USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=-0.41) USER MOD Set 1.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 19:sc= 0.511 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.11 F(o=-0.68,f=-0.11) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 84:sc= 1.05 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -53:sc= 0.572 USER MOD Single : A 21 LYS NZ :NH3+ -121:sc= -1.93 (180deg=-3.92!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0942 K(o=-0.094,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00843 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.897 F(o=-2.6,f=-0.9) USER MOD Single : A 34 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.087) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0874 X(o=-0.087,f=-0.0086) USER MOD Single : A 49 SER OG : rot 39:sc= 0.674 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00358) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 58:sc= 0.874 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= -0.0761 X(o=-0.076,f=0) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -9.341 -10.030 7.948 1.00 3.22 N ATOM 2 CA THR A 5 -8.403 -8.980 7.571 1.00 20.00 C ATOM 3 C THR A 5 -7.616 -9.373 6.325 1.00 5.32 C ATOM 4 O THR A 5 -7.401 -8.556 5.430 1.00 23.30 O ATOM 5 CB THR A 5 -7.442 -8.688 8.724 1.00 53.30 C ATOM 6 OG1 THR A 5 -8.100 -8.821 9.971 1.00 62.40 O ATOM 7 CG2 THR A 5 -6.843 -7.299 8.667 1.00 14.30 C ATOM 0 HA THR A 5 -8.976 -8.080 7.347 1.00 20.00 H new ATOM 0 HB THR A 5 -6.638 -9.417 8.622 1.00 53.30 H new ATOM 0 HG1 THR A 5 -8.917 -9.349 9.855 1.00 62.40 H new ATOM 0 HG21 THR A 5 -6.171 -7.158 9.514 1.00 14.30 H new ATOM 0 HG22 THR A 5 -6.286 -7.181 7.738 1.00 14.30 H new ATOM 0 HG23 THR A 5 -7.640 -6.557 8.709 1.00 14.30 H new ATOM 15 N LEU A 6 -7.188 -10.630 6.275 1.00 13.20 N ATOM 16 CA LEU A 6 -6.424 -11.130 5.138 1.00 3.03 C ATOM 17 C LEU A 6 -7.265 -11.110 3.866 1.00 64.10 C ATOM 18 O LEU A 6 -6.813 -10.640 2.819 1.00 30.10 O ATOM 19 CB LEU A 6 -5.933 -12.550 5.416 1.00 11.10 C ATOM 20 CG LEU A 6 -4.599 -12.640 6.158 1.00 22.30 C ATOM 21 CD1 LEU A 6 -3.488 -12.000 5.340 1.00 60.50 C ATOM 22 CD2 LEU A 6 -4.705 -11.980 7.525 1.00 70.10 C ATOM 0 H LEU A 6 -7.357 -11.320 7.007 1.00 13.20 H new ATOM 0 HA LEU A 6 -5.564 -10.476 4.993 1.00 3.03 H new ATOM 0 HB2 LEU A 6 -6.691 -13.073 5.999 1.00 11.10 H new ATOM 0 HB3 LEU A 6 -5.840 -13.078 4.467 1.00 11.10 H new ATOM 0 HG LEU A 6 -4.355 -13.693 6.302 1.00 22.30 H new ATOM 0 HD11 LEU A 6 -2.547 -12.074 5.884 1.00 60.50 H new ATOM 0 HD12 LEU A 6 -3.396 -12.516 4.384 1.00 60.50 H new ATOM 0 HD13 LEU A 6 -3.724 -10.951 5.164 1.00 60.50 H new ATOM 0 HD21 LEU A 6 -3.747 -12.053 8.040 1.00 70.10 H new ATOM 0 HD22 LEU A 6 -4.972 -10.930 7.403 1.00 70.10 H new ATOM 0 HD23 LEU A 6 -5.472 -12.483 8.113 1.00 70.10 H new ATOM 34 N GLN A 7 -8.490 -11.610 3.964 1.00 3.12 N ATOM 35 CA GLN A 7 -9.394 -11.650 2.820 1.00 53.30 C ATOM 36 C GLN A 7 -9.677 -10.250 2.302 1.00 44.20 C ATOM 37 O GLN A 7 -9.603 -9.996 1.100 1.00 71.10 O ATOM 38 CB GLN A 7 -10.700 -12.340 3.204 1.00 14.30 C ATOM 39 CG GLN A 7 -11.620 -12.600 2.022 1.00 24.40 C ATOM 40 CD GLN A 7 -11.130 -13.730 1.136 1.00 73.40 C ATOM 41 OE1 GLN A 7 -10.160 -13.430 0.280 1.00 25.20 O flip ATOM 42 NE2 GLN A 7 -11.620 -14.850 1.220 1.00 53.50 N flip ATOM 0 H GLN A 7 -8.881 -11.994 4.824 1.00 3.12 H new ATOM 0 HA GLN A 7 -8.911 -12.218 2.025 1.00 53.30 H new ATOM 0 HB2 GLN A 7 -10.471 -13.288 3.691 1.00 14.30 H new ATOM 0 HB3 GLN A 7 -11.225 -11.725 3.934 1.00 14.30 H new ATOM 0 HG2 GLN A 7 -12.618 -12.839 2.389 1.00 24.40 H new ATOM 0 HG3 GLN A 7 -11.708 -11.690 1.428 1.00 24.40 H new ATOM 0 HE21 GLN A 7 -12.364 -15.032 1.894 1.00 53.50 H new ATOM 0 HE22 GLN A 7 -11.284 -15.600 0.616 1.00 53.50 H new ATOM 51 N LYS A 8 -10.000 -9.343 3.216 1.00 45.30 N ATOM 52 CA LYS A 8 -10.290 -7.962 2.851 1.00 25.30 C ATOM 53 C LYS A 8 -9.074 -7.294 2.223 1.00 73.30 C ATOM 54 O LYS A 8 -9.205 -6.427 1.360 1.00 74.10 O ATOM 55 CB LYS A 8 -10.740 -7.172 4.081 1.00 32.20 C ATOM 56 CG LYS A 8 -12.230 -7.292 4.369 1.00 62.30 C ATOM 57 CD LYS A 8 -12.700 -6.213 5.332 1.00 42.30 C ATOM 58 CE LYS A 8 -14.100 -5.732 4.989 1.00 63.10 C ATOM 59 NZ LYS A 8 -14.900 -5.439 6.209 1.00 43.00 N ATOM 0 H LYS A 8 -10.068 -9.539 4.215 1.00 45.30 H new ATOM 0 HA LYS A 8 -11.095 -7.971 2.116 1.00 25.30 H new ATOM 0 HB2 LYS A 8 -10.181 -7.519 4.950 1.00 32.20 H new ATOM 0 HB3 LYS A 8 -10.489 -6.121 3.939 1.00 32.20 H new ATOM 0 HG2 LYS A 8 -12.789 -7.217 3.436 1.00 62.30 H new ATOM 0 HG3 LYS A 8 -12.442 -8.275 4.790 1.00 62.30 H new ATOM 0 HD2 LYS A 8 -12.687 -6.602 6.350 1.00 42.30 H new ATOM 0 HD3 LYS A 8 -12.008 -5.372 5.303 1.00 42.30 H new ATOM 0 HE2 LYS A 8 -14.035 -4.835 4.373 1.00 63.10 H new ATOM 0 HE3 LYS A 8 -14.609 -6.491 4.394 1.00 63.10 H new ATOM 0 HZ1 LYS A 8 -15.848 -5.114 5.932 1.00 43.00 H new ATOM 0 HZ2 LYS A 8 -14.984 -6.301 6.785 1.00 43.00 H new ATOM 0 HZ3 LYS A 8 -14.428 -4.697 6.764 1.00 43.00 H new ATOM 73 N ALA A 9 -7.889 -7.705 2.662 1.00 62.40 N ATOM 74 CA ALA A 9 -6.647 -7.147 2.142 1.00 1.24 C ATOM 75 C ALA A 9 -6.461 -7.498 0.670 1.00 25.00 C ATOM 76 O ALA A 9 -6.217 -6.623 -0.161 1.00 65.30 O ATOM 77 CB ALA A 9 -5.463 -7.644 2.959 1.00 11.10 C ATOM 0 H ALA A 9 -7.763 -8.422 3.376 1.00 62.40 H new ATOM 0 HA ALA A 9 -6.702 -6.062 2.225 1.00 1.24 H new ATOM 0 HB1 ALA A 9 -4.542 -7.220 2.560 1.00 11.10 H new ATOM 0 HB2 ALA A 9 -5.583 -7.337 3.998 1.00 11.10 H new ATOM 0 HB3 ALA A 9 -5.415 -8.732 2.905 1.00 11.10 H new ATOM 83 N ILE A 10 -6.579 -8.784 0.354 1.00 13.20 N ATOM 84 CA ILE A 10 -6.424 -9.250 -1.018 1.00 55.10 C ATOM 85 C ILE A 10 -7.492 -8.649 -1.925 1.00 60.20 C ATOM 86 O ILE A 10 -7.218 -8.289 -3.070 1.00 31.20 O ATOM 87 CB ILE A 10 -6.500 -10.780 -1.103 1.00 61.40 C ATOM 88 CG1 ILE A 10 -5.548 -11.420 -0.089 1.00 14.10 C ATOM 89 CG2 ILE A 10 -6.175 -11.250 -2.513 1.00 12.20 C ATOM 90 CD1 ILE A 10 -6.143 -12.610 0.629 1.00 61.40 C ATOM 0 H ILE A 10 -6.781 -9.521 1.030 1.00 13.20 H new ATOM 0 HA ILE A 10 -5.439 -8.924 -1.353 1.00 55.10 H new ATOM 0 HB ILE A 10 -7.517 -11.091 -0.863 1.00 61.40 H new ATOM 0 HG12 ILE A 10 -4.639 -11.733 -0.603 1.00 14.10 H new ATOM 0 HG13 ILE A 10 -5.256 -10.671 0.647 1.00 14.10 H new ATOM 0 HG21 ILE A 10 -6.233 -12.338 -2.556 1.00 12.20 H new ATOM 0 HG22 ILE A 10 -6.891 -10.820 -3.214 1.00 12.20 H new ATOM 0 HG23 ILE A 10 -5.168 -10.930 -2.780 1.00 12.20 H new ATOM 0 HD11 ILE A 10 -5.414 -13.013 1.332 1.00 61.40 H new ATOM 0 HD12 ILE A 10 -7.036 -12.299 1.171 1.00 61.40 H new ATOM 0 HD13 ILE A 10 -6.409 -13.378 -0.098 1.00 61.40 H new ATOM 102 N ASP A 11 -8.711 -8.541 -1.405 1.00 40.00 N ATOM 103 CA ASP A 11 -9.821 -7.983 -2.168 1.00 1.51 C ATOM 104 C ASP A 11 -9.520 -6.550 -2.596 1.00 61.10 C ATOM 105 O ASP A 11 -9.763 -6.170 -3.742 1.00 24.00 O ATOM 106 CB ASP A 11 -11.100 -8.020 -1.339 1.00 42.30 C ATOM 107 CG ASP A 11 -11.810 -9.361 -1.424 1.00 41.10 C ATOM 108 OD1 ASP A 11 -11.700 -10.020 -2.480 1.00 22.30 O ATOM 109 OD2 ASP A 11 -12.460 -9.751 -0.435 1.00 3.10 O ATOM 0 H ASP A 11 -8.954 -8.833 -0.458 1.00 40.00 H new ATOM 0 HA ASP A 11 -9.957 -8.589 -3.064 1.00 1.51 H new ATOM 0 HB2 ASP A 11 -10.861 -7.805 -0.298 1.00 42.30 H new ATOM 0 HB3 ASP A 11 -11.773 -7.234 -1.680 1.00 42.30 H new ATOM 114 N LEU A 12 -8.990 -5.760 -1.669 1.00 14.30 N ATOM 115 CA LEU A 12 -8.655 -4.369 -1.950 1.00 12.40 C ATOM 116 C LEU A 12 -7.518 -4.278 -2.963 1.00 52.20 C ATOM 117 O LEU A 12 -7.530 -3.424 -3.850 1.00 73.10 O ATOM 118 CB LEU A 12 -8.264 -3.645 -0.661 1.00 4.44 C ATOM 119 CG LEU A 12 -9.432 -3.272 0.253 1.00 34.00 C ATOM 120 CD1 LEU A 12 -8.975 -3.197 1.701 1.00 72.40 C ATOM 121 CD2 LEU A 12 -10.040 -1.950 -0.183 1.00 74.00 C ATOM 0 H LEU A 12 -8.783 -6.059 -0.716 1.00 14.30 H new ATOM 0 HA LEU A 12 -9.536 -3.888 -2.375 1.00 12.40 H new ATOM 0 HB2 LEU A 12 -7.573 -4.277 -0.103 1.00 4.44 H new ATOM 0 HB3 LEU A 12 -7.723 -2.736 -0.923 1.00 4.44 H new ATOM 0 HG LEU A 12 -10.194 -4.047 0.175 1.00 34.00 H new ATOM 0 HD11 LEU A 12 -9.820 -2.930 2.336 1.00 72.40 H new ATOM 0 HD12 LEU A 12 -8.581 -4.166 2.009 1.00 72.40 H new ATOM 0 HD13 LEU A 12 -8.196 -2.441 1.798 1.00 72.40 H new ATOM 0 HD21 LEU A 12 -10.870 -1.696 0.476 1.00 74.00 H new ATOM 0 HD22 LEU A 12 -9.283 -1.167 -0.131 1.00 74.00 H new ATOM 0 HD23 LEU A 12 -10.403 -2.037 -1.207 1.00 74.00 H new ATOM 133 N VAL A 13 -6.538 -5.165 -2.825 1.00 53.20 N ATOM 134 CA VAL A 13 -5.394 -5.185 -3.729 1.00 54.10 C ATOM 135 C VAL A 13 -5.819 -5.564 -5.143 1.00 44.20 C ATOM 136 O VAL A 13 -5.313 -5.017 -6.122 1.00 21.10 O ATOM 137 CB VAL A 13 -4.313 -6.172 -3.247 1.00 42.10 C ATOM 138 CG1 VAL A 13 -3.069 -6.072 -4.118 1.00 32.30 C ATOM 139 CG2 VAL A 13 -3.970 -5.920 -1.786 1.00 71.40 C ATOM 0 H VAL A 13 -6.513 -5.879 -2.097 1.00 53.20 H new ATOM 0 HA VAL A 13 -4.978 -4.178 -3.735 1.00 54.10 H new ATOM 0 HB VAL A 13 -4.709 -7.184 -3.334 1.00 42.10 H new ATOM 0 HG11 VAL A 13 -2.318 -6.777 -3.762 1.00 32.30 H new ATOM 0 HG12 VAL A 13 -3.328 -6.309 -5.150 1.00 32.30 H new ATOM 0 HG13 VAL A 13 -2.670 -5.059 -4.067 1.00 32.30 H new ATOM 0 HG21 VAL A 13 -3.205 -6.627 -1.465 1.00 71.40 H new ATOM 0 HG22 VAL A 13 -3.596 -4.903 -1.670 1.00 71.40 H new ATOM 0 HG23 VAL A 13 -4.863 -6.049 -1.175 1.00 71.40 H new ATOM 149 N THR A 14 -6.753 -6.506 -5.242 1.00 30.50 N ATOM 150 CA THR A 14 -7.248 -6.960 -6.538 1.00 31.20 C ATOM 151 C THR A 14 -7.807 -5.794 -7.348 1.00 72.00 C ATOM 152 O THR A 14 -7.417 -5.579 -8.496 1.00 54.00 O ATOM 153 CB THR A 14 -8.327 -8.027 -6.349 1.00 10.20 C ATOM 154 OG1 THR A 14 -7.938 -8.963 -5.359 1.00 51.00 O ATOM 155 CG2 THR A 14 -8.634 -8.798 -7.614 1.00 2.13 C ATOM 0 H THR A 14 -7.182 -6.969 -4.441 1.00 30.50 H new ATOM 0 HA THR A 14 -6.411 -7.391 -7.087 1.00 31.20 H new ATOM 0 HB THR A 14 -9.222 -7.483 -6.048 1.00 10.20 H new ATOM 0 HG1 THR A 14 -8.165 -8.614 -4.472 1.00 51.00 H new ATOM 0 HG21 THR A 14 -9.407 -9.539 -7.410 1.00 2.13 H new ATOM 0 