USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 580 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 7 THR OG1 : rot -143:sc= 0.159 USER MOD Set 1.2: A 65 TYR OH : rot 133:sc= 1.09 USER MOD Set 2.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 57 SER OG : rot -34:sc= 0.202 USER MOD Set 3.1: A 39 ASN : amide:sc= 0.849 K(o=0.56,f=-4.9!) USER MOD Set 3.2: A 41 ASN : amide:sc= -0.292 X(o=0.56,f=0.44) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0919 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 8 TYR OH : rot 107:sc= 0.24 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot -92:sc= 0.0651 USER MOD Single : A 20 GLN : amide:sc= 0.252 X(o=0.25,f=-0.0067) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= 1.27 (180deg=-0.588) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.43) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0.064 (180deg=-0.0634) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00557) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.535 6.277 12.561 1.00 0.00 N ATOM 2 CA GLY A 1 9.965 5.944 12.470 1.00 0.00 C ATOM 3 C GLY A 1 10.455 6.059 11.034 1.00 0.00 C ATOM 4 O GLY A 1 9.658 6.232 10.120 1.00 0.00 O ATOM 0 H1 GLY A 1 8.412 7.120 13.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.162 6.469 11.609 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.018 5.478 12.980 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.540 6.613 13.110 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.131 4.931 12.836 1.00 0.00 H new ATOM 8 N MET A 2 11.766 5.935 10.808 1.00 0.00 N ATOM 9 CA MET A 2 12.394 6.188 9.506 1.00 0.00 C ATOM 10 C MET A 2 12.469 4.967 8.583 1.00 0.00 C ATOM 11 O MET A 2 13.067 5.055 7.516 1.00 0.00 O ATOM 12 CB MET A 2 13.780 6.827 9.708 1.00 0.00 C ATOM 13 CG MET A 2 14.762 5.936 10.477 1.00 0.00 C ATOM 14 SD MET A 2 14.574 5.956 12.281 1.00 0.00 S ATOM 15 CE MET A 2 15.935 4.850 12.745 1.00 0.00 C ATOM 0 H MET A 2 12.429 5.653 11.530 1.00 0.00 H new ATOM 0 HA MET A 2 11.739 6.885 8.983 1.00 0.00 H new ATOM 0 HB2 MET A 2 14.206 7.066 8.733 1.00 0.00 H new ATOM 0 HB3 MET A 2 13.662 7.769 10.243 1.00 0.00 H new ATOM 0 HG2 MET A 2 14.647 4.910 10.127 1.00 0.00 H new ATOM 0 HG3 MET A 2 15.778 6.245 10.230 1.00 0.00 H new ATOM 0 HE1 MET A 2 15.967 4.748 13.830 1.00 0.00 H new ATOM 0 HE2 MET A 2 15.778 3.871 12.293 1.00 0.00 H new ATOM 0 HE3 MET A 2 16.879 5.266 12.392 1.00 0.00 H new ATOM 25 N VAL A 3 11.855 3.852 8.963 1.00 0.00 N ATOM 26 CA VAL A 3 11.677 2.687 8.102 1.00 0.00 C ATOM 27 C VAL A 3 10.776 3.104 6.936 1.00 0.00 C ATOM 28 O VAL A 3 9.603 3.420 7.126 1.00 0.00 O ATOM 29 CB VAL A 3 11.158 1.486 8.923 1.00 0.00 C ATOM 30 CG1 VAL A 3 9.990 1.802 9.876 1.00 0.00 C ATOM 31 CG2 VAL A 3 10.782 0.310 8.012 1.00 0.00 C ATOM 0 H VAL A 3 11.459 3.730 9.895 1.00 0.00 H new ATOM 0 HA VAL A 3 12.621 2.343 7.679 1.00 0.00 H new ATOM 0 HB VAL A 3 11.999 1.214 9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.698 0.896 10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.302 2.559 10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 3 9.142 2.175 9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.420 -0.520 8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.999 0.621 7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 3 11.659 -0.008 7.448 1.00 0.00 H new ATOM 41 N LYS A 4 11.349 3.173 5.735 1.00 0.00 N ATOM 42 CA LYS A 4 10.670 3.560 4.501 1.00 0.00 C ATOM 43 C LYS A 4 11.364 2.947 3.287 1.00 0.00 C ATOM 44 O LYS A 4 11.441 3.558 2.221 1.00 0.00 O ATOM 45 CB LYS A 4 