USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 693 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= -0.247 X(o=-0.25,f=-0.068) USER MOD Set 1.2: A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -2.61! K(o=-2.6!,f=-1.9) USER MOD Set 2.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 21:sc= 0.206 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.224 K(o=-0.22,f=-2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -3.52 K(o=-3.5,f=-4.1) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.0041) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= -0.998 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.902 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 : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.030 -8.065 8.410 1.00 52.30 N ATOM 2 CA THR A 5 -8.925 -7.171 8.106 1.00 51.50 C ATOM 3 C THR A 5 -8.190 -7.624 6.848 1.00 14.50 C ATOM 4 O THR A 5 -7.813 -6.806 6.009 1.00 20.20 O ATOM 5 CB THR A 5 -7.953 -7.112 9.285 1.00 32.10 C ATOM 6 OG1 THR A 5 -8.647 -6.868 10.495 1.00 63.20 O ATOM 7 CG2 THR A 5 -6.896 -6.039 9.137 1.00 55.30 C ATOM 0 HA THR A 5 -9.332 -6.176 7.929 1.00 51.50 H new ATOM 0 HB THR A 5 -7.460 -8.084 9.302 1.00 32.10 H new ATOM 0 HG1 THR A 5 -9.589 -7.118 10.388 1.00 63.20 H new ATOM 0 HG21 THR A 5 -6.240 -6.052 10.007 1.00 55.30 H new ATOM 0 HG22 THR A 5 -6.309 -6.228 8.238 1.00 55.30 H new ATOM 0 HG23 THR A 5 -7.376 -5.064 9.059 1.00 55.30 H new ATOM 15 N LEU A 6 -7.989 -8.932 6.725 1.00 62.00 N ATOM 16 CA LEU A 6 -7.299 -9.493 5.570 1.00 35.40 C ATOM 17 C LEU A 6 -8.130 -9.319 4.302 1.00 20.00 C ATOM 18 O LEU A 6 -7.633 -8.838 3.284 1.00 13.10 O ATOM 19 CB LEU A 6 -6.999 -10.970 5.800 1.00 40.10 C ATOM 20 CG LEU A 6 -5.601 -11.270 6.341 1.00 52.10 C ATOM 21 CD1 LEU A 6 -4.545 -10.960 5.291 1.00 41.20 C ATOM 22 CD2 LEU A 6 -5.340 -10.480 7.613 1.00 42.10 C ATOM 0 H LEU A 6 -8.294 -9.623 7.411 1.00 62.00 H new ATOM 0 HA LEU A 6 -6.360 -8.955 5.442 1.00 35.40 H new ATOM 0 HB2 LEU A 6 -7.735 -11.370 6.497 1.00 40.10 H new ATOM 0 HB3 LEU A 6 -7.129 -11.503 4.858 1.00 40.10 H new ATOM 0 HG LEU A 6 -5.545 -12.332 6.580 1.00 52.10 H new ATOM 0 HD11 LEU A 6 -3.556 -11.180 5.694 1.00 41.20 H new ATOM 0 HD12 LEU A 6 -4.721 -11.572 4.406 1.00 41.20 H new ATOM 0 HD13 LEU A 6 -4.600 -9.906 5.019 1.00 41.20 H new ATOM 0 HD21 LEU A 6 -4.340 -10.707 7.983 1.00 42.10 H new ATOM 0 HD22 LEU A 6 -5.415 -9.414 7.401 1.00 42.10 H new ATOM 0 HD23 LEU A 6 -6.077 -10.753 8.368 1.00 42.10 H new ATOM 34 N GLN A 7 -9.397 -9.714 4.372 1.00 75.40 N ATOM 35 CA GLN A 7 -10.290 -9.602 3.230 1.00 43.00 C ATOM 36 C GLN A 7 -10.380 -8.159 2.741 1.00 52.10 C ATOM 37 O GLN A 7 -10.450 -7.904 1.538 1.00 63.20 O ATOM 38 CB GLN A 7 -11.690 -10.100 3.603 1.00 64.20 C ATOM 39 CG GLN A 7 -12.580 -10.360 2.402 1.00 13.40 C ATOM 40 CD GLN A 7 -12.380 -11.740 1.807 1.00 20.40 C ATOM 41 OE1 GLN A 7 -12.500 -12.750 2.496 1.00 61.30 O ATOM 42 NE2 GLN A 7 -12.050 -11.790 0.520 1.00 21.20 N ATOM 0 H GLN A 7 -9.826 -10.113 5.207 1.00 75.40 H new ATOM 0 HA GLN A 7 -9.884 -10.218 2.427 1.00 43.00 H new ATOM 0 HB2 GLN A 7 -11.598 -11.019 4.182 1.00 64.20 H new ATOM 0 HB3 GLN A 7 -12.169 -9.363 4.248 1.00 64.20 H new ATOM 0 HG2 GLN A 7 -13.623 -10.245 2.697 1.00 13.40 H new ATOM 0 HG3 GLN A 7 -12.380 -9.608 1.638 1.00 13.40 H new ATOM 0 HE21 GLN A 7 -11.960 -10.928 -0.017 1.00 21.20 H new ATOM 0 HE22 GLN A 7 -11.886 -12.691 0.070 1.00 21.20 H new ATOM 51 N LYS A 8 -10.370 -7.220 3.680 1.00 23.40 N ATOM 52 CA LYS A 8 -10.440 -5.803 3.344 1.00 23.00 C ATOM 53 C LYS A 8 -9.184 -5.350 2.619 1.00 20.00 C ATOM 54 O LYS A 8 -9.227 -4.453 1.778 1.00 21.30 O ATOM 55 CB LYS A 8 -10.650 -4.967 4.610 1.00 0.21 C ATOM 56 CG LYS A 8 -12.110 -4.760 4.975 1.00 70.00 C ATOM 57 CD LYS A 8 -12.630 -3.431 4.455 1.00 52.10 C ATOM 58 CE LYS A 8 -12.960 -3.504 2.973 1.00 34.20 C ATOM 59 NZ LYS A 8 -13.380 -2.182 2.432 1.00 42.30 N ATOM 0 H LYS A 8 -10.314 -7.414 4.680 1.00 23.40 H new ATOM 0 HA LYS A 8 -11.289 -5.656 2.677 1.00 23.00 H new ATOM 0 HB2 LYS A 8 -10.143 -5.453 5.443 1.00 0.21 H new ATOM 0 HB3 LYS A 8 -10.178 -3.994 4.474 1.00 0.21 H new ATOM 0 HG2 LYS A 8 -12.708 -5.573 4.563 1.00 70.00 H new ATOM 0 HG3 LYS A 8 -12.224 -4.798 6.058 1.00 70.00 H new ATOM 0 HD2 LYS A 8 -13.521 -3.144 5.014 1.00 52.10 H new ATOM 0 HD3 LYS A 8 -11.883 -2.655 4.625 1.00 52.10 H new ATOM 0 HE2 LYS A 8 -12.088 -3.861 2.424 1.00 34.20 H new ATOM 0 HE3 LYS A 8 -13.756 -4.231 2.814 1.00 34.20 H new ATOM 0 HZ1 LYS A 8 -13.596 -2.274 1.419 1.00 42.30 H new ATOM 0 HZ2 LYS A 8 -14.227 -1.853 2.938 1.00 42.30 H new ATOM 0 HZ3 LYS A 8 -12.611 -1.494 2.561 1.00 42.30 H new ATOM 73 N ALA A 9 -8.061 -5.979 2.950 1.00 2.14 N ATOM 74 CA ALA A 9 -6.786 -5.641 2.330 1.00 14.40 C ATOM 75 C ALA A 9 -6.756 -6.070 0.867 1.00 61.20 C ATOM 76 O ALA A 9 -6.093 -5.444 0.040 1.00 44.10 O ATOM 77 CB ALA A 9 -5.640 -6.288 3.095 1.00 73.30 C ATOM 0 H ALA A 9 -8.008 -6.725 3.644 1.00 2.14 H new ATOM 0 HA ALA A 9 -6.668 -4.558 2.366 1.00 14.40 H new ATOM 0 HB1 ALA A 9 -4.693 -6.028 2.621 1.00 73.30 H new ATOM 0 HB2 ALA A 9 -5.641 -5.930 4.124 1.00 73.30 H new ATOM 0 HB3 ALA A 9 -5.763 -7.371 3.088 1.00 73.30 H new ATOM 83 N ILE A 10 -7.477 -7.142 0.554 1.00 12.10 N ATOM 84 CA ILE A 10 -7.532 -7.654 -0.810 1.00 42.00 C ATOM 85 C ILE A 10 -8.317 -6.714 -1.718 1.00 24.40 C ATOM 86 O ILE A 10 -7.863 -6.363 -2.807 1.00 63.40 O ATOM 87 CB ILE A 10 -8.175 -9.053 -0.861 1.00 12.30 C ATOM 88 CG1 ILE A 10 -7.557 -9.966 0.199 1.00 34.50 C ATOM 89 CG2 ILE A 10 -8.015 -9.659 -2.248 1.00 63.50 C ATOM 90 CD1 ILE A 10 -6.053 -10.090 0.088 1.00 22.00 C ATOM 0 H ILE A 10 -8.031 -7.673 1.226 1.00 12.10 H new ATOM 0 HA ILE A 10 -6.503 -7.723 -1.163 1.00 42.00 H new ATOM 0 HB ILE A 10 -9.239 -8.953 -0.648 1.00 12.30 H new ATOM 0 HG12 ILE A 10 -7.810 -9.584 1.188 1.00 34.50 H new ATOM 0 HG13 ILE A 10 -8.002 -10.958 0.117 1.00 34.50 H new ATOM 0 HG21 ILE A 10 -8.474 -10.647 -2.268 1.00 63.50 H new ATOM 0 HG22 ILE A 10 -8.501 -9.018 -2.983 1.00 63.50 H new ATOM 0 HG23 ILE A 10 -6.955 -9.746 -2.487 1.00 63.50 H new ATOM 0 HD11 ILE A 10 -5.684 -10.752 0.871 1.00 22.00 H new ATOM 0 HD12 ILE A 10 -5.793 -10.501 -0.887 1.00 22.00 H new ATOM 0 HD13 ILE A 10 -5.598 -9.106 0.200 1.00 22.00 H new ATOM 102 N ASP A 11 -9.499 -6.309 -1.262 1.00 13.50 N ATOM 103 CA ASP A 11 -10.340 -5.410 -2.034 1.00 52.20 C ATOM 104 C ASP A 11 -9.632 -4.093 -2.319 1.00 64.10 C ATOM 105 O ASP A 11 -9.818 -3.490 -3.376 1.00 54.40 O ATOM 106 CB ASP A 11 -11.650 -5.141 -1.285 1.00 30.10 C ATOM 107 CG ASP A 11 -12.840 -5.022 -2.219 1.00 51.50 C ATOM 108 OD1 ASP A 11 -12.990 -3.958 -2.856 1.00 40.10 O ATOM 109 OD2 ASP A 11 -13.620 -5.993 -2.313 1.00 33.30 O ATOM 0 H ASP A 11 -9.892 -6.590 -0.364 1.00 13.50 H new ATOM 0 HA ASP A 11 -10.557 -5.893 -2.987 1.00 52.20 H new ATOM 0 HB2 ASP A 11 -11.830 -5.947 -0.574 1.00 30.10 H new ATOM 0 HB3 ASP A 11 -11.552 -4.222 -0.707 1.00 30.10 H new ATOM 114 N LEU A 12 -8.813 -3.654 -1.370 1.00 72.10 N ATOM 115 CA LEU A 12 -8.069 -2.408 -1.519 1.00 61.30 C ATOM 116 C LEU A 12 -6.976 -2.551 -2.574 1.00 12.50 C ATOM 117 O LEU A 12 -6.914 -1.774 -3.527 1.00 0.14 O ATOM 118 CB LEU A 12 -7.453 -1.993 -0.181 1.00 22.30 C ATOM 119 CG LEU A 12 -8.322 -1.066 0.671 1.00 32.20 C ATOM 120 CD1 LEU A 12 -8.711 0.174 -0.119 1.00 20.40 C ATOM 121 CD2 LEU A 12 -9.561 -1.799 1.161 1.00 23.40 C ATOM 0 H LEU A 12 -8.647 -4.142 -0.490 1.00 72.10 H new ATOM 0 HA LEU A 12 -8.765 -1.635 -1.845 1.00 61.30 H new ATOM 0 HB2 LEU A 12 -7.234 -2.892 0.395 1.00 22.30 H new ATOM 0 HB3 LEU A 12 -6.501 -1.498 -0.374 1.00 22.30 H new ATOM 0 HG LEU A 12 -7.743 -0.752 1.540 1.00 32.20 H new ATOM 0 HD11 LEU A 12 -9.329 0.822 0.502 1.00 20.40 H new ATOM 0 HD12 LEU A 12 -7.811 0.710 -0.420 1.00 20.40 H new ATOM 0 HD13 LEU A 12 -9.272 -0.121 -1.006 1.00 20.40 H new ATOM 0 HD21 LEU A 12 -10.168 -1.125 1.765 1.00 23.40 H new ATOM 0 HD22 LEU A 12 -10.143 -2.142 0.306 1.00 23.40 H new ATOM 0 HD23 LEU A 12 -9.262 -2.656 1.764 1.00 23.40 H new ATOM 133 N VAL A 13 -6.115 -3.548 -2.397 1.00 32.40 N ATOM 134 CA VAL A 13 -5.025 -3.792 -3.332 1.00 54.20 C ATOM 135 C VAL A 13 -5.557 -4.089 -4.731 1.00 12.20 C ATOM 136 O VAL A 13 -4.963 -3.685 -5.731 1.00 24.20 O ATOM 137 CB VAL A 13 -4.139 -4.964 -2.867 1.00 61.10 C ATOM 138 CG1 VAL A 13 -4.945 -6.253 -2.795 1.00 61.20 C ATOM 139 CG2 VAL A 13 -2.939 -5.127 -3.787 1.00 54.10 C ATOM 0 H VAL A 13 -6.152 -4.200 -1.614 1.00 32.40 H new ATOM 0 HA VAL A 13 -4.423 -2.884 -3.363 1.00 54.20 H new ATOM 0 HB VAL A 13 -3.771 -4.738 -1.866 1.00 61.10 H new ATOM 0 HG11 VAL A 13 -4.300 -7.067 -2.465 1.00 61.20 H new ATOM 0 HG12 VAL A 13 -5.765 -6.130 -2.088 1.00 61.20 H new ATOM 0 HG13 VAL A 13 -5.348 -6.486 -3.781 1.00 61.20 H new ATOM 0 HG21 VAL A 13 -2.326 -5.960 -3.442 1.00 54.10 H new ATOM 0 HG22 VAL A 13 -3.283 -5.326 -4.802 1.00 54.10 H new ATOM 0 HG23 VAL A 13 -2.347 -4.212 -3.778 1.00 54.10 H new ATOM 149 N THR A 14 -6.681 -4.796 -4.794 1.00 15.40 N ATOM 150 CA THR A 14 -7.293 -5.146 -6.071 1.00 55.30 C ATOM 151 C THR A 14 -7.654 -3.892 -6.862 1.00 74.50 C ATOM 152 O THR A 14 -7.300 -3.763 -8.034 1.00 53.00 O ATOM 153 CB THR A 14 -8.543 -5.999 -5.845 1.00 75.40 C ATOM 154 OG1 THR A 14 -8.222 -7.178 -5.129 1.00 43.00 O ATOM 155 CG2 THR A 14 -9.225 -6.416 -7.131 1.00 74.20 C ATOM 0 H THR A 14 -7.186 -5.138 -3.976 1.00 15.40 H new ATOM 0 HA THR A 14 -6.569 -5.722 -6.647 1.00 55.30 H new ATOM 0 HB THR A 14 -9.226 -5.365 -5.279 1.00 75.40 H new ATOM 0 HG1 THR A 14 -8.278 -7.002 -4.167 1.00 43.00 H new ATOM 0 HG21 THR A 14 -10.103 -7.018 -6.898 1.00 74.20 H new ATOM 0 HG22 THR A 14 -9.530 -5.528 -7.686 1.00 74.20 H new ATOM 0 HG23 THR A 14 -8.533 -7.002 -7.736 1.00 74.20 H new ATOM 163 N LYS A 15 -8.359 -2.971 -6.213 1.00 71.20 N ATOM 164 CA LYS A 15 -8.766 -1.728 -6.856 1.00 64.20 C ATOM 165 C LYS A 15 -7.550 -0.932 -7.319 1.00 44.40 C ATOM 166 O LYS A 15 -7.606 -0.219 -8.321 1.00 22.30 O ATOM 167 CB LYS A 15 -9.608 -0.885 -5.897 1.00 54.30 C ATOM 168 CG LYS A 15 -11.020 -1.398 -5.721 1.00 31.00 C ATOM 169 CD LYS A 15 -11.980 -0.275 -5.358 1.00 71.30 C ATOM 170 CE LYS A 15 -13.250 -0.811 -4.719 1.00 23.40 C ATOM 171 NZ LYS A 15 -14.120 0.284 -4.205 1.00 71.30 N ATOM 0 H LYS A 15 -8.660 -3.062 -5.243 1.00 71.20 H new ATOM 0 HA LYS A 15 -9.367 -1.980 -7.730 1.00 64.20 H new ATOM 0 HB2 LYS A 15 -9.117 -0.856 -4.924 1.00 54.30 H new ATOM 0 HB3 LYS A 15 -9.646 0.140 -6.265 1.00 54.30 H new ATOM 0 HG2 LYS A 15 -11.351 -1.878 -6.642 1.00 31.00 H new ATOM 0 HG3 LYS A 15 -11.037 -2.159 -4.941 1.00 31.00 H new ATOM 0 HD2 LYS A 15 -11.490 0.416 -4.672 1.00 71.30 H new ATOM 0 HD3 LYS A 15 -12.234 0.292 -6.254 1.00 71.30 H new ATOM 0 HE2 LYS A 15 -13.803 -1.401 -5.450 1.00 23.40 H new ATOM 0 HE3 LYS A 15 -12.989 -1.482 -3.900 1.00 23.40 H new ATOM 0 HZ1 LYS A 15 -14.975 -0.124 -3.777 1.00 71.30 H new ATOM 0 HZ2 LYS A 15 -13.602 0.832 -3.489 1.00 71.30 H new ATOM 0 HZ3 LYS A 15 -14.391 0.910 -4.990 1.00 71.30 H new ATOM 185 N ALA A 16 -6.451 -1.059 -6.582 1.00 54.40 N ATOM 186 CA ALA A 16 -5.221 -0.353 -6.917 1.00 15.20 C ATOM 187 C ALA A 16 -4.593 -0.917 -8.187 1.00 32.40 C ATOM 188 O ALA A 16 -4.069 -0.172 -9.015 1.00 23.20 O ATOM 189 CB ALA A 16 -4.236 -0.432 -5.760 1.00 13.10 C ATOM 0 H ALA A 16 -6.388 -1.644 -5.749 1.00 54.40 H new ATOM 0 HA ALA A 16 -5.469 0.693 -7.099 1.00 15.20 H new ATOM 0 HB1 ALA A 16 -3.322 0.099 -6.024 1.00 13.10 H new ATOM 0 HB2 ALA A 16 -4.678 0.024 -4.874 1.00 13.10 H new ATOM 0 HB3 ALA A 16 -4.002 -1.476 -5.552 1.00 13.10 H new ATOM 195 N THR A 17 -4.651 -2.236 -8.334 1.00 13.10 N ATOM 196 CA THR A 17 -4.089 -2.900 -9.504 1.00 12.00 C ATOM 197 C THR A 17 -4.763 -2.412 -10.780 1.00 10.30 C ATOM 198 O THR A 17 -4.104 -2.196 -11.790 1.00 24.00 O ATOM 199 CB THR A 17 -4.245 -4.417 -9.379 1.00 71.30 C ATOM 200 OG1 THR A 17 -4.385 -4.797 -8.022 1.00 3.33 O ATOM 201 CG2 THR A 17 -3.075 -5.188 -9.952 1.00 41.10 C ATOM 0 H THR A 17 -5.082 -2.866 -7.657 1.00 13.10 H new ATOM 0 HA THR A 17 -3.028 -2.654 -9.557 1.00 12.00 H new ATOM 0 HB THR A 17 -5.139 -4.663 -9.953 1.00 71.30 H new ATOM 0 HG1 THR A 17 -4.485 -5.770 -7.963 1.00 3.33 H new ATOM 0 HG21 THR A 17 -3.249 -6.257 -9.831 1.00 41.10 H new ATOM 0 HG22 THR A 17 -2.970 -4.955 -11.012 1.00 41.10 H new ATOM 0 HG23 THR A 17 -2.162 -4.908 -9.427 1.00 41.10 H new ATOM 209 N GLU A 18 -6.079 -2.239 -10.720 1.00 72.10 N ATOM 210 CA GLU A 18 -6.842 -1.774 -11.870 1.00 62.30 C ATOM 211 C GLU A 18 -6.514 -0.319 -12.190 1.00 75.10 C ATOM 212 O GLU A 18 -6.316 0.046 -13.340 1.00 51.50 O ATOM 213 CB GLU A 18 -8.343 -1.925 -11.610 1.00 23.10 C ATOM 214 CG GLU A 18 -8.723 -3.249 -10.970 1.00 53.30 C ATOM 215 CD GLU A 18 -8.179 -4.444 -11.730 1.00 72.20 C ATOM 216 OE1 GLU A 18 -8.619 -4.671 -12.870 1.00 32.40 O ATOM 217 OE2 GLU A 18 -7.313 -5.154 -11.170 1.00 61.30 O ATOM 0 H GLU A 18 -6.639 -2.414 -9.886 1.00 72.10 H new ATOM 0 HA GLU A 18 -6.566 -2.387 -12.728 1.00 62.30 H new ATOM 0 HB2 GLU A 18 -8.674 -1.112 -10.965 1.00 23.10 H new ATOM 0 HB3 GLU A 18 -8.878 -1.821 -12.554 1.00 23.10 H new ATOM 0 HG2 GLU A 18 -8.349 -3.274 -9.946 1.00 53.30 H new ATOM 0 HG3 GLU A 18 -9.809 -3.323 -10.914 1.00 53.30 H new ATOM 224 N GLU A 19 -6.459 0.508 -11.150 1.00 64.50 N ATOM 225 CA GLU A 19 -6.155 1.925 -11.310 1.00 22.10 C ATOM 226 C GLU A 19 -4.792 2.116 -11.970 1.00 60.30 C ATOM 227 O GLU A 19 -4.669 2.813 -12.980 1.00 52.40 O ATOM 228 CB GLU A 19 -6.184 2.635 -9.962 1.00 32.40 C ATOM 229 CG GLU A 19 -7.569 3.115 -9.557 1.00 42.40 C ATOM 230 CD GLU A 19 -8.602 2.005 -9.586 1.00 74.40 C ATOM 231 OE1 GLU A 19 -8.834 1.439 -10.670 1.00 4.22 O ATOM 232 OE2 GLU A 19 -9.179 1.704 -8.520 1.00 25.30 O ATOM 0 H GLU A 19 -6.622 0.219 -10.185 1.00 64.50 H new ATOM 0 HA GLU A 19 -6.918 2.362 -11.954 1.00 22.10 H new ATOM 0 HB2 GLU A 19 -5.805 1.959 -9.196 1.00 32.40 H new ATOM 0 HB3 GLU A 19 -5.508 3.489 -9.996 1.00 32.40 H new ATOM 0 HG2 GLU A 19 -7.524 3.538 -8.554 1.00 42.40 H new ATOM 0 HG3 GLU A 19 -7.882 3.916 -10.227 1.00 42.40 H new ATOM 239 N ASP A 20 -3.769 1.490 -11.390 1.00 22.50 N ATOM 240 CA ASP A 20 -2.414 1.590 -11.930 1.00 11.10 C ATOM 241 C ASP A 20 -2.361 1.118 -13.380 1.00 74.10 C ATOM 242 O ASP A 20 -1.545 1.593 -14.160 1.00 72.00 O ATOM 243 CB ASP A 20 -1.448 0.767 -11.070 1.00 63.00 C ATOM 244 CG ASP A 20 -0.004 1.192 -11.260 1.00 13.30 C ATOM 245 OD1 ASP A 20 0.487 1.131 -12.410 1.00 72.20 O ATOM 246 OD2 ASP A 20 0.634 1.585 -10.260 1.00 65.50 O ATOM 0 H ASP A 20 -3.851 0.913 -10.553 1.00 22.50 H new ATOM 0 HA ASP A 20 -2.114 2.638 -11.907 1.00 11.10 H new ATOM 0 HB2 ASP A 20 -1.720 0.872 -10.020 1.00 63.00 H new ATOM 0 HB3 ASP A 20 -1.550 -0.289 -11.322 1.00 63.00 H new ATOM 251 N LYS A 21 -3.238 0.179 -13.720 1.00 44.40 N ATOM 252 CA LYS A 21 -3.292 -0.358 -15.070 1.00 20.30 C ATOM 253 C LYS A 21 -4.133 0.534 -15.980 1.00 73.40 C ATOM 254 O LYS A 21 -3.948 0.543 -17.200 1.00 2.22 O ATOM 255 CB LYS A 21 -3.866 -1.776 -15.060 1.00 42.10 C ATOM 256 CG LYS A 21 -2.814 -2.856 -14.870 1.00 71.10 C ATOM 257 CD LYS A 21 -3.403 -4.095 -14.210 1.00 32.30 C ATOM 258 CE LYS A 21 -2.354 -4.856 -13.410 1.00 2.21 C ATOM 259 NZ LYS A 21 -2.551 -6.329 -13.500 1.00 15.40 N ATOM 0 H LYS A 21 -3.920 -0.224 -13.077 1.00 44.40 H new ATOM 0 HA LYS A 21 -2.274 -0.389 -15.458 1.00 20.30 H new ATOM 0 HB2 LYS A 21 -4.604 -1.855 -14.262 1.00 42.10 H new ATOM 0 HB3 LYS A 21 -4.391 -1.953 -15.998 1.00 42.10 H new ATOM 0 HG2 LYS A 21 -2.387 -3.125 -15.836 1.00 71.10 H new ATOM 0 HG3 LYS A 21 -1.999 -2.469 -14.258 1.00 71.10 H new ATOM 0 HD2 LYS A 21 -4.222 -3.803 -13.552 1.00 32.30 H new ATOM 0 HD3 LYS A 21 -3.825 -4.749 -14.973 1.00 32.30 H new ATOM 0 HE2 LYS A 21 -1.360 -4.599 -13.777 1.00 2.21 H new ATOM 0 HE3 LYS A 21 -2.398 -4.547 -12.366 1.00 2.21 H new ATOM 0 HZ1 LYS A 21 -1.818 -6.812 -12.943 1.00 15.40 H new ATOM 0 HZ2 LYS A 21 -3.489 -6.577 -13.127 1.00 15.40 H new ATOM 0 HZ3 LYS A 21 -2.484 -6.628 -14.494 1.00 15.40 H new ATOM 273 N ALA A 22 -5.057 1.282 -15.390 1.00 31.00 N ATOM 274 CA ALA A 22 -5.924 2.174 -16.150 1.00 42.00 C ATOM 275 C ALA A 22 -5.389 3.603 -16.140 1.00 32.40 C ATOM 276 O ALA A 22 -6.155 4.562 -16.240 1.00 22.20 O ATOM 277 CB ALA A 22 -7.338 2.137 -15.590 1.00 22.50 C ATOM 0 H ALA A 22 -5.226 1.289 -14.384 1.00 31.00 H new ATOM 0 HA ALA A 22 -5.942 1.828 -17.183 1.00 42.00 H new ATOM 0 HB1 ALA A 22 -7.975 2.808 -16.166 1.00 22.50 H new ATOM 0 HB2 ALA A 22 -7.728 1.121 -15.654 1.00 22.50 H new ATOM 0 HB3 ALA A 22 -7.325 2.456 -14.548 1.00 22.50 H new ATOM 283 N LYS A 23 -4.071 3.738 -16.030 1.00 20.00 N ATOM 284 CA LYS A 23 -3.436 5.051 -16.020 1.00 1.54 C ATOM 285 C LYS A 23 -3.965 5.903 -14.870 1.00 32.00 C ATOM 286 O LYS A 23 -4.131 7.115 -15.010 1.00 15.10 O ATOM 287 CB LYS A 23 -3.671 5.769 -17.350 1.00 40.50 C ATOM 288 CG LYS A 23 -3.354 4.914 -18.570 1.00 32.00 C ATOM 289 CD LYS A 23 -1.926 5.130 -19.040 1.00 53.10 C ATOM 290 CE LYS A 23 -1.813 4.979 -20.550 1.00 34.20 C ATOM 291 NZ LYS A 23 -0.524 4.351 -20.950 1.00 54.50 N ATOM 0 H LYS A 23 -3.423 2.955 -15.947 1.00 20.00 H new ATOM 0 HA LYS A 23 -2.365 4.905 -15.880 1.00 1.54 H new ATOM 0 HB2 LYS A 23 -4.712 6.089 -17.402 1.00 40.50 H new ATOM 0 HB3 LYS A 23 -3.059 6.670 -17.380 1.00 40.50 H new ATOM 0 HG2 LYS A 23 -3.504 3.862 -18.328 1.00 32.00 H new ATOM 0 HG3 LYS A 23 -4.045 5.157 -19.377 1.00 32.00 H new ATOM 0 HD2 LYS A 23 -1.590 6.124 -18.746 1.00 53.10 H new ATOM 0 HD3 LYS A 23 -1.267 4.413 -18.550 1.00 53.10 H new ATOM 0 HE2 LYS A 23 -2.641 4.373 -20.917 1.00 34.20 H new ATOM 0 HE3 LYS A 23 -1.901 5.958 -21.020 1.00 34.20 H new ATOM 0 HZ1 LYS A 23 -0.486 4.266 -21.986 1.00 54.50 H new ATOM 0 HZ2 LYS A 23 0.267 4.942 -20.622 1.00 54.50 H new ATOM 0 HZ3 LYS A 23 -0.451 3.406 -20.522 1.00 54.50 H new ATOM 305 N ASN A 24 -4.226 5.262 -13.730 1.00 25.40 N ATOM 306 CA ASN A 24 -4.734 5.963 -12.560 1.00 13.20 C ATOM 307 C ASN A 24 -3.763 5.837 -11.390 1.00 45.10 C ATOM 308 O ASN A 24 -3.978 5.044 -10.470 1.00 10.00 O ATOM 309 CB ASN A 24 -6.105 5.411 -12.160 1.00 4.34 C ATOM 310 CG ASN A 24 -7.245 6.194 -12.780 1.00 53.00 C ATOM 311 OD1 ASN A 24 -7.104 7.377 -13.090 1.00 41.10 O ATOM 312 ND2 ASN A 24 -8.384 5.537 -12.970 1.00 21.00 N ATOM 0 H ASN A 24 -4.093 4.260 -13.596 1.00 25.40 H new ATOM 0 HA ASN A 24 -4.837 7.018 -12.816 1.00 13.20 H new ATOM 0 HB2 ASN A 24 -6.177 4.367 -12.465 1.00 4.34 H new ATOM 0 HB3 ASN A 24 -6.200 5.433 -11.074 1.00 4.34 H new ATOM 0 HD21 ASN A 24 -9.184 6.013 -13.387 1.00 21.00 H new ATOM 0 HD22 ASN A 24 -8.459 4.557 -12.699 1.00 21.00 H new ATOM 319 N TYR A 25 -2.694 6.626 -11.430 1.00 4.12 N ATOM 320 CA TYR A 25 -1.689 6.604 -10.370 1.00 23.00 C ATOM 321 C TYR A 25 -2.252 7.171 -9.077 1.00 73.30 C ATOM 322 O TYR A 25 -2.014 6.630 -7.997 1.00 42.20 O ATOM 323 CB TYR A 25 -0.455 7.402 -10.800 1.00 64.50 C ATOM 324 CG TYR A 25 0.023 7.079 -12.190 1.00 43.00 C ATOM 325 CD1 TYR A 25 0.338 5.775 -12.560 1.00 12.30 C ATOM 326 CD2 TYR A 25 0.159 8.077 -13.150 1.00 30.50 C ATOM 327 CE1 TYR A 25 0.776 5.476 -13.830 1.00 2.02 C ATOM 328 CE2 TYR A 25 0.596 7.785 -14.430 1.00 5.03 C ATOM 329 CZ TYR A 25 0.903 6.484 -14.770 1.00 24.40 C ATOM 330 OH TYR A 25 1.338 6.190 -16.040 1.00 2.32 O ATOM 0 H TYR A 25 -2.501 7.287 -12.182 1.00 4.12 H new ATOM 0 HA