HG22 THR A 14 -8.984 -8.110 -8.383 1.00 2.13 H new ATOM 0 HG23 THR A 14 -7.732 -9.302 -7.961 1.00 2.13 H new ATOM 163 N LYS A 15 -8.722 -5.044 -6.742 1.00 45.40 N ATOM 164 CA LYS A 15 -9.334 -3.899 -7.407 1.00 52.30 C ATOM 165 C LYS A 15 -8.289 -2.838 -7.740 1.00 21.30 C ATOM 166 O LYS A 15 -8.454 -2.068 -8.686 1.00 3.04 O ATOM 167 CB LYS A 15 -10.420 -3.296 -6.524 1.00 12.40 C ATOM 168 CG LYS A 15 -11.610 -4.222 -6.306 1.00 33.40 C ATOM 169 CD LYS A 15 -12.910 -3.445 -6.219 1.00 53.20 C ATOM 170 CE LYS A 15 -14.100 -4.307 -6.613 1.00 11.10 C ATOM 171 NZ LYS A 15 -14.800 -4.862 -5.424 1.00 64.40 N ATOM 0 H LYS A 15 -9.056 -5.208 -5.792 1.00 45.40 H new ATOM 0 HA LYS A 15 -9.781 -4.248 -8.338 1.00 52.30 H new ATOM 0 HB2 LYS A 15 -9.989 -3.038 -5.557 1.00 12.40 H new ATOM 0 HB3 LYS A 15 -10.770 -2.368 -6.975 1.00 12.40 H new ATOM 0 HG2 LYS A 15 -11.668 -4.940 -7.124 1.00 33.40 H new ATOM 0 HG3 LYS A 15 -11.464 -4.794 -5.389 1.00 33.40 H new ATOM 0 HD2 LYS A 15 -13.047 -3.075 -5.203 1.00 53.20 H new ATOM 0 HD3 LYS A 15 -12.859 -2.573 -6.871 1.00 53.20 H new ATOM 0 HE2 LYS A 15 -14.799 -3.713 -7.202 1.00 11.10 H new ATOM 0 HE3 LYS A 15 -13.761 -5.125 -7.249 1.00 11.10 H new ATOM 0 HZ1 LYS A 15 -15.604 -5.443 -5.735 1.00 64.40 H new ATOM 0 HZ2 LYS A 15 -14.140 -5.449 -4.875 1.00 64.40 H new ATOM 0 HZ3 LYS A 15 -15.146 -4.082 -4.829 1.00 64.40 H new ATOM 185 N ALA A 16 -7.216 -2.802 -6.957 1.00 43.20 N ATOM 186 CA ALA A 16 -6.147 -1.834 -7.170 1.00 62.20 C ATOM 187 C ALA A 16 -5.273 -2.234 -8.354 1.00 64.10 C ATOM 188 O ALA A 16 -4.826 -1.384 -9.124 1.00 44.20 O ATOM 189 CB ALA A 16 -5.303 -1.694 -5.913 1.00 35.30 C ATOM 0 H ALA A 16 -7.064 -3.432 -6.169 1.00 43.20 H new ATOM 0 HA ALA A 16 -6.603 -0.870 -7.397 1.00 62.20 H new ATOM 0 HB1 ALA A 16 -4.509 -0.968 -6.087 1.00 35.30 H new ATOM 0 HB2 ALA A 16 -5.931 -1.355 -5.089 1.00 35.30 H new ATOM 0 HB3 ALA A 16 -4.863 -2.659 -5.661 1.00 35.30 H new ATOM 195 N THR A 17 -5.035 -3.534 -8.493 1.00 14.20 N ATOM 196 CA THR A 17 -4.215 -4.048 -9.584 1.00 0.52 C ATOM 197 C THR A 17 -4.825 -3.689 -10.930 1.00 52.40 C ATOM 198 O THR A 17 -4.117 -3.291 -11.860 1.00 25.30 O ATOM 199 CB THR A 17 -4.060 -5.568 -9.466 1.00 32.40 C ATOM 200 OG1 THR A 17 -4.686 -6.049 -8.289 1.00 42.00 O ATOM 201 CG2 THR A 17 -2.616 -6.019 -9.433 1.00 52.10 C ATOM 0 H THR A 17 -5.398 -4.250 -7.864 1.00 14.20 H new ATOM 0 HA THR A 17 -3.230 -3.587 -9.515 1.00 0.52 H new ATOM 0 HB THR A 17 -4.534 -5.976 -10.359 1.00 32.40 H new ATOM 0 HG1 THR A 17 -4.356 -5.547 -7.515 1.00 42.00 H new ATOM 0 HG21 THR A 17 -2.576 -7.105 -9.349 1.00 52.10 H new ATOM 0 HG22 THR A 17 -2.117 -5.708 -10.350 1.00 52.10 H new ATOM 0 HG23 THR A 17 -2.114 -5.570 -8.576 1.00 52.10 H new ATOM 209 N GLU A 18 -6.142 -3.832 -11.040 1.00 1.10 N ATOM 210 CA GLU A 18 -6.847 -3.522 -12.280 1.00 2.42 C ATOM 211 C GLU A 18 -6.806 -2.025 -12.560 1.00 60.20 C ATOM 212 O GLU A 18 -6.616 -1.607 -13.710 1.00 51.30 O ATOM 213 CB GLU A 18 -8.300 -3.996 -12.190 1.00 21.30 C ATOM 214 CG GLU A 18 -8.457 -5.373 -11.570 1.00 44.10 C ATOM 215 CD GLU A 18 -9.789 -6.016 -11.900 1.00 33.00 C ATOM 216 OE1 GLU A 18 -10.830 -5.481 -11.470 1.00 55.40 O ATOM 217 OE2 GLU A 18 -9.790 -7.053 -12.600 1.00 4.34 O ATOM 0 H GLU A 18 -6.744 -4.161 -10.285 1.00 1.10 H new ATOM 0 HA GLU A 18 -6.351 -4.043 -13.099 1.00 2.42 H new ATOM 0 HB2 GLU A 18 -8.872 -3.276 -11.604 1.00 21.30 H new ATOM 0 HB3 GLU A 18 -8.732 -4.007 -13.191 1.00 21.30 H new ATOM 0 HG2 GLU A 18 -7.651 -6.018 -11.919 1.00 44.10 H new ATOM 0 HG3 GLU A 18 -8.355 -5.293 -10.488 1.00 44.10 H new ATOM 224 N GLU A 19 -6.984 -1.222 -11.520 1.00 0.31 N ATOM 225 CA GLU A 19 -6.968 0.230 -11.660 1.00 22.10 C ATOM 226 C GLU A 19 -5.637 0.707 -12.230 1.00 33.50 C ATOM 227 O GLU A 19 -5.602 1.414 -13.240 1.00 24.20 O ATOM 228 CB GLU A 19 -7.221 0.896 -10.310 1.00 60.30 C ATOM 229 CG GLU A 19 -8.688 1.182 -10.030 1.00 40.30 C ATOM 230 CD GLU A 19 -9.560 -0.050 -10.180 1.00 24.20 C ATOM 231 OE1 GLU A 19 -9.554 -0.655 -11.270 1.00 14.30 O ATOM 232 OE2 GLU A 19 -10.240 -0.411 -9.206 1.00 23.20 O ATOM 0 H GLU A 19 -7.142 -1.551 -10.568 1.00 0.31 H new ATOM 0 HA GLU A 19 -7.762 0.511 -12.352 1.00 22.10 H new ATOM 0 HB2 GLU A 19 -6.829 0.255 -9.520 1.00 60.30 H new ATOM 0 HB3 GLU A 19 -6.664 1.832 -10.267 1.00 60.30 H new ATOM 0 HG2 GLU A 19 -8.791 1.575 -9.019 1.00 40.30 H new ATOM 0 HG3 GLU A 19 -9.040 1.957 -10.711 1.00 40.30 H new ATOM 239 N ASP A 20 -4.544 0.313 -11.590 1.00 2.31 N ATOM 240 CA ASP A 20 -3.210 0.700 -12.040 1.00 23.40 C ATOM 241 C ASP A 20 -2.964 0.246 -13.470 1.00 41.50 C ATOM 242 O ASP A 20 -2.212 0.879 -14.210 1.00 54.50 O ATOM 243 CB ASP A 20 -2.147 0.105 -11.110 1.00 1.35 C ATOM 244 CG ASP A 20 -0.790 0.755 -11.300 1.00 20.30 C ATOM 245 OD1 ASP A 20 -0.639 1.935 -10.910 1.00 51.10 O ATOM 246 OD2 ASP A 20 0.123 0.084 -11.820 1.00 22.50 O ATOM 0 H ASP A 20 -4.553 -0.275 -10.757 1.00 2.31 H new ATOM 0 HA ASP A 20 -3.143 1.788 -12.011 1.00 23.40 H new ATOM 0 HB2 ASP A 20 -2.464 0.226 -10.074 1.00 1.35 H new ATOM 0 HB3 ASP A 20 -2.064 -0.966 -11.295 1.00 1.35 H new ATOM 251 N LYS A 21 -3.601 -0.855 -13.860 1.00 23.30 N ATOM 252 CA LYS A 21 -3.452 -1.394 -15.200 1.00 13.30 C ATOM 253 C LYS A 21 -4.392 -0.694 -16.180 1.00 35.20 C ATOM 254 O LYS A 21 -4.128 -0.647 -17.380 1.00 3.11 O ATOM 255 CB LYS A 21 -3.725 -2.899 -15.200 1.00 23.20 C ATOM 256 CG LYS A 21 -2.488 -3.742 -14.940 1.00 20.10 C ATOM 257 CD LYS A 21 -2.840 -5.048 -14.250 1.00 10.20 C ATOM 258 CE LYS A 21 -1.594 -5.796 -13.800 1.00 44.30 C ATOM 259 NZ LYS A 21 -1.790 -6.473 -12.490 1.00 43.10 N ATOM 0 H LYS A 21 -4.228 -1.391 -13.260 1.00 23.30 H new ATOM 0 HA LYS A 21 -2.426 -1.217 -15.522 1.00 13.30 H new ATOM 0 HB2 LYS A 21 -4.474 -3.124 -14.441 1.00 23.20 H new ATOM 0 HB3 LYS A 21 -4.152 -3.182 -16.162 1.00 23.20 H new ATOM 0 HG2 LYS A 21 -1.985 -3.952 -15.884 1.00 20.10 H new ATOM 0 HG3 LYS A 21 -1.787 -3.180 -14.323 1.00 20.10 H new ATOM 0 HD2 LYS A 21 -3.475 -4.845 -13.388 1.00 10.20 H new ATOM 0 HD3 LYS A 21 -3.417 -5.676 -14.930 1.00 10.20 H new ATOM 0 HE2 LYS A 21 -1.324 -6.536 -14.553 1.00 44.30 H new ATOM 0 HE3 LYS A 21 -0.760 -5.098 -13.726 1.00 44.30 H new ATOM 0 HZ1 LYS A 21 -1.092 -6.116 -11.807 1.00 43.10 H new ATOM 0 HZ2 LYS A 21 -2.749 -6.278 -12.139 1.00 43.10 H new ATOM 0 HZ3 LYS A 21 -1.666 -7.499 -12.607 1.00 43.10 H new ATOM 273 N ALA A 22 -5.490 -0.153 -15.660 1.00 30.50 N ATOM 274 CA ALA A 22 -6.466 0.542 -16.490 1.00 41.20 C ATOM 275 C ALA A 22 -6.237 2.050 -16.470 1.00 30.40 C ATOM 276 O ALA A 22 -7.175 2.831 -16.630 1.00 71.40 O ATOM 277 CB ALA A 22 -7.878 0.214 -16.030 1.00 54.20 C ATOM 0 H ALA A 22 -5.725 -0.183 -14.668 1.00 30.50 H new ATOM 0 HA ALA A 22 -6.340 0.198 -17.517 1.00 41.20 H new ATOM 0 HB1 ALA A 22 -8.597 0.740 -16.659 1.00 54.20 H new ATOM 0 HB2 ALA A 22 -8.046 -0.860 -16.108 1.00 54.20 H new ATOM 0 HB3 ALA A 22 -8.005 0.527 -14.994 1.00 54.20 H new ATOM 283 N LYS A 23 -4.986 2.454 -16.270 1.00 24.10 N ATOM 284 CA LYS A 23 -4.636 3.869 -16.230 1.00 44.50 C ATOM 285 C LYS A 23 -5.405 4.592 -15.130 1.00 24.20 C ATOM 286 O LYS A 23 -5.826 5.736 -15.300 1.00 12.10 O ATOM 287 CB LYS A 23 -4.924 4.524 -17.580 1.00 32.00 C ATOM 288 CG LYS A 23 -4.369 3.748 -18.770 1.00 70.10 C ATOM 289 CD LYS A 23 -5.235 3.923 -20.000 1.00 71.40 C ATOM 290 CE LYS A 23 -4.739 3.067 -21.160 1.00 20.10 C ATOM 291 NZ LYS A 23 -3.884 3.842 -22.100 1.00 42.00 N ATOM 0 H LYS A 23 -4.198 1.821 -16.133 1.00 24.10 H new ATOM 0 HA LYS A 23 -3.570 3.946 -16.014 1.00 44.50 H new ATOM 0 HB2 LYS A 23 -6.002 4.631 -17.699 1.00 32.00 H new ATOM 0 HB3 LYS A 23 -4.501 5.529 -17.584 1.00 32.00 H new ATOM 0 HG2 LYS A 23 -3.356 4.087 -18.986 1.00 70.10 H new ATOM 0 HG3 LYS A 23 -4.304 2.690 -18.517 1.00 70.10 H new ATOM 0 HD2 LYS A 23 -6.264 3.654 -19.763 1.00 71.40 H new ATOM 0 HD3 LYS A 23 -5.240 4.972 -20.297 1.00 71.40 H new ATOM 0 HE2 LYS A 23 -4.174 2.221 -20.770 1.00 20.10 H new ATOM 0 HE3 LYS A 23 -5.593 2.658 -21.700 1.00 20.10 H new ATOM 0 HZ1 LYS A 23 -3.568 3.222 -22.873 1.00 42.00 H new ATOM 0 HZ2 LYS A 23 -4.430 4.635 -22.493 1.00 42.00 H new ATOM 0 HZ3 LYS A 23 -3.055 4.211 -21.592 1.00 42.00 H new ATOM 305 N ASN A 24 -5.584 3.918 -14.000 1.00 60.20 N ATOM 306 CA ASN A 24 -6.301 4.498 -12.870 1.00 5.30 C ATOM 307 C ASN A 24 -5.416 4.542 -11.630 1.00 31.30 C ATOM 308 O ASN A 24 -5.550 3.713 -10.730 1.00 41.10 O ATOM 309 CB ASN A 24 -7.571 3.696 -12.580 1.00 52.10 C ATOM 310 CG ASN A 24 -8.776 4.228 -13.330 1.00 44.20 C ATOM 311 OD1 ASN A 24 -8.639 4.993 -14.280 1.00 34.10 O ATOM 312 ND2 ASN A 24 -9.966 3.824 -12.900 1.00 5.14 N ATOM 0 H ASN A 24 -5.243 2.970 -13.842 1.00 60.20 H new ATOM 0 HA ASN A 24 -6.578 5.519 -13.131 1.00 5.30 H new ATOM 0 HB2 ASN A 24 -7.409 2.653 -12.852 1.00 52.10 H new ATOM 0 HB3 ASN A 24 -7.774 3.718 -11.509 1.00 52.10 H new ATOM 0 HD21 ASN A 24 -10.814 4.151 -13.364 1.00 5.14 H new ATOM 0 HD22 ASN A 24 -10.032 3.187 -12.106 1.00 5.14 H new ATOM 319 N TYR A 25 -4.510 5.514 -11.590 1.00 43.00 N ATOM 320 CA TYR A 25 -3.603 5.666 -10.450 1.00 41.30 C ATOM 321 C TYR A 25 -4.333 6.238 -9.249 1.00 72.30 C ATOM 322 O TYR A 25 -4.001 5.925 -8.105 1.00 30.50 O ATOM 323 CB TYR A 25 -2.430 6.573 -10.830 1.00 62.30 C ATOM 324 CG TYR A 25 -1.708 6.138 -12.090 1.00 71.20 C ATOM 325 CD1 TYR A 25 -1.143 4.872 -12.180 1.00 42.40 C ATOM 326 CD2 TYR A 25 -1.592 6.993 -13.180 1.00 3.43 C ATOM 327 CE1 TYR A 25 -0.482 4.471 -13.330 1.00 13.40 C ATOM 328 CE2 TYR A 25 -0.933 6.599 -14.330 1.00 21.20 C ATOM 329 CZ TYR A 25 -0.380 5.338 -14.400 1.00 41.10 C ATOM 330 OH TYR A 25 0.277 4.942 -15.540 1.00 50.10 O ATOM 0 H TYR A 25 -4.382 6.206 -12.328 1.00 43.00 H new ATOM 0 HA TYR A 25 -3.223 4.680 -10.182 1.00 41.30 H new ATOM 0 HB2 TYR A 25 -2.797 7.590 -10.965 1.00 62.30 H new ATOM 0 HB3 TYR A 25 -1.719 6.598 -10.004 1.00 62.30 H new ATOM 0 HD1 TYR A 25 -1.220 4.193 -11.344 1.00 42.40 H new ATOM 0 HD2 TYR A 25 -2.024 7.982 -13.128 1.00 3.43 