10.546 5.088 4.441 1.00 0.00 C ATOM 46 CG LYS A 4 11.890 5.830 4.505 1.00 0.00 C ATOM 47 CD LYS A 4 11.707 7.202 5.145 1.00 0.00 C ATOM 48 CE LYS A 4 13.071 7.805 5.477 1.00 0.00 C ATOM 49 NZ LYS A 4 12.999 9.275 5.621 1.00 0.00 N ATOM 0 H LYS A 4 12.334 2.953 5.590 1.00 0.00 H new ATOM 0 HA LYS A 4 9.656 3.161 4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.034 5.364 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.918 5.423 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.609 5.246 5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.300 5.941 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.164 7.860 4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.108 7.114 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.447 7.367 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.782 7.551 4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.943 9.648 5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.664 9.695 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.339 9.517 6.388 1.00 0.00 H new ATOM 63 N GLU A 5 11.903 1.740 3.442 1.00 0.00 N ATOM 64 CA GLU A 5 12.442 0.941 2.338 1.00 0.00 C ATOM 65 C GLU A 5 11.809 -0.454 2.327 1.00 0.00 C ATOM 66 O GLU A 5 12.350 -1.406 1.768 1.00 0.00 O ATOM 67 CB GLU A 5 13.978 0.929 2.435 1.00 0.00 C ATOM 68 CG GLU A 5 14.521 0.255 3.704 1.00 0.00 C ATOM 69 CD GLU A 5 16.050 0.144 3.657 1.00 0.00 C ATOM 70 OE1 GLU A 5 16.578 -0.655 2.847 1.00 0.00 O ATOM 71 OE2 GLU A 5 16.712 0.879 4.431 1.00 0.00 O ATOM 0 H GLU A 5 11.980 1.281 4.350 1.00 0.00 H new ATOM 0 HA GLU A 5 12.184 1.385 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.382 0.416 1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.342 1.956 2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.221 0.829 4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.084 -0.738 3.808 1.00 0.00 H new ATOM 78 N THR A 6 10.624 -0.530 2.920 1.00 0.00 N ATOM 79 CA THR A 6 9.785 -1.707 3.068 1.00 0.00 C ATOM 80 C THR A 6 9.117 -2.034 1.734 1.00 0.00 C ATOM 81 O THR A 6 8.979 -1.167 0.860 1.00 0.00 O ATOM 82 CB THR A 6 8.716 -1.457 4.163 1.00 0.00 C ATOM 83 OG1 THR A 6 8.763 -0.140 4.708 1.00 0.00 O ATOM 84 CG2 THR A 6 8.861 -2.475 5.299 1.00 0.00 C ATOM 0 H THR A 6 10.194 0.294 3.341 1.00 0.00 H new ATOM 0 HA THR A 6 10.400 -2.555 3.369 1.00 0.00 H new ATOM 0 HB THR A 6 7.751 -1.573 3.670 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.066 -0.043 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.102 -2.284 6.058 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.733 -3.482 4.903 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.851 -2.384 5.745 1.00 0.00 H new ATOM 92 N THR A 7 8.613 -3.263 1.632 1.00 0.00 N ATOM 93 CA THR A 7 7.722 -3.627 0.551 1.00 0.00 C ATOM 94 C THR A 7 6.388 -2.899 0.728 1.00 0.00 C ATOM 95 O THR A 7 6.102 -2.246 1.738 1.00 0.00 O ATOM 96 CB THR A 7 7.589 -5.158 0.484 1.00 0.00 C ATOM 97 OG1 THR A 7 7.111 -5.610 -0.763 1.00 0.00 O ATOM 98 CG2 THR A 7 6.731 -5.749 1.604 1.00 0.00 C ATOM 0 H THR A 7 8.811 -4.018 2.289 1.00 0.00 H new ATOM 0 HA THR A 7 8.125 -3.312 -0.412 1.00 0.00 H new ATOM 0 HB THR A 7 8.608 -5.519 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.514 -6.375 -0.627 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.682 -6.832 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.173 -5.503 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.725 -5.333 1.550 1.00 0.00 H new ATOM 106 N TYR A 8 5.544 -3.081 -0.274 1.00 0.00 N ATOM 107 CA TYR A 8 4.291 -2.356 -0.456 1.00 0.00 C ATOM 108 C