 -6.272 5.498 1.00 10.00 N ATOM 538 CA GLU A 49 5.245 -7.006 6.640 1.00 10.00 C ATOM 539 C GLU A 49 4.157 -7.841 7.310 1.00 10.00 C ATOM 540 O GLU A 49 4.416 -8.937 7.811 1.00 10.00 O ATOM 541 CB GLU A 49 5.853 -6.035 7.655 1.00 10.00 C ATOM 542 CG GLU A 49 6.985 -5.185 7.093 1.00 10.00 C ATOM 543 CD GLU A 49 8.189 -6.003 6.669 1.00 10.00 C ATOM 544 OE1 GLU A 49 8.259 -7.200 7.015 1.00 10.00 O ATOM 545 OE2 GLU A 49 9.077 -5.449 5.989 1.00 10.00 O ATOM 0 H GLU A 49 4.653 -5.263 5.636 1.00 10.00 H new ATOM 0 HA GLU A 49 6.023 -7.678 6.276 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.069 -5.377 8.029 1.00 10.00 H new ATOM 0 HB3 GLU A 49 6.226 -6.602 8.508 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.617 -4.621 6.236 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.293 -4.458 7.845 1.00 10.00 H new ATOM 552 N ARG A 50 2.938 -7.316 7.312 1.00 10.00 N ATOM 553 CA ARG A 50 1.801 -7.998 7.921 1.00 10.00 C ATOM 554 C ARG A 50 1.471 -9.296 7.187 1.00 10.00 C ATOM 555 O ARG A 50 1.152 -10.309 7.811 1.00 10.00 O ATOM 556 CB ARG A 50 0.581 -7.074 7.937 1.00 10.00 C ATOM 557 CG ARG A 50 -0.687 -7.733 8.454 1.00 10.00 C ATOM 558 CD ARG A 50 -1.673 -6.704 8.973 1.00 10.00 C ATOM 559 NE ARG A 50 -1.187 -6.048 10.187 1.00 10.00 N ATOM 560 CZ ARG A 50 -1.976 -5.600 11.161 1.00 10.00 C ATOM 561 NH1 ARG A 50 -3.294 -5.729 11.066 1.00 10.00 N ATOM 562 NH2 ARG A 50 -1.445 -5.029 12.233 1.00 10.00 N ATOM 0 H ARG A 50 2.710 -6.413 6.896 1.00 10.00 H new ATOM 0 HA ARG A 50 2.071 -8.253 8.946 1.00 10.00 H new ATOM 0 HB2 ARG A 50 0.805 -6.205 8.556 1.00 10.00 H new ATOM 0 HB3 ARG A 50 0.402 -6.708 6.926 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.150 -8.312 7.655 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -0.436 -8.433 9.251 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -1.855 -5.954 8.203 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.628 -7.187 9.179 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.180 -5.926 10.294 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -3.705 -6.173 10.245 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -3.895 -5.385 11.814 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -0.433 -4.933 12.311 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -2.049 -4.685 12.980 1.00 10.00 H new ATOM 576 N GLN A 51 1.554 -9.266 5.863 1.00 10.00 N ATOM 577 CA GLN A 51 1.261 -10.449 5.063 1.00 10.00 C ATOM 578 C GLN A 51 2.465 -11.382 5.013 1.00 10.00 C ATOM 579 O GLN A 51 2.324 -12.580 4.765 1.00 10.00 O ATOM 580 CB GLN A 51 0.843 -10.054 3.646 1.00 10.00 C ATOM 581 CG GLN A 51 -0.487 -9.319 3.586 1.00 10.00 C ATOM 582 CD GLN A 51 -1.632 -10.126 4.169 1.00 10.00 C ATOM 583 OE1 GLN A 51 -1.898 -10.066 5.369 1.00 10.00 O ATOM 584 NE2 GLN A 51 -2.320 -10.881 3.327 1.00 10.00 N ATOM 0 H GLN A 51 1.820 -8.442 5.323 1.00 10.00 H new ATOM 0 HA GLN A 51 0.433 -10.977 5.537 1.00 10.00 H new ATOM 0 HB2 GLN A 51 1.617 -9.423 3.210 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.780 -10.952 3.031 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -0.401 -8.376 4.127 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.714 -9.072 2.549 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -2.068 -10.903 2.339 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -3.102 -11.440 3.666 1.00 10.00 H new ATOM 593 N GLY A 52 3.646 -10.828 5.251 1.00 10.00 N ATOM 594 CA GLY A 52 4.856 -11.625 5.234 1.00 10.00 C ATOM 595 C GLY A 52 5.338 -11.890 3.825 1.00 10.00 C ATOM 596 O GLY A 52 5.684 -13.021 3.477 1.00 10.00 O ATOM 0 H GLY A 52 3.788 -9.839 5.456 1.00 10.00 H new ATOM 0 HA2 GLY A 52 5.637 -11.111 5.794 1.00 10.00 H new ATOM 0 HA3 GLY A 52 4.673 -12.573 5.739 1.00 10.00 H new ATOM 600 N LEU A 53 5.352 -10.847 3.015 1.00 10.00 N ATOM 601 CA LEU A 53 5.787 -10.952 1.632 1.00 10.00 C ATOM 602 C LEU A 53 6.744 -9.818 1.318 1.00 10.00 C ATOM 603 O LEU A 53 6.932 -8.923 2.140 1.00 10.00 O ATOM 604 CB LEU A 53 4.584 -10.886 0.686 1.00 10.00 C ATOM 605 CG LEU A 53 3.519 -11.963 0.899 1.00 10.00 C ATOM 606 CD1 LEU A 53 2.186 -11.506 0.328 1.00 10.00 C ATOM 607 CD2 LEU A 53 3.953 -13.275 0.266 1.00 10.00 C ATOM 0 H LEU A 53 5.064 -9.909 3.294 1.00 10.00 H new ATOM 0 HA LEU A 53 6.290 -11.909 1.491 1.00 10.00 H new ATOM 0 HB2 LEU A 53 4.114 -9.908 0.792 1.00 10.00 H new ATOM 0 HB3 LEU A 53 4.946 -10.956 -0.340 1.00 10.00 H new ATOM 0 HG LEU A 53 3.398 -12.126 1.970 1.00 10.00 H new ATOM 0 HD11 LEU A 53 1.437 -12.282 0.486 1.00 10.00 H new ATOM 0 HD12 LEU A 53 1.871 -10.590 0.828 1.00 10.00 H new ATOM 0 HD13 LEU A 53 2.293 -11.318 -0.740 1.00 10.00 H new ATOM 0 HD21 LEU A 53 3.183 -14.029 0.428 1.00 10.00 H new ATOM 0 HD22 LEU A 53 4.101 -13.131 -0.804 1.00 10.00 H new ATOM 0 HD23 LEU A 53 4.887 -13.607 0.720 1.00 10.00 H new ATOM 619 N SER A 54 7.355 -9.858 0.147 1.00 10.00 N ATOM 620 CA SER A 54 8.271 -8.810 -0.255 1.00 10.00 C ATOM 621 C SER A 54 7.510 -7.707 -0.981 1.00 10.00 C ATOM 622 O SER A 54 6.555 -7.978 -1.716 1.00 10.00 O ATOM 623 CB SER A 54 9.377 -9.372 -1.154 1.00 10.00 C ATOM 624 OG SER A 54 10.287 -8.352 -1.540 1.00 10.00 O ATOM 0 H SER A 54 7.233 -10.603 -0.539 1.00 10.00 H new ATOM 0 HA SER A 54 8.737 -8.393 0.638 1.00 10.00 H new ATOM 0 HB2 SER A 54 9.913 -10.162 -0.627 1.00 10.00 H new ATOM 0 HB3 SER A 54 8.934 -9.824 -2.041 1.00 10.00 H new ATOM 0 HG SER A 54 10.985 -8.735 -2.112 1.00 10.00 H new ATOM 630 N MET A 55 7.938 -6.465 -0.786 1.00 10.00 N ATOM 631 CA MET A 55 7.292 -5.320 -1.421 1.00 10.00 C ATOM 632 C MET A 55 7.541 -5.332 -2.926 1.00 10.00 C ATOM 633 O MET A 55 6.881 -4.625 -3.684 1.00 10.00 O ATOM 634 CB MET A 55 7.800 -4.010 -0.812 1.00 10.00 C ATOM 635 CG MET A 55 6.929 -2.806 -1.143 1.00 10.00 C ATOM 636 SD MET A 55 7.595 -1.259 -0.491 1.00 10.00 S ATOM 637 CE MET A 55 9.020 -1.030 -1.552 1.00 10.00 C ATOM 0 H MET A 55 8.731 -6.224 -0.192 1.00 10.00 H new ATOM 0 HA MET A 55 6.219 -5.393 -1.245 1.00 10.00 H new ATOM 0 HB2 MET A 55 7.856 -4.120 0.271 1.00 10.00 H new ATOM 0 HB3 MET A 55 8.814 -3.823 -1.167 1.00 10.00 H new ATOM 0 HG2 MET A 55 6.826 -2.724 -2.225 1.00 10.00 H new ATOM 0 HG3 MET A 55 5.929 -2.965 -0.739 1.00 10.00 H new ATOM 0 HE1 MET A 55 9.380 -0.005 -1.461 1.00 10.00 H new ATOM 0 HE2 MET A 55 9.810 -1.720 -1.255 1.00 10.00 H new ATOM 0 HE3 MET A 55 8.738 -1.225 -2.587 1.00 10.00 H new ATOM 647 N ARG A 56 8.488 -6.153 -3.353 1.00 10.00 N ATOM 648 CA ARG A 56 8.815 -6.264 -4.762 1.00 10.00 C ATOM 649 C ARG A 56 7.835 -7.203 -5.462 1.00 10.00 C ATOM 650 O ARG A 56 7.801 -7.279 -6.687 1.00 10.00 O ATOM 651 CB ARG A 56 10.248 -6.773 -4.937 1.00 10.00 C ATOM 652 CG ARG A 56 10.782 -6.618 -6.350 1.00 10.00 