H new ATOM 0 HE1 TYR A 25 -0.048 3.484 -13.389 1.00 13.40 H new ATOM 0 HE2 TYR A 25 -0.852 7.275 -15.168 1.00 21.20 H new ATOM 0 HH TYR A 25 0.258 5.668 -16.198 1.00 50.10 H new ATOM 340 N GLU A 26 -5.330 7.078 -9.508 1.00 42.20 N ATOM 341 CA GLU A 26 -6.108 7.694 -8.440 1.00 51.10 C ATOM 342 C GLU A 26 -6.845 6.637 -7.625 1.00 64.10 C ATOM 343 O GLU A 26 -6.636 6.511 -6.418 1.00 43.50 O ATOM 344 CB GLU A 26 -7.107 8.696 -9.020 1.00 44.00 C ATOM 345 CG GLU A 26 -7.315 9.923 -8.148 1.00 51.20 C ATOM 346 CD GLU A 26 -8.562 10.700 -8.522 1.00 62.30 C ATOM 347 OE1 GLU A 26 -8.518 11.449 -9.520 1.00 12.40 O ATOM 348 OE2 GLU A 26 -9.583 10.558 -7.817 1.00 65.40 O ATOM 0 H GLU A 26 -5.618 7.348 -10.449 1.00 42.20 H new ATOM 0 HA GLU A 26 -5.419 8.221 -7.780 1.00 51.10 H new ATOM 0 HB2 GLU A 26 -6.760 9.014 -10.003 1.00 44.00 H new ATOM 0 HB3 GLU A 26 -8.065 8.198 -9.166 1.00 44.00 H new ATOM 0 HG2 GLU A 26 -7.383 9.615 -7.105 1.00 51.20 H new ATOM 0 HG3 GLU A 26 -6.446 10.576 -8.232 1.00 51.20 H new ATOM 355 N GLU A 27 -7.709 5.879 -8.292 1.00 35.30 N ATOM 356 CA GLU A 27 -8.478 4.831 -7.630 1.00 43.10 C ATOM 357 C GLU A 27 -7.560 3.733 -7.103 1.00 34.10 C ATOM 358 O GLU A 27 -7.801 3.168 -6.037 1.00 71.00 O ATOM 359 CB GLU A 27 -9.504 4.235 -8.596 1.00 62.20 C ATOM 360 CG GLU A 27 -10.640 3.511 -7.900 1.00 33.10 C ATOM 361 CD GLU A 27 -11.980 3.784 -8.546 1.00 53.00 C ATOM 362 OE1 GLU A 27 -12.190 4.913 -9.039 1.00 1.54 O ATOM 363 OE2 GLU A 27 -12.830 2.868 -8.560 1.00 21.30 O ATOM 0 H GLU A 27 -7.894 5.971 -9.291 1.00 35.30 H new ATOM 0 HA GLU A 27 -9.002 5.278 -6.785 1.00 43.10 H new ATOM 0 HB2 GLU A 27 -9.916 5.033 -9.213 1.00 62.20 H new ATOM 0 HB3 GLU A 27 -8.999 3.541 -9.268 1.00 62.20 H new ATOM 0 HG2 GLU A 27 -10.445 2.439 -7.913 1.00 33.10 H new ATOM 0 HG3 GLU A 27 -10.675 3.816 -6.854 1.00 33.10 H new ATOM 370 N ALA A 28 -6.507 3.436 -7.858 1.00 21.50 N ATOM 371 CA ALA A 28 -5.553 2.406 -7.467 1.00 74.30 C ATOM 372 C ALA A 28 -4.909 2.734 -6.124 1.00 63.00 C ATOM 373 O ALA A 28 -4.847 1.890 -5.231 1.00 51.20 O ATOM 374 CB ALA A 28 -4.487 2.240 -8.539 1.00 10.10 C ATOM 0 H ALA A 28 -6.293 3.894 -8.744 1.00 21.50 H new ATOM 0 HA ALA A 28 -6.095 1.466 -7.360 1.00 74.30 H new ATOM 0 HB1 ALA A 28 -3.781 1.468 -8.234 1.00 10.10 H new ATOM 0 HB2 ALA A 28 -4.958 1.951 -9.479 1.00 10.10 H new ATOM 0 HB3 ALA A 28 -3.957 3.183 -8.674 1.00 10.10 H new ATOM 380 N LEU A 29 -4.430 3.967 -5.989 1.00 32.10 N ATOM 381 CA LEU A 29 -3.790 4.408 -4.755 1.00 31.50 C ATOM 382 C LEU A 29 -4.754 4.308 -3.577 1.00 42.30 C ATOM 383 O LEU A 29 -4.371 3.898 -2.482 1.00 3.13 O ATOM 384 CB LEU A 29 -3.289 5.846 -4.902 1.00 64.20 C ATOM 385 CG LEU A 29 -2.319 6.312 -3.813 1.00 44.00 C ATOM 386 CD1 LEU A 29 -3.049 6.510 -2.494 1.00 45.50 C ATOM 387 CD2 LEU A 29 -1.181 5.315 -3.650 1.00 52.30 C ATOM 0 H LEU A 29 -4.473 4.678 -6.719 1.00 32.10 H new ATOM 0 HA LEU A 29 -2.940 3.754 -4.561 1.00 31.50 H new ATOM 0 HB2 LEU A 29 -2.798 5.946 -5.870 1.00 64.20 H new ATOM 0 HB3 LEU A 29 -4.150 6.515 -4.910 1.00 64.20 H new ATOM 0 HG LEU A 29 -1.897 7.270 -4.117 1.00 44.00 H new ATOM 0 HD11 LEU A 29 -2.342 6.841 -1.733 1.00 45.50 H new ATOM 0 HD12 LEU A 29 -3.827 7.263 -2.618 1.00 45.50 H new ATOM 0 HD13 LEU A 29 -3.501 5.568 -2.184 1.00 45.50 H new ATOM 0 HD21 LEU A 29 -0.501 5.663 -2.872 1.00 52.30 H new ATOM 0 HD22 LEU A 29 -1.586 4.343 -3.370 1.00 52.30 H new ATOM 0 HD23 LEU A 29 -0.639 5.225 -4.591 1.00 52.30 H new ATOM 399 N ARG A 30 -6.007 4.687 -3.810 1.00 72.40 N ATOM 400 CA ARG A 30 -7.025 4.640 -2.767 1.00 52.30 C ATOM 401 C ARG A 30 -7.210 3.217 -2.251 1.00 3.10 C ATOM 402 O ARG A 30 -7.007 2.944 -1.068 1.00 13.20 O ATOM 403 CB ARG A 30 -8.355 5.178 -3.299 1.00 23.10 C ATOM 404 CG ARG A 30 -8.284 6.625 -3.760 1.00 42.40 C ATOM 405 CD ARG A 30 -8.310 7.586 -2.583 1.00 13.40 C ATOM 406 NE ARG A 30 -8.850 8.892 -2.954 1.00 51.20 N ATOM 407 CZ ARG A 30 -8.669 10.000 -2.239 1.00 25.40 C ATOM 408 NH1 ARG A 30 -7.962 9.965 -1.116 1.00 15.50 N ATOM 409 NH2 ARG A 30 -9.195 11.146 -2.648 1.00 62.10 N ATOM 0 H ARG A 30 -6.341 5.030 -4.711 1.00 72.40 H new ATOM 0 HA ARG A 30 -6.691 5.267 -1.940 1.00 52.30 H new ATOM 0 HB2 ARG A 30 -8.682 4.556 -4.132 1.00 23.10 H new ATOM 0 HB3 ARG A 30 -9.111 5.090 -2.519 1.00 23.10 H new ATOM 0 HG2 ARG A 30 -7.373 6.780 -4.337 1.00 42.40 H new ATOM 0 HG3 ARG A 30 -9.122 6.838 -4.424 1.00 42.40 H new ATOM 0 HD2 ARG A 30 -8.912 7.160 -1.780 1.00 13.40 H new ATOM 0 HD3 ARG A 30 -7.300 7.709 -2.193 1.00 13.40 H new ATOM 0 HE ARG A 30 -9.398 8.959 -3.812 1.00 51.20 H new ATOM 0 HH11 ARG A 30 -7.554 9.086 -0.797 1.00 15.50 H new ATOM 0 HH12 ARG A 30 -7.826 10.817 -0.572 1.00 15.50 H new ATOM 0 HH21 ARG A 30 -9.738 11.179 -3.511 1.00 62.10 H new ATOM 0 HH22 ARG A 30 -9.056 11.995 -2.100 1.00 62.10 H new ATOM 423 N LEU A 31 -7.596 2.314 -3.146 1.00 21.00 N ATOM 424 CA LEU A 31 -7.808 0.918 -2.781 1.00 23.10 C ATOM 425 C LEU A 31 -6.520 0.290 -2.258 1.00 71.30 C ATOM 426 O LEU A 31 -6.551 -0.598 -1.407 1.00 51.30 O ATOM 427 CB LEU A 31 -8.323 0.126 -3.985 1.00 24.10 C ATOM 428 CG LEU A 31 -9.712 0.532 -4.480 1.00 5.42 C ATOM 429 CD1 LEU A 31 -9.823 0.327 -5.983 1.00 52.50 C ATOM 430 CD2 LEU A 31 -10.780 -0.258 -3.752 1.00 24.10 C ATOM 0 H LEU A 31 -7.768 2.524 -4.129 1.00 21.00 H new ATOM 0 HA LEU A 31 -8.555 0.886 -1.988 1.00 23.10 H new ATOM 0 HB2 LEU A 31 -7.614 0.239 -4.805 1.00 24.10 H new ATOM 0 HB3 LEU A 31 -8.342 -0.932 -3.724 1.00 24.10 H new ATOM 0 HG LEU A 31 -9.862 1.591 -4.269 1.00 5.42 H new ATOM 0 HD11 LEU A 31 -10.818 0.621 -6.318 1.00 52.50 H new ATOM 0 HD12 LEU A 31 -9.075 0.937 -6.490 1.00 52.50 H new ATOM 0 HD13 LEU A 31 -9.656 -0.724 -6.220 1.00 52.50 H new ATOM 0 HD21 LEU A 31 -11.764 0.041 -4.114 1.00 24.10 H new ATOM 0 HD22 LEU A 31 -10.634 -1.322 -3.935 1.00 24.10 H new ATOM 0 HD23 LEU A 31 -10.712 -0.062 -2.682 1.00 24.10 H new ATOM 442 N TYR A 32 -5.388 0.759 -2.774 1.00 14.30 N ATOM 443 CA TYR A 32 -4.088 0.243 -2.360 1.00 41.20 C ATOM 444 C TYR A 32 -3.801 0.598 -0.904 1.00 61.50 C ATOM 445 O TYR A 32 -3.263 -0.214 -0.152 1.00 14.30 O ATOM 446 CB TYR A 32 -2.985 0.801 -3.260 1.00 73.50 C ATOM 447 CG TYR A 32 -2.688 -0.065 -4.463 1.00 43.30 C ATOM 448 CD1 TYR A 32 -2.562 -1.443 -4.337 1.00 32.40 C ATOM 449 CD2 TYR A 32 -2.534 0.495 -5.725 1.00 51.20 C ATOM 450 CE1 TYR A 32 -2.291 -2.238 -5.435 1.00 63.40 C ATOM 451 CE2 TYR A 32 -2.263 -0.293 -6.828 1.00 41.30 C ATOM 452 CZ TYR A 32 -2.143 -1.659 -6.677 1.00 11.00 C ATOM 453 OH TYR A 32 -1.873 -2.447 -7.772 1.00 62.40 O ATOM 0 H TYR A 32 -5.345 1.495 -3.479 1.00 14.30 H new ATOM 0 HA TYR A 32 -4.109 -0.843 -2.453 1.00 41.20 H new ATOM 0 HB2 TYR A 32 -3.274 1.795 -3.601 1.00 73.50 H new ATOM 0 HB3 TYR A 32 -2.074 0.918 -2.673 1.00 73.50 H new ATOM 0 HD1 TYR A 32 -2.678 -1.900 -3.366 1.00 32.40 H new ATOM 0 HD2 TYR A 32 -2.628 1.564 -5.846 1.00 51.20 H new ATOM 0 HE1 TYR A 32 -2.196 -3.308 -5.320 1.00 63.40 H new ATOM 0 HE2 TYR A 32 -2.146 0.158 -7.802 1.00 41.30 H new ATOM 0 HH TYR A 32 -1.800 -1.883 -8.570 1.00 62.40 H new ATOM 463 N GLN A 33 -4.163 1.816 -0.515 1.00 43.00 N ATOM 464 CA GLN A 33 -3.945 2.278 0.851 1.00 11.30 C ATOM 465 C GLN A 33 -4.680 1.391 1.850 1.00 22.30 C ATOM 466 O GLN A 33 -4.080 0.861 2.786 1.00 42.30 O ATOM 467 CB GLN A 33 -4.408 3.728 1.002 1.00 30.30 C ATOM 468 CG GLN A 33 -3.320 4.748 0.708 1.00 55.50 C ATOM 469 CD GLN A 33 -3.849 6.167 0.657 1.00 73.20 C ATOM 470 OE1 GLN A 33 -4.796 6.414 -0.242 1.00 42.10 O flip ATOM 471 NE2 GLN A 33 -3.413 7.033 1.416 1.00 34.20 N flip ATOM 0 H GLN A 33 -4.608 2.501 -1.126 1.00 43.00 H new ATOM 0 HA GLN A 33 -2.877 2.221 1.060 1.00 11.30 H new ATOM 0 HB2 GLN A 33 -5.250 3.904 0.332 1.00 30.30 H new ATOM 0 HB3 GLN A 33 -4.772 3.880 2.018 1.00 30.30 H new ATOM 0 HG2 GLN A 33 -2.547 4.680 1.473 1.00 55.50 H new ATOM 0 HG3 GLN A 33 -2.848 4.506 -0.244 1.00 55.50 H new ATOM 0 HE21 GLN A 33 -2.685 6.800 2.092 1.00 34.20 H new ATOM 0 HE22 GLN A 33 -3.780 7.984 1.369 1.00 34.20 H new ATOM 480 N HIS A 34 -5.984 1.232 1.646 1.00 42.30 N ATOM 481 CA HIS A 34 -6.802 0.409 2.529 1.00 53.10 C ATOM 482 C HIS A 34 -6.307 -1.034 2.540 1.00 1.31 C ATOM 483 O HIS A 34 -6.377 -1.717 3.562 1.00 64.10 O ATOM 484 CB HIS A 34 -8.267 0.454 2.091 1.00 61.30 C ATOM 485 CG HIS A 34 -9.051 1.552 2.739 1.00 23.20 C ATOM 486 ND1 HIS A 34 -10.230 2.041 2.222 1.00 20.10 N ATOM 487 CD2 HIS A 34 -8.818 2.259 3.871 1.00 10.00 C ATOM 488 CE1 HIS A 34 -10.690 3.000 3.006 1.00 71.30 C ATOM 489 NE2 HIS A 34 -9.852 3.151 4.013 1.00 43.20 N ATOM 0 H HIS A 34 -6.497 1.663 0.877 1.00 42.30 H new ATOM 0 HA HIS A 34 -6.720 0.811 3.539 1.00 53.10 H new ATOM 0 HB2 HIS A 34 -8.311 0.577 1.009 1.00 61.30 H new ATOM 0 HB3 HIS A 34 -8.737 -0.502 2.322 1.00 61.30 H new ATOM 0 HD2 HIS A 34 -7.976 2.143 4.537 1.00 10.00 H new ATOM 0 HE1 HIS A 34 -11.598 3.564 2.849 1.00 71.30 H new ATOM 0 HE2 HIS A 34 -9.955 3.822 4.774 1.00 43.20 H new ATOM 498 N ALA A 35 -5.806 -1.491 1.397 1.00 43.30 N ATOM 499 CA ALA A 35 -5.299 -2.852 1.275 1.00 65.00 C ATOM 500 C ALA A 35 -4.101 -3.076 2.192 1.00 33.20 C ATOM 501 O ALA A 35 -4.101 -3.987 3.019 1.00 64.10 O ATOM 502 CB ALA A 35 -4.923 -3.148 -0.169 1.00 12.20 C ATOM 0 H ALA A 35 -5.740 -0.938 0.542 1.00 43.30 H new ATOM 0 HA ALA A 35 -6.090 -3.537 1.580 1.00 65.00 H new ATOM 0 HB1 ALA A 35 -4.546 -4.168 -0.245 1.00 12.20 H new ATOM 0 HB2 ALA A 35 -5.802 -3.038 -0.804 1.00 12.20 H new ATOM 0 HB3 ALA A 35 -4.151 -2.451 -0.494 1.00 12.20 H new ATOM 508 N VAL A 36 -3.081 -2.238 2.039 1.00 71.30 N ATOM 509 CA VAL A 36 -1.876 -2.344 2.853 1.00 72.10 C ATOM 510 C VAL A 36 -2.188 -2.105 4.327 1.00 74.30 C ATOM 511 O VAL A 36 -1.606 -2.740 5.206 1.00 4.12 O ATOM 512 CB VAL A 36 -0.799 -1.341 2.398 1.00 62.10 C ATOM 513 CG1 VAL A 36 0.501 -1.571 3.153 1.00 1.25 C ATOM 514 CG2 VAL A 36 -0.575 -1.439 0.896 1.00 30.50 C ATOM 0 H VAL A 36 -3.065 -1.478 1.359 1.00 71.30 H new ATOM 0 HA VAL A 36 -1.494 -3.357 2.724 1.00 72.10 