TYR A 8 3.296 -2.565 0.694 1.00 0.00 C ATOM 109 O TYR A 8 2.463 -1.698 0.960 1.00 0.00 O ATOM 110 CB TYR A 8 3.680 -2.781 -1.793 1.00 0.00 C ATOM 111 CG TYR A 8 4.501 -2.468 -3.024 1.00 0.00 C ATOM 112 CD1 TYR A 8 4.973 -1.164 -3.270 1.00 0.00 C ATOM 113 CD2 TYR A 8 4.758 -3.497 -3.949 1.00 0.00 C ATOM 114 CE1 TYR A 8 5.706 -0.891 -4.440 1.00 0.00 C ATOM 115 CE2 TYR A 8 5.491 -3.229 -5.116 1.00 0.00 C ATOM 116 CZ TYR A 8 5.978 -1.925 -5.363 1.00 0.00 C ATOM 117 OH TYR A 8 6.696 -1.662 -6.491 1.00 0.00 O ATOM 0 H TYR A 8 5.717 -3.763 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 8 4.512 -1.289 -0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.501 -3.856 -1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.708 -2.299 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.773 -0.374 -2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.391 -4.495 -3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.061 0.111 -4.632 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.683 -4.020 -5.826 1.00 0.00 H new ATOM 0 HH TYR A 8 7.594 -2.044 -6.404 1.00 0.00 H new ATOM 127 N TYR A 9 3.387 -3.687 1.407 1.00 0.00 N ATOM 128 CA TYR A 9 2.538 -3.985 2.553 1.00 0.00 C ATOM 129 C TYR A 9 2.703 -2.954 3.675 1.00 0.00 C ATOM 130 O TYR A 9 1.710 -2.356 4.098 1.00 0.00 O ATOM 131 CB TYR A 9 2.818 -5.410 3.051 1.00 0.00 C ATOM 132 CG TYR A 9 2.328 -6.538 2.150 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.051 -6.496 1.554 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.163 -7.646 1.902 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.596 -7.570 0.771 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.702 -8.735 1.144 1.00 0.00 C ATOM 137 CZ TYR A 9 1.401 -8.719 0.601 1.00 0.00 C ATOM 138 OH TYR A 9 0.911 -9.830 -0.019 1.00 0.00 O ATOM 0 H TYR A 9 4.063 -4.423 1.200 1.00 0.00 H new ATOM 0 HA TYR A 9 1.498 -3.924 2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.894 -5.522 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.358 -5.528 4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.419 -5.633 1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.167 -7.658 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.373 -7.517 0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.345 -9.586 0.977 1.00 0.00 H new ATOM 0 HH TYR A 9 1.605 -10.522 -0.047 1.00 0.00 H new ATOM 148 N ASP A 10 3.929 -2.717 4.155 1.00 0.00 N ATOM 149 CA ASP A 10 4.114 -1.810 5.292 1.00 0.00 C ATOM 150 C ASP A 10 3.876 -0.364 4.874 1.00 0.00 C ATOM 151 O ASP A 10 3.500 0.460 5.710 1.00 0.00 O ATOM 152 CB ASP A 10 5.499 -1.916 5.932 1.00 0.00 C ATOM 153 CG ASP A 10 5.383 -2.114 7.454 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.197 -1.121 8.199 1.00 0.00 O ATOM 155 OD2 ASP A 10 5.530 -3.252 7.951 1.00 0.00 O ATOM 0 H ASP A 10 4.786 -3.128 3.786 1.00 0.00 H new ATOM 0 HA ASP A 10 3.379 -2.118 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.045 -2.751 5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.073 -1.013 5.721 1.00 0.00 H new ATOM 160 N VAL A 11 4.036 -0.053 3.582 1.00 0.00 N ATOM 161 CA VAL A 11 3.627 1.230 3.031 1.00 0.00 C ATOM 162 C VAL A 11 2.142 1.440 3.314 1.00 0.00 C ATOM 163 O VAL A 11 1.739 2.479 3.836 1.00 0.00 O ATOM 164 CB VAL A 11 3.954 1.313 1.520 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.357 2.551 0.836 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.463 1.287 1.261 1.00 0.00 C ATOM 0 H VAL A 11 4.451 -0.685 2.898 1.00 0.00 H new ATOM 0 HA VAL A 11 4.186 2.034 3.510 1.00 0.00 H new ATOM 0 HB VAL A 11 3.490 0.428 