C ATOM 653 CD ARG A 56 12.075 -7.387 -6.551 1.00 10.00 C ATOM 654 NE ARG A 56 12.672 -7.108 -7.855 1.00 10.00 N ATOM 655 CZ ARG A 56 13.774 -6.378 -8.033 1.00 10.00 C ATOM 656 NH1 ARG A 56 14.406 -5.843 -6.992 1.00 10.00 N ATOM 657 NH2 ARG A 56 14.244 -6.178 -9.257 1.00 10.00 N ATOM 0 H ARG A 56 9.043 -6.752 -2.742 1.00 10.00 H new ATOM 0 HA ARG A 56 8.737 -5.275 -5.214 1.00 10.00 H new ATOM 0 HB2 ARG A 56 10.902 -6.236 -4.250 1.00 10.00 H new ATOM 0 HB3 ARG A 56 10.287 -7.826 -4.657 1.00 10.00 H new ATOM 0 HG2 ARG A 56 10.035 -6.970 -7.062 1.00 10.00 H new ATOM 0 HG3 ARG A 56 10.950 -5.562 -6.561 1.00 10.00 H new ATOM 0 HD2 ARG A 56 12.781 -7.124 -5.764 1.00 10.00 H new ATOM 0 HD3 ARG A 56 11.881 -8.456 -6.461 1.00 10.00 H new ATOM 0 HE ARG A 56 12.217 -7.496 -8.681 1.00 10.00 H new ATOM 0 HH11 ARG A 56 14.049 -5.990 -6.048 1.00 10.00 H new ATOM 0 HH12 ARG A 56 15.248 -5.286 -7.138 1.00 10.00 H new ATOM 0 HH21 ARG A 56 13.763 -6.582 -10.060 1.00 10.00 H new ATOM 0 HH22 ARG A 56 15.087 -5.620 -9.395 1.00 10.00 H new ATOM 671 N GLN A 57 7.015 -7.890 -4.676 1.00 10.00 N ATOM 672 CA GLN A 57 6.045 -8.829 -5.221 1.00 10.00 C ATOM 673 C GLN A 57 4.646 -8.215 -5.294 1.00 10.00 C ATOM 674 O GLN A 57 3.974 -8.296 -6.321 1.00 10.00 O ATOM 675 CB GLN A 57 6.018 -10.097 -4.368 1.00 10.00 C ATOM 676 CG GLN A 57 4.984 -11.111 -4.819 1.00 10.00 C ATOM 677 CD GLN A 57 4.911 -12.318 -3.906 1.00 10.00 C ATOM 678 OE1 GLN A 57 5.921 -12.772 -3.368 1.00 10.00 O ATOM 679 NE2 GLN A 57 3.712 -12.837 -3.715 1.00 10.00 N ATOM 0 H GLN A 57 7.003 -7.814 -3.659 1.00 10.00 H new ATOM 0 HA GLN A 57 6.351 -9.078 -6.237 1.00 10.00 H new ATOM 0 HB2 GLN A 57 7.004 -10.561 -4.391 1.00 10.00 H new ATOM 0 HB3 GLN A 57 5.819 -9.824 -3.332 1.00 10.00 H new ATOM 0 HG2 GLN A 57 4.006 -10.632 -4.860 1.00 10.00 H new ATOM 0 HG3 GLN A 57 5.221 -11.440 -5.831 1.00 10.00 H new ATOM 0 HE21 GLN A 57 2.900 -12.430 -4.180 1.00 10.00 H new ATOM 0 HE22 GLN A 57 3.597 -13.644 -3.102 1.00 10.00 H new ATOM 688 N ILE A 58 4.213 -7.594 -4.207 1.00 10.00 N ATOM 689 CA ILE A 58 2.886 -6.990 -4.157 1.00 10.00 C ATOM 690 C ILE A 58 2.880 -5.594 -4.769 1.00 10.00 C ATOM 691 O ILE A 58 3.904 -4.910 -4.804 1.00 10.00 O ATOM 692 CB ILE A 58 2.348 -6.919 -2.714 1.00 10.00 C ATOM 693 CG1 ILE A 58 3.408 -6.350 -1.762 1.00 10.00 C ATOM 694 CG2 ILE A 58 1.893 -8.297 -2.258 1.00 10.00 C ATOM 695 CD1 ILE A 58 2.937 -6.229 -0.328 1.00 10.00 C ATOM 0 H ILE A 58 4.757 -7.494 -3.350 1.00 10.00 H new ATOM 0 HA ILE A 58 2.232 -7.634 -4.745 1.00 10.00 H new ATOM 0 HB ILE A 58 1.490 -6.246 -2.696 1.00 10.00 H new ATOM 0 HG12 ILE A 58 4.291 -6.988 -1.792 1.00 10.00 H new ATOM 0 HG13 ILE A 58 3.713 -5.366 -2.119 1.00 10.00 H new ATOM 0 HG21 ILE A 58 1.515 -8.236 -1.238 1.00 10.00 H new ATOM 0 HG22 ILE A 58 1.103 -8.656 -2.917 1.00 10.00 H new ATOM 0 HG23 ILE A 58 2.735 -8.988 -2.292 1.00 10.00 H new ATOM 0 HD11 ILE A 58 3.740 -5.820 0.285 1.00 10.00 H new ATOM 0 HD12 ILE A 58 2.073 -5.566 -0.284 1.00 10.00 H new ATOM 0 HD13 ILE A 58 2.659 -7.214 0.048 1.00 10.00 H new ATOM 707 N ARG A 59 1.722 -5.181 -5.265 1.00 10.00 N ATOM 708 CA ARG A 59 1.564 -3.868 -5.878 1.00 10.00 C ATOM 709 C ARG A 59 0.366 -3.148 -5.276 1.00 10.00 C ATOM 710 O ARG A 59 -0.620 -3.782 -4.910 1.00 10.00 O ATOM 711 CB ARG A 59 1.372 -3.996 -7.391 1.00 10.00 C ATOM 712 CG ARG A 59 2.558 -4.614 -8.110 1.00 10.00 C ATOM 713 CD ARG A 59 3.779 -3.709 -8.056 1.00 10.00 C ATOM 714 NE ARG A 59 4.927 -4.309 -8.729 1.00 10.00 N ATOM 715 CZ ARG A 59 5.787 -5.137 -8.145 1.00 10.00 C ATOM 716 NH1 ARG A 59 5.665 -5.427 -6.860 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.779 -5.673 -8.844 1.00 10.00 N ATOM 0 H ARG A 59 0.870 -5.742 -5.255 1.00 10.00 H new ATOM 0 HA ARG A 59 2.469 -3.293 -5.684 1.00 10.00 H new ATOM 0 HB2 ARG A 59 0.486 -4.601 -7.585 1.00 10.00 H new ATOM 0 HB3 ARG A 59 1.181 -3.007 -7.808 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.797 -5.576 -7.658 1.00 10.00 H new ATOM 0 HG3 ARG A 59 2.294 -4.808 -9.150 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.543 -2.752 -8.522 1.00 10.00 H new ATOM 0 HD3 ARG A 59 4.034 -3.503 -7.016 1.00 10.00 H new ATOM 0 HE ARG A 59 5.079 -4.078 -9.711 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.909 -5.015 -6.314 1.00 10.00 H new ATOM 0 HH12 ARG A 59 6.327 -6.063 -6.416 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.884 -5.450 -9.834 1.00 10.00 H new ATOM 0 HH22 ARG A 59 7.437 -6.308 -8.392 1.00 10.00 H new ATOM 731 N PHE A 60 0.451 -1.832 -5.177 1.00 10.00 N ATOM 732 CA PHE A 60 -0.637 -1.039 -4.619 1.00 10.00 C ATOM 733 C PHE A 60 -1.062 0.035 -5.610 1.00 10.00 C ATOM 734 O PHE A 60 -0.219 0.733 -6.183 1.00 10.00 O ATOM 735 CB PHE A 60 -0.218 -0.391 -3.298 1.00 10.00 C ATOM 736 CG PHE A 60 0.038 -1.373 -2.188 1.00 10.00 C ATOM 737 CD1 PHE A 60 1.271 -1.996 -2.067 1.00 10.00 C ATOM 738 CD2 PHE A 60 -0.950 -1.665 -1.262 1.00 10.00 C ATOM 739 CE1 PHE A 60 1.514 -2.891 -1.045 1.00 10.00 C ATOM 740 CE2 PHE A 60 -0.712 -2.563 -0.237 1.00 10.00 C ATOM 741 CZ PHE A 60 0.522 -3.176 -0.128 1.00 10.00 C ATOM 0 H PHE A 60 1.261 -1.288 -5.475 1.00 10.00 H new ATOM 0 HA PHE A 60 -1.479 -1.704 -4.425 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.685 0.197 -3.464 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -0.997 0.303 -2.983 1.00 10.00 H new ATOM 0 HD1 PHE A 60 2.051 -1.778 -2.782 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -1.915 -1.187 -1.341 1.00 10.00 H new ATOM 0 HE1 PHE A 60 2.479 -3.368 -0.963 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -1.490 -2.785 0.478 1.00 10.00 H new ATOM 0 HZ PHE A 60 0.710 -3.876 0.673 1.00 10.00 H new ATOM 751 N ARG A 61 -2.362 0.161 -5.820 1.00 10.00 N ATOM 752 CA ARG A 61 -2.888 1.149 -6.746 1.00 10.00 C ATOM 753 C ARG A 61 -3.996 1.963 -6.098 1.00 10.00 C ATOM 754 O ARG A 61 -4.747 1.456 -5.265 1.00 10.00 O ATOM 755 CB ARG A 61 -3.430 0.477 -8.008 1.00 10.00 C ATOM 756 CG ARG A 61 -2.359 -0.116 -8.909 1.00 10.00 C ATOM 757 CD ARG A 61 -2.957 -0.596 -10.219 1.00 10.00 C ATOM 758 NE ARG A 61 -2.000 -1.350 -11.026 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.350 -2.133 -12.045 1.00 10.00 C ATOM 760 NH1 ARG A 61 -3.632 -2.277 -12.364 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.419 -2.776 -12.736 1.00 10.00 N ATOM 0 H ARG A 61 -3.072 -0.409 -5.361 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.067 1.813 -7.017 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.122 -0.313 -7.716 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.004 1.208 -8.577 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -1.591 0.631 -9.108 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -1.871 -0.948 -8.401 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -3.825 -1.222 -10.011 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.312 0.262 -10.789 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.009 -1.272 -10.796 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -4.349 -1.788 -11.828 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -3.899 -2.877 -13.145 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.435 -2.671 -12.487 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.686 -3.376 -13.516 1.00 10.00 H new ATOM 775 N PHE A 62 -4.090 3.222 -6.485 1.00 10.00 N ATOM 776 CA PHE A 62 -5.115 4.109 -5.970 1.00 10.00 C ATOM 777 C PHE A 62 -5.994 4.580 -7.119 1.00 10.00 C ATOM 778 O PHE A 62 -5.570 5.400 -7.936 1.00 10.00 O ATOM 779 CB PHE A 62 -4.489 5.311 -5.252 1.00 10.00 C ATOM 780 CG PHE A 62 -5.490 6.368 -4.870 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.432 6.123 -3.885 1.00 10.00 C ATOM 782 CD2 PHE A 62 -5.490 7.601 -5.504 1.00 10.00 C ATOM 783 CE1 PHE A 62 -7.356 7.089 -3.540 1.00 10.00 C ATOM 784 CE2 PHE A 62 -6.413 8.571 -5.162 1.00 10.00 C ATOM 785 CZ PHE A 62 -7.347 8.315 -4.179 1.00 10.00 C ATOM 0 H PHE A 62 -3.462 3.656 -7.161 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.721 3.566 -5.245 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.979 4.963 -4.354 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.731 5.755 -5.897 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.444 5.167 -3.382 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.761 7.806 -6.274 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -8.086 6.887 -2.770 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -6.403 9.528 -5.663 1.00 10.00 H new ATOM 0 HZ PHE A 62 -8.070 9.071 -3.909 1.00 10.00 H new ATOM 795 N ASP A 63 -7.198 4.020 -7.200 1.00 10.00 N ATOM 796 CA ASP A 63 -8.155 4.376 -8.244 1.00 10.00 C ATOM 797 C ASP A 63 -7.579 4.074 -9.632 1.00 10.00 C ATOM 798 O ASP A 63 -7.891 4.747 -10.614 1.00 10.00 O ATOM 799 CB ASP A 63 -8.545 5.856 -8.126 1.00 10.00 C ATOM 800 CG ASP A 63 -9.814 6.194 -8.882 1.00 10.00 C ATOM 801 OD1 ASP A 63 -10.656 5.291 -9.080 1.00 10.00 O ATOM 802 OD2 ASP A 63 -9.979 7.369 -9.278 1.00 10.00 O ATOM 0 H ASP A 63 -7.536 3.312 -6.549 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.052 3.772 -8.113 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -8.677 6.109 -7.074 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.729 6.473 -8.502 1.00 10.00 H new ATOM 807 N GLY A 64 -6.730 3.055 -9.701 1.00 10.00 N ATOM 808 CA GLY A 64 -6.127 2.673 -10.963 1.00 10.00 C ATOM 809 C GLY A 64 -4.671 3.078 -11.069 1.00 10.00 C ATOM 810 O GLY A 64 -3.836 2.295 -11.522 1.00 10.00 O ATOM 0 H GLY A 64 -6.448 2.486 -8.903 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.208 1.593 -11.086 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.686 3.130 -11.780 1.00 10.00 H new ATOM 814 N GLN A 65 -4.358 4.289 -10.637 1.00 10.00 N ATOM 815 CA GLN A 65 -2.993 4.794 -10.708 1.00 10.00 C ATOM 816 C GLN A 65 -2.113 4.160 -9.635 1.00 10.00 C ATOM 817 O GLN A 65 -2.516 4.057 -8.476 1.00 10.00 O ATOM 818 CB GLN A 65 -2.982 6.317 -10.561 1.00 10.00 C ATOM 819 CG GLN A 65 -3.569 7.055 -11.755 1.00 10.00 C ATOM 820 CD GLN A 65 -2.943 6.625 -13.069 1.00 10.00 C ATOM 821 OE1 GLN A 65 -3.464 5.751 -13.761 1.00 10.00 O ATOM 822 NE2 GLN A 65 -1.814 7.225 -13.409 1.00 10.00 N ATOM 0 H GLN A 65 -5.030 4.942 -10.233 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.587 4.526 -11.683 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.542 6.590 -9.666 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.955 6.650 -10.409 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.644 6.880 -11.794 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -3.426 8.127 -11.622 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -1.417 7.945 -12.805 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -1.341 6.968 -14.275 1.00 10.00 H new ATOM 831 N PRO A 66 -0.902 3.717 -10.008 1.00 10.00 N ATOM 832 CA PRO A 66 0.035 3.098 -9.066 1.00 10.00 C ATOM 833 C PRO A 66 0.557 4.101 -8.038 1.00 10.00 C ATOM 834 O PRO A 66 0.801 5.263 -8.357 1.00 10.00 O ATOM 835 CB PRO A 66 1.174 2.604 -9.960 1.00 10.00 C ATOM 836 CG PRO A 66 1.101 3.451 -11.184 1.00 10.00 C ATOM 837 CD PRO A 66 -0.352 3.786 -11.375 1.00 10.00 C ATOM 0 HA PRO A 66 -0.434 2.305 -8.484 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.139 2.710 -9.464 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.055 1.548 -10.203 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.697 4.356 -11.067 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.495 2.919 -12.050 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -0.482 4.777 -11.811 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.843 3.078 -12.042 1.00 10.00 H new ATOM 845 N ILE A 67 0.727 3.645 -6.808 1.00 10.00 N ATOM 846 CA ILE A 67 1.212 4.502 -5.737 1.00 10.00 C ATOM 847 C ILE A 67 2.736 4.532 -5.716 1.00 10.00 C ATOM 848 O ILE A 67 3.390 3.500 -5.883 1.00 10.00 O ATOM 849 CB ILE A 67 0.688 4.029 -4.362 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.835 3.856 -4.406 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.085 5.017 -3.270 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.431 3.365 -3.104 1.00 10.00 C ATOM 0 H ILE A 67 0.536 2.684 -6.525 1.00 10.00 H new ATOM 0 HA ILE A 67 0.836 5.507 -5.929 1.00 10.00 H new ATOM 0 HB ILE A 67 1.140 3.065 -4.130 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.292 4.810 -4.667 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.089 3.153 -5.199 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.708 4.668 -2.309 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.171 5.095 -3.227 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.660 5.996 -3.493 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.511 3.267 -3.212 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.002 2.395 -2.850 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.209 4.078 -2.310 1.00 10.00 H new ATOM 864 N ASN A 68 3.295 5.719 -5.538 1.00 10.00 N ATOM 865 CA ASN A 68 4.737 5.883 -5.482 1.00 10.00 C ATOM 866 C ASN A 68 5.199 5.909 -4.036 1.00 10.00 C ATOM 867 O ASN A 68 4.413 6.181 -3.129 1.00 10.00 O ATOM 868 CB ASN A 68 5.165 7.172 -6.185 1.00 10.00 C ATOM 869 CG ASN A 68 4.787 7.190 -7.650 1.00 10.00 C ATOM 870 OD1 ASN A 68 5.516 6.678 -8.499 1.00 10.00 O ATOM 871 ND2 ASN A 68 3.646 7.782 -7.956 1.00 10.00 N ATOM 0 H ASN A 68 2.768 6.586 -5.430 1.00 10.00 H new ATOM 0 HA ASN A 68 5.199 5.039 -5.995 1.00 10.00 H new ATOM 0 HB2 ASN A 68 4.705 8.024 -5.685 