H new ATOM 0 HB VAL A 36 -1.151 -0.334 2.625 1.00 62.10 H new ATOM 0 HG11 VAL A 36 1.249 -0.853 2.817 1.00 1.25 H new ATOM 0 HG12 VAL A 36 0.329 -1.443 4.222 1.00 1.25 H new ATOM 0 HG13 VAL A 36 0.859 -2.583 2.962 1.00 1.25 H new ATOM 0 HG21 VAL A 36 0.189 -0.723 0.595 1.00 30.50 H new ATOM 0 HG22 VAL A 36 -0.248 -2.447 0.642 1.00 30.50 H new ATOM 0 HG23 VAL A 36 -1.506 -1.218 0.374 1.00 30.50 H new ATOM 524 N GLU A 37 -3.110 -1.184 4.590 1.00 51.20 N ATOM 525 CA GLU A 37 -3.499 -0.861 5.957 1.00 0.44 C ATOM 526 C GLU A 37 -4.060 -2.089 6.668 1.00 1.45 C ATOM 527 O GLU A 37 -3.816 -2.295 7.857 1.00 72.10 O ATOM 528 CB GLU A 37 -4.537 0.263 5.962 1.00 65.20 C ATOM 529 CG GLU A 37 -3.932 1.650 5.815 1.00 23.40 C ATOM 530 CD GLU A 37 -3.700 2.329 7.151 1.00 3.35 C ATOM 531 OE1 GLU A 37 -4.681 2.827 7.742 1.00 71.10 O ATOM 532 OE2 GLU A 37 -2.537 2.362 7.606 1.00 31.00 O ATOM 0 H GLU A 37 -3.601 -0.649 3.874 1.00 51.20 H new ATOM 0 HA GLU A 37 -2.610 -0.528 6.492 1.00 0.44 H new ATOM 0 HB2 GLU A 37 -5.245 0.096 5.150 1.00 65.20 H new ATOM 0 HB3 GLU A 37 -5.103 0.219 6.892 1.00 65.20 H new ATOM 0 HG2 GLU A 37 -2.985 1.575 5.281 1.00 23.40 H new ATOM 0 HG3 GLU A 37 -4.593 2.268 5.207 1.00 23.40 H new ATOM 539 N TYR A 38 -4.812 -2.900 5.932 1.00 32.40 N ATOM 540 CA TYR A 38 -5.408 -4.108 6.492 1.00 65.20 C ATOM 541 C TYR A 38 -4.353 -5.191 6.692 1.00 22.40 C ATOM 542 O TYR A 38 -4.430 -5.980 7.634 1.00 35.10 O ATOM 543 CB TYR A 38 -6.519 -4.625 5.577 1.00 72.30 C ATOM 544 CG TYR A 38 -7.885 -4.067 5.908 1.00 13.50 C ATOM 545 CD1 TYR A 38 -8.488 -4.335 7.130 1.00 34.30 C ATOM 546 CD2 TYR A 38 -8.571 -3.272 4.998 1.00 15.40 C ATOM 547 CE1 TYR A 38 -9.737 -3.827 7.437 1.00 34.30 C ATOM 548 CE2 TYR A 38 -9.820 -2.760 5.297 1.00 15.10 C ATOM 549 CZ TYR A 38 -10.390 -3.041 6.517 1.00 1.41 C ATOM 550 OH TYR A 38 -11.640 -2.533 6.818 1.00 3.44 O ATOM 0 H TYR A 38 -5.023 -2.743 4.947 1.00 32.40 H new ATOM 0 HA TYR A 38 -5.835 -3.857 7.463 1.00 65.20 H new ATOM 0 HB2 TYR A 38 -6.274 -4.375 4.545 1.00 72.30 H new ATOM 0 HB3 TYR A 38 -6.555 -5.713 5.641 1.00 72.30 H new ATOM 0 HD1 TYR A 38 -7.973 -4.950 7.853 1.00 34.30 H new ATOM 0 HD2 TYR A 38 -8.121 -3.050 4.041 1.00 15.40 H new ATOM 0 HE1 TYR A 38 -10.195 -4.046 8.390 1.00 34.30 H new ATOM 0 HE2 TYR A 38 -10.343 -2.145 4.580 1.00 15.10 H new ATOM 0 HH TYR A 38 -11.966 -1.997 6.065 1.00 3.44 H new ATOM 560 N PHE A 39 -3.369 -5.224 5.800 1.00 54.20 N ATOM 561 CA PHE A 39 -2.298 -6.211 5.879 1.00 64.20 C ATOM 562 C PHE A 39 -1.502 -6.047 7.170 1.00 3.11 C ATOM 563 O PHE A 39 -1.316 -7.004 7.922 1.00 14.10 O ATOM 564 CB PHE A 39 -1.368 -6.083 4.672 1.00 51.10 C ATOM 565 CG PHE A 39 -1.765 -6.953 3.513 1.00 22.10 C ATOM 566 CD1 PHE A 39 -1.996 -8.307 3.693 1.00 41.40 C ATOM 567 CD2 PHE A 39 -1.907 -6.415 2.244 1.00 74.40 C ATOM 568 CE1 PHE A 39 -2.362 -9.109 2.629 1.00 2.21 C ATOM 569 CE2 PHE A 39 -2.272 -7.213 1.176 1.00 62.00 C ATOM 570 CZ PHE A 39 -2.500 -8.562 1.369 1.00 63.20 C ATOM 0 H PHE A 39 -3.291 -4.579 5.014 1.00 54.20 H new ATOM 0 HA PHE A 39 -2.750 -7.203 5.876 1.00 64.20 H new ATOM 0 HB2 PHE A 39 -1.350 -5.043 4.346 1.00 51.10 H new ATOM 0 HB3 PHE A 39 -0.353 -6.339 4.977 1.00 51.10 H new ATOM 0 HD1 PHE A 39 -1.889 -8.741 4.676 1.00 41.40 H new ATOM 0 HD2 PHE A 39 -1.731 -5.361 2.088 1.00 74.40 H new ATOM 0 HE1 PHE A 39 -2.540 -10.163 2.783 1.00 2.21 H new ATOM 0 HE2 PHE A 39 -2.379 -6.782 0.191 1.00 62.00 H new ATOM 0 HZ PHE A 39 -2.786 -9.187 0.536 1.00 63.20 H new ATOM 580 N LEU A 40 -1.034 -4.829 7.420 1.00 12.40 N ATOM 581 CA LEU A 40 -0.257 -4.539 8.620 1.00 40.30 C ATOM 582 C LEU A 40 -1.065 -4.844 9.877 1.00 43.50 C ATOM 583 O LEU A 40 -0.540 -5.390 10.848 1.00 72.40 O ATOM 584 CB LEU A 40 0.184 -3.075 8.626 1.00 42.30 C ATOM 585 CG LEU A 40 0.891 -2.606 7.353 1.00 73.20 C ATOM 586 CD1 LEU A 40 1.270 -1.137 7.463 1.00 44.20 C ATOM 587 CD2 LEU A 40 2.122 -3.458 7.083 1.00 25.50 C ATOM 0 H LEU A 40 -1.179 -4.026 6.808 1.00 12.40 H new ATOM 0 HA LEU A 40 0.627 -5.177 8.614 1.00 40.30 H new ATOM 0 HB2 LEU A 40 -0.693 -2.448 8.788 1.00 42.30 H new ATOM 0 HB3 LEU A 40 0.851 -2.916 9.473 1.00 42.30 H new ATOM 0 HG LEU A 40 0.204 -2.720 6.515 1.00 73.20 H new ATOM 0 HD11 LEU A 40 1.772 -0.821 6.548 1.00 44.20 H new ATOM 0 HD12 LEU A 40 0.370 -0.539 7.608 1.00 44.20 H new ATOM 0 HD13 LEU A 40 1.940 -0.997 8.311 1.00 44.20 H new ATOM 0 HD21 LEU A 40 2.613 -3.111 6.174 1.00 25.50 H new ATOM 0 HD22 LEU A 40 2.813 -3.376 7.922 1.00 25.50 H new ATOM 0 HD23 LEU A 40 1.824 -4.499 6.959 1.00 25.50 H new ATOM 599 N HIS A 41 -2.345 -4.488 9.852 1.00 42.20 N ATOM 600 CA HIS A 41 -3.226 -4.724 10.990 1.00 45.50 C ATOM 601 C HIS A 41 -3.322 -6.214 11.305 1.00 10.30 C ATOM 602 O HIS A 41 -3.492 -6.605 12.459 1.00 51.20 O ATOM 603 CB HIS A 41 -4.620 -4.160 10.708 1.00 14.10 C ATOM 604 CG HIS A 41 -4.776 -2.725 11.105 1.00 14.20 C ATOM 605 ND1 HIS A 41 -3.727 -1.830 11.122 1.00 61.00 N ATOM 606 CD2 HIS A 41 -5.869 -2.029 11.500 1.00 34.30 C ATOM 607 CE1 HIS A 41 -4.167 -0.647 11.511 1.00 55.30 C ATOM 608 NE2 HIS A 41 -5.463 -0.740 11.746 1.00 50.10 N ATOM 0 H HIS A 41 -2.795 -4.035 9.057 1.00 42.20 H new ATOM 0 HA HIS A 41 -2.803 -4.215 11.856 1.00 45.50 H new ATOM 0 HB2 HIS A 41 -4.835 -4.260 9.644 1.00 14.10 H new ATOM 0 HB3 HIS A 41 -5.360 -4.758 11.240 1.00 14.10 H new ATOM 0 HD2 HIS A 41 -6.872 -2.415 11.602 1.00 34.30 H new ATOM 0 HE1 HIS A 41 -3.568 0.245 11.619 1.00 55.30 H new ATOM 0 HE2 HIS A 41 -6.065 0.022 12.059 1.00 50.10 H new ATOM 617 N ALA A 42 -3.211 -7.040 10.270 1.00 71.10 N ATOM 618 CA ALA A 42 -3.285 -8.486 10.435 1.00 0.13 C ATOM 619 C ALA A 42 -2.013 -9.031 11.077 1.00 41.20 C ATOM 620 O ALA A 42 -2.048 -10.020 11.803 1.00 14.50 O ATOM 621 CB ALA A 42 -3.531 -9.159 9.093 1.00 55.30 C ATOM 0 H ALA A 42 -3.069 -6.732 9.308 1.00 71.10 H new ATOM 0 HA ALA A 42 -4.120 -8.709 11.099 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -3.584 -10.239 9.232 1.00 55.30 H new ATOM 0 HB2 ALA A 42 -4.471 -8.801 8.673 1.00 55.30 H new ATOM 0 HB3 ALA A 42 -2.715 -8.920 8.411 1.00 55.30 H new ATOM 627 N ILE A 43 -0.890 -8.374 10.803 1.00 44.30 N ATOM 628 CA ILE A 43 0.393 -8.792 11.354 1.00 33.30 C ATOM 629 C ILE A 43 0.511 -8.409 12.825 1.00 23.10 C ATOM 630 O ILE A 43 0.873 -9.233 13.665 1.00 42.30 O ATOM 631 CB ILE A 43 1.568 -8.169 10.577 1.00 65.50 C ATOM 632 CG1 ILE A 43 1.386 -8.383 9.073 1.00 24.30 C ATOM 633 CG2 ILE A 43 2.889 -8.763 11.045 1.00 35.40 C ATOM 634 CD1 ILE A 43 2.235 -7.463 8.224 1.00 24.40 C ATOM 0 H ILE A 43 -0.843 -7.551 10.203 1.00 44.30 H new ATOM 0 HA ILE A 43 0.439 -9.877 11.259 1.00 33.30 H new ATOM 0 HB ILE A 43 1.584 -7.097 10.773 1.00 65.50 H new ATOM 0 HG12 ILE A 43 1.630 -9.417 8.829 1.00 24.30 H new ATOM 0 HG13 ILE A 43 0.337 -8.234 8.818 1.00 24.30 H new ATOM 0 HG21 ILE A 43 3.709 -8.312 10.486 1.00 35.40 H new ATOM 0 HG22 ILE A 43 3.021 -8.563 12.108 1.00 35.40 H new ATOM 0 HG23 ILE A 43 2.884 -9.840 10.876 1.00 35.40 H new ATOM 0 HD11 ILE A 43 2.054 -7.671 7.169 1.00 24.40 H new ATOM 0 HD12 ILE A 43 1.975 -6.427 8.439 1.00 24.40 H new ATOM 0 HD13 ILE A 43 3.288 -7.627 8.451 1.00 24.40 H new ATOM 646 N LYS A 44 0.202 -7.153 13.131 1.00 10.00 N ATOM 647 CA LYS A 44 0.274 -6.661 14.502 1.00 44.20 C ATOM 648 C LYS A 44 -0.699 -7.415 15.402 1.00 2.13 C ATOM 649 O LYS A 44 -0.440 -7.605 16.591 1.00 12.10 O ATOM 650 CB LYS A 44 -0.031 -5.162 14.544 1.00 52.50 C ATOM 651 CG LYS A 44 -1.319 -4.783 13.831 1.00 35.20 C ATOM 652 CD LYS A 44 -2.035 -3.645 14.540 1.00 24.00 C ATOM 653 CE LYS A 44 -1.611 -2.292 13.991 1.00 50.20 C ATOM 654 NZ LYS A 44 -2.365 -1.175 14.623 1.00 13.10 N ATOM 0 H LYS A 44 -0.100 -6.458 12.449 1.00 10.00 H new ATOM 0 HA LYS A 44 1.286 -6.830 14.870 1.00 44.20 H new ATOM 0 HB2 LYS A 44 -0.093 -4.841 15.584 1.00 52.50 H new ATOM 0 HB3 LYS A 44 0.798 -4.618 14.092 1.00 52.50 H new ATOM 0 HG2 LYS A 44 -1.095 -4.490 12.805 1.00 35.20 H new ATOM 0 HG3 LYS A 44 -1.976 -5.651 13.779 1.00 35.20 H new ATOM 0 HD2 LYS A 44 -3.112 -3.764 14.425 1.00 24.00 H new ATOM 0 HD3 LYS A 44 -1.821 -3.689 15.608 1.00 24.00 H new ATOM 0 HE2 LYS A 44 -0.543 -2.150 14.159 1.00 50.20 H new ATOM 0 HE3 LYS A 44 -1.769 -2.272 12.913 1.00 50.20 H new ATOM 0 HZ1 LYS A 44 -2.046 -0.270 14.221 1.00 13.10 H new ATOM 0 HZ2 LYS A 44 -3.382 -1.296 14.441 1.00 13.10 H new ATOM 0 HZ3 LYS A 44 -2.194 -1.178 15.649 1.00 13.10 H new ATOM 668 N TYR A 45 -1.818 -7.843 14.828 1.00 63.30 N ATOM 669 CA TYR A 45 -2.830 -8.577 15.579 1.00 12.30 C ATOM 670 C TYR A 45 -2.454 -10.050 15.702 1.00 44.20 C ATOM 671 O TYR A 45 -2.036 -10.500 16.765 1.00 15.20 O ATOM 672 CB TYR A 45 -4.196 -8.441 14.903 1.00 65.10 C ATOM 673 CG TYR A 45 -5.024 -7.294 15.436 1.00 2.40 C ATOM 674 CD1 TYR A 45 -4.693 -5.977 15.140 1.00 22.40 C ATOM 675 CD2 TYR A 45 -6.136 -7.527 16.235 1.00 44.20 C ATOM 676 CE1 TYR A 45 -5.447 -4.926 15.625 1.00 74.40 C ATOM 677 CE2 TYR A 45 -6.896 -6.481 16.723 1.00 25.30 C ATOM 678 CZ TYR A 45 -6.547 -5.183 16.416 1.00 24.30 C ATOM 679 OH TYR A 45 -7.301 -4.138 16.900 1.00 74.40 O ATOM 0 H TYR A 45 -2.047 -7.694 13.845 1.00 63.30 H new ATOM 0 HA TYR A 45 -2.885 -8.150 16.580 1.00 12.30 H new ATOM 0 HB2 TYR A 45 -4.050 -8.305 13.831 1.00 65.10 H new ATOM 0 HB3 TYR A 45 -4.751 -9.370 15.034 1.00 65.10 H new ATOM 0 HD1 TYR A 45 -3.832 -5.772 14.521 1.00 22.40 H new ATOM 0 HD2 TYR A 45 -6.411 -8.542 16.479 1.00 44.20 H new ATOM 0 HE1 TYR A 45 -5.176 -3.908 15.386 1.00 74.40 H new ATOM 0 HE2 TYR A 45 -7.759 -6.679 17.342 1.00 25.30 H new ATOM 0 HH TYR A 45 -8.040 -4.490 17.439 1.00 74.40 H new ATOM 689 N GLU A 46 -2.607 -10.780 14.607 1.00 73.10 N ATOM 690 CA GLU A 46 -2.283 -12.210 14.592 1.00 40.10 C ATOM 691 C GLU A 46 -1.478 -12.570 13.349 1.00 1.42 C ATOM 692 O GLU A 46 -1.974 -12.470 12.226 1.00 34.20 O ATOM 693 CB GLU A 46 -3.563 -13.040 14.646 1.00 53.20 C ATOM 694 CG GLU A 46 -3.336 -14.470 15.106 1.00 23.10 C ATOM 695 CD GLU A 46 -4.411 -15.420 14.612 1.00 11.30 C ATOM 