TYR A 25 -1.401 5.568 -10.192 1.00 23.00 H new ATOM 0 HB2 TYR A 25 -0.684 8.466 -10.743 1.00 64.50 H new ATOM 0 HB3 TYR A 25 0.354 7.211 -10.094 1.00 64.50 H new ATOM 0 HD1 TYR A 25 0.237 4.981 -11.835 1.00 12.30 H new ATOM 0 HD2 TYR A 25 -0.081 9.098 -12.891 1.00 30.50 H new ATOM 0 HE1 TYR A 25 1.020 4.457 -14.093 1.00 2.02 H new ATOM 0 HE2 TYR A 25 0.696 8.574 -15.161 1.00 5.03 H new ATOM 0 HH TYR A 25 1.369 7.011 -16.573 1.00 2.32 H new ATOM 340 N GLU A 26 -3.000 8.264 -9.189 1.00 53.10 N ATOM 341 CA GLU A 26 -3.597 8.905 -8.022 1.00 55.30 C ATOM 342 C GLU A 26 -4.539 7.948 -7.299 1.00 74.20 C ATOM 343 O GLU A 26 -4.342 7.636 -6.125 1.00 64.30 O ATOM 344 CB GLU A 26 -4.354 10.167 -8.439 1.00 21.10 C ATOM 345 CG GLU A 26 -4.346 11.258 -7.382 1.00 51.40 C ATOM 346 CD GLU A 26 -5.668 11.994 -7.293 1.00 61.40 C ATOM 347 OE1 GLU A 26 -6.620 11.435 -6.708 1.00 52.10 O ATOM 348 OE2 GLU A 26 -5.752 13.129 -7.808 1.00 15.50 O ATOM 0 H GLU A 26 -3.207 8.724 -10.075 1.00 53.10 H new ATOM 0 HA GLU A 26 -2.794 9.181 -7.339 1.00 55.30 H new ATOM 0 HB2 GLU A 26 -3.914 10.558 -9.356 1.00 21.10 H new ATOM 0 HB3 GLU A 26 -5.386 9.902 -8.668 1.00 21.10 H new ATOM 0 HG2 GLU A 26 -4.114 10.817 -6.412 1.00 51.40 H new ATOM 0 HG3 GLU A 26 -3.552 11.970 -7.607 1.00 51.40 H new ATOM 355 N GLU A 27 -5.564 7.486 -8.008 1.00 71.40 N ATOM 356 CA GLU A 27 -6.537 6.564 -7.433 1.00 23.40 C ATOM 357 C GLU A 27 -5.865 5.268 -6.993 1.00 64.40 C ATOM 358 O GLU A 27 -6.292 4.632 -6.029 1.00 44.20 O ATOM 359 CB GLU A 27 -7.643 6.261 -8.446 1.00 21.50 C ATOM 360 CG GLU A 27 -8.893 5.665 -7.822 1.00 12.40 C ATOM 361 CD GLU A 27 -10.010 5.488 -8.823 1.00 52.30 C ATOM 362 OE1 GLU A 27 -10.780 6.449 -9.027 1.00 21.20 O ATOM 363 OE2 GLU A 27 -10.120 4.388 -9.405 1.00 43.00 O ATOM 0 H GLU A 27 -5.742 7.735 -8.981 1.00 71.40 H new ATOM 0 HA GLU A 27 -6.977 7.039 -6.556 1.00 23.40 H new ATOM 0 HB2 GLU A 27 -7.910 7.181 -8.966 1.00 21.50 H new ATOM 0 HB3 GLU A 27 -7.257 5.571 -9.197 1.00 21.50 H new ATOM 0 HG2 GLU A 27 -8.649 4.699 -7.380 1.00 12.40 H new ATOM 0 HG3 GLU A 27 -9.234 6.310 -7.012 1.00 12.40 H new ATOM 370 N ALA A 28 -4.813 4.881 -7.707 1.00 62.40 N ATOM 371 CA ALA A 28 -4.082 3.660 -7.390 1.00 43.30 C ATOM 372 C ALA A 28 -3.297 3.811 -6.091 1.00 72.10 C ATOM 373 O ALA A 28 -3.090 2.840 -5.363 1.00 55.10 O ATOM 374 CB ALA A 28 -3.148 3.293 -8.533 1.00 3.21 C ATOM 0 H ALA A 28 -4.448 5.395 -8.509 1.00 62.40 H new ATOM 0 HA ALA A 28 -4.807 2.857 -7.255 1.00 43.30 H new ATOM 0 HB1 ALA A 28 -2.608 2.379 -8.283 1.00 3.21 H new ATOM 0 HB2 ALA A 28 -3.729 3.134 -9.441 1.00 3.21 H new ATOM 0 HB3 ALA A 28 -2.436 4.102 -8.695 1.00 3.21 H new ATOM 380 N LEU A 29 -2.863 5.035 -5.807 1.00 72.20 N ATOM 381 CA LEU A 29 -2.100 5.312 -4.595 1.00 12.50 C ATOM 382 C LEU A 29 -2.990 5.225 -3.359 1.00 70.30 C ATOM 383 O LEU A 29 -2.632 4.590 -2.368 1.00 74.50 O ATOM 384 CB LEU A 29 -1.455 6.698 -4.680 1.00 71.50 C ATOM 385 CG LEU A 29 -0.442 7.017 -3.577 1.00 51.20 C ATOM 386 CD1 LEU A 29 -1.153 7.305 -2.264 1.00 43.20 C ATOM 387 CD2 LEU A 29 0.547 5.872 -3.411 1.00 60.00 C ATOM 0 H LEU A 29 -3.026 5.850 -6.399 1.00 72.20 H new ATOM 0 HA LEU A 29 -1.317 4.559 -4.508 1.00 12.50 H new ATOM 0 HB2 LEU A 29 -0.957 6.790 -5.645 1.00 71.50 H new ATOM 0 HB3 LEU A 29 -2.244 7.450 -4.655 1.00 71.50 H new ATOM 0 HG LEU A 29 0.112 7.909 -3.869 1.00 51.20 H new ATOM 0 HD11 LEU A 29 -0.416 7.529 -1.493 1.00 43.20 H new ATOM 0 HD12 LEU A 29 -1.818 8.159 -2.390 1.00 43.20 H new ATOM 0 HD13 LEU A 29 -1.735 6.433 -1.967 1.00 43.20 H new ATOM 0 HD21 LEU A 29 1.259 6.117 -2.623 1.00 60.00 H new ATOM 0 HD22 LEU A 29 0.009 4.962 -3.144 1.00 60.00 H new ATOM 0 HD23 LEU A 29 1.082 5.715 -4.347 1.00 60.00 H new ATOM 399 N ARG A 30 -4.152 5.868 -3.426 1.00 5.14 N ATOM 400 CA ARG A 30 -5.093 5.862 -2.311 1.00 71.10 C ATOM 401 C ARG A 30 -5.511 4.438 -1.959 1.00 74.40 C ATOM 402 O ARG A 30 -5.708 4.110 -0.788 1.00 53.10 O ATOM 403 CB ARG A 30 -6.327 6.699 -2.653 1.00 34.20 C ATOM 404 CG ARG A 30 -6.986 6.305 -3.965 1.00 1.10 C ATOM 405 CD ARG A 30 -8.257 7.102 -4.215 1.00 63.20 C ATOM 406 NE ARG A 30 -9.268 6.861 -3.187 1.00 62.30 N ATOM 407 CZ ARG A 30 -9.347 7.540 -2.044 1.00 42.40 C ATOM 408 NH1 ARG A 30 -8.474 8.503 -1.771 1.00 3.11 N ATOM 409 NH2 ARG A 30 -10.300 7.254 -1.170 1.00 4.31 N ATOM 0 H ARG A 30 -4.464 6.399 -4.239 1.00 5.14 H new ATOM 0 HA ARG A 30 -4.595 6.299 -1.446 1.00 71.10 H new ATOM 0 HB2 ARG A 30 -7.055 6.603 -1.847 1.00 34.20 H new ATOM 0 HB3 ARG A 30 -6.041 7.750 -2.701 1.00 34.20 H new ATOM 0 HG2 ARG A 30 -6.288 6.466 -4.786 1.00 1.10 H new ATOM 0 HG3 ARG A 30 -7.220 5.241 -3.950 1.00 1.10 H new ATOM 0 HD2 ARG A 30 -8.018 8.165 -4.245 1.00 63.20 H new ATOM 0 HD3 ARG A 30 -8.663 6.839 -5.191 1.00 63.20 H new ATOM 0 HE ARG A 30 -9.956 6.127 -3.356 1.00 62.30 H new ATOM 0 HH11 ARG A 30 -7.736 8.727 -2.439 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -8.541 9.018 -0.893 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -10.973 6.514 -1.373 1.00 4.31 H new ATOM 0 HH22 ARG A 30 -10.361 7.773 -0.294 1.00 4.31 H new ATOM 423 N LEU A 31 -5.645 3.596 -2.978 1.00 1.13 N ATOM 424 CA LEU A 31 -6.039 2.207 -2.775 1.00 13.40 C ATOM 425 C LEU A 31 -4.883 1.392 -2.206 1.00 75.30 C ATOM 426 O LEU A 31 -5.056 0.632 -1.253 1.00 11.30 O ATOM 427 CB LEU A 31 -6.515 1.592 -4.094 1.00 34.10 C ATOM 428 CG LEU A 31 -8.029 1.614 -4.310 1.00 1.22 C ATOM 429 CD1 LEU A 31 -8.738 0.873 -3.187 1.00 24.20 C ATOM 430 CD2 LEU A 31 -8.532 3.046 -4.407 1.00 40.50 C ATOM 0 H LEU A 31 -5.487 3.851 -3.953 1.00 1.13 H new ATOM 0 HA LEU A 31 -6.859 2.188 -2.058 1.00 13.40 H new ATOM 0 HB2 LEU A 31 -6.038 2.123 -4.918 1.00 34.10 H new ATOM 0 HB3 LEU A 31 -6.172 0.558 -4.140 1.00 34.10 H new ATOM 0 HG LEU A 31 -8.251 1.108 -5.249 1.00 1.22 H new ATOM 0 HD11 LEU A 31 -9.814 0.899 -3.357 1.00 24.20 H new ATOM 0 HD12 LEU A 31 -8.399 -0.163 -3.164 1.00 24.20 H new ATOM 0 HD13 LEU A 31 -8.510 1.351 -2.235 1.00 24.20 H new ATOM 0 HD21 LEU A 31 -9.611 3.043 -4.561 1.00 40.50 H new ATOM 0 HD22 LEU A 31 -8.298 3.577 -3.484 1.00 40.50 H new ATOM 0 HD23 LEU A 31 -8.048 3.546 -5.246 1.00 40.50 H new ATOM 442 N TYR A 32 -3.703 1.555 -2.796 1.00 1.10 N ATOM 443 CA TYR A 32 -2.518 0.833 -2.347 1.00 23.10 C ATOM 444 C TYR A 32 -2.193 1.170 -0.896 1.00 11.30 C ATOM 445 O TYR A 32 -1.803 0.299 -0.118 1.00 4.13 O ATOM 446 CB TYR A 32 -1.322 1.170 -3.241 1.00 4.24 C ATOM 447 CG TYR A 32 -1.168 0.239 -4.423 1.00 62.30 C ATOM 448 CD1 TYR A 32 -1.271 -1.137 -4.266 1.00 25.20 C ATOM 449 CD2 TYR A 32 -0.920 0.738 -5.696 1.00 1.33 C ATOM 450 CE1 TYR A 32 -1.130 -1.991 -5.343 1.00 24.10 C ATOM 451 CE2 TYR A 32 -0.779 -0.109 -6.778 1.00 51.20 C ATOM 452 CZ TYR A 32 -0.885 -1.472 -6.597 1.00 12.40 C ATOM 453 OH TYR A 32 -0.744 -2.319 -7.673 1.00 71.10 O ATOM 0 H TYR A 32 -3.542 2.180 -3.586 1.00 1.10 H new ATOM 0 HA TYR A 32 -2.726 -0.235 -2.415 1.00 23.10 H new ATOM 0 HB2 TYR A 32 -1.428 2.192 -3.605 1.00 4.24 H new ATOM 0 HB3 TYR A 32 -0.411 1.138 -2.643 1.00 4.24 H new ATOM 0 HD1 TYR A 32 -1.465 -1.546 -3.286 1.00 25.20 H new ATOM 0 HD2 TYR A 32 -0.836 1.805 -5.842 1.00 1.33 H new ATOM 0 HE1 TYR A 32 -1.211 -3.059 -5.204 1.00 24.10 H new ATOM 0 HE2 TYR A 32 -0.587 0.294 -7.761 1.00 51.20 H new ATOM 0 HH TYR A 32 -0.577 -1.794 -8.483 1.00 71.10 H new ATOM 463 N GLN A 33 -2.356 2.439 -0.537 1.00 51.30 N ATOM 464 CA GLN A 33 -2.080 2.891 0.822 1.00 54.20 C ATOM 465 C GLN A 33 -2.963 2.160 1.828 1.00 2.14 C ATOM 466 O GLN A 33 -2.467 1.533 2.764 1.00 62.10 O ATOM 467 CB GLN A 33 -2.300 4.401 0.934 1.00 11.30 C ATOM 468 CG GLN A 33 -1.057 5.221 0.632 1.00 11.00 C ATOM 469 CD GLN A 33 -1.270 6.705 0.854 1.00 11.00 C ATOM 470 OE1 GLN A 33 -0.461 7.370 1.502 1.00 53.10 O ATOM 471 NE2 GLN A 33 -2.363 7.234 0.316 1.00 44.40 N ATOM 0 H GLN A 33 -2.678 3.173 -1.168 1.00 51.30 H new ATOM 0 HA GLN A 33 -1.038 2.665 1.049 1.00 54.20 H new ATOM 0 HB2 GLN A 33 -3.095 4.696 0.249 1.00 11.30 H new ATOM 0 HB3 GLN A 33 -2.644 4.636 1.941 1.00 11.30 H new ATOM 0 HG2 GLN A 33 -0.237 4.877 1.263 1.00 11.00 H new ATOM 0 HG3 GLN A 33 -0.757 5.051 -0.402 1.00 11.00 H new ATOM 0 HE21 GLN A 33 -3.007 6.646 -0.214 1.00 44.40 H new ATOM 0 HE22 GLN A 33 -2.559 8.228 0.432 1.00 44.40 H new ATOM 480 N HIS A 34 -4.275 2.246 1.629 1.00 42.30 N ATOM 481 CA HIS A 34 -5.227 1.593 2.520 1.00 62.30 C ATOM 482 C HIS A 34 -5.021 0.082 2.523 1.00 2.44 C ATOM 483 O HIS A 34 -5.254 -0.585 3.531 1.00 4.40 O ATOM 484 CB HIS A 34 -6.660 1.923 2.099 1.00 63.30 C ATOM 485 CG HIS A 34 -7.600 2.088 3.253 1.00 33.30 C ATOM 486 ND1 HIS A 34 -8.665 2.964 3.237 1.00 44.50 N ATOM 487 CD2 HIS A 34 -7.631 1.482 4.463 1.00 11.00 C ATOM 488 CE1 HIS A 34 -9.309 2.891 4.388 1.00 4.22 C ATOM 489 NE2 HIS A 34 -8.703 1.998 5.149 1.00 63.40 N ATOM 0 H HIS A 34 -4.702 2.761 0.859 1.00 42.30 H new ATOM 0 HA HIS A 34 -5.057 1.967 3.530 1.00 62.30 H new ATOM 0 HB2 HIS A 34 -6.655 2.841 1.511 1.00 63.30 H new ATOM 0 HB3 HIS A 34 -7.031 1.130 1.449 1.00 63.30 H new ATOM 0 HD2 HIS A 34 -6.941 0.732 4.822 1.00 11.00 H new ATOM 0 HE1 HIS A 34 -10.183 3.464 4.660 1.00 4.22 H new ATOM 0 HE2 HIS A 34 -8.985 1.734 6.093 1.00 63.40 H new ATOM 498 N ALA A 35 -4.583 -0.453 1.388 1.00 1.04 N ATOM 499 CA ALA A 35 -4.345 -1.885 1.260 1.00 42.10 C ATOM 500 C ALA A 35 -3.272 -2.354 2.237 1.00 50.50 C ATOM 501 O ALA A 35 -3.533 -3.181 3.110 1.00 64.10 O ATOM 502 CB ALA A 35 -3.947 -2.228 -0.168 1.00 52.20 C ATOM 0 H ALA A 35 -4.386 0.084 0.544 1.00 1.04 H new ATOM 0 HA ALA A 35 -5.272 -2.405 1.503 1.00 42.10 H new ATOM 0 HB1 ALA A 35 -3.772 -3.301 -0.249 1.00 52.20 H new ATOM 0 HB2 ALA A 35 -4.748 -1.938 -0.848 1.00 52.20 H new ATOM 0 HB3 ALA A 35 -3.036 -1.691 -0.431 1.00 52.20 H new ATOM 508 N VAL A 36 -2.065 -1.820 2.082 1.00 53.40 N ATOM 509 CA VAL A 36 -0.952 -2.184 2.951 1.00 42.50 C ATOM 510 C VAL A 36 -1.264 -1.861 4.409 1.00 61.10 C ATOM 511 O VAL A 36 -0.840 -2.576 5.317 1.00 3.01 O ATOM 512 CB VAL A 36 0.342 -1.456 2.542 1.00 75.50 C ATOM 513 CG1 VAL A 36 1.529 -1.993 3.326 1.00 34.20 C ATOM 514 CG2 VAL A 36 0.578 -1.587 1.045 1.00 55.20 C ATOM 0 H VAL A 36 -1.833 -1.134 1.363 1.00 53.40 H new ATOM 0 HA VAL A 36 -0.805 -3.259 2.843 1.00 42.50 H new ATOM 0 HB VAL A 36 0.231 -0.398 2.778 1.00 75.50 H new ATOM 0 HG11 VAL A 36 2.434 -1.466 3.023 1.00 34.20 H new ATOM 0 HG12 VAL A 36 1.360 -1.840 4.392 1.00 34.20 H new ATOM 0 HG13 VAL A 36 1.645 -3.058 3.126 1.00 34.20 H new ATOM 0 HG21 VAL A 36 1.497 -1.066 0.775 1.00 55.20 H new ATOM 0 HG22 VAL A 36 0.667 -2.641 0.782 1.00 55.20 H new ATOM 0 HG23 VAL A 36 -0.260 -1.148 0.505 1.00 55.20 H new ATOM 524 N GLU A 37 -2.007 -0.781 4.625 1.00 5.01 N ATOM 525 CA GLU A 37 -2.375 -0.363 5.972 1.00 54.40 C ATOM 526 C GLU A 37 -3.170 -1.455 6.683 1.00 50.40 C ATOM 527 O GLU A 37 -2.984 -1.695 7.876 1.00 54.30 O ATOM 528 CB GLU A 37 -3.193 0.929 5.923 1.00 31.20 C ATOM 529 CG GLU A 37 -2.344 2.188 5.969 1.00 74.10 C ATOM 530 CD GLU A 37 -2.958 3.274 6.831 1.00 65.50 C ATOM 531 OE1 GLU A 37 -2.963 3.116 8.070 1.00 72.10 O ATOM 532 OE2 GLU A 37 -3.433 4.282 6.267 1.00 2.41 O ATOM 0 H GLU A 37 -2.366 -0.179 3.884 1.00 5.01 H new ATOM 0 HA GLU A 37 -1.458 -0.183 6.532 1.00 54.40 H new ATOM 0 HB2 GLU A 37 -3.790 0.937 5.011 1.00 31.20 H new ATOM 0 HB3 GLU A 37 -3.890 0.940 6.761 1.00 31.20 H new ATOM 0 HG2 GLU A 37 -1.354 1.941 6.353 1.00 74.10 H new ATOM 0 HG3 GLU A 37 -2.207 2.567 4.956 1.00 74.10 H new ATOM 539 N TYR A 38 -4.056 -2.112 5.942 1.00 74.00 N ATOM 540 CA TYR A 38 -4.879 -3.178 6.501 1.00 13.40 C ATOM 541 C TYR A 38 -4.045 -4.428 6.766 1.00 2.35 C ATOM 542 O TYR A 38 -4.287 -5.155 7.729 1.00 0.21 O ATOM 543 CB TYR A 38 -6.031 -3.513 5.552 1.00 42.30 C ATOM 544 CG TYR A 38 -7.283 -2.704 5.810 1.00 62.30 C ATOM 545 CD1 TYR A 38 -7.930 -2.763 7.038 1.00 63.00 C ATOM 546 CD2 TYR A 38 -7.817 -1.882 4.826 1.00 15.20 C ATOM 547 CE1 TYR A 38 -9.074 -2.026 7.278 1.00 4.54 C ATOM 548 CE2 TYR A 38 -8.960 -1.142 5.058 1.00 3.22 C ATOM 549 CZ TYR A 38 -9.585 -1.217 6.285 1.00 60.10 C ATOM 550 OH TYR A 38 -10.720 -0.481 6.519 1.00 32.20 O ATOM 0 H TYR A 38 -4.222 -1.925 4.953 1.00 74.00 H new ATOM 0 HA TYR A 38 -5.288 -2.827 7.449 1.00 13.40 H new ATOM 0 HB2 TYR A 38 -5.705 -3.345 4.525 1.00 42.30 H new ATOM 0 HB3 TYR A 38 -6.268 -4.573 5.642 1.00 42.30 H new ATOM 0 HD1 TYR A 38 -7.532 -3.395 7.818 1.00 63.00 H new ATOM 0 HD2 TYR A 38 -7.331 -1.820 3.864 1.00 15.20 H new ATOM 0 HE1 TYR A 38 -9.565 -2.083 8.238 1.00 4.54 H new ATOM 0 HE2 TYR A 38 -9.362 -0.508 4.282 1.00 3.22 H new ATOM 0 HH TYR A 38 -10.946 0.036 5.718 1.00 32.20 H new ATOM 560 N PHE A 39 -3.062 -4.670 5.905 1.00 31.40 N ATOM 561 CA PHE A 39 -2.191 -5.832 6.047 1.00 35.30 C ATOM 562 C PHE A 39 -1.350 -5.730 7.315 1.00 73.10 C ATOM 563 O PHE A 39 -1.272 -6.678 8.097 1.00 31.00 O ATOM 564 CB PHE A 39 -1.280 -5.964 4.825 1.00 71.40 C ATOM 565 CG PHE A 39 -1.953 -6.598 3.641 1.00 32.10 C ATOM 566 CD1 PHE A 39 -2.286 -7.943 3.654 1.00 21.30 C ATOM 567 CD2 PHE A 39 -2.251 -5.849 2.514 1.00 13.10 C ATOM 568 CE1 PHE A 39 -2.905 -8.528 2.566 1.00 73.10 C ATOM 569 CE2 PHE A 39 -2.870 -6.429 1.423 1.00 53.30 C ATOM 570 CZ PHE A 39 -3.197 -7.770 1.449 1.00 71.30 C ATOM 0 H PHE A 39 -2.848 -4.078 5.102 1.00 31.40 H new ATOM 0 HA PHE A 39 -2.819 -6.720 6.121 1.00 35.30 H new ATOM 0 HB2 PHE A 39 -0.920 -4.975 4.542 1.00 71.40 H new ATOM 0 HB3 PHE A 39 -0.406 -6.556 5.096 1.00 71.40 H new ATOM 0 HD1 PHE A 39 -2.059 -8.541 4.524 1.00 21.30 H new ATOM 0 HD2 PHE A 39 -1.997 -4.800 2.488 1.00 13.10 H new ATOM 0 HE1 PHE A 39 -3.160 -9.577 2.589 1.00 73.10 H new ATOM 0 HE2 PHE A 39 -3.098 -5.834 0.551 1.00 53.30 H new ATOM 0 HZ PHE A 39 -3.680 -8.226 0.597 1.00 71.30 H new ATOM 580 N LEU A 40 -0.722 -4.575 7.512 1.00 40.40 N ATOM 581 CA LEU A 40 0.113 -4.350 8.686 1.00 73.30 C ATOM 582 C LEU A 40 -0.696 -4.510 9.969 1.00 43.10 C ATOM 583 O LEU A 40 -0.205 -5.049 10.961 1.00 63.20 O ATOM 584 CB LEU A 40 0.737 -2.954 8.633 1.00 52.40 C ATOM 585 CG LEU A 40 1.639 -2.693 7.425 1.00 43.40 C ATOM 586 CD1 LEU A 40 2.258 -1.307 7.512 1.00 24.50 C ATOM 587 CD2 LEU A 40 2.721 -3.757 7.329 1.00 23.50 C ATOM 0 H LEU A 40 -0.776 -3.781 6.874 1.00 40.40 H new ATOM 0 HA LEU A 40 0.907 -5.096 8.684 1.00 73.30 H new ATOM 0 HB2 LEU A 40 -0.064 -2.214 8.636 1.00 52.40 H new ATOM 0 HB3 LEU A 40 1.318 -2.798 9.542 1.00 52.40 H new ATOM 0 HG LEU A 40 1.030 -2.740 6.523 1.00 43.40 H new ATOM 0 HD11 LEU A 40 2.896 -1.139 6.645 1.00 24.50 H new ATOM 0 HD12 LEU A 40 1.468 -0.556 7.532 1.00 24.50 H new ATOM 0 HD13 LEU A 40 2.854 -1.231 8.421 1.00 24.50 H new ATOM 0 HD21 LEU A 40 3.353 -3.556 6.464 1.00 23.50 H new ATOM 0 HD22 LEU A 40 3.328 -3.741 8.234 1.00 23.50 H new ATOM 0 HD23 LEU A 40 2.258 -4.738 7.220 1.00 23.50 H new ATOM 599 N HIS A 41 -1.938 -4.038 9.942 1.00 50.40 N ATOM 600 CA HIS A 41 -2.815 -4.129 11.103 1.00 63.30 C ATOM 601 C HIS A 41 -3.119 -5.585 11.442 1.00 14.10 C ATOM 602 O HIS A 41 -3.319 -5.932 12.606 1.00 1.13 O ATOM 603 CB HIS A 41 -4.119 -3.371 10.844 1.00 4.15 C ATOM 604 CG HIS A 41 -4.031 -1.908 11.149 1.00 23.40 C ATOM 605 ND1 HIS A 41 -4.976 -0.994 10.732 1.00 41.10 N ATOM 606 CD2 HIS A 41 -3.102 -1.200 11.835 1.00 72.20 C ATOM 607 CE1 HIS A 41 -4.632 0.212 11.148 1.00 15.30 C ATOM 608 NE2 HIS A 41 -3.500 0.114 11.820 1.00 33.10 N ATOM 0 H HIS A 41 -2.360 -3.589 9.129 1.00 50.40 H new ATOM 0 HA HIS A 41 -2.302 -3.676 11.951 1.00 63.30 H new ATOM 0 HB2 HIS A 41 -4.403 -3.500 9.800 1.00 4.15 H new ATOM 0 HB3 HIS A 41 -4.912 -3.813 11.447 1.00 4.15 H new ATOM 0 HD2 HIS A 41 -2.214 -1.595 12.306 1.00 72.20 H new ATOM 0 HE1 HIS A 41 -5.183 1.123 10.969 1.00 15.30 H new ATOM 0 HE2 HIS A 41 -3.002 0.889 12.257 1.00 33.10 H new ATOM 617 N ALA A 42 -3.152 -6.432 10.419 1.00 50.30 N ATOM 618 CA ALA A 42 -3.432 -7.850 10.609 1.00 41.00 C ATOM 619 C ALA A 42 -2.267 -8.551 11.300 1.00 41.10 C ATOM 620 O ALA A 42 -2.465 -9.483 12.079 1.00 32.00 O ATOM 621 CB ALA A 42 -3.731 -8.512 9.273 1.00 2.32 C ATOM 0 H ALA A 42 -2.988 -6.161 9.449 1.00 50.30 H new ATOM 0 HA ALA A 42 -4.309 -7.940 11.251 1.00 41.00 H new ATOM 0 HB1 ALA A 42 -3.938 -9.571 9.430 1.00 2.32 H new ATOM 0 HB2 ALA A 42 -4.599 -8.036 8.817 1.00 2.32 H new ATOM 0 HB3 ALA A 42 -2.870 -8.405 8.613 1.00 2.32 H new ATOM 627 N ILE A 43 -1.052 -8.098 11.009 1.00 41.10 N ATOM 628 CA ILE A 43 0.144 -8.682 11.602 1.00 20.50 C ATOM 629 C ILE A 43 0.263 -8.312 13.077 1.00 41.20 C ATOM 630 O ILE A 43 0.424 -9.181 13.934 1.00 42.20 O ATOM 631 CB ILE A 43 1.418 -8.226 10.866 1.00 53.30 C ATOM 632 CG1 ILE A 43 1.258 -8.419 9.357 1.00 23.40 C ATOM 633 CG2 ILE A 43 2.629 -8.992 11.378 1.00 52.30 C ATOM 634 CD1 ILE A 43 2.467 -7.979 8.560 1.00 12.00 C ATOM 0 H ILE A 43 -0.870 -7.328 10.366 1.00 41.10 H new ATOM 0 HA ILE A 43 0.047 -9.764 11.507 1.00 20.50 H new ATOM 0 HB ILE A 43 1.574 -7.165 11.063 1.00 53.30 H new ATOM 0 HG12 ILE A 43 1.061 -9.471 9.152 1.00 23.40 H new ATOM 0 HG13 ILE A 43 0.386 -7.860 9.018 1.00 23.40 H new ATOM 0 HG21 ILE A 43 3.521 -8.658 10.848 1.00 52.30 H new ATOM 0 HG22 ILE A 43 2.751 -8.808 12.445 1.00 52.30 H new ATOM 0 HG23 ILE A 43 2.483 -10.059 11.208 1.00 52.30 H new ATOM 0 HD11 ILE A 43 2.283 -8.145 7.498 1.00 12.00 H new ATOM 0 HD12 ILE A 43 2.652 -6.919 8.735 1.00 12.00 H new ATOM 0 HD13 ILE A 43 3.338 -8.556 8.872 1.00 12.00 H new ATOM 646 N LYS A 44 0.183 -7.017 13.365 1.00 30.20 N ATOM 647 CA LYS A 44 0.282 -6.532 14.737 1.00 44.10 C ATOM 648 C LYS A 44 -0.826 -7.121 15.604 1.00 52.10 C ATOM 649 O LYS A 44 -0.643 -7.336 16.802 1.00 51.40 O ATOM 650 CB LYS A 44 0.210 -5.004 14.766 1.00 23.30 C ATOM 651 CG LYS A 44 -0.989 -4.437 14.025 1.00 22.10 C ATOM 652 CD LYS A 44 -1.463 -3.134 14.648 1.00 72.40 C ATOM 653 CE LYS A 44 -0.519 -1.987 14.327 1.00 71.50 C ATOM 654 NZ LYS A 44 -1.102 -0.667 14.695 1.00 41.30 N ATOM 0 H LYS A 44 0.050 -6.285 12.667 1.00 30.20 H new ATOM 0 HA LYS A 44 1.243 -6.852 15.140 1.00 44.10 H new ATOM 0 HB2 LYS A 44 0.177 -4.670 15.803 1.00 23.30 H new ATOM 0 HB3 LYS A 44 1.122 -4.597 14.329 1.00 23.30 H new ATOM 0 HG2 LYS A 44 -0.726 -4.268 12.981 1.00 22.10 H new ATOM 0 HG3 LYS A 44 -1.802 -5.163 14.036 1.00 22.10 H new ATOM 0 HD2 LYS A 44 -2.462 -2.897 14.283 1.00 72.40 H new ATOM 0 HD3 LYS A 44 -1.539 -3.253 15.729 1.00 72.40 H new ATOM 0 HE2 LYS A 44 0.421 -2.130 14.861 1.00 71.50 H new ATOM 0 HE3 LYS A 44 -0.285 -1.996 13.262 1.00 71.50 H new ATOM 0 HZ1 LYS A 44 -0.464 0.093 14.383 1.00 41.30 H new ATOM 0 HZ2 LYS A 44 -2.027 -0.555 14.232 1.00 41.30 H new ATOM 0 HZ3 LYS A 44 -1.223 -0.616 15.727 1.00 41.30 H new ATOM 668 N TYR A 45 -1.977 -7.380 14.991 1.00 21.10 N ATOM 669 CA TYR A 45 -3.114 -7.944 15.707 1.00 13.40 C ATOM 670 C TYR A 45 -2.994 -9.461 15.811 1.00 45.30 C ATOM 671 O TYR A 45 -2.709 -10.000 16.880 1.00 44.40 O ATOM 672 CB TYR A 45 -4.422 -7.572 15.005 1.00 64.40 C ATOM 673 CG TYR A 45 -5.017 -6.267 15.485 1.00 31.10 C ATOM 674 CD1 TYR A 45 -4.215 -5.154 15.703 1.00 51.50 C ATOM 675 CD2 TYR A 45 -6.381 -6.150 15.720 1.00 4.11 C ATOM 676 CE1 TYR A 45 -4.756 -3.960 16.142 1.00 60.00 C ATOM 677 CE2 TYR A 45 -6.930 -4.959 16.159 1.00 24.00 C ATOM 678 CZ TYR A 45 -6.113 -3.868 16.368 1.00 71.30 C ATOM 679 OH TYR A 45 -6.655 -2.681 16.805 1.00 44.50 O ATOM 0 H TYR A 45 -2.146 -7.208 14.000 1.00 21.10 H