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.244 7.292 -6.091 1.00 10.00 H new ATOM 0 HD21 ASN A 68 3.339 7.827 -8.928 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.072 8.194 -7.220 1.00 10.00 H new ATOM 878 N GLU A 69 6.482 5.651 -3.822 1.00 10.00 N ATOM 879 CA GLU A 69 7.043 5.642 -2.477 1.00 10.00 C ATOM 880 C GLU A 69 7.097 7.052 -1.889 1.00 10.00 C ATOM 881 O GLU A 69 7.279 7.226 -0.686 1.00 10.00 O ATOM 882 CB GLU A 69 8.437 5.013 -2.491 1.00 10.00 C ATOM 883 CG GLU A 69 8.436 3.566 -2.949 1.00 10.00 C ATOM 884 CD GLU A 69 9.830 3.014 -3.146 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.476 2.641 -2.144 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.287 2.950 -4.306 1.00 10.00 O ATOM 0 H GLU A 69 7.154 5.445 -4.561 1.00 10.00 H new ATOM 0 HA GLU A 69 6.391 5.042 -1.842 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.084 5.595 -3.147 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.864 5.070 -1.490 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.909 2.957 -2.214 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.883 3.486 -3.885 1.00 10.00 H new ATOM 893 N THR A 70 6.935 8.056 -2.741 1.00 10.00 N ATOM 894 CA THR A 70 6.951 9.441 -2.294 1.00 10.00 C ATOM 895 C THR A 70 5.536 10.022 -2.280 1.00 10.00 C ATOM 896 O THR A 70 5.340 11.221 -2.068 1.00 10.00 O ATOM 897 CB THR A 70 7.855 10.305 -3.195 1.00 10.00 C ATOM 898 OG1 THR A 70 8.960 9.524 -3.675 1.00 10.00 O ATOM 899 CG2 THR A 70 8.381 11.512 -2.435 1.00 10.00 C ATOM 0 H THR A 70 6.791 7.937 -3.744 1.00 10.00 H new ATOM 0 HA THR A 70 7.352 9.454 -1.281 1.00 10.00 H new ATOM 0 HB THR A 70 7.260 10.654 -4.039 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.529 10.079 -4.248 1.00 10.00 H new ATOM 0 HG21 THR A 70 9.016 12.107 -3.091 1.00 10.00 H new ATOM 0 HG22 THR A 70 7.543 12.120 -2.093 1.00 10.00 H new ATOM 0 HG23 THR A 70 8.961 11.176 -1.575 1.00 10.00 H new ATOM 907 N ASP A 71 4.546 9.165 -2.499 1.00 10.00 N ATOM 908 CA ASP A 71 3.156 9.608 -2.511 1.00 10.00 C ATOM 909 C ASP A 71 2.608 9.688 -1.095 1.00 10.00 C ATOM 910 O ASP A 71 3.046 8.959 -0.201 1.00 10.00 O ATOM 911 CB ASP A 71 2.283 8.674 -3.353 1.00 10.00 C ATOM 912 CG ASP A 71 2.177 9.116 -4.801 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.151 10.339 -5.057 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.119 8.237 -5.688 1.00 10.00 O ATOM 0 H ASP A 71 4.677 8.168 -2.669 1.00 10.00 H new ATOM 0 HA ASP A 71 3.131 10.601 -2.960 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.695 7.666 -3.315 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.285 8.627 -2.918 1.00 10.00 H new ATOM 919 N THR A 72 1.655 10.579 -0.900 1.00 10.00 N ATOM 920 CA THR A 72 1.031 10.776 0.397 1.00 10.00 C ATOM 921 C THR A 72 -0.479 10.933 0.228 1.00 10.00 C ATOM 922 O THR A 72 -0.943 11.262 -0.864 1.00 10.00 O ATOM 923 CB THR A 72 1.608 12.027 1.097 1.00 10.00 C ATOM 924 OG1 THR A 72 2.100 12.951 0.115 1.00 10.00 O ATOM 925 CG2 THR A 72 2.735 11.649 2.048 1.00 10.00 C ATOM 0 H THR A 72 1.291 11.187 -1.634 1.00 10.00 H new ATOM 0 HA THR A 72 1.240 9.903 1.016 1.00 10.00 H new ATOM 0 HB THR A 72 0.809 12.493 1.674 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.463 13.743 0.564 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.123 12.548 2.527 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.356 10.967 2.809 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.534 11.162 1.490 1.00 10.00 H new ATOM 933 N PRO A 73 -1.268 10.692 1.290 1.00 10.00 N ATOM 934 CA PRO A 73 -2.730 10.824 1.231 1.00 10.00 C ATOM 935 C PRO A 73 -3.157 12.205 0.734 1.00 10.00 C ATOM 936 O PRO A 73 -4.075 12.331 -0.075 1.00 10.00 O ATOM 937 CB PRO A 73 -3.171 10.611 2.683 1.00 10.00 C ATOM 938 CG PRO A 73 -2.075 9.816 3.303 1.00 10.00 C ATOM 939 CD PRO A 73 -0.808 10.258 2.626 1.00 10.00 C ATOM 0 HA PRO A 73 -3.179 10.116 0.535 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -3.309 11.562 3.198 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -4.122 10.080 2.733 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -2.025 9.992 4.378 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.240 8.748 3.162 1.00 10.00 H new ATOM 0 HD2 PRO A 73 -0.325 11.071 3.168 1.00 10.00 H new ATOM 0 HD3 PRO A 73 -0.084 9.446 2.558 1.00 10.00 H new ATOM 947 N ALA A 74 -2.464 13.235 1.206 1.00 10.00 N ATOM 948 CA ALA A 74 -2.760 14.606 0.810 1.00 10.00 C ATOM 949 C ALA A 74 -2.326 14.869 -0.634 1.00 10.00 C ATOM 950 O ALA A 74 -2.881 15.728 -1.314 1.00 10.00 O ATOM 951 CB ALA A 74 -2.076 15.582 1.755 1.00 10.00 C ATOM 0 H ALA A 74 -1.691 13.146 1.865 1.00 10.00 H new ATOM 0 HA ALA A 74 -3.839 14.753 0.868 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -2.304 16.604 1.450 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -2.436 15.418 2.771 1.00 10.00 H new ATOM 0 HB3 ALA A 74 -0.998 15.425 1.722 1.00 10.00 H new ATOM 957 N GLN A 75 -1.340 14.115 -1.097 1.00 10.00 N ATOM 958 CA GLN A 75 -0.830 14.271 -2.455 1.00 10.00 C ATOM 959 C GLN A 75 -1.782 13.643 -3.468 1.00 10.00 C ATOM 960 O GLN A 75 -2.094 14.244 -4.493 1.00 10.00 O ATOM 961 CB GLN A 75 0.560 13.640 -2.569 1.00 10.00 C ATOM 962 CG GLN A 75 1.128 13.618 -3.983 1.00 10.00 C ATOM 963 CD GLN A 75 1.280 15.002 -4.584 1.00 10.00 C ATOM 964 OE1 GLN A 75 1.447 15.994 -3.872 1.00 10.00 O ATOM 965 NE2 GLN A 75 1.226 15.078 -5.903 1.00 10.00 N ATOM 0 H GLN A 75 -0.875 13.388 -0.553 1.00 10.00 H new ATOM 0 HA GLN A 75 -0.755 15.336 -2.675 1.00 10.00 H new ATOM 0 HB2 GLN A 75 1.247 14.186 -1.923 1.00 10.00 H new ATOM 0 HB3 GLN A 75 0.513 12.618 -2.193 1.00 10.00 H new ATOM 0 HG2 GLN A 75 2.100 13.125 -3.970 1.00 10.00 H new ATOM 0 HG3 GLN A 75 0.476 13.021 -4.621 1.00 10.00 H new ATOM 0 HE21 GLN A 75 1.086 14.233 -6.457 1.00 10.00 H new ATOM 0 HE22 GLN A 75 1.324 15.981 -6.366 1.00 10.00 H new ATOM 974 N LEU A 76 -2.256 12.442 -3.162 1.00 10.00 N ATOM 975 CA LEU A 76 -3.169 11.731 -4.056 1.00 10.00 C ATOM 976 C LEU A 76 -4.604 12.225 -3.895 1.00 10.00 C ATOM 977 O LEU A 76 -5.513 11.715 -4.549 1.00 10.00 O ATOM 978 CB LEU A 76 -3.109 10.222 -3.800 1.00 10.00 C ATOM 979 CG LEU A 76 -1.809 9.534 -4.220 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.913 8.031 -4.017 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.479 9.847 -5.673 1.00 10.00 C ATOM 0 H LEU A 76 -2.026 11.939 -2.305 1.00 10.00 H new ATOM 0 HA LEU A 76 -2.849 11.934 -5.078 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -3.266 10.045 -2.736 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.937 9.748 -4.327 1.00 10.00 H new ATOM 0 HG LEU A 76 -1.004 9.917 -3.593 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.979 7.557 -4.321 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -2.102 7.818 -2.965 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.732 7.638 -4.620 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.551 9.348 -5.951 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.287 9.494 -6.314 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -1.363 10.924 -5.796 1.00 10.00 H new ATOM 993 N GLU A 77 -4.797 13.217 -3.022 1.00 10.00 N ATOM 994 CA GLU A 77 -6.118 13.795 -2.769 1.00 10.00 C ATOM 995 C GLU A 77 -7.075 12.740 -2.218 1.00 10.00 C ATOM 996 O GLU A 77 -8.235 12.649 -2.633 1.00 10.00 O ATOM 997 CB GLU A 77 -6.688 14.413 -4.050 1.00 10.00 C ATOM 998 CG GLU A 77 -5.818 15.511 -4.639 1.00 10.00 C ATOM 999 CD GLU A 77 -6.281 16.892 -4.236 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -6.237 17.214 -3.032 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -6.697 17.666 -5.123 1.00 10.00 O ATOM 0 H GLU A 77 -4.047 13.639 -2.474 1.00 10.00 H new ATOM 0 HA GLU A 77 -6.007 14.581 -2.022 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -6.820 13.628 -4.794 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -7.677 14.820 -3.838 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -4.787 15.367 -4.315 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -5.824 15.432 -5.726 1.00 10.00 H new ATOM 1008 N MET A 78 -6.577 11.955 -1.277 1.00 10.00 N ATOM 1009 CA MET A 78 -7.362 10.899 -0.661 1.00 10.00 C ATOM 1010 C MET A 78 -8.203 11.461 0.475 1.00 10.00 C ATOM 1011 O MET A 78 -7.797 12.412 1.146 1.00 10.00 O ATOM 1012 CB MET A 78 -6.441 9.795 -0.134 1.00 10.00 C ATOM 1013 CG MET A 78 -5.469 9.269 -1.176 1.00 10.00 C ATOM 1014 SD MET A 78 -4.259 8.120 -0.493 1.00 10.00 S ATOM 1015 CE MET A 78 -5.277 6.665 -0.265 1.00 10.00 C ATOM 0 H MET A 78 -5.624 12.031 -0.921 1.00 10.00 H new ATOM 0 HA MET A 78 -8.027 10.475 -1.414 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.877 10.178 0.717 1.00 10.00 H new ATOM 0 HB3 MET A 78 -7.050 8.969 0.233 1.00 10.00 H new ATOM 0 HG2 MET A 78 -6.028 8.771 -1.968 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.946 10.109 -1.634 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.944 6.123 0.620 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.317 6.965 -0.137 1.00 10.00 H new ATOM 0 HE3 MET A 78 -5.191 6.020 -1.139 1.00 10.00 H new ATOM 1025 N GLU A 79 -9.372 10.876 0.686 1.00 10.00 N ATOM 1026 CA GLU A 79 -10.261 11.328 1.741 1.00 10.00 C ATOM 1027 C GLU A 79 -10.508 10.220 2.752 1.00 10.00 C ATOM 1028 O GLU A 79 -9.998 9.108 2.607 1.00 10.00 O ATOM 1029 CB GLU A 79 -11.581 11.830 1.156 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.573 13.321 0.860 1.00 10.00 C ATOM 1031 CD GLU A 79 -11.228 14.151 2.083 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -12.154 14.552 2.817 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -10.029 14.412 2.319 1.00 10.00 O ATOM 0 H GLU A 79 -9.725 10.089 0.141 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.779 12.157 2.259 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -11.795 11.284 0.237 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -12.388 11.608 1.854 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.853 13.528 0.069 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.552 13.620 0.486 1.00 10.00 H new ATOM 1040 N ASP A 80 -11.289 10.529 3.776 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.589 9.561 4.822 1.00 10.00 C ATOM 1042 C ASP A 80 -12.387 8.385 4.275 1.00 10.00 C ATOM 1043 O ASP A 80 -13.344 8.565 3.519 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.357 10.224 5.965 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.365 9.373 7.216 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.454 8.931 7.636 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.279 9.142 7.786 1.00 10.00 O ATOM 0 H ASP A 80 -11.726 11.441 3.906 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.640 9.184 5.203 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.909 11.192 6.189 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.383 10.413 5.650 1.00 10.00 H new ATOM 1052 N GLU A 81 -11.954 7.187 4.654 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.581 5.934 4.244 1.00 10.00 C ATOM 1054 C GLU A 81 -12.326 5.639 2.770 1.00 10.00 C ATOM 1055 O GLU A 81 -13.134 4.983 2.107 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.080 5.928 4.556 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.379 5.740 6.035 1.00 10.00 C ATOM 1058 CD GLU A 81 -15.806 5.314 6.292 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -16.494 5.981 7.093 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.249 4.308 5.694 1.00 10.00 O ATOM 0 H GLU A 81 -11.146 7.057 5.263 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.120 5.136 4.826 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.519 6.867 4.219 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.560 5.130 3.990 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -13.701 4.992 6.446 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.182 6.673 6.563 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.183 6.108 2.272 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.797 5.875 0.883 1.00 10.00 C ATOM 1069 C ASP A 82 -10.410 4.408 0.710 1.00 10.00 C ATOM 1070 O ASP A 82 -10.238 3.694 1.698 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.634 6.784 0.480 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.815 7.367 -0.906 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -10.017 6.586 -1.861 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -9.760 8.612 -1.046 1.00 10.00 O ATOM 0 H ASP A 82 -10.509 6.652 2.811 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.642 6.109 0.235 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.541 7.594 1.203 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.704 6.217 0.515 1.00 10.00 H new ATOM 1079 N THR A 83 -10.266 3.950 -0.524 1.00 10.00 N ATOM 1080 CA THR A 83 -9.928 2.553 -0.769 1.00 10.00 C ATOM 1081 C THR A 83 -8.689 2.401 -1.656 1.00 10.00 C ATOM 1082 O THR A 83 -8.519 3.115 -2.643 1.00 10.00 O ATOM 1083 CB THR A 83 -11.119 1.813 -1.408 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.326 2.144 -0.703 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.910 0.306 -1.377 1.00 10.00 C ATOM 0 H THR A 83 -10.376 4.517 -1.365 1.00 10.00 H new ATOM 0 HA THR A 83 -9.699 2.109 0.200 1.00 10.00 H new ATOM 0 HB THR A 83 -11.198 2.127 -2.449 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.083 1.674 -1.111 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.766 -0.190 -1.835 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.006 