696 OE1 GLU A 46 -5.444 -15.560 15.301 1.00 43.40 O ATOM 697 OE2 GLU A 46 -4.220 -16.030 13.536 1.00 53.40 O ATOM 0 H GLU A 46 -2.951 -10.414 13.719 1.00 73.10 H new ATOM 0 HA GLU A 46 -1.677 -12.433 15.470 1.00 40.10 H new ATOM 0 HB2 GLU A 46 -4.272 -12.558 15.319 1.00 53.20 H new ATOM 0 HB3 GLU A 46 -4.021 -13.053 13.657 1.00 53.20 H new ATOM 0 HG2 GLU A 46 -2.364 -14.812 14.751 1.00 23.10 H new ATOM 0 HG3 GLU A 46 -3.305 -14.497 16.195 1.00 23.10 H new ATOM 704 N ALA A 47 -0.232 -12.980 13.557 1.00 51.40 N ATOM 705 CA ALA A 47 0.642 -13.360 12.453 1.00 22.10 C ATOM 706 C ALA A 47 0.772 -14.870 12.348 1.00 20.40 C ATOM 707 O ALA A 47 0.117 -15.620 13.080 1.00 45.10 O ATOM 708 CB ALA A 47 2.012 -12.720 12.624 1.00 43.00 C ATOM 0 H ALA A 47 0.196 -13.058 14.480 1.00 51.40 H new ATOM 0 HA ALA A 47 0.195 -12.998 11.527 1.00 22.10 H new ATOM 0 HB1 ALA A 47 2.656 -13.011 11.794 1.00 43.00 H new ATOM 0 HB2 ALA A 47 1.907 -11.635 12.639 1.00 43.00 H new ATOM 0 HB3 ALA A 47 2.456 -13.055 13.562 1.00 43.00 H new ATOM 714 N HIS A 48 1.622 -15.330 11.433 1.00 34.30 N ATOM 715 CA HIS A 48 1.838 -16.760 11.232 1.00 31.10 C ATOM 716 C HIS A 48 3.190 -17.190 11.791 1.00 64.40 C ATOM 717 O HIS A 48 3.261 -17.950 12.754 1.00 51.00 O ATOM 718 CB HIS A 48 1.755 -17.100 9.744 1.00 44.00 C ATOM 719 CG HIS A 48 1.441 -18.540 9.481 1.00 53.40 C ATOM 720 ND1 HIS A 48 0.395 -18.950 8.680 1.00 51.40 N ATOM 721 CD2 HIS A 48 2.043 -19.670 9.917 1.00 21.20 C ATOM 722 CE1 HIS A 48 0.367 -20.270 8.636 1.00 31.00 C ATOM 723 NE2 HIS A 48 1.357 -20.730 9.377 1.00 33.40 N ATOM 0 H HIS A 48 2.173 -14.731 10.818 1.00 34.30 H new ATOM 0 HA HIS A 48 1.058 -17.301 11.767 1.00 31.10 H new ATOM 0 HB2 HIS A 48 0.990 -16.478 9.279 1.00 44.00 H new ATOM 0 HB3 HIS A 48 2.703 -16.849 9.268 1.00 44.00 H new ATOM 0 HD2 HIS A 48 2.903 -19.728 10.568 1.00 21.20 H new ATOM 0 HE1 HIS A 48 -0.344 -20.870 8.088 1.00 31.00 H new ATOM 0 HE2 HIS A 48 1.577 -21.715 9.525 1.00 33.40 H new ATOM 732 N SER A 49 4.262 -16.690 11.179 1.00 35.10 N ATOM 733 CA SER A 49 5.613 -17.020 11.616 1.00 2.22 C ATOM 734 C SER A 49 6.625 -16.030 11.062 1.00 13.50 C ATOM 735 O SER A 49 6.258 -15.070 10.383 1.00 63.50 O ATOM 736 CB SER A 49 5.980 -18.440 11.172 1.00 61.40 C ATOM 737 OG SER A 49 5.647 -19.390 12.170 1.00 2.52 O ATOM 0 H SER A 49 4.219 -16.056 10.381 1.00 35.10 H new ATOM 0 HA SER A 49 5.638 -16.964 12.704 1.00 2.22 H new ATOM 0 HB2 SER A 49 5.457 -18.682 10.247 1.00 61.40 H new ATOM 0 HB3 SER A 49 7.047 -18.493 10.957 1.00 61.40 H new ATOM 0 HG SER A 49 4.797 -19.140 12.589 1.00 2.52 H new ATOM 743 N ASP A 50 7.900 -16.260 11.355 1.00 62.30 N ATOM 744 CA ASP A 50 8.965 -15.380 10.886 1.00 23.40 C ATOM 745 C ASP A 50 9.023 -15.360 9.362 1.00 11.40 C ATOM 746 O ASP A 50 9.037 -14.300 8.744 1.00 44.10 O ATOM 747 CB ASP A 50 10.312 -15.830 11.454 1.00 25.40 C ATOM 748 CG ASP A 50 10.423 -15.580 12.945 1.00 42.40 C ATOM 749 OD1 ASP A 50 10.019 -16.470 13.726 1.00 54.40 O ATOM 750 OD2 ASP A 50 10.914 -14.500 13.333 1.00 71.00 O ATOM 0 H ASP A 50 8.222 -17.049 11.916 1.00 62.30 H new ATOM 0 HA ASP A 50 8.750 -14.370 11.236 1.00 23.40 H new ATOM 0 HB2 ASP A 50 10.450 -16.893 11.255 1.00 25.40 H new ATOM 0 HB3 ASP A 50 11.115 -15.302 10.939 1.00 25.40 H new ATOM 755 N LYS A 51 9.056 -16.550 8.762 1.00 44.30 N ATOM 756 CA LYS A 51 9.113 -16.670 7.310 1.00 60.20 C ATOM 757 C LYS A 51 7.892 -16.020 6.662 1.00 33.10 C ATOM 758 O LYS A 51 8.012 -15.300 5.675 1.00 1.43 O ATOM 759 CB LYS A 51 9.201 -18.140 6.901 1.00 14.30 C ATOM 760 CG LYS A 51 9.813 -18.350 5.527 1.00 43.20 C ATOM 761 CD LYS A 51 10.253 -19.790 5.332 1.00 41.40 C ATOM 762 CE LYS A 51 11.454 -19.890 4.404 1.00 54.40 C ATOM 763 NZ LYS A 51 12.736 -19.950 5.159 1.00 4.45 N ATOM 0 H LYS A 51 9.044 -17.440 9.259 1.00 44.30 H new ATOM 0 HA LYS A 51 10.006 -16.151 6.962 1.00 60.20 H new ATOM 0 HB2 LYS A 51 9.793 -18.680 7.640 1.00 14.30 H new ATOM 0 HB3 LYS A 51 8.201 -18.573 6.915 1.00 14.30 H new ATOM 0 HG2 LYS A 51 9.087 -18.082 4.759 1.00 43.20 H new ATOM 0 HG3 LYS A 51 10.669 -17.686 5.403 1.00 43.20 H new ATOM 0 HD2 LYS A 51 10.502 -20.229 6.298 1.00 41.40 H new ATOM 0 HD3 LYS A 51 9.427 -20.371 4.922 1.00 41.40 H new ATOM 0 HE2 LYS A 51 11.358 -20.779 3.781 1.00 54.40 H new ATOM 0 HE3 LYS A 51 11.467 -19.031 3.734 1.00 54.40 H new ATOM 0 HZ1 LYS A 51 13.530 -20.018 4.490 1.00 4.45 H new ATOM 0 HZ2 LYS A 51 12.840 -19.090 5.735 1.00 4.45 H new ATOM 0 HZ3 LYS A 51 12.734 -20.784 5.780 1.00 4.45 H new ATOM 777 N ALA A 52 6.718 -16.290 7.226 1.00 22.40 N ATOM 778 CA ALA A 52 5.476 -15.730 6.704 1.00 72.40 C ATOM 779 C ALA A 52 5.433 -14.220 6.886 1.00 71.30 C ATOM 780 O ALA A 52 5.069 -13.480 5.968 1.00 13.10 O ATOM 781 CB ALA A 52 4.281 -16.380 7.385 1.00 53.20 C ATOM 0 H ALA A 52 6.601 -16.891 8.042 1.00 22.40 H new ATOM 0 HA ALA A 52 5.433 -15.939 5.635 1.00 72.40 H new ATOM 0 HB1 ALA A 52 3.360 -15.954 6.987 1.00 53.20 H new ATOM 0 HB2 ALA A 52 4.295 -17.454 7.198 1.00 53.20 H new ATOM 0 HB3 ALA A 52 4.331 -16.198 8.459 1.00 53.20 H new ATOM 787 N LYS A 53 5.806 -13.760 8.076 1.00 2.00 N ATOM 788 CA LYS A 53 5.810 -12.330 8.378 1.00 45.20 C ATOM 789 C LYS A 53 6.749 -11.580 7.441 1.00 25.30 C ATOM 790 O LYS A 53 6.493 -10.430 7.080 1.00 4.02 O ATOM 791 CB LYS A 53 6.225 -12.100 9.832 1.00 11.10 C ATOM 792 CG LYS A 53 5.058 -12.100 10.805 1.00 44.40 C ATOM 793 CD LYS A 53 5.285 -11.120 11.947 1.00 13.40 C ATOM 794 CE LYS A 53 6.099 -11.750 13.066 1.00 0.52 C ATOM 795 NZ LYS A 53 5.234 -12.260 14.166 1.00 65.10 N ATOM 0 H LYS A 53 6.109 -14.355 8.847 1.00 2.00 H new ATOM 0 HA LYS A 53 4.800 -11.947 8.231 1.00 45.20 H new ATOM 0 HB2 LYS A 53 6.932 -12.875 10.126 1.00 11.10 H new ATOM 0 HB3 LYS A 53 6.748 -11.147 9.905 1.00 11.10 H new ATOM 0 HG2 LYS A 53 4.142 -11.838 10.276 1.00 44.40 H new ATOM 0 HG3 LYS A 53 4.918 -13.103 11.207 1.00 44.40 H new ATOM 0 HD2 LYS A 53 5.802 -10.236 11.573 1.00 13.40 H new ATOM 0 HD3 LYS A 53 4.324 -10.786 12.338 1.00 13.40 H new ATOM 0 HE2 LYS A 53 6.695 -12.569 12.664 1.00 0.52 H new ATOM 0 HE3 LYS A 53 6.797 -11.014 13.465 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 5.829 -12.666 14.916 1.00 65.10 H new ATOM 0 HZ2 LYS A 53 4.671 -11.477 14.556 1.00 65.10 H new ATOM 0 HZ3 LYS A 53 4.597 -12.993 13.795 1.00 65.10 H new ATOM 809 N GLU A 54 7.838 -12.240 7.052 1.00 31.20 N ATOM 810 CA GLU A 54 8.816 -11.630 6.157 1.00 53.40 C ATOM 811 C GLU A 54 8.250 -11.490 4.748 1.00 12.50 C ATOM 812 O GLU A 54 8.553 -10.530 4.040 1.00 53.40 O ATOM 813 CB GLU A 54 10.097 -12.460 6.124 1.00 63.30 C ATOM 814 CG GLU A 54 11.363 -11.630 6.006 1.00 12.30 C ATOM 815 CD GLU A 54 12.489 -12.160 6.875 1.00 75.10 C ATOM 816 OE1 GLU A 54 12.194 -12.740 7.940 1.00 0.41 O ATOM 817 OE2 GLU A 54 13.665 -11.990 6.492 1.00 34.10 O ATOM 0 H GLU A 54 8.064 -13.192 7.341 1.00 31.20 H new ATOM 0 HA GLU A 54 9.047 -10.635 6.537 1.00 53.40 H new ATOM 0 HB2 GLU A 54 10.152 -13.062 7.031 1.00 63.30 H new ATOM 0 HB3 GLU A 54 10.048 -13.153 5.284 1.00 63.30 H new ATOM 0 HG2 GLU A 54 11.688 -11.615 4.966 1.00 12.30 H new ATOM 0 HG3 GLU A 54 11.146 -10.600 6.287 1.00 12.30 H new ATOM 824 N SER A 55 7.427 -12.450 4.347 1.00 2.42 N ATOM 825 CA SER A 55 6.818 -12.430 3.022 1.00 41.40 C ATOM 826 C SER A 55 5.872 -11.250 2.873 1.00 61.50 C ATOM 827 O SER A 55 5.894 -10.540 1.863 1.00 74.30 O ATOM 828 CB SER A 55 6.062 -13.740 2.768 1.00 63.50 C ATOM 829 OG SER A 55 6.199 -14.150 1.420 1.00 42.30 O ATOM 0 H SER A 55 7.165 -13.253 4.920 1.00 2.42 H new ATOM 0 HA SER A 55 7.615 -12.326 2.286 1.00 41.40 H new ATOM 0 HB2 SER A 55 6.443 -14.518 3.429 1.00 63.50 H new ATOM 0 HB3 SER A 55 5.007 -13.607 3.006 1.00 63.50 H new ATOM 0 HG SER A 55 5.710 -14.988 1.282 1.00 42.30 H new ATOM 835 N ILE A 56 5.041 -11.030 3.887 1.00 35.20 N ATOM 836 CA ILE A 56 4.086 -9.932 3.870 1.00 72.50 C ATOM 837 C ILE A 56 4.803 -8.587 3.826 1.00 12.20 C ATOM 838 O ILE A 56 4.330 -7.640 3.196 1.00 41.40 O ATOM 839 CB ILE A 56 3.160 -9.969 5.102 1.00 24.50 C ATOM 840 CG1 ILE A 56 2.538 -11.350 5.261 1.00 73.40 C ATOM 841 CG2 ILE A 56 2.075 -8.909 4.983 1.00 24.10 C ATOM 842 CD1 ILE A 56 2.471 -11.820 6.698 1.00 2.54 C ATOM 0 H ILE A 56 5.011 -11.600 4.732 1.00 35.20 H new ATOM 0 HA ILE A 56 3.481 -10.051 2.971 1.00 72.50 H new ATOM 0 HB ILE A 56 3.757 -9.756 5.988 1.00 24.50 H new ATOM 0 HG12 ILE A 56 1.531 -11.336 4.844 1.00 73.40 H new ATOM 0 HG13 ILE A 56 3.114 -12.069 4.678 1.00 73.40 H new ATOM 0 HG21 ILE A 56 1.430 -8.949 5.861 1.00 24.10 H new ATOM 0 HG22 ILE A 56 2.535 -7.923 4.915 1.00 24.10 H new ATOM 0 HG23 ILE A 56 1.481 -9.095 4.088 1.00 24.10 H new ATOM 0 HD11 ILE A 56 2.017 -12.810 6.736 1.00 2.54 H new ATOM 0 HD12 ILE A 56 3.478 -11.866 7.113 1.00 2.54 H new ATOM 0 HD13 ILE A 56 1.870 -11.123 7.281 1.00 2.54 H new ATOM 854 N ARG A 57 5.946 -8.509 4.499 1.00 0.11 N ATOM 855 CA ARG A 57 6.728 -7.279 4.537 1.00 71.30 C ATOM 856 C ARG A 57 7.160 -6.866 3.133 1.00 61.40 C ATOM 857 O ARG A 57 6.952 -5.725 2.720 1.00 42.30 O ATOM 858 CB ARG A 57 7.957 -7.458 5.430 1.00 73.20 C ATOM 859 CG ARG A 57 7.731 -7.025 6.869 1.00 4.14 C ATOM 860 CD ARG A 57 8.505 -7.899 7.843 1.00 50.30 C ATOM 861 NE ARG A 57 8.929 -7.157 9.027 1.00 51.30 N ATOM 862 CZ ARG A 57 9.306 -7.732 10.167 1.00 2.44 C ATOM 863 NH1 ARG A 57 9.314 -9.055 10.280 1.00 11.20 N ATOM 864 NH2 ARG A 57 9.678 -6.983 11.196 1.00 24.00 N ATOM 0 H ARG A 57 6.351 -9.283 5.025 1.00 0.11 H new ATOM 0 HA ARG A 57 6.099 -6.491 4.951 1.00 71.30 H new ATOM 0 HB2 ARG A 57 8.256 -8.506 5.417 1.00 73.20 H new ATOM 0 HB3 ARG A 57 8.785 -6.886 5.013 1.00 73.20 H new ATOM 0 HG2 ARG A 57 8.037 -5.986 6.989 1.00 4.14 H new ATOM 0 HG3 ARG A 57 6.667 -7.073 7.102 1.00 4.14 H new ATOM 0 HD2 ARG A 57 7.884 -8.741 8.147 1.00 50.30 H new ATOM 0 HD3 ARG A 57 9.380 -8.313 7.342 1.00 50.30 H new ATOM 0 HE ARG A 57 8.937 -6.138 8.978 1.00 51.30 H new ATOM 0 HH11 ARG A 57 9.030 -9.636 9.491 1.00 11.20 H new ATOM 0 HH12 ARG A 57 9.604 -9.490 11.156 1.00 11.20 H new ATOM 0 HH21 ARG A 57 9.675 -5.966 11.114 1.00 24.00 H new ATOM 0 HH22 ARG A 57 9.967 -7.424 12.069 1.00 24.00 H new ATOM 878 N ALA A 58 7.762 -7.800 2.406 1.00 54.20 N ATOM 879 CA ALA A 58 8.223 -7.533 1.049 1.00 55.40 C ATOM 880 C ALA A 58 7.065 -7.119 0.147 1.00 3.20 C ATOM 881 O ALA A 58 7.244 -6.349 -0.796 1.00 12.30 O ATOM 882 CB ALA A 58 8.926 -8.756 0.480 1.00 40.40 C ATOM 0 H ALA A 58 7.942 -8.749 2.734 1.00 54.20 H new ATOM 0 HA ALA A 58 8.932 -6.706 1.089 1.00 55.40 H new ATOM 0 HB1 ALA A 58 9.265 -8.542 -0.534 1.00 40.40 H new ATOM 0 HB2 ALA A 58 9.784 -9.006 1.104 1.00 40.40 H new ATOM 0 HB3 ALA A 58 8.234 -9.598 0.461 1.00 40.40 H new ATOM 888 N LYS A 59 5.876 -7.634 0.445 1.00 33.10 N ATOM 889 CA LYS A 59 4.689 -7.316 -0.338 1.00 41.50 C ATOM 890 C LYS A 59 4.188 -5.911 -0.018 1.00 35.20 C ATOM 891 O LYS A 59 3.619 -5.233 -0.875 1.00 31.00 O ATOM 892 CB LYS A 59 3.583 -8.338 -0.067 1.00 74.30 C ATOM 893 CG LYS A 59 3.843 -9.696 -0.697 1.00 40.00 C ATOM 894 CD LYS A 59 3.312 -9.760 -2.120 1.00 71.50 C ATOM 895 CE LYS A 59 4.238 -10.550 -3.025 1.00 51.20 C ATOM 896 NZ LYS A 59 3.748 -10.590 -4.431 1.00 63.40 N ATOM 0 H LYS A 59 5.710 -8.273 1.223 1.00 33.10 H new ATOM 0 HA LYS A 59 4.959 -7.356 -1.393 1.00 41.50 H new ATOM 0 HB2 LYS A 59 3.470 -8.462 1.010 1.00 74.30 H new ATOM 0 HB3 LYS A 59 2.638 -7.947 -0.444 1.00 74.30 H new ATOM 0 HG2 LYS A 59 4.914 -9.899 -0.698 1.00 40.00 H new ATOM 0 HG3 LYS A 59 3.371 -10.474 -0.096 1.00 40.00 H new ATOM 0 HD2 LYS A 59 2.323 -10.219 -2.120 1.00 71.50 H new ATOM 0 HD3 LYS A 59 3.194 -8.749 -2.511 1.00 71.50 H new ATOM 0 HE2 LYS A 59 5.233 -10.106 -3.001 1.00 51.20 H new ATOM 0 HE3 LYS A 59 4.334 -11.567 -2.646 1.00 51.20 H new ATOM 0 HZ1 LYS A 59 4.411 -11.140 -5.014 1.00 63.40 H new ATOM 0 HZ2 LYS A 59 2.809 -11.037 -4.459 1.00 63.40 H new ATOM 0 HZ3 LYS A 59 3.681 -9.621 -4.803 1.00 63.40 H new ATOM 910 N CYS A 60 4.404 -5.479 1.220 1.00 34.10 N ATOM 911 CA CYS A 60 3.975 -4.155 1.654 1.00 11.40 C ATOM 912 C CYS A 60 4.979 -3.089 1.226 1.00 51.30 C ATOM 913 O CYS A 60 4.600 -2.030 0.727 1.00 70.30 O ATOM 914 CB CYS A 60 3.799 -4.125 3.173 1.00 61.20 C ATOM 915 SG CYS A 60 2.620 -5.343 3.803 1.00 24.10 S ATOM 0 H CYS A 60 4.874 -6.027 1.941 1.00 34.10 H new ATOM 0 HA CYS A 60 3.018 -3.938 1.180 1.00 11.40 H new ATOM 0 HB2 CYS A 60 4.767 -4.295 3.644 1.00 61.20 H new ATOM 0 HB3 CYS A 60 3.470 -3.129 3.470 1.00 61.20 H new ATOM 0 HG CYS A 60 3.003 -6.536 3.458 1.00 24.10 H new ATOM 921 N VAL A 61 6.262 -3.377 1.425 1.00 71.40 N ATOM 922 CA VAL A 61 7.320 -2.442 1.059 1.00 53.30 C ATOM 923 C VAL A 61 7.269 -2.110 -0.429 1.00 72.30 C ATOM 924 O VAL A 61 7.488 -0.966 -0.828 1.00 1.12 O ATOM 925 CB VAL A 61 8.713 -3.004 1.407 1.00 22.10 C ATOM 926 CG1 VAL A 61 8.989 -4.280 0.626 1.00 73.10 C ATOM 927 CG2 VAL A 61 9.791 -1.964 1.142 1.00 10.30 C ATOM 0 H VAL A 61 6.593 -4.249 1.837 1.00 71.40 H new ATOM 0 HA VAL A 61 7.153 -1.532 1.635 1.00 53.30 H new ATOM 0 HB VAL A 61 8.729 -3.248 2.469 1.00 22.10 H new ATOM 0 HG11 VAL A 61 9.977 -4.660 0.887 1.00 73.10 H new ATOM 0 HG12 VAL A 61 8.236 -5.028 0.873 1.00 73.10 H new ATOM 0 HG13 VAL A 61 8.952 -4.068 -0.443 1.00 73.10 H new ATOM 0 HG21 VAL A 61 10.767 -2.379 1.394 1.00 10.30 H new ATOM 0 HG22 VAL A 61 9.776 -1.685 0.088 1.00 10.30 H new ATOM 0 HG23 VAL A 61 9.604 -1.082 1.754 1.00 10.30 H new ATOM 937 N GLN A 62 6.979 -3.118 -1.245 1.00 0.24 N ATOM 938 CA GLN A 62 6.899 -2.933 -2.689 1.00 30.40 C ATOM 939 C GLN A 62 5.638 -2.164 -3.070 1.00 0.44 C ATOM 940 O GLN A 62 5.671 -1.287 -3.933 1.00 43.20 O ATOM 941 CB GLN A 62 6.917 -4.288 -3.400 1.00 1.34 C ATOM 942 CG GLN A 62 7.640 -4.264 -4.737 1.00 25.00 C ATOM 943 CD GLN A 62 6.935 -5.088 -5.796 1.00 73.30 C ATOM 944 OE1 GLN A 62 7.120 -6.302 -5.880 1.00 62.50 O ATOM 945 NE2 GLN A 62 6.120 -4.430 -6.612 1.00 72.20 N ATOM 0 H GLN A 62 6.796 -4.071 -0.931 1.00 0.24 H new ATOM 0 HA GLN A 62 7.766 -2.353 -3.004 1.00 30.40 H new ATOM 0 HB2 GLN A 62 7.394 -5.023 -2.752 1.00 1.34 H new ATOM 0 HB3 GLN A 62 5.891 -4.620 -3.557 1.00 1.34 H new ATOM 0 HG2 GLN A 62 7.725 -3.233 -5.081 1.00 25.00 H new ATOM 0 HG3 GLN A 62 8.654 -4.641 -4.604 1.00 25.00 H new ATOM 0 HE21 GLN A 62 5.996 -3.423 -6.506 1.00 72.20 H new ATOM 0 HE22 GLN A 62 5.618 -4.931 -7.344 1.00 72.20 H new ATOM 954 N TYR A 63 4.529 -2.497 -2.419 1.00 72.50 N ATOM 955 CA TYR A 63 3.257 -1.837 -2.689 1.00 55.40 C ATOM 956 C TYR A 63 3.280 -0.392 -2.201 1.00 14.10 C ATOM 957 O TYR A 63 2.633 0.480 -2.781 1.00 13.30 O ATOM 958 CB TYR A 63 2.111 -2.596 -2.016 1.00 73.20 C ATOM 959 CG TYR A 63 1.485 -3.654 -2.897 1.00 4.23 C ATOM 960 CD1 TYR A 63 1.179 -3.386 -4.226 1.00 43.10 C ATOM 961 CD2 TYR A 63 1.200 -4.919 -2.400 1.00 65.40 C ATOM 962 CE1 TYR A 63 0.607 -4.350 -5.034 1.00 31.30 C ATOM 963 CE2 TYR A 63 0.628 -5.889 -3.202 1.00 53.30 C ATOM 964 CZ TYR A 63 0.333 -5.599 -4.518 1.00 35.40 C ATOM 965 OH TYR A 63 -0.236 -6.561 -5.320 1.00 42.40 O ATOM 0 H TYR A 63 4.485 -3.220 -1.701 1.00 72.50 H new ATOM 0 HA TYR A 63 3.099 -1.836 -3.767 1.00 55.40 H new ATOM 0 HB2 TYR A 63 2.483 -3.067 -1.106 1.00 73.20 H new ATOM 0 HB3 TYR A 63 1.342 -1.884 -1.715 1.00 73.20 H new ATOM 0 HD1 TYR A 63 1.392 -2.409 -4.634 1.00 43.10 H new ATOM 0 HD2 TYR A 63 1.429 -5.149 -1.370 1.00 65.40 H new ATOM 0 HE1 TYR A 63 0.376 -4.126 -6.065 1.00 31.30 H new ATOM 0 HE2 TYR A 63 0.413 -6.868 -2.800 1.00 53.30 H new ATOM 0 HH TYR A 63 -0.363 -7.384 -4.804 1.00 42.40 H new ATOM 975 N LEU A 64 4.031 -0.146 -1.132 1.00 52.40 N ATOM 976 CA LEU A 64 4.139 1.194 -0.567 1.00 3.30 C ATOM 977 C LEU A 64 4.807 2.148 -1.552 1.00 32.20 C ATOM 978 O LEU A 64 4.306 3.243 -1.809 1.00 23.20 O ATOM 979 CB LEU A 64 4.931 1.157 0.741 1.00 70.00 C ATOM 980 CG LEU A 64 4.467 2.150 1.808 1.00 54.40 C ATOM 981 CD1 LEU A 64 4.445 3.563 1.247 1.00 51.50 C ATOM 982 CD2 LEU A 64 3.094 1.762 2.335 1.00 44.20 C ATOM 0 H LEU A 64 4.573 -0.856 -0.640 1.00 52.40 H new ATOM 0 HA LEU A 64 3.132 1.557 -0.364 1.00 3.30 H new ATOM 0 HB2 LEU A 64 4.874 0.150 1.154 1.00 70.00 H new ATOM 0 HB3 LEU A 64 5.980 1.351 0.518 1.00 70.00 H new ATOM 0 HG LEU A 64 5.174 2.121 2.637 1.00 54.40 H new ATOM 0 HD11 LEU A 64 4.113 4.256 2.020 1.00 51.50 H new ATOM 0 HD12 LEU A 64 5.447 3.840 0.918 1.00 51.50 H new ATOM 0 HD13 LEU A 64 3.760 3.608 0.400 1.00 51.50 H new ATOM 0 HD21 LEU A 64 2.779 2.479 3.093 1.00 44.20 H new ATOM 0 HD22 LEU A 64 2.376 1.762 1.515 1.00 44.20 H new ATOM 0 HD23 LEU A 64 3.141 0.766 2.775 1.00 44.20 H new ATOM 994 N ASP A 65 5.940 1.724 -2.102 1.00 15.20 N ATOM 995 CA ASP A 65 6.677 2.540 -3.060 1.00 2.24 C ATOM 996 C ASP A 65 5.823 2.842 -4.287 1.00 51.10 C ATOM 997 O ASP A 65 5.881 3.939 -4.842 1.00 33.30 O ATOM 998 CB ASP A 65 7.965 1.831 -3.482 1.00 11.50 C ATOM 999 CG ASP A 65 9.103 2.800 -3.734 1.00 11.00 C ATOM 1000 OD1 ASP A 65 9.396 3.618 -2.837 1.00 14.30 O ATOM 1001 OD2 ASP A 65 9.701 2.741 -4.829 1.00 5.43 O ATOM 0 H ASP A 65 6.368 0.820 -1.901 1.00 15.20 H new ATOM 0 HA ASP A 65 6.932 3.483 -2.576 1.00 2.24 H new ATOM 0 HB2 ASP A 65 8.258 1.124 -2.706 1.00 11.50 H new ATOM 0 HB3 ASP A 65 7.778 1.252 -4.386 1.00 11.50 H new ATOM 1006 N ARG A 66 5.031 1.860 -4.706 1.00 52.40 N ATOM 1007 CA ARG A 66 4.165 2.020 -5.868 1.00 3.24 C ATOM 1008 C ARG A 66 3.021 2.983 -5.564 1.00 23.30 C ATOM 1009 O ARG A 66 2.545 3.695 -6.448 1.00 23.30 O ATOM 1010 CB ARG A 66 3.605 0.665 -6.304 1.00 3.34 C ATOM 1011 CG ARG A 66 3.399 0.546 -7.805 1.00 31.30 C ATOM 1012 CD ARG A 66 1.945 0.772 -8.189 1.00 43.50 C ATOM 1013 NE ARG A 66 1.238 -0.485 -8.421 1.00 11.00 N ATOM 1014 CZ ARG A 66 1.525 -1.325 -9.413 1.00 71.50 C ATOM 1015 NH1 ARG A 66 2.503 -1.046 -10.260 1.00 13.30 N ATOM 1016 NH2 ARG A 66 0.833 -2.447 -9.552 1.00 32.10 N ATOM 0 H ARG A 66 4.971 0.946 -4.258 1.00 52.40 H new ATOM 0 HA ARG A 66 4.761 2.436 -6.680 1.00 3.24 H new ATOM 0 HB2 ARG A 66 4.284 -0.122 -5.975 1.00 3.34 H new ATOM 0 HB3 ARG A 66 2.653 0.496 -5.801 1.00 3.34 H new ATOM 0 HG2 ARG A 66 4.029 1.273 -8.318 1.00 31.30 H new ATOM 0 HG3 ARG A 66 3.715 -0.442 -8.139 1.00 31.30 H new ATOM 0 HD2 ARG A 66 1.444 1.329 -7.398 1.00 43.50 H new ATOM 0 HD3 ARG A 66 1.899 1.385 -9.089 1.00 43.50 H new ATOM 0 HE ARG A 66 0.480 -0.734 -7.786 1.00 11.00 H new ATOM 0 HH11 ARG A 66 3.040 -0.185 -10.154 1.00 13.30 H new ATOM 0 HH12 ARG A 66 2.720 -1.692 -11.019 1.00 13.30 H new ATOM 0 HH21 ARG A 66 0.081 -2.667 -8.899 1.00 32.10 H new ATOM 0 HH22 ARG A 66 1.053 -3.091 -10.312 1.00 32.10 H new ATOM 1030 N ALA A 67 2.585 2.998 -4.309 1.00 54.00 N ATOM 1031 CA ALA A 67 1.497 3.872 -3.888 1.00 64.40 C ATOM 1032 C ALA A 67 1.883 5.340 -4.040 1.00 2.32 C ATOM 1033 O ALA A 67 1.212 6.099 -4.738 1.00 13.20 O ATOM 1034 CB ALA A 67 1.108 3.573 -2.448 1.00 51.00 C ATOM 0 H ALA A 67 2.969 2.414 -3.566 1.00 54.00 H new ATOM 0 HA ALA A 67 0.639 3.680 -4.532 1.00 64.40 H new ATOM 0 HB1 ALA A 67 0.294 4.233 -2.146 1.00 51.00 H new ATOM 0 HB2 ALA A 67 0.783 2.536 -2.367 1.00 51.00 H new ATOM 0 HB3 ALA A 67 1.967 3.736 -1.798 1.00 51.00 H new ATOM 1040 N GLU A 68 2.970 5.732 -3.382 1.00 71.20 N ATOM 1041 CA GLU A 68 3.445 7.109 -3.445 1.00 2.44 C ATOM 1042 C GLU A 68 3.747 7.517 -4.883 1.00 21.20 C ATOM 1043 O GLU A 68 3.604 8.683 -5.252 1.00 11.10 O ATOM 1044 CB GLU A 68 4.697 7.279 -2.581 1.00 60.40 C ATOM 1045 CG GLU A 68 5.835 6.350 -2.970 1.00 23.40 C ATOM 1046 CD GLU A 68 6.586 6.830 -4.197 1.00 50.30 C ATOM 1047 OE1 GLU A 68 6.484 8.031 -4.523 1.00 75.10 O ATOM 1048 OE2 GLU A 68 7.275 6.004 -4.832 1.00 64.20 O ATOM 0 H GLU A 68 3.537 5.116 -2.800 1.00 71.20 H new ATOM 0 HA GLU A 68 2.656 7.756 -3.062 1.00 2.44 H new ATOM 0 HB2 GLU A 68 5.041 8.311 -2.653 1.00 60.40 H new ATOM 0 HB3 GLU A 68 4.435 7.102 -1.538 1.00 60.40 H new ATOM 0 HG2 GLU A 68 6.530 6.263 -2.135 1.00 23.40 H new ATOM 0 HG3 GLU A 68 5.437 5.353 -3.159 1.00 23.40 H new ATOM 1055 N LYS A 69 4.166 6.549 -5.692 1.00 0.22 N ATOM 1056 CA LYS A 69 4.487 