new ATOM 0 HA TYR A 45 -3.119 -7.528 16.714 1.00 13.40 H new ATOM 0 HB2 TYR A 45 -4.243 -7.507 13.932 1.00 64.40 H new ATOM 0 HB3 TYR A 45 -5.147 -8.371 15.159 1.00 64.40 H new ATOM 0 HD1 TYR A 45 -3.152 -5.223 15.527 1.00 51.50 H new ATOM 0 HD2 TYR A 45 -7.023 -7.003 15.557 1.00 4.11 H new ATOM 0 HE1 TYR A 45 -4.119 -3.104 16.307 1.00 60.00 H new ATOM 0 HE2 TYR A 45 -7.993 -4.884 16.337 1.00 24.00 H new ATOM 0 HH TYR A 45 -7.623 -2.784 16.914 1.00 44.50 H new ATOM 689 N GLU A 46 -3.213 -10.140 14.692 1.00 14.50 N ATOM 690 CA GLU A 46 -3.128 -11.600 14.657 1.00 4.03 C ATOM 691 C GLU A 46 -2.495 -12.070 13.355 1.00 22.10 C ATOM 692 O GLU A 46 -3.058 -11.890 12.276 1.00 63.00 O ATOM 693 CB GLU A 46 -4.520 -12.210 14.817 1.00 52.20 C ATOM 694 CG GLU A 46 -5.161 -11.930 16.165 1.00 21.20 C ATOM 695 CD GLU A 46 -5.893 -13.130 16.730 1.00 63.20 C ATOM 696 OE1 GLU A 46 -5.231 -13.990 17.340 1.00 44.30 O ATOM 697 OE2 GLU A 46 -7.128 -13.200 16.562 1.00 63.00 O ATOM 0 H GLU A 46 -3.450 -9.708 13.799 1.00 14.50 H new ATOM 0 HA GLU A 46 -2.499 -11.930 15.484 1.00 4.03 H new ATOM 0 HB2 GLU A 46 -5.168 -11.824 14.030 1.00 52.20 H new ATOM 0 HB3 GLU A 46 -4.452 -13.289 14.674 1.00 52.20 H new ATOM 0 HG2 GLU A 46 -4.391 -11.616 16.870 1.00 21.20 H new ATOM 0 HG3 GLU A 46 -5.859 -11.099 16.064 1.00 21.20 H new ATOM 704 N ALA A 47 -1.320 -12.690 13.464 1.00 14.20 N ATOM 705 CA ALA A 47 -0.610 -13.190 12.295 1.00 40.20 C ATOM 706 C ALA A 47 -0.862 -14.680 12.100 1.00 55.30 C ATOM 707 O ALA A 47 -1.364 -15.360 12.998 1.00 61.30 O ATOM 708 CB ALA A 47 0.881 -12.920 12.425 1.00 13.40 C ATOM 0 H ALA A 47 -0.843 -12.856 14.350 1.00 14.20 H new ATOM 0 HA ALA A 47 -0.987 -12.663 11.419 1.00 40.20 H new ATOM 0 HB1 ALA A 47 1.398 -13.300 11.544 1.00 13.40 H new ATOM 0 HB2 ALA A 47 1.050 -11.847 12.511 1.00 13.40 H new ATOM 0 HB3 ALA A 47 1.265 -13.420 13.314 1.00 13.40 H new ATOM 714 N HIS A 48 -0.510 -15.190 10.923 1.00 21.30 N ATOM 715 CA HIS A 48 -0.697 -16.600 10.611 1.00 20.10 C ATOM 716 C HIS A 48 0.478 -17.430 11.118 1.00 52.40 C ATOM 717 O HIS A 48 0.301 -18.350 11.913 1.00 11.00 O ATOM 718 CB HIS A 48 -0.860 -16.790 9.102 1.00 33.20 C ATOM 719 CG HIS A 48 -2.203 -16.380 8.587 1.00 61.00 C ATOM 720 ND1 HIS A 48 -2.876 -17.070 7.599 1.00 13.10 N ATOM 721 CD2 HIS A 48 -3.002 -15.340 8.929 1.00 14.00 C ATOM 722 CE1 HIS A 48 -4.029 -16.470 7.355 1.00 54.40 C ATOM 723 NE2 HIS A 48 -4.129 -15.420 8.149 1.00 24.20 N ATOM 0 H HIS A 48 -0.093 -14.644 10.169 1.00 21.30 H new ATOM 0 HA HIS A 48 -1.602 -16.943 11.113 1.00 20.10 H new ATOM 0 HB2 HIS A 48 -0.092 -16.214 8.587 1.00 33.20 H new ATOM 0 HB3 HIS A 48 -0.691 -17.838 8.856 1.00 33.20 H new ATOM 0 HD2 HIS A 48 -2.791 -14.589 9.676 1.00 14.00 H new ATOM 0 HE1 HIS A 48 -4.764 -16.785 6.629 1.00 54.40 H new ATOM 0 HE2 HIS A 48 -4.917 -14.773 8.178 1.00 24.20 H new ATOM 732 N SER A 49 1.676 -17.090 10.651 1.00 51.40 N ATOM 733 CA SER A 49 2.881 -17.810 11.057 1.00 0.53 C ATOM 734 C SER A 49 4.131 -17.110 10.530 1.00 64.30 C ATOM 735 O SER A 49 4.043 -16.100 9.840 1.00 73.10 O ATOM 736 CB SER A 49 2.836 -19.250 10.554 1.00 44.20 C ATOM 737 OG SER A 49 2.264 -19.330 9.260 1.00 65.50 O ATOM 0 H SER A 49 1.839 -16.326 9.995 1.00 51.40 H new ATOM 0 HA SER A 49 2.921 -17.819 12.146 1.00 0.53 H new ATOM 0 HB2 SER A 49 3.845 -19.661 10.533 1.00 44.20 H new ATOM 0 HB3 SER A 49 2.258 -19.861 11.247 1.00 44.20 H new ATOM 0 HG SER A 49 2.251 -20.265 8.965 1.00 65.50 H new ATOM 743 N ASP A 50 5.294 -17.670 10.858 1.00 11.30 N ATOM 744 CA ASP A 50 6.562 -17.100 10.417 1.00 0.33 C ATOM 745 C ASP A 50 6.648 -17.080 8.894 1.00 33.40 C ATOM 746 O ASP A 50 7.012 -16.060 8.298 1.00 3.24 O ATOM 747 CB ASP A 50 7.731 -17.900 10.993 1.00 23.00 C ATOM 748 CG ASP A 50 8.201 -17.360 12.329 1.00 22.30 C ATOM 749 OD1 ASP A 50 7.393 -17.340 13.282 1.00 44.50 O ATOM 750 OD2 ASP A 50 9.376 -16.940 12.422 1.00 50.10 O ATOM 0 H ASP A 50 5.383 -18.513 11.425 1.00 11.30 H new ATOM 0 HA ASP A 50 6.617 -16.074 10.781 1.00 0.33 H new ATOM 0 HB2 ASP A 50 7.431 -18.941 11.111 1.00 23.00 H new ATOM 0 HB3 ASP A 50 8.561 -17.885 10.286 1.00 23.00 H new ATOM 755 N LYS A 51 6.311 -18.200 8.271 1.00 51.20 N ATOM 756 CA LYS A 51 6.350 -18.310 6.817 1.00 40.20 C ATOM 757 C LYS A 51 5.395 -17.310 6.171 1.00 4.31 C ATOM 758 O LYS A 51 5.757 -16.620 5.221 1.00 51.10 O ATOM 759 CB LYS A 51 5.991 -19.730 6.382 1.00 31.30 C ATOM 760 CG LYS A 51 6.470 -20.080 4.982 1.00 44.30 C ATOM 761 CD LYS A 51 7.796 -20.820 5.015 1.00 1.05 C ATOM 762 CE LYS A 51 8.968 -19.880 4.795 1.00 2.32 C ATOM 763 NZ LYS A 51 10.150 -20.590 4.228 1.00 31.20 N ATOM 0 H LYS A 51 6.007 -19.048 8.749 1.00 51.20 H new ATOM 0 HA LYS A 51 7.364 -18.083 6.487 1.00 40.20 H new ATOM 0 HB2 LYS A 51 6.421 -20.437 7.091 1.00 31.30 H new ATOM 0 HB3 LYS A 51 4.909 -19.852 6.427 1.00 31.30 H new ATOM 0 HG2 LYS A 51 5.721 -20.696 4.484 1.00 44.30 H new ATOM 0 HG3 LYS A 51 6.576 -19.168 4.394 1.00 44.30 H new ATOM 0 HD2 LYS A 51 7.908 -21.323 5.975 1.00 1.05 H new ATOM 0 HD3 LYS A 51 7.801 -21.594 4.247 1.00 1.05 H new ATOM 0 HE2 LYS A 51 8.668 -19.078 4.121 1.00 2.32 H new ATOM 0 HE3 LYS A 51 9.243 -19.415 5.742 1.00 2.32 H new ATOM 0 HZ1 LYS A 51 10.929 -19.914 4.092 1.00 31.20 H new ATOM 0 HZ2 LYS A 51 10.452 -21.339 4.883 1.00 31.20 H new ATOM 0 HZ3 LYS A 51 9.895 -21.012 3.313 1.00 31.20 H new ATOM 777 N ALA A 52 4.175 -17.240 6.693 1.00 44.40 N ATOM 778 CA ALA A 52 3.168 -16.330 6.166 1.00 23.10 C ATOM 779 C ALA A 52 3.540 -14.880 6.453 1.00 13.00 C ATOM 780 O ALA A 52 3.424 -14.020 5.584 1.00 12.50 O ATOM 781 CB ALA A 52 1.803 -16.650 6.756 1.00 54.30 C ATOM 0 H ALA A 52 3.861 -17.804 7.482 1.00 44.40 H new ATOM 0 HA ALA A 52 3.124 -16.464 5.085 1.00 23.10 H new ATOM 0 HB1 ALA A 52 1.061 -15.961 6.352 1.00 54.30 H new ATOM 0 HB2 ALA A 52 1.526 -17.672 6.499 1.00 54.30 H new ATOM 0 HB3 ALA A 52 1.842 -16.546 7.840 1.00 54.30 H new ATOM 787 N LYS A 53 3.987 -14.620 7.677 1.00 21.20 N ATOM 788 CA LYS A 53 4.376 -13.270 8.078 1.00 44.20 C ATOM 789 C LYS A 53 5.512 -12.750 7.205 1.00 55.50 C ATOM 790 O LYS A 53 5.611 -11.550 6.948 1.00 45.40 O ATOM 791 CB LYS A 53 4.799 -13.260 9.548 1.00 20.20 C ATOM 792 CG LYS A 53 3.630 -13.200 10.517 1.00 41.40 C ATOM 793 CD LYS A 53 4.088 -12.830 11.920 1.00 2.12 C ATOM 794 CE LYS A 53 4.284 -14.070 12.782 1.00 61.40 C ATOM 795 NZ LYS A 53 5.184 -13.800 13.938 1.00 75.20 N ATOM 0 H LYS A 53 4.089 -15.324 8.408 1.00 21.20 H new ATOM 0 HA LYS A 53 3.515 -12.614 7.948 1.00 44.20 H new ATOM 0 HB2 LYS A 53 5.386 -14.155 9.755 1.00 20.20 H new ATOM 0 HB3 LYS A 53 5.450 -12.404 9.724 1.00 20.20 H new ATOM 0 HG2 LYS A 53 2.902 -12.469 10.166 1.00 41.40 H new ATOM 0 HG3 LYS A 53 3.125 -14.166 10.541 1.00 41.40 H new ATOM 0 HD2 LYS A 53 5.022 -12.271 11.865 1.00 2.12 H new ATOM 0 HD3 LYS A 53 3.352 -12.174 12.384 1.00 2.12 H new ATOM 0 HE2 LYS A 53 3.317 -14.416 13.147 1.00 61.40 H new ATOM 0 HE3 LYS A 53 4.702 -14.873 12.175 1.00 61.40 H new ATOM 0 HZ1 LYS A 53 5.294 -14.667 14.502 1.00 75.20 H new ATOM 0 HZ2 LYS A 53 6.115 -13.493 13.589 1.00 75.20 H new ATOM 0 HZ3 LYS A 53 4.773 -13.051 14.531 1.00 75.20 H new ATOM 809 N GLU A 54 6.369 -13.660 6.752 1.00 34.30 N ATOM 810 CA GLU A 54 7.499 -13.290 5.907 1.00 61.40 C ATOM 811 C GLU A 54 7.035 -12.960 4.492 1.00 0.22 C ATOM 812 O GLU A 54 7.622 -12.120 3.816 1.00 31.00 O ATOM 813 CB GLU A 54 8.525 -14.430 5.869 1.00 52.40 C ATOM 814 CG GLU A 54 9.908 -13.980 5.423 1.00 71.10 C ATOM 815 CD GLU A 54 11.002 -14.920 5.884 1.00 65.00 C ATOM 816 OE1 GLU A 54 11.061 -15.220 7.097 1.00 11.40 O ATOM 817 OE2 GLU A 54 11.799 -15.370 5.033 1.00 31.20 O ATOM 0 H GLU A 54 6.303 -14.657 6.956 1.00 34.30 H new ATOM 0 HA GLU A 54 7.966 -12.401 6.332 1.00 61.40 H new ATOM 0 HB2 GLU A 54 8.598 -14.877 6.860 1.00 52.40 H new ATOM 0 HB3 GLU A 54 8.168 -15.208 5.194 1.00 52.40 H new ATOM 0 HG2 GLU A 54 9.930 -13.908 4.336 1.00 71.10 H new ATOM 0 HG3 GLU A 54 10.104 -12.981 5.812 1.00 71.10 H new ATOM 824 N SER A 55 5.979 -13.640 4.049 1.00 21.10 N ATOM 825 CA SER A 55 5.436 -13.420 2.713 1.00 72.10 C ATOM 826 C SER A 55 4.785 -12.040 2.611 1.00 64.10 C ATOM 827 O SER A 55 4.811 -11.410 1.557 1.00 33.50 O ATOM 828 CB SER A 55 4.417 -14.500 2.368 1.00 41.30 C ATOM 829 OG SER A 55 4.496 -14.860 0.999 1.00 41.40 O ATOM 0 H SER A 55 5.485 -14.346 4.595 1.00 21.10 H new ATOM 0 HA SER A 55 6.260 -13.469 2.002 1.00 72.10 H new ATOM 0 HB2 SER A 55 4.590 -15.379 2.989 1.00 41.30 H new ATOM 0 HB3 SER A 55 3.413 -14.142 2.595 1.00 41.30 H new ATOM 0 HG SER A 55 3.833 -15.555 0.805 1.00 41.40 H new ATOM 835 N ILE A 56 4.201 -11.590 3.715 1.00 72.30 N ATOM 836 CA ILE A 56 3.543 -10.290 3.750 1.00 52.50 C ATOM 837 C ILE A 56 4.564 -9.159 3.806 1.00 33.30 C ATOM 838 O ILE A 56 4.353 -8.090 3.233 1.00 51.00 O ATOM 839 CB ILE A 56 2.595 -10.170 4.959 1.00 51.00 C ATOM 840 CG1 ILE A 56 1.672 -11.380 5.033 1.00 11.30 C ATOM 841 CG2 ILE A 56 1.782 -8.888 4.872 1.00 34.40 C ATOM 842 CD1 ILE A 56 1.029 -11.570 6.390 1.00 11.10 C ATOM 0 H ILE A 56 4.170 -12.104 4.595 1.00 72.30 H new ATOM 0 HA ILE A 56 2.961 -10.207 2.832 1.00 52.50 H new ATOM 0 HB ILE A 56 3.197 -10.137 5.867 1.00 51.00 H new ATOM 0 HG12 ILE A 56 0.890 -11.276 4.281 1.00 11.30 H new ATOM 0 HG13 ILE A 56 2.240 -12.276 4.781 1.00 11.30 H new ATOM 0 HG21 ILE A 56 1.118 -8.819 5.734 1.00 34.40 H new ATOM 0 HG22 ILE A 56 2.455 -8.030 4.863 1.00 34.40 H new ATOM 0 HG23 ILE A 56 1.190 -8.894 3.957 1.00 34.40 H new ATOM 0 HD11 ILE A 56 0.386 -12.450 6.368 1.00 11.10 H new ATOM 0 HD12 ILE A 56 1.804 -11.706 7.144 1.00 11.10 H new ATOM 0 HD13 ILE A 56 0.433 -10.691 6.637 1.00 11.10 