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.624 2.547 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.272 2.534 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.751 3.452 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.649 1.347 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.932 2.135 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.883 0.360 1.651 1.00 0.00 H new ATOM 176 N LEU A 12 1.324 0.430 3.026 1.00 0.00 N ATOM 177 CA LEU A 12 -0.106 0.427 3.298 1.00 0.00 C ATOM 178 C LEU A 12 -0.416 0.154 4.772 1.00 0.00 C ATOM 179 O LEU A 12 -1.572 -0.074 5.127 1.00 0.00 O ATOM 180 CB LEU A 12 -0.776 -0.601 2.367 1.00 0.00 C ATOM 181 CG LEU A 12 -0.656 -0.221 0.879 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.948 -1.437 0.004 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.642 0.895 0.523 1.00 0.00 C ATOM 0 H LEU A 12 1.649 -0.430 2.585 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.511 1.419 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.322 -1.579 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.830 -0.692 2.631 1.00 0.00 H new ATOM 0 HG LEU A 12 0.361 0.129 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.861 -1.159 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.233 -2.228 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.959 -1.794 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.540 1.148 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.660 0.557 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.429 1.776 1.129 1.00 0.00 H new ATOM 195 N GLY A 13 0.590 0.175 5.647 1.00 0.00 N ATOM 196 CA GLY A 13 0.421 0.001 7.074 1.00 0.00 C ATOM 197 C GLY A 13 -0.074 -1.394 7.445 1.00 0.00 C ATOM 198 O GLY A 13 -0.530 -1.567 8.580 1.00 0.00 O ATOM 0 H GLY A 13 1.561 0.317 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.371 0.189 7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.286 0.743 7.445 1.00 0.00 H new ATOM 202 N VAL A 14 -0.002 -2.386 6.550 1.00 0.00 N ATOM 203 CA VAL A 14 -0.405 -3.751 6.856 1.00 0.00 C ATOM 204 C VAL A 14 0.838 -4.595 7.082 1.00 0.00 C ATOM 205 O VAL A 14 1.842 -4.451 6.387 1.00 0.00 O ATOM 206 CB VAL A 14 -1.347 -4.339 5.785 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.620 -3.508 5.666 1.00 0.00 C ATOM 208 CG2 VAL A 14 -0.762 -4.524 4.372 1.00 0.00 C ATOM 0 H VAL A 14 0.338 -2.259 5.597 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.993 -3.752 7.774 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.541 -5.344 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.268 -3.942 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.140 -3.500 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.363 -2.487 5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.524 -4.944 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.439 -3.558 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.091 -5.201 4.417 1.00 0.00 H new ATOM 218 N LYS A 15 0.756 -5.528 8.030 1.00 0.00 N ATOM 219 CA LYS A 15 1.772 -6.562 8.169 1.00 0.00 C ATOM 220 C LYS A 15 1.948 -7.307 6.842 1.00 0.00 C ATOM 221 O LYS A 15 0.963 -7.523 6.137 1.00 0.00 O ATOM 222 CB LYS A 15 1.494 -7.502 9.356 1.00 0.00 C ATOM 223 CG LYS A 15 0.030 -7.744 9.745 1.00 0.00 C ATOM 224 CD LYS A 15 -0.867 -8.334 8.654 1.00 0.00 C ATOM 225 CE LYS A 15 -2.255 -8.737 9.194 1.00 0.00 C ATOM 226 NZ LYS A 15 -3.024 -7.644 9.837 1.00 0.00 N ATOM 0 H LYS A 15 -0.002 -5.586 8.710 1.00 0.00 H new ATOM 0 HA LYS A 15 2.721 -6.081 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.946 -8.468 