0.053 -1.930 1.00 10.00 H new ATOM 0 HG23 THR A 83 -10.808 -0.026 -0.344 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.828 1.464 -1.273 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.603 1.173 -2.007 1.00 10.00 C ATOM 1095 C ILE A 84 -6.656 -0.250 -2.563 1.00 10.00 C ATOM 1096 O ILE A 84 -7.123 -1.170 -1.883 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.363 1.339 -1.097 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.289 2.775 -0.574 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.084 0.976 -1.845 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.346 2.951 0.597 1.00 10.00 C ATOM 0 H ILE A 84 -7.961 0.885 -0.444 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.520 1.880 -2.832 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.461 0.658 -0.251 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.973 3.431 -1.385 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.287 3.095 -0.276 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.227 1.101 -1.183 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.138 -0.061 -2.176 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -3.972 1.628 -2.711 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.347 3.995 0.912 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.673 2.322 1.425 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.338 2.663 0.299 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.188 -0.428 -3.793 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.201 -1.736 -4.443 1.00 10.00 C ATOM 1114 C ASP A 85 -4.855 -2.435 -4.306 1.00 10.00 C ATOM 1115 O ASP A 85 -3.805 -1.823 -4.509 1.00 10.00 O ATOM 1116 CB ASP A 85 -6.548 -1.594 -5.927 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.037 -1.465 -6.180 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.778 -2.429 -5.897 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.473 -0.400 -6.668 1.00 10.00 O ATOM 0 H ASP A 85 -5.793 0.320 -4.363 1.00 10.00 H new ATOM 0 HA ASP A 85 -6.961 -2.340 -3.947 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.040 -0.718 -6.331 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.167 -2.461 -6.467 1.00 10.00 H new ATOM 1124 N VAL A 86 -4.888 -3.716 -3.958 1.00 10.00 N ATOM 1125 CA VAL A 86 -3.672 -4.507 -3.807 1.00 10.00 C ATOM 1126 C VAL A 86 -3.600 -5.574 -4.894 1.00 10.00 C ATOM 1127 O VAL A 86 -4.558 -6.318 -5.107 1.00 10.00 O ATOM 1128 CB VAL A 86 -3.597 -5.193 -2.425 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -2.247 -5.870 -2.223 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -3.867 -4.196 -1.311 1.00 10.00 C ATOM 0 H VAL A 86 -5.749 -4.232 -3.774 1.00 10.00 H new ATOM 0 HA VAL A 86 -2.830 -3.821 -3.896 1.00 10.00 H new ATOM 0 HB VAL A 86 -4.370 -5.961 -2.391 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.221 -6.345 -1.242 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -2.099 -6.625 -2.996 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -1.453 -5.125 -2.286 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -3.809 -4.702 -0.348 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.124 -3.399 -1.348 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -4.862 -3.770 -1.437 1.00 10.00 H new ATOM 1140 N PHE A 87 -2.467 -5.647 -5.578 1.00 10.00 N ATOM 1141 CA PHE A 87 -2.279 -6.619 -6.645 1.00 10.00 C ATOM 1142 C PHE A 87 -1.006 -7.424 -6.426 1.00 10.00 C ATOM 1143 O PHE A 87 -0.202 -7.105 -5.550 1.00 10.00 O ATOM 1144 CB PHE A 87 -2.222 -5.918 -8.005 1.00 10.00 C ATOM 1145 CG PHE A 87 -3.499 -5.221 -8.369 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -4.562 -5.933 -8.899 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -3.639 -3.856 -8.168 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -5.743 -5.296 -9.226 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -4.817 -3.215 -8.495 1.00 10.00 C ATOM 1150 CZ PHE A 87 -5.869 -3.935 -9.022 1.00 10.00 C ATOM 0 H PHE A 87 -1.662 -5.043 -5.412 1.00 10.00 H new ATOM 0 HA PHE A 87 -3.129 -7.301 -6.632 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -1.409 -5.191 -7.997 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -1.985 -6.653 -8.775 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -4.467 -6.997 -9.058 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -2.819 -3.289 -7.752 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -6.566 -5.860 -9.640 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -4.915 -2.151 -8.338 1.00 10.00 H new ATOM 0 HZ PHE A 87 -6.792 -3.435 -9.275 1.00 10.00 H new ATOM 1160 N GLN A 88 -0.832 -8.461 -7.231 1.00 10.00 N ATOM 1161 CA GLN A 88 0.336 -9.325 -7.139 1.00 10.00 C ATOM 1162 C GLN A 88 1.046 -9.398 -8.484 1.00 10.00 C ATOM 1163 O GLN A 88 0.416 -9.648 -9.515 1.00 10.00 O ATOM 1164 CB GLN A 88 -0.082 -10.727 -6.694 1.00 10.00 C ATOM 1165 CG GLN A 88 -0.564 -10.787 -5.254 1.00 10.00 C ATOM 1166 CD GLN A 88 0.496 -11.294 -4.300 1.00 10.00 C ATOM 1167 OE1 GLN A 88 1.692 -11.113 -4.526 1.00 10.00 O ATOM 1168 NE2 GLN A 88 0.064 -11.933 -3.226 1.00 10.00 N ATOM 0 H GLN A 88 -1.492 -8.727 -7.962 1.00 10.00 H new ATOM 0 HA GLN A 88 1.022 -8.907 -6.402 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -0.875 -11.086 -7.350 1.00 10.00 H new ATOM 0 HB3 GLN A 88 0.763 -11.405 -6.815 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -0.882 -9.793 -4.941 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -1.439 -11.435 -5.195 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -0.937 -12.061 -3.077 1.00 10.00 H new ATOM 0 HE22 GLN A 88 0.732 -12.298 -2.547 1.00 10.00 H new ATOM 1177 N GLN A 89 2.352 -9.171 -8.475 1.00 10.00 N ATOM 1178 CA GLN A 89 3.141 -9.215 -9.697 1.00 10.00 C ATOM 1179 C GLN A 89 3.181 -10.633 -10.254 1.00 10.00 C ATOM 1180 O GLN A 89 3.288 -11.605 -9.501 1.00 10.00 O ATOM 1181 CB GLN A 89 4.562 -8.711 -9.440 1.00 10.00 C ATOM 1182 CG GLN A 89 5.270 -8.219 -10.694 1.00 10.00 C ATOM 1183 CD GLN A 89 4.518 -7.098 -11.385 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.834 -6.301 -10.742 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.641 -7.022 -12.700 1.00 10.00 N ATOM 0 H GLN A 89 2.887 -8.954 -7.634 1.00 10.00 H new ATOM 0 HA GLN A 89 2.669 -8.563 -10.431 1.00 10.00 H new ATOM 0 HB2 GLN A 89 4.525 -7.901 -8.712 1.00 10.00 H new ATOM 0 HB3 GLN A 89 5.148 -9.514 -8.993 1.00 10.00 H new ATOM 0 HG2 GLN A 89 6.270 -7.873 -10.431 1.00 10.00 H new ATOM 0 HG3 GLN A 89 5.393 -9.051 -11.388 1.00 10.00 H new ATOM 0 HE21 GLN A 89 5.217 -7.701 -13.198 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.160 -6.285 -13.215 1.00 10.00 H new ATOM 1194 N GLN A 90 3.082 -10.743 -11.571 1.00 10.00 N ATOM 1195 CA GLN A 90 3.101 -12.034 -12.236 1.00 10.00 C ATOM 1196 C GLN A 90 4.496 -12.635 -12.179 1.00 10.00 C ATOM 1197 O GLN A 90 5.495 -11.923 -12.300 1.00 10.00 O ATOM 1198 CB GLN A 90 2.664 -11.905 -13.698 1.00 10.00 C ATOM 1199 CG GLN A 90 1.332 -11.198 -13.895 1.00 10.00 C ATOM 1200 CD GLN A 90 1.458 -9.686 -13.844 1.00 10.00 C ATOM 1201 OE1 GLN A 90 2.525 -9.133 -14.100 1.00 10.00 O ATOM 1202 NE2 GLN A 90 0.371 -9.009 -13.517 1.00 10.00 N ATOM 0 H GLN A 90 2.987 -9.947 -12.202 1.00 10.00 H new ATOM 0 HA GLN A 90 2.400 -12.688 -11.716 1.00 10.00 H new ATOM 0 HB2 GLN A 90 3.434 -11.364 -14.248 1.00 10.00 H new ATOM 0 HB3 GLN A 90 2.601 -12.902 -14.135 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.908 -11.491 -14.856 1.00 10.00 H new ATOM 0 HG3 GLN A 90 0.634 -11.526 -13.125 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -0.496 -9.505 -13.311 1.00 10.00 H new ATOM 0 HE22 GLN A 90 0.399 -7.990 -13.470 1.00 10.00 H new ATOM 1211 N THR A 91 4.558 -13.940 -12.001 1.00 10.00 N ATOM 1212 CA THR A 91 5.824 -14.647 -11.930 1.00 10.00 C ATOM 1213 C THR A 91 6.495 -14.711 -13.300 1.00 10.00 C ATOM 1214 O THR A 91 7.724 -14.728 -13.408 1.00 10.00 O ATOM 1215 CB THR A 91 5.597 -16.064 -11.393 1.00 10.00 C ATOM 1216 OG1 THR A 91 4.247 -16.460 -11.669 1.00 10.00 O ATOM 1217 CG2 THR A 91 5.851 -16.119 -9.895 1.00 10.00 C ATOM 0 H THR A 91 3.738 -14.538 -11.902 1.00 10.00 H new ATOM 0 HA THR A 91 6.483 -14.103 -11.254 1.00 10.00 H new ATOM 0 HB THR A 91 6.293 -16.744 -11.884 1.00 10.00 H new ATOM 0 HG1 THR A 91 4.096 -17.367 -11.329 1.00 10.00 H new ATOM 0 HG21 THR A 91 5.684 -17.134 -9.535 1.00 10.00 H new ATOM 0 HG22 THR A 91 6.881 -15.826 -9.690 1.00 10.00 H new ATOM 0 HG23 THR A 91 5.171 -15.437 -9.385 1.00 10.00 H new ATOM 1225 N GLY A 92 5.678 -14.731 -14.341 1.00 10.00 N ATOM 1226 CA GLY A 92 6.188 -14.787 -15.691 1.00 10.00 C ATOM 1227 C GLY A 92 5.101 -14.534 -16.709 1.00 10.00 C ATOM 1228 O GLY A 92 4.101 -13.873 -16.357 1.00 10.00 O ATOM 0 H GLY A 92 4.661 -14.709 -14.272 1.00 10.00 H new ATOM 0 HA2 GLY A 92 6.979 -14.047 -15.812 1.00 10.00 H new ATOM 0 HA3 GLY A 92 6.635 -15.765 -15.871 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -15.618 -10.734 5.928 1.00 10.00 N ATOM 1234 CA ASN B 357 -14.594 -9.677 5.846 1.00 10.00 C ATOM 1235 C ASN B 357 -14.017 -9.411 7.221 1.00 10.00 C ATOM 1236 O ASN B 357 -14.700 -9.556 8.234 1.00 10.00 O ATOM 1237 CB ASN B 357 -15.174 -8.380 5.259 1.00 10.00 C ATOM 1238 CG ASN B 357 -16.275 -7.761 6.114 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -16.394 -6.437 6.065 1.00 10.00 O flip ATOM 1240 ND2 ASN B 357 -17.017 -8.456 6.804 1.00 10.00 N flip ATOM 0 HA ASN B 357 -13.803 -10.023 5.180 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -14.369 -7.655 5.137 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -15.570 -8.587 4.265 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -16.899 -9.469 6.819 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -17.751 -8.020 7.362 1.00 10.00 H new ATOM 1247 N ASN B 358 -12.755 -9.035 7.251 1.00 10.00 N ATOM 1248 CA ASN B 358 -12.077 -8.746 8.504 1.00 10.00 C ATOM 1249 C ASN B 358 -11.572 -7.315 8.512 1.00 10.00 C ATOM 1250 O ASN B 358 -10.950 -6.866 7.550 1.00 10.00 O ATOM 1251 CB ASN B 358 -10.917 -9.729 8.744 1.00 10.00 C ATOM 1252 CG ASN B 358 -9.914 -9.759 7.603 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -8.958 -8.985 7.576 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -10.118 -10.663 6.654 1.00 10.00 N ATOM 0 H ASN B 358 -12.174 -8.921 6.420 1.00 10.00 H new ATOM 0 HA ASN B 358 -12.795 -8.868 9.315 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -10.402 -9.456 9.665 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -11.322 -10.730 8.890 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -9.471 -10.733 5.869 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -10.922 -11.288 6.710 1.00 10.00 H new ATOM 1261 N ARG B 359 -11.860 -6.578 9.582 1.00 10.00 N ATOM 1262 CA ARG B 359 -11.408 -5.194 9.669 1.00 10.00 C ATOM 1263 C ARG B 359 -10.493 -4.977 10.877 1.00 10.00 C ATOM 1264 O ARG B 359 -10.858 -5.255 12.025 1.00 10.00 O ATOM 1265 CB ARG B 359 -12.609 -4.236 9.730 1.00 10.00 C ATOM 1266 CG ARG B 359 -13.708 -4.683 10.681 1.00 10.00 C ATOM 1267 CD ARG B 359 -14.883 -3.714 10.677 1.00 10.00 C ATOM 1268 NE ARG B 359 -14.592 -2.480 11.407 1.00 10.00 N ATOM 1269 CZ ARG B 359 -15.451 -1.465 11.520 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.624 -1.513 10.898 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -15.140 -0.401 12.250 1.00 10.00 N ATOM 0 H ARG B 359 -12.394 -6.908 10.386 1.00 10.00 H new ATOM 0 HA ARG B 359 -10.831 -4.979 8.770 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -12.259 -3.249 10.034 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -13.029 -4.131 8.729 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -14.054 -5.676 10.396 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.305 -4.763 11.691 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.146 -3.470 9.648 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -15.752 -4.199 11.121 1.00 10.00 H new ATOM 0 HE ARG B 359 -13.680 -2.390 11.855 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.869 -2.326 10.333 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -17.280 -0.737 10.985 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -14.240 -0.356 12.728 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -15.801 0.372 12.333 1.00 10.00 H new ATOM 1285 N ASP B 360 -9.290 -4.495 10.593 1.00 10.00 N ATOM 1286 CA ASP B 360 -8.292 -4.194 11.614 1.00 10.00 C ATOM 1287 C ASP B 360 -7.780 -2.769 11.445 1.00 10.00 C ATOM 1288 O ASP B 360 -7.462 -2.375 10.326 1.00 10.00 O ATOM 1289 CB ASP B 360 -7.123 -5.187 11.580 1.00 10.00 C ATOM 1290 CG ASP B 360 -6.279 -5.110 12.839 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -5.088 -4.748 12.747 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -6.800 -5.419 13.929 1.00 10.00 O ATOM 0 H ASP B 360 -8.976 -4.300 9.642 1.00 10.00 H new ATOM 0 HA ASP B 360 -8.775 -4.289 12.586 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -7.510 -6.199 11.463 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -6.498 -4.983 10.711 1.00 10.00 H new ATOM 1297 N PRO B 361 -7.657 -1.970 12.521 1.00 10.00 N ATOM 1298 CA PRO B 361 -7.167 -0.608 12.397 1.00 10.00 C ATOM 1299 C PRO B 361 -5.731 -0.474 12.893 1.00 10.00 C ATOM 1300 O PRO B 361 -5.382 -0.857 14.011 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.119 0.143 13.326 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.484 -0.846 14.397 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.135 -2.235 13.880 1.00 10.00 C ATOM 0 HA PRO B 361 -7.148 -0.247 11.369 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -7.640 1.025 13.751 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.003 0.487 12.790 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.940 -0.632 15.317 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.546 -0.781 14.632 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.369 -2.713 14.491 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.002 -2.896 13.881 1.00 10.00 H new ATOM 1311 N ILE B 362 -4.910 0.100 12.020 1.00 10.00 N ATOM 1312 CA ILE B 362 -3.477 0.265 12.252 1.00 10.00 C ATOM 1313 C ILE B 362 -3.083 1.737 12.279 1.00 10.00 C ATOM 1314 O ILE B 362 -3.520 2.517 11.439 1.00 10.00 O ATOM 1315 CB ILE B 362 -2.671 -0.457 11.144 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -3.187 -1.890 10.959 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -1.183 -0.456 11.457 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -2.960 -2.436 9.567 1.00 10.00 C ATOM 0 H ILE B 362 -5.223 0.468 11.122 1.00 10.00 H new ATOM 0 HA ILE B 362 -3.248 -0.174 13.223 1.00 10.00 H new ATOM 0 HB ILE B 362 -2.813 0.088 10.211 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -2.695 -2.541 11.681 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -4.254 -1.916 11.182 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -0.643 -0.970 10.661 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -0.828 0.572 11.531 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -1.010 -0.969 12.403 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -3.349 -3.453 9.507 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -3.475 -1.807 8.841 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -1.892 -2.443 9.348 1.00 10.00 H new ATOM 1330 N VAL B 363 -2.267 2.119 13.248 1.00 10.00 N ATOM 1331 CA VAL B 363 -1.834 3.503 13.368 1.00 10.00 C ATOM 1332 C VAL B 363 -0.337 3.599 13.124 1.00 10.00 C ATOM 1333 O VAL B 363 0.454 2.855 13.705 1.00 10.00 O ATOM 1334 CB VAL B 363 -2.140 4.073 14.768 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -1.744 5.539 14.867 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -3.606 3.888 15.122 1.00 10.00 C ATOM 0 H VAL B 363 -1.892 1.493 13.961 1.00 10.00 H new ATOM 0 HA VAL B 363 -2.381 4.083 12.625 1.00 10.00 H new ATOM 0 HB VAL B 363 -1.542 3.515 15.489 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -1.972 5.911 15.866 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -0.675 5.641 14.678 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -2.300 6.117 14.129 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -3.795 4.298 16.114 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -4.225 4.407 14.390 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -3.850 2.826 15.116 1.00 10.00 H new ATOM 1346 N ILE B 364 0.031 4.513 12.249 1.00 10.00 N ATOM 1347 CA ILE B 364 1.425 4.730 11.901 1.00 10.00 C ATOM 1348 C ILE B 364 1.835 6.148 12.258 1.00 10.00 C ATOM 1349 O ILE B 364 1.110 7.104 11.986 1.00 10.00 O ATOM 1350 CB ILE B 364 1.721 4.476 10.405 1.00 10.00 C ATOM 1351 CG1 ILE B 364 1.385 3.035 10.024 1.00 10.00 C ATOM 1352 CG2 ILE B 364 3.185 4.764 10.099 1.00 10.00 C ATOM 1353 CD1 ILE B 364 1.574 2.736 8.551 1.00 10.00 C ATOM 0 H ILE B 364 -0.622 5.125 11.760 1.00 10.00 H new ATOM 0 HA ILE B 364 2.005 4.008 12.475 1.00 10.00 H new ATOM 0 HB ILE B 364 1.095 5.147 9.816 1.00 10.00 H new ATOM 0 HG12 ILE B 364 2.011 2.359 10.606 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.351 2.827 10.298 1.00 10.00 H new ATOM 0 HG21 ILE B 364 3.379 4.581 9.042 1.00 10.00 H new ATOM 0 HG22 ILE B 364 3.408 5.805 10.334 1.00 10.00 H new ATOM 0 HG23 ILE B 364 3.818 4.113 10.702 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.317 1.695 8.355 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.928 3.387 7.962 1.00 10.00 H new ATOM 0 HD13 ILE B 364 2.614 2.911 8.275 1.00 10.00 H new ATOM 1365 N SER B 365 2.993 6.266 12.881 1.00 10.00 N ATOM 1366 CA SER B 365 3.520 7.553 13.286 1.00 10.00 C ATOM 1367 C SER B 365 4.805 7.817 12.523 1.00 10.00 C ATOM 1368 O SER B 365 5.665 6.944 12.419 1.00 10.00 O ATOM 1369 CB SER B 365 3.773 7.562 14.794 1.00 10.00 C ATOM 1370 OG SER B 365 2.728 6.902 15.489 1.00 10.00 O ATOM 0 H SER B 365 3.591 5.475 13.119 1.00 10.00 H new ATOM 0 HA SER B 365 2.800 8.340 13.060 1.00 10.00 H new ATOM 0 HB2 SER B 365 4.723 7.073 15.010 1.00 10.00 H new ATOM 0 HB3 SER B 365 3.856 8.590 15.146 1.00 10.00 H new ATOM 0 HG SER B 365 2.913 6.919 16.451 1.00 10.00 H new ATOM 1376 N ASP B 366 4.915 9.004 11.959 1.00 10.00 N ATOM 1377 CA ASP B 366 6.083 9.369 11.182 1.00 10.00 C ATOM 1378 C ASP B 366 6.818 10.542 11.820 1.00 10.00 C ATOM 1379 O ASP B 366 6.204 11.529 12.224 1.00 10.00 O ATOM 1380 CB ASP B 366 5.660 9.712 9.758 1.00 10.00 C ATOM 1381 CG ASP B 366 6.835 10.084 8.882 1.00 10.00 C ATOM 1382 OD1 ASP B 366 6.868 11.223 8.372 1.00 10.00 O ATOM 1383 OD2 ASP B 366 7.727 9.233 8.698 1.00 10.00 O ATOM 0 H ASP B 366 4.206 9.735 12.025 1.00 10.00 H new ATOM 0 HA ASP B 366 6.768 8.522 11.159 1.00 10.00 H new ATOM 0 HB2 ASP B 366 5.140 8.860 9.321 1.00 10.00 H new ATOM 0 HB3 ASP B 366 4.951 10.540 9.782 1.00 10.00 H new ATOM 1388 N SER B 367 8.124 10.393 11.955 1.00 10.00 N ATOM 1389 CA SER B 367 8.966 11.419 12.544 1.00 10.00 C ATOM 1390 C SER B 367 9.646 12.249 11.452 1.00 10.00 C ATOM 1391 O SER B 367 9.948 11.730 10.374 1.00 10.00 O ATOM 1392 CB SER B 367 10.025 10.754 13.426 1.00 10.00 C ATOM 1393 OG SER B 367 9.705 9.390 13.665 1.00 10.00 O ATOM 0 H SER B 367 8.630 9.558 11.660 1.00 10.00 H new ATOM 0 HA SER B 367 8.348 12.084 13.147 1.00 10.00 H new ATOM 0 HB2 SER B 367 11.000 10.823 12.944 1.00 10.00 H new ATOM 0 HB3 SER B 367 10.099 11.286 14.375 1.00 10.00 H new ATOM 0 HG SER B 367 10.397 8.986 14.229 1.00 10.00 H new ATOM 1399 N PRO B 368 9.897 13.544 11.714 1.00 10.00 N ATOM 1400 CA PRO B 368 10.543 14.432 10.747 1.00 10.00 C ATOM 1401 C PRO B 368 11.973 14.001 10.439 1.00 10.00 C ATOM 1402 O PRO B 368 12.752 13.783 11.395 1.00 10.00 O ATOM 1403 CB PRO B 368 10.529 15.803 11.436 1.00 10.00 C ATOM 1404 CG PRO B 368 10.378 15.508 12.887 1.00 10.00 C ATOM 1405 CD PRO B 368 9.580 14.238 12.976 1.00 10.00 C ATOM 0 HA PRO B 368 10.028 14.428 9.787 1.00 10.00 H new ATOM 0 HB2 PRO B 368 11.450 16.352 11.239 1.00 10.00 H new ATOM 0 HB3 PRO B 368 9.707 16.419 11.072 1.00 10.00 H new ATOM 0 HG2 PRO B 368 11.351 15.390 13.364 1.00 10.00 H new ATOM 0 HG3 PRO B 368 9.869 16.324 13.399 1.00 10.00 H new ATOM 0 HD2 PRO B 368 9.866 13.644 13.844 1.00 10.00 H new ATOM 0 HD3 PRO B 368 8.513 14.440 13.066 1.00 10.00 H new TER 1413 PRO B 368