H new ATOM 854 N ARG A 57 5.671 -9.402 4.499 1.00 73.50 N ATOM 855 CA ARG A 57 6.726 -8.404 4.629 1.00 63.40 C ATOM 856 C ARG A 57 7.278 -8.015 3.261 1.00 13.40 C ATOM 857 O ARG A 57 7.246 -6.846 2.877 1.00 75.20 O ATOM 858 CB ARG A 57 7.853 -8.935 5.519 1.00 10.30 C ATOM 859 CG ARG A 57 8.024 -8.157 6.813 1.00 32.30 C ATOM 860 CD ARG A 57 9.163 -8.713 7.651 1.00 11.40 C ATOM 861 NE ARG A 57 8.757 -9.890 8.415 1.00 21.10 N ATOM 862 CZ ARG A 57 9.423 -10.350 9.469 1.00 73.20 C ATOM 863 NH1 ARG A 57 10.527 -9.749 9.887 1.00 71.40 N ATOM 864 NH2 ARG A 57 8.985 -11.430 10.107 1.00 42.00 N ATOM 0 H ARG A 57 5.861 -10.282 4.979 1.00 73.50 H new ATOM 0 HA ARG A 57 6.297 -7.515 5.092 1.00 63.40 H new ATOM 0 HB2 ARG A 57 7.655 -9.980 5.757 1.00 10.30 H new ATOM 0 HB3 ARG A 57 8.789 -8.907 4.961 1.00 10.30 H new ATOM 0 HG2 ARG A 57 8.216 -7.109 6.586 1.00 32.30 H new ATOM 0 HG3 ARG A 57 7.098 -8.194 7.386 1.00 32.30 H new ATOM 0 HD2 ARG A 57 9.998 -8.973 7.001 1.00 11.40 H new ATOM 0 HD3 ARG A 57 9.520 -7.943 8.335 1.00 11.40 H new ATOM 0 HE ARG A 57 7.915 -10.387 8.123 1.00 21.10 H new ATOM 0 HH11 ARG A 57 10.875 -8.924 9.399 1.00 71.40 H new ATOM 0 HH12 ARG A 57 11.029 -10.111 10.697 1.00 71.40 H new ATOM 0 HH21 ARG A 57 8.140 -11.903 9.787 1.00 42.00 H new ATOM 0 HH22 ARG A 57 9.494 -11.786 10.916 1.00 42.00 H new ATOM 878 N ALA A 58 7.782 -9.003 2.529 1.00 21.40 N ATOM 879 CA ALA A 58 8.339 -8.765 1.203 1.00 12.30 C ATOM 880 C ALA A 58 7.304 -8.131 0.280 1.00 22.20 C ATOM 881 O ALA A 58 7.617 -7.224 -0.491 1.00 54.50 O ATOM 882 CB ALA A 58 8.855 -10.060 0.606 1.00 33.10 C ATOM 0 H ALA A 58 7.816 -9.976 2.832 1.00 21.40 H new ATOM 0 HA ALA A 58 9.172 -8.070 1.306 1.00 12.30 H new ATOM 0 HB1 ALA A 58 9.268 -9.865 -0.384 1.00 33.10 H new ATOM 0 HB2 ALA A 58 9.633 -10.472 1.249 1.00 33.10 H new ATOM 0 HB3 ALA A 58 8.036 -10.774 0.524 1.00 33.10 H new ATOM 888 N LYS A 59 6.069 -8.614 0.366 1.00 74.40 N ATOM 889 CA LYS A 59 4.986 -8.093 -0.459 1.00 54.50 C ATOM 890 C LYS A 59 4.652 -6.656 -0.071 1.00 52.30 C ATOM 891 O LYS A 59 4.221 -5.861 -0.906 1.00 4.02 O ATOM 892 CB LYS A 59 3.742 -8.973 -0.322 1.00 74.50 C ATOM 893 CG LYS A 59 3.709 -10.130 -1.300 1.00 31.30 C ATOM 894 CD LYS A 59 2.290 -10.440 -1.748 1.00 14.30 C ATOM 895 CE LYS A 59 2.242 -10.830 -3.217 1.00 4.01 C ATOM 896 NZ LYS A 59 2.588 -12.260 -3.428 1.00 5.55 N ATOM 0 H LYS A 59 5.794 -9.365 0.999 1.00 74.40 H new ATOM 0 HA LYS A 59 5.316 -8.104 -1.498 1.00 54.50 H new ATOM 0 HB2 LYS A 59 3.694 -9.365 0.694 1.00 74.50 H new ATOM 0 HB3 LYS A 59 2.854 -8.358 -0.469 1.00 74.50 H new ATOM 0 HG2 LYS A 59 4.322 -9.891 -2.169 1.00 31.30 H new ATOM 0 HG3 LYS A 59 4.146 -11.014 -0.835 1.00 31.30 H new ATOM 0 HD2 LYS A 59 1.885 -11.250 -1.142 1.00 14.30 H new ATOM 0 HD3 LYS A 59 1.656 -9.569 -1.581 1.00 14.30 H new ATOM 0 HE2 LYS A 59 1.244 -10.637 -3.610 1.00 4.01 H new ATOM 0 HE3 LYS A 59 2.933 -10.203 -3.781 1.00 4.01 H new ATOM 0 HZ1 LYS A 59 2.543 -12.482 -4.443 1.00 5.55 H new ATOM 0 HZ2 LYS A 59 3.550 -12.440 -3.077 1.00 5.55 H new ATOM 0 HZ3 LYS A 59 1.913 -12.860 -2.912 1.00 5.55 H new ATOM 910 N CYS A 60 4.854 -6.330 1.202 1.00 21.10 N ATOM 911 CA CYS A 60 4.575 -4.988 1.701 1.00 34.40 C ATOM 912 C CYS A 60 5.637 -4.001 1.228 1.00 72.40 C ATOM 913 O CYS A 60 5.325 -2.871 0.852 1.00 2.15 O ATOM 914 CB CYS A 60 4.510 -4.993 3.229 1.00 1.04 C ATOM 915 SG CYS A 60 2.912 -5.511 3.899 1.00 44.10 S ATOM 0 H CYS A 60 5.210 -6.976 1.906 1.00 21.10 H new ATOM 0 HA CYS A 60 3.610 -4.673 1.305 1.00 34.40 H new ATOM 0 HB2 CYS A 60 5.285 -5.657 3.613 1.00 1.04 H new ATOM 0 HB3 CYS A 60 4.738 -3.992 3.595 1.00 1.04 H new ATOM 0 HG CYS A 60 2.957 -5.485 5.198 1.00 44.10 H new ATOM 921 N VAL A 61 6.893 -4.436 1.250 1.00 71.30 N ATOM 922 CA VAL A 61 8.001 -3.590 0.823 1.00 32.40 C ATOM 923 C VAL A 61 7.833 -3.156 -0.629 1.00 53.30 C ATOM 924 O VAL A 61 8.136 -2.018 -0.987 1.00 54.20 O ATOM 925 CB VAL A 61 9.352 -4.313 0.976 1.00 71.10 C ATOM 926 CG1 VAL A 61 10.504 -3.354 0.717 1.00 53.20 C ATOM 927 CG2 VAL A 61 9.469 -4.940 2.358 1.00 4.35 C ATOM 0 H VAL A 61 7.168 -5.368 1.559 1.00 71.30 H new ATOM 0 HA VAL A 61 7.993 -2.710 1.467 1.00 32.40 H new ATOM 0 HB VAL A 61 9.402 -5.111 0.235 1.00 71.10 H new ATOM 0 HG11 VAL A 61 11.450 -3.883 0.830 1.00 53.20 H new ATOM 0 HG12 VAL A 61 10.428 -2.959 -0.296 1.00 53.20 H new ATOM 0 HG13 VAL A 61 10.461 -2.532 1.431 1.00 53.20 H new ATOM 0 HG21 VAL A 61 10.430 -5.446 2.448 1.00 4.35 H new ATOM 0 HG22 VAL A 61 9.397 -4.162 3.118 1.00 4.35 H new ATOM 0 HG23 VAL A 61 8.664 -5.661 2.500 1.00 4.35 H new ATOM 937 N GLN A 62 7.347 -4.071 -1.462 1.00 60.30 N ATOM 938 CA GLN A 62 7.137 -3.782 -2.876 1.00 23.30 C ATOM 939 C GLN A 62 5.886 -2.932 -3.078 1.00 42.10 C ATOM 940 O GLN A 62 5.811 -2.132 -4.010 1.00 32.40 O ATOM 941 CB GLN A 62 7.017 -5.083 -3.672 1.00 42.40 C ATOM 942 CG GLN A 62 7.568 -4.985 -5.085 1.00 61.00 C ATOM 943 CD GLN A 62 6.855 -5.907 -6.054 1.00 33.10 C ATOM 944 OE1 GLN A 62 5.716 -5.652 -6.448 1.00 52.40 O ATOM 945 NE2 GLN A 62 7.522 -6.987 -6.443 1.00 13.10 N ATOM 0 H GLN A 62 7.091 -5.018 -1.182 1.00 60.30 H new ATOM 0 HA GLN A 62 7.998 -3.221 -3.238 1.00 23.30 H new ATOM 0 HB2 GLN A 62 7.544 -5.875 -3.140 1.00 42.40 H new ATOM 0 HB3 GLN A 62 5.968 -5.375 -3.720 1.00 42.40 H new ATOM 0 HG2 GLN A 62 7.479 -3.957 -5.435 1.00 61.00 H new ATOM 0 HG3 GLN A 62 8.631 -5.227 -5.074 1.00 61.00 H new ATOM 0 HE21 GLN A 62 8.464 -7.159 -6.091 1.00 13.10 H new ATOM 0 HE22 GLN A 62 7.093 -7.645 -7.094 1.00 13.10 H new ATOM 954 N TYR A 63 4.907 -3.112 -2.197 1.00 44.20 N ATOM 955 CA TYR A 63 3.659 -2.361 -2.279 1.00 4.31 C ATOM 956 C TYR A 63 3.886 -0.890 -1.948 1.00 32.10 C ATOM 957 O TYR A 63 3.506 -0.005 -2.715 1.00 45.40 O ATOM 958 CB TYR A 63 2.619 -2.956 -1.328 1.00 32.50 C ATOM 959 CG TYR A 63 1.803 -4.071 -1.942 1.00 40.30 C ATOM 960 CD1 TYR A 63 1.270 -3.945 -3.219 1.00 3.24 C ATOM 961 CD2 TYR A 63 1.566 -5.249 -1.244 1.00 64.10 C ATOM 962 CE1 TYR A 63 0.524 -4.962 -3.783 1.00 51.50 C ATOM 963 CE2 TYR A 63 0.821 -6.270 -1.802 1.00 11.00 C ATOM 964 CZ TYR A 63 0.302 -6.122 -3.071 1.00 72.30 C ATOM 965 OH TYR A 63 -0.441 -7.136 -3.630 1.00 63.10 O ATOM 0 H TYR A 63 4.953 -3.770 -1.419 1.00 44.20 H new ATOM 0 HA TYR A 63 3.288 -2.431 -3.302 1.00 4.31 H new ATOM 0 HB2 TYR A 63 3.126 -3.335 -0.440 1.00 32.50 H new ATOM 0 HB3 TYR A 63 1.946 -2.164 -0.998 1.00 32.50 H new ATOM 0 HD1 TYR A 63 1.442 -3.038 -3.779 1.00 3.24 H new ATOM 0 HD2 TYR A 63 1.971 -5.368 -0.250 1.00 64.10 H new ATOM 0 HE1 TYR A 63 0.117 -4.849 -4.777 1.00 51.50 H new ATOM 0 HE2 TYR A 63 0.646 -7.180 -1.247 1.00 11.00 H new ATOM 0 HH TYR A 63 -0.502 -7.883 -2.999 1.00 63.10 H new ATOM 975 N LEU A 64 4.507 -0.635 -0.800 1.00 35.20 N ATOM 976 CA LEU A 64 4.783 0.730 -0.369 1.00 13.20 C ATOM 977 C LEU A 64 5.680 1.447 -1.373 1.00 54.30 C ATOM 978 O LEU A 64 5.523 2.643 -1.617 1.00 42.10 O ATOM 979 CB LEU A 64 5.441 0.728 1.013 1.00 5.12 C ATOM 980 CG LEU A 64 6.862 0.162 1.056 1.00 0.11 C ATOM 981 CD1 LEU A 64 7.884 1.273 0.873 1.00 65.40 C ATOM 982 CD2 LEU A 64 7.103 -0.575 2.364 1.00 12.20 C ATOM 0 H LEU A 64 4.828 -1.355 -0.153 1.00 35.20 H new ATOM 0 HA LEU A 64 3.835 1.265 -0.311 1.00 13.20 H new ATOM 0 HB2 LEU A 64 5.463 1.751 1.389 1.00 5.12 H new ATOM 0 HB3 LEU A 64 4.816 0.151 1.695 1.00 5.12 H new ATOM 0 HG LEU A 64 6.975 -0.547 0.236 1.00 0.11 H new ATOM 0 HD11 LEU A 64 8.889 0.852 0.906 1.00 65.40 H new ATOM 0 HD12 LEU A 64 7.726 1.758 -0.090 1.00 65.40 H new ATOM 0 HD13 LEU A 64 7.771 2.006 1.671 1.00 65.40 H new ATOM 0 HD21 LEU A 64 8.119 -0.971 2.377 1.00 12.20 H new ATOM 0 HD22 LEU A 64 6.971 0.113 3.199 1.00 12.20 H new ATOM 0 HD23 LEU A 64 6.392 -1.396 2.455 1.00 12.20 H new ATOM 994 N ASP A 65 6.620 0.708 -1.952 1.00 14.30 N ATOM 995 CA ASP A 65 7.542 1.274 -2.931 1.00 45.20 C ATOM 996 C ASP A 65 6.783 1.823 -4.136 1.00 15.00 C ATOM 997 O ASP A 65 7.104 2.895 -4.648 1.00 21.10 O ATOM 998 CB ASP A 65 8.549 0.215 -3.386 1.00 35.40 C ATOM 999 CG ASP A 65 9.862 0.305 -2.631 1.00 11.20 C ATOM 1000 OD1 ASP A 65 9.889 0.945 -1.559 1.00 12.00 O ATOM 1001 OD2 ASP A 65 10.863 -0.266 -3.113 1.00 23.00 O ATOM 0 H ASP A 65 6.764 -0.284 -1.761 1.00 14.30 H new ATOM 0 HA ASP A 65 8.079 2.095 -2.457 1.00 45.20 H new ATOM 0 HB2 ASP A 65 8.119 -0.776 -3.245 1.00 35.40 H new ATOM 0 HB3 ASP A 65 8.738 0.331 -4.453 1.00 35.40 H new ATOM 1006 N ARG A 66 5.776 1.081 -4.582 1.00 32.20 N ATOM 1007 CA ARG A 66 4.971 1.493 -5.726 1.00 25.50 C ATOM 1008 C ARG A 66 4.090 2.686 -5.368 1.00 33.20 C ATOM 1009 O ARG A 66 3.788 3.524 -6.217 1.00 14.20 O ATOM 1010 CB ARG A 66 4.104 0.331 -6.212 1.00 21.40 C ATOM 1011 CG ARG A 66 3.882 0.325 -7.716 1.00 3.13 C ATOM 1012 CD ARG A 66 3.803 -1.091 -8.262 1.00 72.10 C ATOM 1013 NE ARG A 66 3.276 -1.125 -9.624 1.00 51.20 N ATOM 1014 CZ ARG A 66 3.424 -2.157 -10.450 1.00 12.10 C ATOM 1015 NH1 ARG A 66 4.081 -3.242 -10.050 1.00 54.20 N ATOM 1016 NH2 ARG A 66 2.913 -2.105 -11.670 1.00 11.10 N ATOM 0 H ARG A 66 5.497 0.191 -4.169 1.00 32.20 H new ATOM 0 HA ARG A 66 5.648 1.791 -6.527 1.00 25.50 H new ATOM 0 HB2 ARG A 66 4.572 -0.608 -5.919 1.00 21.40 H new ATOM 0 HB3 ARG A 66 3.137 0.375 -5.711 1.00 21.40 H new ATOM 0 HG2 ARG A 66 2.961 0.858 -7.951 1.00 3.13 H new ATOM 0 HG3 ARG A 66 4.695 0.860 -8.207 1.00 3.13 H new ATOM 0 HD2 ARG A 66 4.796 -1.541 -8.246 1.00 72.10 H new ATOM 0 HD3 ARG A 66 3.169 -1.695 -7.613 1.00 72.10 H new ATOM 0 HE ARG A 66 2.765 -0.310 -9.961 1.00 51.20 H new ATOM 0 HH11 ARG A 66 4.472 -3.283 -9.109 1.00 54.20 H new ATOM 0 HH12 ARG A 66 4.194 -4.033 -10.684 1.00 54.20 H new ATOM 0 HH21 ARG A 66 2.406 -1.274 -11.976 1.00 11.10 H new ATOM 0 HH22 ARG A 66 3.026 -2.896 -12.304 1.00 11.10 H new ATOM 1030 N ALA A 67 3.680 2.755 -4.106 1.00 72.30 N ATOM 1031 CA ALA A 67 2.834 3.845 -3.636 1.00 25.40 C ATOM 1032 C ALA A 67 3.559 5.183 -3.731 1.00 31.30 C ATOM 1033 O ALA A 67 3.091 6.108 -4.396 1.00 62.30 O ATOM 1034 CB ALA A 67 2.386 3.586 -2.205 1.00 23.10 C ATOM 0 H ALA A 67 3.920 2.069 -3.391 1.00 72.30 H new ATOM 0 HA ALA A 67 1.954 3.892 -4.278 1.00 25.40 H new ATOM 0 HB1 ALA A 67 1.755 4.408 -1.867 1.00 23.10 H new ATOM 0 HB2 ALA A 67 1.822 2.654 -2.163 1.00 23.10 H new ATOM 0 HB3 ALA A 67 3.260 3.510 -1.558 1.00 23.10 H new ATOM 1040 N GLU A 68 4.704 5.280 -3.063 1.00 62.10 N ATOM 1041 CA GLU A 68 5.493 6.506 -3.073 1.00 64.30 C ATOM 1042 C GLU A 68 5.889 6.886 -4.496 1.00 30.10 C ATOM 1043 O GLU A 68 6.032 8.066 -4.817 1.00 11.40 O ATOM 1044 CB GLU A 68 6.745 6.340 -2.209 1.00 61.40 C ATOM 1045 CG GLU A 68 7.614 5.162 -2.616 1.00 52.20 C ATOM 1046 CD GLU A 68 8.596 5.514 -3.716 1.00 14.00 C ATOM 1047 OE1 GLU A 68 9.515 6.320 -3.455 1.00 25.30 O ATOM 1048 OE2 GLU A 68 8.447 4.985 -4.837 1.00 74.00 O ATOM 0 H GLU A 68 5.106 4.524 -2.508 1.00 62.10 H new ATOM 0 HA GLU A 68 4.879 7.307 -2.660 1.00 64.30 H new ATOM 0 HB2 GLU A 68 7.337 7.253 -2.263 1.00 61.40 H new ATOM 0 HB3 GLU A 68 6.444 6.216 -1.169 1.00 61.40 H new ATOM 0 HG2 GLU A 68 8.163 4.802 -1.746 1.00 52.20 H new ATOM 0 HG3 GLU A 68 6.977 4.344 -2.951 1.00 52.20 H new ATOM 1055 N LYS A 69 6.064 5.879 -5.346 1.00 33.20 N ATOM 1056 CA LYS A 69 6.442 6.108 -6.735 1.00 52.30 C ATOM 1057 C LYS A 69 5.296 6.748 -7.512 1.00 72.40 C ATOM 1058 O LYS A 69 5.520 7.517 -8.448 1.00 21.30 O ATOM 1059 CB LYS A 69 6.850 4.792 -7.398 1.00 62.00 C ATOM 1060 CG LYS A 69 7.877 4.961 -8.506 1.00 62.40 C ATOM 1061 CD LYS A 69 7.689 3.925 -9.603 1.00 41.50 C ATOM 1062 CE LYS A 69 8.886 3.881 -10.530 1.00 31.40 C ATOM 1063 NZ LYS A 69 8.661 4.690 -11.760 1.00 21.40 N ATOM 0 H LYS A 69 5.950 4.897 -5.097 1.00 33.20 H new ATOM 0 HA LYS A 69 7.291 6.791 -6.746 1.00 52.30 H new ATOM 0 HB2 LYS A 69 7.254 4.122 -6.639 1.00 62.00 H new ATOM 0 HB3 LYS A 69 5.962 4.311 -7.808 1.00 62.00 H new ATOM 0 HG2 LYS A 69 7.794 5.961 -8.931 1.00 62.40 H new ATOM 0 HG3 LYS A 69 8.881 4.874 -8.090 1.00 62.40 H new ATOM 0 HD2 LYS A 69 7.536 2.943 -9.156 1.00 41.50 H new ATOM 0 HD3 LYS A 69 6.791 4.158 -10.176 1.00 41.50 H new ATOM 0 HE2 LYS A 69 9.766 4.253 -10.006 1.00 31.40 H new ATOM 0 HE3 LYS A 69 9.094 2.847 -10.807 1.00 31.40 H new ATOM 0 HZ1 LYS A 69 9.502 4.636 -12.370 1.00 21.40 H new ATOM 0 HZ2 LYS A 69 7.836 4.319 -12.273 1.00 21.40 H new ATOM 0 HZ3 LYS A 69 8.488 5.681 -11.497 1.00 21.40 H new ATOM 1077 N LEU A 70 4.068 6.427 -7.118 1.00 63.30 N ATOM 1078 CA LEU A 70 2.887 6.971 -7.778 1.00 33.30 C ATOM 1079 C LEU A 70 2.624 8.404 -7.328 1.00 5.53 C ATOM 1080 O LEU A 70 2.379 9.288 -8.149 1.00 54.40 O ATOM 1081 CB LEU A 70 1.665 6.099 -7.484 1.00 44.30 C ATOM 1082 CG LEU A 70 1.679 4.720 -8.147 1.00 51.20 C ATOM 1083 CD1 LEU A 70 0.634 3.814 -7.515 1.00 23.00 C ATOM 1084 CD2 LEU A 70 1.441 4.849 -9.644 1.00 22.20 C ATOM 0 H LEU A 70 3.865 5.793 -6.345 1.00 63.30 H new ATOM 0 HA LEU A 70 3.071 6.975 -8.852 1.00 33.30 H new ATOM 0 HB2 LEU A 70 1.584 5.966 -6.405 1.00 44.30 H new ATOM 0 HB3 LEU A 70 0.771 6.632 -7.808 1.00 44.30 H new ATOM 0 HG LEU A 70 2.660 4.271 -7.992 1.00 51.20 H new ATOM 0 HD11 LEU A 70 0.658 2.838 -7.999 1.00 23.00 H new ATOM 0 HD12 LEU A 70 0.848 3.698 -6.453 1.00 23.00 H new ATOM 0 HD13 LEU A 70 -0.354 4.256 -7.640 1.00 23.00 H new ATOM 0 HD21 LEU A 70 1.454 3.860 -10.101 1.00 22.20 H new ATOM 0 HD22 LEU A 70 0.472 5.317 -9.819 1.00 22.20 H new ATOM 0 HD23 LEU A 70 2.226 5.463 -10.086 1.00 22.20 H new ATOM 1096 N LYS A 71 2.675 8.626 -6.019 1.00 34.10 N ATOM 1097 CA LYS A 71 2.443 9.953 -5.459 1.00 65.20 C ATOM 1098 C LYS A 71 3.460 10.955 -5.995 1.00 53.40 C ATOM 1099 O LYS A 71 3.160 12.140 -6.143 1.00 74.20 O ATOM 1100 CB LYS A 71 2.513 9.904 -3.932 1.00 72.20 C ATOM 1101 CG LYS A 71 1.851 11.093 -3.254 1.00 54.30 C ATOM 1102 CD LYS A 71 0.391 10.811 -2.937 1.00 34.00 C ATOM 1103 CE LYS A 71 -0.191 11.865 -2.010 1.00 43.40 C ATOM 1104 NZ LYS A 71 -1.472 11.419 -1.397 1.00 44.00 N ATOM 0 H LYS A 71 2.875 7.905 -5.326 1.00 34.10 H new ATOM 0 HA LYS A 71 1.447 10.278 -5.760 1.00 65.20 H new ATOM 0 HB2 LYS A 71 2.038 8.987 -3.584 1.00 72.20 H new ATOM 0 HB3 LYS A 71 3.558 9.857 -3.626 1.00 72.20 H new ATOM 0 HG2 LYS A 71 2.385 11.332 -2.334 1.00 54.30 H new ATOM 0 HG3 LYS A 71 1.922 11.968 -3.900 1.00 54.30 H new ATOM 0 HD2 LYS A 71 -0.184 10.781 -3.862 1.00 34.00 H new ATOM 0 HD3 LYS A 71 0.301 9.828 -2.474 1.00 34.00 H new ATOM 0 HE2 LYS A 71 0.528 12.093 -1.223 1.00 43.40 H new ATOM 0 HE3 LYS A 71 -0.357 12.787 -2.567 1.00 43.40 H new ATOM 0 HZ1 LYS A 71 -1.836 12.166 -0.772 1.00 44.00 H new ATOM 0 HZ2 LYS A 71 -2.167 11.225 -2.146 1.00 44.00 H new ATOM 0 HZ3 LYS A 71 -1.309 10.553 -0.844 1.00 44.00 H new ATOM 1118 N ASP A 72 4.664 10.472 -6.284 1.00 22.00 N ATOM 1119 CA ASP A 72 5.725 11.325 -6.805 1.00 60.30 C ATOM 1120 C ASP A 72 5.541 11.574 -8.298 1.00 74.10 C ATOM 1121 O ASP A 72 5.906 12.632 -8.811 1.00 44.30 O ATOM 1122 CB ASP A 72 7.092 10.689 -6.546 1.00 1.44 C ATOM 1123 CG ASP A 72 7.643 11.039 -5.178 1.00 45.10 C ATOM 1124 OD1 ASP A 72 7.119 10.513 -4.174 1.00 21.30 O ATOM 1125 OD2 ASP A 72 8.600 11.839 -5.110 1.00 64.20 O ATOM 0 H ASP A 72 4.929 9.494 -6.166 1.00 22.00 H new ATOM 0 HA ASP A 72 5.673 12.283 -6.288 1.00 60.30 H new ATOM 0 HB2 ASP A 72 7.008 9.606 -6.635 1.00 1.44 H new ATOM 0 HB3 ASP A 72 7.794 11.018 -7.312 1.00 1.44 H new ATOM 1130 N TYR A 73 4.973 10.592 -8.991 1.00 41.00 N ATOM 1131 CA TYR A 73 4.740 10.705 -10.420 1.00 14.10 C ATOM 1132 C TYR A 73 3.825 11.885 -10.730 1.00 2.24 C ATOM 1133 O TYR A 73 4.073 12.645 -11.670 1.00 42.10 O ATOM 1134 CB TYR A 73 4.127 9.412 -10.960 1.00 40.50 C ATOM 1135 CG TYR A 73 3.887 9.434 -12.460 1.00 75.40 C ATOM 1136 CD1 TYR A 73 2.761 10.048 -12.990 1.00 1.15 C ATOM 1137 CD2 TYR A 73 4.787 8.841 -13.330 1.00 35.30 C ATOM 1138 CE1 TYR A 73 2.538 10.070 -14.350 1.00 20.40 C ATOM 1139 CE2 TYR A 73 4.572 8.859 -14.700 1.00 52.00 C ATOM 1140 CZ TYR A 73 3.446 9.474 -15.200 1.00 0.03 C ATOM 1141 OH TYR A 73 3.227 9.494 -16.560 1.00 33.20 O ATOM 0 H TYR A 73 4.666 9.709 -8.582 1.00 41.00 H new ATOM 0 HA TYR A 73 5.699 10.876 -10.908 1.00 14.10 H new ATOM 0 HB2 TYR A 73 4.786 8.578 -10.718 1.00 40.50 H new ATOM 0 HB3 TYR A 73 3.181 9.228 -10.451 1.00 40.50 H new ATOM 0 HD1 TYR A 73 2.049 10.516 -12.327 1.00 1.15 H new ATOM 0 HD2 TYR A 73 5.669 8.358 -12.936 1.00 35.30 H new ATOM 0 HE1 TYR A 73 1.657 10.551 -14.748 1.00 20.40 H new ATOM 0 HE2 TYR A 73 5.282 8.395 -15.369 1.00 52.00 H new ATOM 0 HH TYR A 73 3.961 9.032 -17.016 1.00 33.20 H new ATOM 1151 N LEU A 74 2.767 12.032 -9.947 1.00 41.20 N ATOM 1152 CA LEU A 74 1.815 13.119 -10.130 1.00 31.10 C ATOM 1153 C LEU A 74 2.364 14.428 -9.580 1.00 32.40 C ATOM 1154 O LEU A 74 2.074 15.506 -10.090 1.00 74.30 O ATOM 1155 CB LEU A 74 0.483 12.784 -9.465 1.00 40.00 C ATOM 1156 CG LEU A 74 -0.379 11.762 -10.200 1.00 71.20 C ATOM 1157 CD1 LEU A 74 -1.242 10.980 -9.231 1.00 13.10 C ATOM 1158 CD2 LEU A 74 -1.245 12.455 -11.250 1.00 53.20 C ATOM 0 H LEU A 74 2.544 11.407 -9.172 1.00 41.20 H new ATOM 0 HA LEU A 74 1.651 13.242 -11.201 1.00 31.10 H new ATOM 0 HB2 LEU A 74 0.682 12.410 -8.461 1.00 40.00 H new ATOM 0 HB3 LEU A 74 -0.090 13.705 -9.355 1.00 40.00 H new ATOM 0 HG LEU A 74 0.284 11.058 -10.703 1.00 71.20 H new ATOM 0 HD11 LEU A 74 -1.846 10.259 -9.782 1.00 13.10 H new ATOM 0 HD12 LEU A 74 -0.605 10.453 -8.521 1.00 13.10 H new ATOM 0 HD13 LEU A 74 -1.897 11.665 -8.692 1.00 13.10 H new ATOM 0 HD21 LEU A 74 -1.854 11.713 -11.766 1.00 53.20 H new ATOM 0 HD22 LEU A 74 -1.894 13.183 -10.763 1.00 53.20 H new ATOM 0 HD23 LEU A 74 -0.605 12.964 -11.971 1.00 53.20 H new ATOM 1170 N ARG A 75 3.159 14.326 -8.520 1.00 20.40 N ATOM 1171 CA ARG A 75 3.750 15.502 -7.891 1.00 13.40 C ATOM 1172 C ARG A 75 4.870 16.075 -8.753 1.00 32.50 C ATOM 1173 O ARG A 75 5.104 17.284 -8.760 1.00 10.50 O ATOM 1174 CB ARG A 75 4.288 15.148 -6.504 1.00 4.52 C ATOM 1175 CG ARG A 75 3.265 15.317 -5.393 1.00 73.10 C ATOM 1176 CD ARG A 75 3.619 14.475 -4.178 1.00 12.10 C ATOM 1177 NE ARG A 75 3.297 15.157 -2.926 1.00 2.24 N ATOM 1178 CZ ARG A 75 4.048 16.115 -2.390 1.00 21.30 C ATOM 1179 NH1 ARG A 75 5.165 16.507 -2.990 1.00 24.00 N ATOM 1180 NH2 ARG A 75 3.682 16.684 -1.249 1.00 24.20 N ATOM 0 H ARG A 75 3.409 13.441 -8.078 1.00 20.40 H new ATOM 0 HA ARG A 75 2.972 16.258 -7.789 1.00 13.40 H new ATOM 0 HB2 ARG A 75 4.637 14.115 -6.511 1.00 4.52 H new ATOM 0 HB3 ARG A 75 5.153 15.775 -6.288 1.00 4.52 H new ATOM 0 HG2 ARG A 75 3.208 16.367 -5.106 1.00 73.10 H new ATOM 0 HG3 ARG A 75 2.278 15.033 -5.759 1.00 73.10 H new ATOM 0 HD2 ARG A 75 3.081 13.528 -4.224 1.00 12.10 H new ATOM 0 HD3 ARG A 75 4.683 14.238 -4.199 1.00 12.10 H new ATOM 0 HE ARG A 75 2.447 14.882 -2.435 1.00 2.24 H new ATOM 0 HH11 ARG A 75 5.452 16.073 -3.867 1.00 24.00 H new ATOM 0 HH12 ARG A 75 5.737 17.242 -2.574 1.00 24.00 H new ATOM 0 HH21 ARG A 75 2.825 16.387 -0.783 1.00 24.20 H new ATOM 0 HH22 ARG A 75 4.258 17.419 -0.838 1.00 24.20 H new ATOM 1195 N GLU B 115 10.022 -5.536 10.225 1.00 63.10 N ATOM 1196 CA GLU B 115 8.728 -4.944 9.910 1.00 60.30 C ATOM 1197 C GLU B 115 8.718 -3.453 10.233 1.00 23.20 C ATOM 1198 O GLU B 115 8.034 -2.670 9.574 1.00 31.30 O ATOM 1199 CB GLU B 115 7.616 -5.653 10.687 1.00 64.30 C ATOM 1200 CG GLU B 115 7.872 -5.728 12.183 1.00 42.20 C ATOM 1201 CD GLU B 115 8.393 -7.084 12.617 