9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.011 -7.103 10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.010 -8.413 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.401 -6.796 10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.989 -7.605 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.381 -9.207 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.845 -9.139 8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.126 -9.543 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.940 -8.011 10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.488 -7.272 10.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.185 -6.881 9.149 1.00 0.00 H new ATOM 240 N PRO A 16 3.151 -7.791 6.498 1.00 0.00 N ATOM 241 CA PRO A 16 3.412 -8.424 5.204 1.00 0.00 C ATOM 242 C PRO A 16 2.668 -9.753 4.987 1.00 0.00 C ATOM 243 O PRO A 16 2.623 -10.275 3.870 1.00 0.00 O ATOM 244 CB PRO A 16 4.937 -8.567 5.120 1.00 0.00 C ATOM 245 CG PRO A 16 5.375 -8.563 6.582 1.00 0.00 C ATOM 246 CD PRO A 16 4.387 -7.607 7.231 1.00 0.00 C ATOM 0 HA PRO A 16 3.021 -7.807 4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.227 -9.489 4.617 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.387 -7.745 4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.322 -9.559 7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.403 -8.219 6.695 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.256 -7.833 8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.735 -6.576 7.166 1.00 0.00 H new ATOM 254 N ASN A 17 2.029 -10.291 6.030 1.00 0.00 N ATOM 255 CA ASN A 17 1.116 -11.425 5.917 1.00 0.00 C ATOM 256 C ASN A 17 -0.294 -11.020 5.458 1.00 0.00 C ATOM 257 O ASN A 17 -1.185 -11.877 5.450 1.00 0.00 O ATOM 258 CB ASN A 17 1.066 -12.169 7.258 1.00 0.00 C ATOM 259 CG ASN A 17 2.197 -13.172 7.375 1.00 0.00 C ATOM 260 OD1 ASN A 17 3.126 -12.988 8.150 1.00 0.00 O ATOM 261 ND2 ASN A 17 2.140 -14.264 6.638 1.00 0.00 N ATOM 0 H ASN A 17 2.134 -9.946 6.984 1.00 0.00 H new ATOM 0 HA ASN A 17 1.502 -12.085 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.127 -11.452 8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.110 -12.683 7.355 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.876 -14.967 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.360 -14.406 5.996 1.00 0.00 H new ATOM 268 N ALA A 18 -0.524 -9.747 5.109 1.00 0.00 N ATOM 269 CA ALA A 18 -1.838 -9.219 4.760 1.00 0.00 C ATOM 270 C ALA A 18 -2.453 -9.901 3.542 1.00 0.00 C ATOM 271 O ALA A 18 -1.796 -10.257 2.556 1.00 0.00 O ATOM 272 CB ALA A 18 -1.744 -7.723 4.495 1.00 0.00 C ATOM 0 H ALA A 18 0.216 -9.047 5.062 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.488 -9.421 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.730 -7.337 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.380 -7.217 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.054 -7.542 3.670 1.00 0.00 H new ATOM 278 N THR A 19 -3.762 -10.038 3.609 1.00 0.00 N ATOM 279 CA THR A 19 -4.628 -10.694 2.653 1.00 0.00 C ATOM 280 C THR A 19 -5.188 -9.678 1.658 1.00 0.00 C ATOM 281 O THR A 19 -5.275 -8.486 1.955 1.00 0.00 O ATOM 282 CB THR A 19 -5.739 -11.395 3.462 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.111 -10.570 4.544 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.221 -12.717 4.042 1.00 0.00 C ATOM 0 H THR A 19 -4.289 -9.663 4.398 1.00 0.00 H new ATOM 0 HA THR A 19 -4.086 -11.431 2.060 1.00 0.00 H new ATOM 0 HB THR A 19 -6.585 -11.584 2.801 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.580 -10.806 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.015 -13.201 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.905 -13.372 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.374 -12.519 4.699 1.00 0.00 H new ATOM 292 N GLN A 20 -5.605 -10.146 0.481 1.00 0.00 N ATOM 293 CA GLN A 20 -6.142 -9.308 -0.599 1.00 0.00 C ATOM 294 C GLN A 20 -7.400 -8.530 -0.159 1.00 0.00 C ATOM 295 O GLN A 20 -7.783 -7.520 -0.755 1.00 0.00 O ATOM 296 CB GLN A 20 -6.462 -10.223 -1.793 1.00 0.00 C ATOM 297 CG GLN A 20 -5.232 -10.945 -2.370 1.00 0.00 C ATOM 298 CD GLN A 20 -4.445 -10.068 -3.330 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.743 -10.026 -4.521 1.00 0.00 O ATOM 300 NE2 GLN A 20 -3.415 -9.386 -2.860 1.00 0.00 N ATOM 0 H GLN A 20 -5.580 -11.138 0.244 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.398 -8.560 -0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.196 -10.967 -1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.925 -9.628 -2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.582 -11.260 -1.553 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.554 -11.849 -2.888 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.182 -9.433 -1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.853 -8.813 -3.489 1.00 0.00 H new ATOM 309 N GLU A 21 -8.059 -8.994 0.902 1.00 0.00 N ATOM 310 CA GLU A 21 -9.236 -8.367 1.482 1.00 0.00 C ATOM 311 C GLU A 21 -8.836 -7.258 2.446 1.00 0.00 C ATOM 312 O GLU A 21 -9.486 -6.213 2.506 1.00 0.00 O ATOM 313 CB GLU A 21 -10.020 -9.436 2.240 1.00 0.00 C ATOM 314 CG GLU A 21 -10.535 -10.471 1.251 1.00 0.00 C ATOM 315 CD GLU A 21 -11.421 -11.479 1.952 1.00 0.00 C ATOM 316 OE1 GLU A 21 -12.632 -11.210 2.078 1.00 0.00 O ATOM 317 OE2 GLU A 21 -10.890 -12.514 2.417 1.00 0.00 O ATOM 0 H GLU A 21 -7.777 -9.842 1.393 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.842 -7.930 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.383 -9.912 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.853 -8.982 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.094 -9.977 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.695 -10.982 0.780 1.00 0.00 H new ATOM 324 N GLU A 22 -7.784 -7.504 3.219 1.00 0.00 N ATOM 325 CA GLU A 22 -7.212 -6.554 4.159 1.00 0.00 C ATOM 326 C GLU A 22 -6.572 -5.404 3.399 1.00 0.00 C ATOM 327 O GLU A 22 -6.764 -4.264 3.794 1.00 0.00 O ATOM 328 CB GLU A 22 -6.199 -7.248 5.083 1.00 0.00 C ATOM 329 CG GLU A 22 -6.892 -8.115 6.140 1.00 0.00 C ATOM 330 CD GLU A 22 -7.651 -7.306 7.201 1.00 0.00 C ATOM 331 OE1 GLU A 22 -8.739 -6.754 6.925 1.00 0.00 O ATOM 332 OE2 GLU A 22 -7.166 -7.257 8.358 1.00 0.00 O ATOM 0 H GLU A 22 -7.293 -8.398 3.206 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.005 -6.152 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.529 -7.868 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.583 -6.496 5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.589 -8.790 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.145 -8.736 6.635 1.00 0.00 H new ATOM 339 N LEU A 23 -5.904 -5.665 2.272 1.00 0.00 N ATOM 340 CA LEU A 23 -5.290 -4.651 1.413 1.00 0.00 C ATOM 341 C LEU A 23 -6.300 -3.557 1.091 1.00 0.00 C ATOM 342 O LEU A 23 -6.044 -2.379 1.328 1.00 0.00 O ATOM 343 CB LEU A 23 -4.764 -5.313 0.123 1.00 0.00 C ATOM 344 CG LEU A 23 -3.276 -5.688 0.119 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.377 -4.454 0.148 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.894 -6.624 1.264 1.00 0.00 C ATOM 0 H LEU A 23 -5.772 -6.614 1.923 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.450 -4.194 