6.807 -7.091 1.00 73.30 C ATOM 1057 C LYS A 69 3.237 7.202 -7.871 1.00 44.20 C ATOM 1058 O LYS A 69 3.307 7.983 -8.820 1.00 43.30 O ATOM 1059 CB LYS A 69 5.130 5.573 -7.725 1.00 2.44 C ATOM 1060 CG LYS A 69 5.612 5.801 -9.148 1.00 45.20 C ATOM 1061 CD LYS A 69 6.930 6.558 -9.174 1.00 4.31 C ATOM 1062 CE LYS A 69 7.812 6.101 -10.320 1.00 21.00 C ATOM 1063 NZ LYS A 69 8.829 5.107 -9.885 1.00 33.00 N ATOM 0 H LYS A 69 4.291 5.579 -5.403 1.00 0.22 H new ATOM 0 HA LYS A 69 5.194 7.635 -7.129 1.00 73.30 H new ATOM 0 HB2 LYS A 69 5.973 5.257 -7.111 1.00 2.44 H new ATOM 0 HB3 LYS A 69 4.409 4.756 -7.721 1.00 2.44 H new ATOM 0 HG2 LYS A 69 5.732 4.841 -9.651 1.00 45.20 H new ATOM 0 HG3 LYS A 69 4.859 6.360 -9.703 1.00 45.20 H new ATOM 0 HD2 LYS A 69 6.735 7.626 -9.267 1.00 4.31 H new ATOM 0 HD3 LYS A 69 7.454 6.411 -8.230 1.00 4.31 H new ATOM 0 HE2 LYS A 69 7.191 5.664 -11.102 1.00 21.00 H new ATOM 0 HE3 LYS A 69 8.314 6.964 -10.756 1.00 21.00 H new ATOM 0 HZ1 LYS A 69 9.408 4.823 -10.701 1.00 33.00 H new ATOM 0 HZ2 LYS A 69 9.439 5.531 -9.157 1.00 33.00 H new ATOM 0 HZ3 LYS A 69 8.351 4.271 -9.492 1.00 33.00 H new ATOM 1077 N LEU A 70 2.095 6.657 -7.465 1.00 50.30 N ATOM 1078 CA LEU A 70 0.829 6.952 -8.126 1.00 10.10 C ATOM 1079 C LEU A 70 0.314 8.330 -7.724 1.00 2.53 C ATOM 1080 O LEU A 70 -0.050 9.140 -8.576 1.00 43.50 O ATOM 1081 CB LEU A 70 -0.211 5.884 -7.782 1.00 43.40 C ATOM 1082 CG LEU A 70 -0.278 4.707 -8.757 1.00 42.30 C ATOM 1083 CD1 LEU A 70 1.015 3.908 -8.718 1.00 43.50 C ATOM 1084 CD2 LEU A 70 -1.468 3.816 -8.434 1.00 62.00 C ATOM 0 H LEU A 70 2.020 6.009 -6.681 1.00 50.30 H new ATOM 0 HA LEU A 70 1.000 6.948 -9.203 1.00 10.10 H new ATOM 0 HB2 LEU A 70 0.003 5.498 -6.785 1.00 43.40 H new ATOM 0 HB3 LEU A 70 -1.193 6.356 -7.738 1.00 43.40 H new ATOM 0 HG LEU A 70 -0.407 5.101 -9.765 1.00 42.30 H new ATOM 0 HD11 LEU A 70 0.949 3.075 -9.418 1.00 43.50 H new ATOM 0 HD12 LEU A 70 1.849 4.552 -8.998 1.00 43.50 H new ATOM 0 HD13 LEU A 70 1.175 3.524 -7.711 1.00 43.50 H new ATOM 0 HD21 LEU A 70 -1.501 2.984 -9.137 1.00 62.00 H new ATOM 0 HD22 LEU A 70 -1.369 3.430 -7.419 1.00 62.00 H new ATOM 0 HD23 LEU A 70 -2.388 4.395 -8.514 1.00 62.00 H new ATOM 1096 N LYS A 71 0.288 8.589 -6.421 1.00 33.30 N ATOM 1097 CA LYS A 71 -0.182 9.870 -5.906 1.00 62.40 C ATOM 1098 C LYS A 71 0.671 11.017 -6.438 1.00 53.20 C ATOM 1099 O LYS A 71 0.181 12.130 -6.630 1.00 4.31 O ATOM 1100 CB LYS A 71 -0.158 9.868 -4.376 1.00 15.30 C ATOM 1101 CG LYS A 71 -0.953 11.003 -3.754 1.00 72.40 C ATOM 1102 CD LYS A 71 -2.423 10.642 -3.614 1.00 74.30 C ATOM 1103 CE LYS A 71 -3.241 11.175 -4.779 1.00 20.40 C ATOM 1104 NZ LYS A 71 -3.902 12.468 -4.450 1.00 31.40 N ATOM 0 H LYS A 71 0.587 7.929 -5.703 1.00 33.30 H new ATOM 0 HA LYS A 71 -1.207 10.016 -6.246 1.00 62.40 H new ATOM 0 HB2 LYS A 71 -0.554 8.918 -4.016 1.00 15.30 H new ATOM 0 HB3 LYS A 71 0.876 9.931 -4.037 1.00 15.30 H new ATOM 0 HG2 LYS A 71 -0.541 11.243 -2.774 1.00 72.40 H new ATOM 0 HG3 LYS A 71 -0.854 11.898 -4.369 1.00 72.40 H new ATOM 0 HD2 LYS A 71 -2.529 9.559 -3.559 1.00 74.30 H new ATOM 0 HD3 LYS A 71 -2.811 11.048 -2.680 1.00 74.30 H new ATOM 0 HE2 LYS A 71 -2.594 11.309 -5.646 1.00 20.40 H new ATOM 0 HE3 LYS A 71 -3.998 10.441 -5.057 1.00 20.40 H new ATOM 0 HZ1 LYS A 71 -4.449 12.797 -5.271 1.00 31.40 H new ATOM 0 HZ2 LYS A 71 -4.540 12.335 -3.639 1.00 31.40 H new ATOM 0 HZ3 LYS A 71 -3.179 13.176 -4.210 1.00 31.40 H new ATOM 1118 N ASP A 72 1.948 10.737 -6.674 1.00 30.30 N ATOM 1119 CA ASP A 72 2.870 11.746 -7.184 1.00 23.40 C ATOM 1120 C ASP A 72 2.676 11.951 -8.683 1.00 20.20 C ATOM 1121 O ASP A 72 2.876 13.050 -9.200 1.00 42.50 O ATOM 1122 CB ASP A 72 4.316 11.339 -6.896 1.00 23.20 C ATOM 1123 CG ASP A 72 5.248 12.532 -6.817 1.00 52.10 C ATOM 1124 OD1 ASP A 72 4.794 13.612 -6.383 1.00 1.12 O ATOM 1125 OD2 ASP A 72 6.431 12.386 -7.189 1.00 33.50 O ATOM 0 H ASP A 72 2.368 9.820 -6.521 1.00 30.30 H new ATOM 0 HA ASP A 72 2.657 12.687 -6.676 1.00 23.40 H new ATOM 0 HB2 ASP A 72 4.355 10.788 -5.956 1.00 23.20 H new ATOM 0 HB3 ASP A 72 4.662 10.662 -7.677 1.00 23.20 H new ATOM 1130 N TYR A 73 2.286 10.886 -9.376 1.00 41.30 N ATOM 1131 CA TYR A 73 2.065 10.950 -10.810 1.00 42.20 C ATOM 1132 C TYR A 73 0.900 11.877 -11.140 1.00 23.30 C ATOM 1133 O TYR A 73 0.954 12.636 -12.110 1.00 23.50 O ATOM 1134 CB TYR A 73 1.793 9.551 -11.370 1.00 52.30 C ATOM 1135 CG TYR A 73 1.595 9.524 -12.870 1.00 31.10 C ATOM 1136 CD1 TYR A 73 2.681 9.449 -13.730 1.00 3.12 C ATOM 1137 CD2 TYR A 73 0.321 9.573 -13.420 1.00 51.30 C ATOM 1138 CE1 TYR A 73 2.503 9.424 -15.100 1.00 72.30 C ATOM 1139 CE2 TYR A 73 0.135 9.548 -14.790 1.00 33.20 C ATOM 1140 CZ TYR A 73 1.229 9.474 -15.620 1.00 71.10 C ATOM 1141 OH TYR A 73 1.048 9.449 -16.990 1.00 13.20 O ATOM 0 H TYR A 73 2.117 9.968 -8.964 1.00 41.30 H new ATOM 0 HA TYR A 73 2.967 11.350 -11.273 1.00 42.20 H new ATOM 0 HB2 TYR A 73 2.626 8.897 -11.111 1.00 52.30 H new ATOM 0 HB3 TYR A 73 0.905 9.143 -10.888 1.00 52.30 H new ATOM 0 HD1 TYR A 73 3.680 9.410 -13.323 1.00 3.12 H new ATOM 0 HD2 TYR A 73 -0.538 9.632 -12.768 1.00 51.30 H new ATOM 0 HE1 TYR A 73 3.357 9.366 -15.758 1.00 72.30 H new ATOM 0 HE2 TYR A 73 -0.861 9.586 -15.205 1.00 33.20 H new ATOM 0 HH TYR A 73 0.090 9.490 -17.194 1.00 13.20 H new ATOM 1151 N LEU A 74 -0.152 11.810 -10.330 1.00 12.20 N ATOM 1152 CA LEU A 74 -1.330 12.643 -10.540 1.00 55.20 C ATOM 1153 C LEU A 74 -1.122 14.036 -9.960 1.00 1.22 C ATOM 1154 O LEU A 74 -1.611 15.028 -10.500 1.00 1.22 O ATOM 1155 CB LEU A 74 -2.561 11.990 -9.914 1.00 24.20 C ATOM 1156 CG LEU A 74 -3.129 10.797 -10.680 1.00 34.00 C ATOM 1157 CD1 LEU A 74 -3.782 9.808 -9.734 1.00 55.30 C ATOM 1158 CD2 LEU A 74 -4.125 11.268 -11.730 1.00 24.00 C ATOM 0 H LEU A 74 -0.212 11.188 -9.524 1.00 12.20 H new ATOM 0 HA LEU A 74 -1.489 12.740 -11.614 1.00 55.20 H new ATOM 0 HB2 LEU A 74 -2.306 11.665 -8.905 1.00 24.20 H new ATOM 0 HB3 LEU A 74 -3.342 12.744 -9.818 1.00 24.20 H new ATOM 0 HG LEU A 74 -2.305 10.291 -11.183 1.00 34.00 H new ATOM 0 HD11 LEU A 74 -4.179 8.967 -10.303 1.00 55.30 H new ATOM 0 HD12 LEU A 74 -3.043 9.446 -9.019 1.00 55.30 H new ATOM 0 HD13 LEU A 74 -4.594 10.299 -9.198 1.00 55.30 H new ATOM 0 HD21 LEU A 74 -4.521 10.407 -12.268 1.00 24.00 H new ATOM 0 HD22 LEU A 74 -4.943 11.800 -11.243 1.00 24.00 H new ATOM 0 HD23 LEU A 74 -3.625 11.936 -12.432 1.00 24.00 H new ATOM 1170 N ARG A 75 -0.393 14.102 -8.850 1.00 4.53 N ATOM 1171 CA ARG A 75 -0.120 15.373 -8.190 1.00 14.10 C ATOM 1172 C ARG A 75 0.713 16.284 -9.087 1.00 24.00 C ATOM 1173 O ARG A 75 0.575 17.507 -9.046 1.00 14.40 O ATOM 1174 CB ARG A 75 0.609 15.138 -6.866 1.00 44.20 C ATOM 1175 CG ARG A 75 0.668 16.370 -5.977 1.00 63.20 C ATOM 1176 CD ARG A 75 0.589 16.000 -4.505 1.00 13.50 C ATOM 1177 NE ARG A 75 1.770 15.264 -4.061 1.00 74.10 N ATOM 1178 CZ ARG A 75 2.936 15.838 -3.773 1.00 31.50 C ATOM 1179 NH1 ARG A 75 3.081 17.153 -3.881 1.00 33.10 N ATOM 1180 NH2 ARG A 75 3.960 15.096 -3.376 1.00 31.20 N ATOM 0 H ARG A 75 0.019 13.290 -8.389 1.00 4.53 H new ATOM 0 HA ARG A 75 -1.073 15.862 -7.990 1.00 14.10 H new ATOM 0 HB2 ARG A 75 0.112 14.333 -6.325 1.00 44.20 H new ATOM 0 HB3 ARG A 75 1.625 14.802 -7.075 1.00 44.20 H new ATOM 0 HG2 ARG A 75 1.594 16.913 -6.167 1.00 63.20 H new ATOM 0 HG3 ARG A 75 -0.153 17.041 -6.229 1.00 63.20 H new ATOM 0 HD2 ARG A 75 0.481 16.906 -3.909 1.00 13.50 H new ATOM 0 HD3 ARG A 75 -0.301 15.396 -4.330 1.00 13.50 H new ATOM 0 HE ARG A 75 1.697 14.251 -3.966 1.00 74.10 H new ATOM 0 HH11 ARG A 75 2.297 17.729 -4.186 1.00 33.10 H new ATOM 0 HH12 ARG A 75 3.977 17.587 -3.659 1.00 33.10 H new ATOM 0 HH21 ARG A 75 3.855 14.085 -3.291 1.00 31.20 H new ATOM 0 HH22 ARG A 75 4.853 15.536 -3.155 1.00 31.20 H new TER 1194 ARG A 75 ATOM 1195 N GLU B 115 10.069 -3.168 8.497 1.00 32.20 N ATOM 1196 CA GLU B 115 8.678 -2.731 8.518 1.00 31.50 C ATOM 1197 C GLU B 115 8.580 -1.231 8.780 1.00 13.00 C ATOM 1198 O GLU B 115 7.658 -0.567 8.307 1.00 2.32 O ATOM 1199 CB GLU B 115 7.896 -3.498 9.586 1.00 42.00 C ATOM 1200 CG GLU B 115 6.466 -3.818 9.182 1.00 71.00 C ATOM 1201 CD GLU B 115 5.484 -3.636 10.322 1.00 71.50 C ATOM 1202 OE1 GLU B 115 5.810 -4.043 11.457 1.00 5.41 O ATOM 1203 OE2 GLU B 115 4.389 -3.085 10.080 1.00 3.02 O ATOM 0 HA GLU B 115 8.245 -2.939 7.540 1.00 31.50 H new ATOM 0 HB2 GLU B 115 8.418 -4.428 9.809 1.00 42.00 H new ATOM 0 HB3 GLU B 115 7.882 -2.912 10.505 1.00 42.00 H new ATOM 0 HG2 GLU B 115 6.175 -3.176 8.351 1.00 71.00 H new ATOM 0 HG3 GLU B 115 6.415 -4.846 8.824 1.00 71.00 H new ATOM 1210 N ASP B 116 9.537 -0.704 9.537 1.00 11.40 N ATOM 1211 CA ASP B 116 9.559 0.718 9.862 1.00 44.30 C ATOM 1212 C ASP B 116 9.759 1.562 8.607 1.00 75.50 C ATOM 1213 O ASP B 116 9.276 2.691 8.524 1.00 54.10 O ATOM 1214 CB ASP B 116 10.669 1.014 10.872 1.00 75.20 C ATOM 1215 CG ASP B 116 12.046 0.682 10.332 1.00 31.50 C ATOM 1216 OD1 ASP B 116 12.441 1.276 9.307 1.00 63.00 O ATOM 1217 OD2 ASP B 116 12.730 -0.172 10.935 1.00 12.30 O ATOM 0 H ASP B 116 10.307 -1.240 9.937 1.00 11.40 H new ATOM 0 HA ASP B 116 8.597 0.979 10.302 1.00 44.30 H new ATOM 0 HB2 ASP B 116 10.634 2.068 11.147 1.00 75.20 H new ATOM 0 HB3 ASP B 116 10.491 0.441 11.782 1.00 75.20 H new ATOM 1222 N GLN B 117 10.474 1.007 7.634 1.00 31.40 N ATOM 1223 CA GLN B 117 10.737 1.710 6.383 1.00 52.40 C ATOM 1224 C GLN B 117 9.435 2.064 5.672 1.00 22.50 C ATOM 1225 O GLN B 117 9.142 3.237 5.438 1.00 3.20 O ATOM 1226 CB GLN B 117 11.615 0.855 5.468 1.00 3.22 C ATOM 1227 CG GLN B 117 13.049 0.720 5.954 1.00 23.10 C ATOM 1228 CD GLN B 117 13.728 -0.529 5.427 1.00 10.00 C ATOM 1229 OE1 GLN B 117 14.449 -1.212 6.155 1.00 2.42 O ATOM 1230 NE2 GLN B 117 13.501 -0.834 4.155 1.00 2.10 N ATOM 0 H GLN B 117 10.881 0.073 7.687 1.00 31.40 H new ATOM 0 HA GLN B 117 11.263 2.635 6.620 1.00 52.40 H new ATOM 0 HB2 GLN B 117 11.175 -0.138 5.380 1.00 3.22 H new ATOM 0 HB3 GLN B 117 11.618 1.292 4.469 1.00 3.22 H new ATOM 0 HG2 GLN B 117 13.618 1.597 5.644 