1.00 61.30 C ATOM 1202 OE1 GLU B 115 9.616 -7.313 12.510 1.00 62.30 O ATOM 1203 OE2 GLU B 115 7.578 -7.917 13.066 1.00 23.40 O ATOM 0 HA GLU B 115 8.551 -5.067 8.842 1.00 60.30 H new ATOM 0 HB2 GLU B 115 6.674 -5.132 10.514 1.00 64.30 H new ATOM 0 HB3 GLU B 115 7.498 -6.664 10.296 1.00 64.30 H new ATOM 0 HG2 GLU B 115 8.592 -4.959 12.464 1.00 42.20 H new ATOM 0 HG3 GLU B 115 6.948 -5.510 12.718 1.00 42.20 H new ATOM 1210 N ASP B 116 9.481 -3.068 11.251 1.00 32.00 N ATOM 1211 CA ASP B 116 9.560 -1.671 11.662 1.00 33.20 C ATOM 1212 C ASP B 116 10.199 -0.818 10.572 1.00 62.20 C ATOM 1213 O ASP B 116 9.885 0.364 10.430 1.00 53.10 O ATOM 1214 CB ASP B 116 10.359 -1.544 12.960 1.00 43.20 C ATOM 1215 CG ASP B 116 9.830 -0.446 13.860 1.00 23.50 C ATOM 1216 OD1 ASP B 116 9.136 0.459 13.348 1.00 34.00 O ATOM 1217 OD2 ASP B 116 10.108 -0.489 15.077 1.00 71.10 O ATOM 0 H ASP B 116 10.053 -3.704 11.806 1.00 32.00 H new ATOM 0 HA ASP B 116 8.545 -1.310 11.831 1.00 33.20 H new ATOM 0 HB2 ASP B 116 10.331 -2.493 13.495 1.00 43.20 H new ATOM 0 HB3 ASP B 116 11.404 -1.343 12.722 1.00 43.20 H new ATOM 1222 N GLN B 117 11.099 -1.423 9.803 1.00 33.20 N ATOM 1223 CA GLN B 117 11.783 -0.718 8.725 1.00 14.30 C ATOM 1224 C GLN B 117 10.784 -0.181 7.705 1.00 31.50 C ATOM 1225 O GLN B 117 10.702 1.026 7.478 1.00 72.10 O ATOM 1226 CB GLN B 117 12.785 -1.645 8.036 1.00 22.50 C ATOM 1227 CG GLN B 117 14.043 -0.936 7.561 1.00 14.40 C ATOM 1228 CD GLN B 117 14.509 -1.424 6.203 1.00 71.10 C ATOM 1229 OE1 GLN B 117 14.683 -0.637 5.273 1.00 13.30 O ATOM 1230 NE2 GLN B 117 14.715 -2.731 6.083 1.00 45.40 N ATOM 0 H GLN B 117 11.372 -2.400 9.907 1.00 33.20 H new ATOM 0 HA GLN B 117 12.319 0.126 9.160 1.00 14.30 H new ATOM 0 HB2 GLN B 117 13.065 -2.441 8.726 1.00 22.50 H new ATOM 0 HB3 GLN B 117 12.301 -2.119 7.182 1.00 22.50 H new ATOM 0 HG2 GLN B 117 13.855 0.137 7.513 1.00 14.40 H new ATOM 0 HG3 GLN B 117 14.839 -1.088 8.290 1.00 14.40 H new ATOM 0 HE21 GLN B 117 14.558 -3.347 6.880 1.00 45.40 H new ATOM 0 HE22 GLN B 117 15.030 -3.118 5.193 1.00 45.40 H new ATOM 1239 N LEU B 118 10.028 -1.086 7.092 1.00 73.40 N ATOM 1240 CA LEU B 118 9.034 -0.703 6.096 1.00 45.40 C ATOM 1241 C LEU B 118 7.824 -0.051 6.757 1.00 44.30 C ATOM 1242 O LEU B 118 7.180 0.820 6.172 1.00 61.40 O ATOM 1243 CB LEU B 118 8.592 -1.926 5.289 1.00 32.50 C ATOM 1244 CG LEU B 118 7.938 -3.040 6.107 1.00 15.20 C ATOM 1245 CD1 LEU B 118 6.801 -3.681 5.326 1.00 2.33 C ATOM 1246 CD2 LEU B 118 8.970 -4.086 6.503 1.00 54.20 C ATOM 0 H LEU B 118 10.085 -2.089 7.267 1.00 73.40 H new ATOM 0 HA LEU B 118 9.492 0.022 5.423 1.00 45.40 H new ATOM 0 HB2 LEU B 118 7.891 -1.601 4.520 1.00 32.50 H new ATOM 0 HB3 LEU B 118 9.461 -2.336 4.775 1.00 32.50 H new ATOM 0 HG LEU B 118 7.525 -2.602 7.016 1.00 15.20 H new ATOM 0 HD11 LEU B 118 6.348 -4.471 5.925 1.00 2.33 H new ATOM 0 HD12 LEU B 118 6.049 -2.927 5.093 1.00 2.33 H new ATOM 0 HD13 LEU B 118 7.189 -4.105 4.400 1.00 2.33 H new ATOM 0 HD21 LEU B 118 8.487 -4.871 7.085 1.00 54.20 H new ATOM 0 HD22 LEU B 118 9.412 -4.519 5.606 1.00 54.20 H new ATOM 0 HD23 LEU B 118 9.751 -3.618 7.103 1.00 54.20 H new ATOM 1258 N SER B 119 7.522 -0.477 7.978 1.00 41.20 N ATOM 1259 CA SER B 119 6.389 0.066 8.719 1.00 23.00 C ATOM 1260 C SER B 119 6.556 1.565 8.945 1.00 63.50 C ATOM 1261 O SER B 119 5.608 2.335 8.796 1.00 72.20 O ATOM 1262 CB SER B 119 6.239 -0.650 10.062 1.00 63.30 C ATOM 1263 OG SER B 119 5.179 -0.095 10.821 1.00 3.20 O ATOM 0 H SER B 119 8.046 -1.197 8.476 1.00 41.20 H new ATOM 0 HA SER B 119 5.489 -0.097 8.127 1.00 23.00 H new ATOM 0 HB2 SER B 119 6.053 -1.711 9.893 1.00 63.30 H new ATOM 0 HB3 SER B 119 7.170 -0.575 10.623 1.00 63.30 H new ATOM 0 HG SER B 119 5.103 -0.571 11.674 1.00 3.20 H new ATOM 1269 N ARG B 120 7.769 1.973 9.306 1.00 11.30 N ATOM 1270 CA ARG B 120 8.061 3.380 9.552 1.00 24.50 C ATOM 1271 C ARG B 120 8.002 4.183 8.257 1.00 50.30 C ATOM 1272 O ARG B 120 7.402 5.257 8.207 1.00 62.20 O ATOM 1273 CB ARG B 120 9.440 3.531 10.197 1.00 21.50 C ATOM 1274 CG ARG B 120 9.411 3.473 11.715 1.00 50.40 C ATOM 1275 CD ARG B 120 10.725 2.956 12.278 1.00 21.50 C ATOM 1276 NE ARG B 120 11.089 3.628 13.523 1.00 2.22 N ATOM 1277 CZ ARG B 120 11.632 4.842 13.580 1.00 54.30 C ATOM 1278 NH1 ARG B 120 11.874 5.521 12.465 1.00 21.10 N ATOM 1279 NH2 ARG B 120 11.932 5.380 14.754 1.00 63.50 N ATOM 0 H ARG B 120 8.565 1.349 9.434 1.00 11.30 H new ATOM 0 HA ARG B 120 7.304 3.768 10.233 1.00 24.50 H new ATOM 0 HB2 ARG B 120 10.095 2.743 9.824 1.00 21.50 H new ATOM 0 HB3 ARG B 120 9.875 4.481 9.886 1.00 21.50 H new ATOM 0 HG2 ARG B 120 9.209 4.467 12.114 1.00 50.40 H new ATOM 0 HG3 ARG B 120 8.595 2.827 12.040 1.00 50.40 H new ATOM 0 HD2 ARG B 120 10.647 1.883 12.455 1.00 21.50 H new ATOM 0 HD3 ARG B 120 11.517 3.101 11.543 1.00 21.50 H new ATOM 0 HE ARG B 120 10.917 3.138 14.401 1.00 2.22 H new ATOM 0 HH11 ARG B 120 11.644 5.113 11.559 1.00 21.10 H new ATOM 0 HH12 ARG B 120 12.290 6.451 12.514 1.00 21.10 H new ATOM 0 HH21 ARG B 120 11.747 4.864 15.614 1.00 63.50 H new ATOM 0 HH22 ARG B 120 12.348 6.310 14.797 1.00 63.50 H new ATOM 1293 N ARG B 121 8.627 3.654 7.210 1.00 70.30 N ATOM 1294 CA ARG B 121 8.646 4.322 5.914 1.00 3.14 C ATOM 1295 C ARG B 121 7.230 4.503 5.376 1.00 43.20 C ATOM 1296 O ARG B 121 6.903 5.540 4.798 1.00 71.10 O ATOM 1297 CB ARG B 121 9.484 3.521 4.916 1.00 1.41 C ATOM 1298 CG ARG B 121 10.942 3.380 5.322 1.00 31.50 C ATOM 1299 CD ARG B 121 11.614 2.227 4.594 1.00 11.10 C ATOM 1300 NE ARG B 121 11.647 2.436 3.149 1.00 60.10 N ATOM 1301 CZ ARG B 121 12.519 3.231 2.534 1.00 30.50 C ATOM 1302 NH1 ARG B 121 13.432 3.893 3.235 1.00 1.12 N ATOM 1303 NH2 ARG B 121 12.480 3.364 1.216 1.00 74.40 N ATOM 0 H ARG B 121 9.127 2.765 7.234 1.00 70.30 H new ATOM 0 HA ARG B 121 9.095 5.306 6.047 1.00 3.14 H new ATOM 0 HB2 ARG B 121 9.049 2.528 4.803 1.00 1.41 H new ATOM 0 HB3 ARG B 121 9.432 4.004 3.940 1.00 1.41 H new ATOM 0 HG2 ARG B 121 11.472 4.307 5.105 1.00 31.50 H new ATOM 0 HG3 ARG B 121 11.007 3.220 6.398 1.00 31.50 H new ATOM 0 HD2 ARG B 121 12.632 2.107 4.966 1.00 11.10 H new ATOM 0 HD3 ARG B 121 11.083 1.301 4.814 1.00 11.10 H new ATOM 0 HE ARG B 121 10.961 1.943 2.577 1.00 60.10 H new ATOM 0 HH11 ARG B 121 13.467 3.793 4.250 1.00 1.12 H new ATOM 0 HH12 ARG B 121 14.098 4.501 2.759 1.00 1.12 H new ATOM 0 HH21 ARG B 121 11.781 2.857 0.673 1.00 74.40 H new ATOM 0 HH22 ARG B 121 13.149 3.974 0.745 1.00 74.40 H new ATOM 1317 N LEU B 122 6.394 3.488 5.569 1.00 0.14 N ATOM 1318 CA LEU B 122 5.013 3.536 5.103 1.00 43.40 C ATOM 1319 C LEU B 122 4.249 4.666 5.784 1.00 61.30 C ATOM 1320 O LEU B 122 3.419 5.330 5.162 1.00 30.40 O ATOM 1321 CB LEU B 122 4.317 2.200 5.370 1.00 41.30 C ATOM 1322 CG LEU B 122 2.955 2.033 4.693 1.00 34.10 C ATOM 1323 CD1 LEU B 122 2.719 0.578 4.321 1.00 20.50 C ATOM 1324 CD2 LEU B 122 1.845 2.540 5.601 1.00 23.10 C ATOM 0 H LEU B 122 6.649 2.622 6.045 1.00 0.14 H new ATOM 0 HA LEU B 122 5.023 3.724 4.029 1.00 43.40 H new ATOM 0 HB2 LEU B 122 4.972 1.394 5.039 1.00 41.30 H new ATOM 0 HB3 LEU B 122 4.188 2.084 6.446 1.00 41.30 H new ATOM 0 HG LEU B 122 2.949 2.625 3.778 1.00 34.10 H new ATOM 0 HD11 LEU B 122 1.746 0.479 3.841 1.00 20.50 H new ATOM 0 HD12 LEU B 122 3.498 0.247 3.634 1.00 20.50 H new ATOM 0 HD13 LEU B 122 2.744 -0.036 5.221 1.00 20.50 H new ATOM 0 HD21 LEU B 122 0.883 2.414 5.105 1.00 23.10 H new ATOM 0 HD22 LEU B 122 1.850 1.974 6.532 1.00 23.10 H new ATOM 0 HD23 LEU B 122 2.006 3.596 5.818 1.00 23.10 H new ATOM 1336 N ALA B 123 4.534 4.880 7.064 1.00 0.42 N ATOM 1337 CA ALA B 123 3.873 5.930 7.829 1.00 71.30 C ATOM 1338 C ALA B 123 4.125 7.301 7.210 1.00 62.20 C ATOM 1339 O ALA B 123 3.196 8.084 7.013 1.00 3.44 O ATOM 1340 CB ALA B 123 4.347 5.907 9.275 1.00 50.00 C ATOM 0 H ALA B 123 5.219 4.340 7.593 1.00 0.42 H new ATOM 0 HA ALA B 123 2.800 5.741 7.807 1.00 71.30 H new ATOM 0 HB1 ALA B 123 3.845 6.696 9.835 1.00 50.00 H new ATOM 0 HB2 ALA B 123 4.111 4.940 9.720 1.00 50.00 H new ATOM 0 HB3 ALA B 123 5.425 6.068 9.307 1.00 50.00 H new ATOM 1346 N ALA B 124 5.387 7.584 6.904 1.00 42.00 N ATOM 1347 CA ALA B 124 5.760 8.860 6.307 1.00 25.40 C ATOM 1348 C ALA B 124 5.070 9.058 4.961 1.00 33.40 C ATOM 1349 O ALA B 124 4.776 10.186 4.564 1.00 71.20 O ATOM 1350 CB ALA B 124 7.271 8.944 6.145 1.00 23.00 C ATOM 0 H ALA B 124 6.168 6.947 7.060 1.00 42.00 H new ATOM 0 HA ALA B 124 5.432 9.656 6.975 1.00 25.40 H new ATOM 0 HB1 ALA B 124 7.536 9.902 5.698 1.00 23.00 H new ATOM 0 HB2 ALA B 124 7.747 8.855 7.121 1.00 23.00 H new ATOM 0 HB3 ALA B 124 7.613 8.135 5.499 1.00 23.00 H new ATOM 1356 N LEU B 125 4.815 7.956 4.264 1.00 24.20 N ATOM 1357 CA LEU B 125 4.159 8.009 2.963 1.00 73.30 C ATOM 1358 C LEU B 125 2.778 8.646 3.075 1.00 63.30 C ATOM 1359 O LEU B 125 2.492 9.649 2.421 1.00 15.10 O ATOM 1360 CB LEU B 125 4.038 6.603 2.372 1.00 14.30 C ATOM 1361 CG LEU B 125 3.760 6.554 0.869 1.00 23.10 C ATOM 1362 CD1 LEU B 125 4.378 5.309 0.252 1.00 2.04 C ATOM 1363 CD2 LEU B 125 2.262 6.595 0.604 1.00 35.30 C ATOM 0 H LEU B 125 5.053 7.015 4.578 1.00 24.20 H new ATOM 0 HA LEU B 125 4.770 8.623 2.301 1.00 73.30 H new ATOM 0 HB2 LEU B 125 4.962 6.060 2.573 1.00 14.30 H new ATOM 0 HB3 LEU B 125 3.238 6.075 2.891 1.00 14.30 H new ATOM 0 HG LEU B 125 4.216 7.429 0.405 1.00 23.10 H new ATOM 0 HD11 LEU B 125 4.170 5.291 -0.818 1.00 2.04 H new ATOM 0 HD12 LEU B 125 5.456 5.321 0.412 1.00 2.04 H new ATOM 0 HD13 LEU B 125 3.952 4.421 0.719 1.00 2.04 H new ATOM 0 HD21 LEU B 125 2.081 6.559 -0.470 1.00 35.30 H new ATOM 0 HD22 LEU B 125 1.785 5.739 1.081 1.00 35.30 H new ATOM 0 HD23 LEU B 125 1.845 7.516 1.012 1.00 35.30 H new