1.00 23.10 H new ATOM 0 HG3 GLN B 117 13.059 0.702 7.044 1.00 23.10 H new ATOM 0 HE21 GLN B 117 12.896 -0.240 3.588 1.00 2.10 H new ATOM 0 HE22 GLN B 117 13.931 -1.663 3.745 1.00 2.10 H new ATOM 1239 N LEU B 118 8.657 1.042 5.330 1.00 75.10 N ATOM 1240 CA LEU B 118 7.385 1.246 4.646 1.00 5.13 C ATOM 1241 C LEU B 118 6.334 1.800 5.602 1.00 42.20 C ATOM 1242 O LEU B 118 5.446 2.550 5.197 1.00 43.10 O ATOM 1243 CB LEU B 118 6.894 -0.069 4.035 1.00 25.20 C ATOM 1244 CG LEU B 118 6.655 -1.199 5.038 1.00 11.40 C ATOM 1245 CD1 LEU B 118 5.430 -2.011 4.647 1.00 74.50 C ATOM 1246 CD2 LEU B 118 7.881 -2.094 5.134 1.00 70.30 C ATOM 0 H LEU B 118 8.885 0.065 5.515 1.00 75.10 H new ATOM 0 HA LEU B 118 7.543 1.973 3.849 1.00 5.13 H new ATOM 0 HB2 LEU B 118 5.965 0.122 3.498 1.00 25.20 H new ATOM 0 HB3 LEU B 118 7.624 -0.405 3.299 1.00 25.20 H new ATOM 0 HG LEU B 118 6.474 -0.757 6.018 1.00 11.40 H new ATOM 0 HD11 LEU B 118 5.276 -2.810 5.372 1.00 74.50 H new ATOM 0 HD12 LEU B 118 4.554 -1.363 4.630 1.00 74.50 H new ATOM 0 HD13 LEU B 118 5.581 -2.443 3.658 1.00 74.50 H new ATOM 0 HD21 LEU B 118 7.693 -2.892 5.852 1.00 70.30 H new ATOM 0 HD22 LEU B 118 8.093 -2.527 4.156 1.00 70.30 H new ATOM 0 HD23 LEU B 118 8.737 -1.505 5.462 1.00 70.30 H new ATOM 1258 N SER B 119 6.441 1.425 6.873 1.00 4.21 N ATOM 1259 CA SER B 119 5.500 1.885 7.887 1.00 63.20 C ATOM 1260 C SER B 119 5.529 3.406 8.007 1.00 21.50 C ATOM 1261 O SER B 119 4.495 4.043 8.206 1.00 15.30 O ATOM 1262 CB SER B 119 5.823 1.249 9.240 1.00 4.13 C ATOM 1263 OG SER B 119 4.960 1.736 10.253 1.00 23.10 O ATOM 0 H SER B 119 7.170 0.804 7.225 1.00 4.21 H new ATOM 0 HA SER B 119 4.499 1.582 7.581 1.00 63.20 H new ATOM 0 HB2 SER B 119 5.728 0.166 9.168 1.00 4.13 H new ATOM 0 HB3 SER B 119 6.858 1.461 9.507 1.00 4.13 H new ATOM 0 HG SER B 119 5.187 1.313 11.107 1.00 23.10 H new ATOM 1269 N ARG B 120 6.721 3.981 7.883 1.00 42.40 N ATOM 1270 CA ARG B 120 6.885 5.427 7.978 1.00 30.40 C ATOM 1271 C ARG B 120 6.371 6.116 6.718 1.00 75.30 C ATOM 1272 O ARG B 120 5.660 7.118 6.793 1.00 33.40 O ATOM 1273 CB ARG B 120 8.357 5.780 8.202 1.00 24.00 C ATOM 1274 CG ARG B 120 8.819 5.577 9.636 1.00 72.10 C ATOM 1275 CD ARG B 120 10.301 5.880 9.791 1.00 3.31 C ATOM 1276 NE ARG B 120 11.105 5.220 8.766 1.00 61.30 N ATOM 1277 CZ ARG B 120 12.348 5.580 8.452 1.00 2.11 C ATOM 1278 NH1 ARG B 120 12.931 6.593 9.082 1.00 74.00 N ATOM 1279 NH2 ARG B 120 13.009 4.926 7.507 1.00 74.10 N ATOM 0 H ARG B 120 7.587 3.468 7.717 1.00 42.40 H new ATOM 0 HA ARG B 120 6.300 5.780 8.828 1.00 30.40 H new ATOM 0 HB2 ARG B 120 8.973 5.171 7.541 1.00 24.00 H new ATOM 0 HB3 ARG B 120 8.520 6.820 7.920 1.00 24.00 H new ATOM 0 HG2 ARG B 120 8.243 6.222 10.300 1.00 72.10 H new ATOM 0 HG3 ARG B 120 8.623 4.549 9.941 1.00 72.10 H new ATOM 0 HD2 ARG B 120 10.458 6.957 9.737 1.00 3.31 H new ATOM 0 HD3 ARG B 120 10.636 5.558 10.777 1.00 3.31 H new ATOM 0 HE ARG B 120 10.690 4.437 8.261 1.00 61.30 H new ATOM 0 HH11 ARG B 120 12.427 7.099 9.810 1.00 74.00 H new ATOM 0 HH12 ARG B 120 13.883 6.865 8.838 1.00 74.00 H new ATOM 0 HH21 ARG B 120 12.565 4.147 7.020 1.00 74.10 H new ATOM 0 HH22 ARG B 120 13.961 5.202 7.267 1.00 74.10 H new ATOM 1293 N ARG B 121 6.735 5.572 5.561 1.00 23.40 N ATOM 1294 CA ARG B 121 6.311 6.135 4.285 1.00 11.10 C ATOM 1295 C ARG B 121 4.790 6.134 4.169 1.00 63.50 C ATOM 1296 O ARG B 121 4.205 7.013 3.537 1.00 42.20 O ATOM 1297 CB ARG B 121 6.922 5.344 3.127 1.00 32.40 C ATOM 1298 CG ARG B 121 8.441 5.293 3.160 1.00 1.51 C ATOM 1299 CD ARG B 121 8.984 4.247 2.200 1.00 13.00 C ATOM 1300 NE ARG B 121 10.345 3.842 2.545 1.00 75.30 N ATOM 1301 CZ ARG B 121 10.939 2.752 2.063 1.00 11.50 C ATOM 1302 NH1 ARG B 121 10.296 1.958 1.216 1.00 73.10 N ATOM 1303 NH2 ARG B 121 12.179 2.457 2.428 1.00 1.41 N ATOM 0 H ARG B 121 7.323 4.742 5.481 1.00 23.40 H new ATOM 0 HA ARG B 121 6.661 7.166 4.237 1.00 11.10 H new ATOM 0 HB2 ARG B 121 6.532 4.326 3.147 1.00 32.40 H new ATOM 0 HB3 ARG B 121 6.602 5.789 2.185 1.00 32.40 H new ATOM 0 HG2 ARG B 121 8.845 6.272 2.900 1.00 1.51 H new ATOM 0 HG3 ARG B 121 8.777 5.068 4.172 1.00 1.51 H new ATOM 0 HD2 ARG B 121 8.332 3.373 2.209 1.00 13.00 H new ATOM 0 HD3 ARG B 121 8.970 4.644 1.185 1.00 13.00 H new ATOM 0 HE ARG B 121 10.871 4.429 3.193 1.00 75.30 H new ATOM 0 HH11 ARG B 121 9.342 2.182 0.931 1.00 73.10 H new ATOM 0 HH12 ARG B 121 10.755 1.124 0.850 1.00 73.10 H new ATOM 0 HH21 ARG B 121 12.678 3.065 3.078 1.00 1.41 H new ATOM 0 HH22 ARG B 121 12.634 1.622 2.059 1.00 1.41 H new ATOM 1317 N LEU B 122 4.155 5.141 4.784 1.00 42.40 N ATOM 1318 CA LEU B 122 2.702 5.026 4.751 1.00 72.10 C ATOM 1319 C LEU B 122 2.050 6.117 5.594 1.00 13.30 C ATOM 1320 O LEU B 122 1.067 6.732 5.180 1.00 2.53 O ATOM 1321 CB LEU B 122 2.267 3.648 5.253 1.00 21.10 C ATOM 1322 CG LEU B 122 0.870 3.209 4.810 1.00 51.10 C ATOM 1323 CD1 LEU B 122 0.770 1.692 4.789 1.00 72.40 C ATOM 1324 CD2 LEU B 122 -0.189 3.803 5.725 1.00 3.12 C ATOM 0 H LEU B 122 4.624 4.405 5.311 1.00 42.40 H new ATOM 0 HA LEU B 122 2.376 5.148 3.718 1.00 72.10 H new ATOM 0 HB2 LEU B 122 2.990 2.908 4.909 1.00 21.10 H new ATOM 0 HB3 LEU B 122 2.303 3.647 6.342 1.00 21.10 H new ATOM 0 HG LEU B 122 0.696 3.578 3.799 1.00 51.10 H new ATOM 0 HD11 LEU B 122 -0.230 1.398 4.472 1.00 72.40 H new ATOM 0 HD12 LEU B 122 1.505 1.289 4.093 1.00 72.40 H new ATOM 0 HD13 LEU B 122 0.964 1.301 5.788 1.00 72.40 H new ATOM 0 HD21 LEU B 122 -1.177 3.481 5.396 1.00 3.12 H new ATOM 0 HD22 LEU B 122 -0.019 3.464 6.747 1.00 3.12 H new ATOM 0 HD23 LEU B 122 -0.132 4.891 5.689 1.00 3.12 H new ATOM 1336 N ALA B 123 2.604 6.352 6.779 1.00 12.40 N ATOM 1337 CA ALA B 123 2.077 7.369 7.681 1.00 34.20 C ATOM 1338 C ALA B 123 2.113 8.749 7.033 1.00 65.40 C ATOM 1339 O ALA B 123 1.267 9.598 7.311 1.00 1.24 O ATOM 1340 CB ALA B 123 2.861 7.375 8.984 1.00 34.40 C ATOM 0 H ALA B 123 3.418 5.852 7.137 1.00 12.40 H new ATOM 0 HA ALA B 123 1.037 7.125 7.897 1.00 34.20 H new ATOM 0 HB1 ALA B 123 2.457 8.139 9.648 1.00 34.40 H new ATOM 0 HB2 ALA B 123 2.780 6.399 9.462 1.00 34.40 H new ATOM 0 HB3 ALA B 123 3.909 7.592 8.777 1.00 34.40 H new ATOM 1346 N ALA B 124 3.099 8.966 6.168 1.00 74.40 N ATOM 1347 CA ALA B 124 3.245 10.243 5.481 1.00 4.25 C ATOM 1348 C ALA B 124 2.325 10.321 4.268 1.00 74.20 C ATOM 1349 O ALA B 124 1.856 11.399 3.901 1.00 54.40 O ATOM 1350 CB ALA B 124 4.693 10.454 5.063 1.00 24.50 C ATOM 0 H ALA B 124 3.808 8.274 5.927 1.00 74.40 H new ATOM 0 HA ALA B 124 2.959 11.035 6.173 1.00 4.25 H new ATOM 0 HB1 ALA B 124 4.788 11.412 4.551 1.00 24.50 H new ATOM 0 HB2 ALA B 124 5.331 10.450 5.947 1.00 24.50 H new ATOM 0 HB3 ALA B 124 4.998 9.652 4.392 1.00 24.50 H new ATOM 1356 N LEU B 125 2.071 9.173 3.649 1.00 53.30 N ATOM 1357 CA LEU B 125 1.207 9.112 2.476 1.00 34.50 C ATOM 1358 C LEU B 125 -0.197 9.607 2.808 1.00 32.50 C ATOM 1359 O LEU B 125 -0.731 10.489 2.135 1.00 40.20 O ATOM 1360 CB LEU B 125 1.141 7.681 1.939 1.00 71.40 C ATOM 1361 CG LEU B 125 0.547 7.542 0.536 1.00 22.20 C ATOM 1362 CD1 LEU B 125 1.612 7.788 -0.521 1.00 50.40 C ATOM 1363 CD2 LEU B 125 -0.077 6.167 0.357 1.00 33.50 C ATOM 0 H LEU B 125 2.451 8.272 3.940 1.00 53.30 H new ATOM 0 HA LEU B 125 1.631 9.762 1.710 1.00 34.50 H new ATOM 0 HB2 LEU B 125 2.148 7.265 1.933 1.00 71.40 H new ATOM 0 HB3 LEU B 125 0.551 7.077 2.628 1.00 71.40 H new ATOM 0 HG LEU B 125 -0.234 8.293 0.416 1.00 22.20 H new ATOM 0 HD11 LEU B 125 1.171 7.685 -1.513 1.00 50.40 H new ATOM 0 HD12 LEU B 125 2.014 8.795 -0.405 1.00 50.40 H new ATOM 0 HD13 LEU B 125 2.416 7.061 -0.404 1.00 50.40 H new ATOM 0 HD21 LEU B 125 -0.495 6.085 -0.646 1.00 33.50 H new ATOM 0 HD22 LEU B 125 0.685 5.401 0.496 1.00 33.50 H new ATOM 0 HD23 LEU B 125 -0.869 6.029 1.092 1.00 33.50 H new ATOM 1375 N ARG B 126 -0.790 9.034 3.851 1.00 34.20 N ATOM 1376 CA ARG B 126 -2.132 9.418 4.273 1.00 2.30 C ATOM 1377 C ARG B 126 -2.086 10.627 5.201 1.00 23.00 C ATOM 1378 O ARG B 126 -1.061 10.905 5.824 1.00 52.50 O ATOM 1379 CB ARG B 126 -2.822 8.247 4.975 1.00 22.40 C ATOM 1380 CG ARG B 126 -2.035 7.693 6.151 1.00 62.20 C ATOM 1381 CD ARG B 126 -2.955 7.120 7.217 1.00 50.20 C ATOM 1382 NE ARG B 126 -2.208 6.549 8.335 1.00 41.30 N ATOM 1383 CZ ARG B 126 -2.753 6.239 9.509 1.00 64.40 C ATOM 1384 NH1 ARG B 126 -4.047 6.444 9.723 1.00 15.10 N ATOM 1385 NH2 ARG B 126 -2.002 5.724 10.473 1.00 41.40 N ATOM 0 H ARG B 126 -0.362 8.303 4.419 1.00 34.20 H new ATOM 0 HA ARG B 126 -2.702 9.687 3.384 1.00 2.30 H new ATOM 0 HB2 ARG B 126 -3.802 8.571 5.325 1.00 22.40 H new ATOM 0 HB3 ARG B 126 -2.989 7.449 4.252 1.00 22.40 H new ATOM 0 HG2 ARG B 126 -1.354 6.917 5.801 1.00 62.20 H new ATOM 0 HG3 ARG B 126 -1.422 8.483 6.584 1.00 62.20 H new ATOM 0 HD2 ARG B 126 -3.616 7.905 7.586 1.00 50.20 H new ATOM 0 HD3 ARG B 126 -3.589 6.352 6.774 1.00 50.20 H new ATOM 0 HE ARG B 126 -1.210 6.378 8.209 1.00 41.30 H new ATOM 0 HH11 ARG B 126 -4.629 6.841 8.986 1.00 15.10 H new ATOM 0 HH12 ARG B 126 -4.459 6.204 10.625 1.00 15.10 H new ATOM 0 HH21 ARG B 126 -1.007 5.566 10.315 1.00 41.40 H new ATOM 0 HH22 ARG B 126 -2.419 5.486 11.373 1.00 41.40 H new ATOM 1399 N ASN B 127 -3.203 11.342 5.289 1.00 23.20 N ATOM 1400 CA ASN B 127 -3.290 12.521 6.142 1.00 62.40 C ATOM 1401 C ASN B 127 -3.603 12.130 7.582 1.00 20.20 C ATOM 1402 O ASN B 127 -2.745 12.364 8.459 1.00 11.40 O ATOM 1403 CB ASN B 127 -4.361 13.478 5.617 1.00 64.10 C ATOM 1404 CG ASN B 127 -3.829 14.411 4.546 1.00 42.20 C ATOM 1405 OD1 ASN B 127 -3.492 15.562 4.821 1.00 15.10 O ATOM 1406 ND2 ASN B 127 -3.751 13.916 3.316 1.00 42.40 N ATOM 1407 OXT ASN B 127 -4.705 11.592 7.822 1.00 37.20 O ATOM 0 H ASN B 127 -4.060 11.125 4.780 1.00 23.20 H new ATOM 0 HA ASN B 127 -2.323 13.023 6.124 1.00 62.40 H new ATOM 0 HB2 ASN B 127 -5.193 12.901 5.212 1.00 64.10 H new ATOM 0 HB3 ASN B 127 -4.755 14.067 6.445 1.00 64.10 H new ATOM 0 HD21 ASN B 127 -3.400 14.496 2.554 1.00 42.40 H new ATOM 0 HD22 ASN B 127 -4.042 12.955 3.133 1.00 42.40 H new TER 1414 ASN B 127