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.346 -6.216 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.950 -4.637 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.117 -6.222 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.332 -4.765 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.576 -3.838 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.580 -3.877 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.830 -6.853 1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.111 -6.141 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.468 -7.547 1.186 1.00 0.00 H new ATOM 358 N LYS A 24 -7.477 -3.957 0.606 1.00 0.00 N ATOM 359 CA LYS A 24 -8.595 -3.066 0.320 1.00 0.00 C ATOM 360 C LYS A 24 -8.980 -2.248 1.553 1.00 0.00 C ATOM 361 O LYS A 24 -8.968 -1.016 1.507 1.00 0.00 O ATOM 362 CB LYS A 24 -9.736 -3.918 -0.258 1.00 0.00 C ATOM 363 CG LYS A 24 -11.090 -3.201 -0.366 1.00 0.00 C ATOM 364 CD LYS A 24 -12.023 -3.902 -1.364 1.00 0.00 C ATOM 365 CE LYS A 24 -12.374 -5.337 -0.945 1.00 0.00 C ATOM 366 NZ LYS A 24 -12.146 -6.297 -2.042 1.00 0.00 N ATOM 0 H LYS A 24 -7.681 -4.934 0.397 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.325 -2.317 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.445 -4.264 -1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.859 -4.804 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.564 -3.168 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.932 -2.169 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.941 -3.323 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.549 -3.921 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.773 -5.621 -0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.418 -5.380 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.394 -7.255 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.739 -6.040 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.144 -6.274 -2.321 1.00 0.00 H new ATOM 380 N LYS A 25 -9.352 -2.903 2.658 1.00 0.00 N ATOM 381 CA LYS A 25 -9.847 -2.190 3.844 1.00 0.00 C ATOM 382 C LYS A 25 -8.774 -1.264 4.427 1.00 0.00 C ATOM 383 O LYS A 25 -9.105 -0.154 4.847 1.00 0.00 O ATOM 384 CB LYS A 25 -10.420 -3.180 4.875 1.00 0.00 C ATOM 385 CG LYS A 25 -11.638 -3.893 4.257 1.00 0.00 C ATOM 386 CD LYS A 25 -12.592 -4.604 5.226 1.00 0.00 C ATOM 387 CE LYS A 25 -12.118 -5.951 5.796 1.00 0.00 C ATOM 388 NZ LYS A 25 -11.248 -5.811 6.976 1.00 0.00 N ATOM 0 H LYS A 25 -9.321 -3.918 2.757 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.670 -1.542 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.661 -3.909 5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.712 -2.652 5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.212 -3.157 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.273 -4.628 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.792 -3.932 6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.540 -4.766 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.988 -6.550 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.581 -6.497 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.316 -6.225 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.136 -4.803 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.677 -6.306 7.784 1.00 0.00 H new ATOM 402 N ALA A 26 -7.508 -1.674 4.395 1.00 0.00 N ATOM 403 CA ALA A 26 -6.360 -0.908 4.850 1.00 0.00 C ATOM 404 C ALA A 26 -6.135 0.327 3.990 1.00 0.00 C ATOM 405 O ALA A 26 -6.013 1.426 4.534 1.00 0.00 O ATOM 406 CB ALA A 26 -5.120 -1.790 4.822 1.00 0.00 C ATOM 0 H ALA A 26 -7.247 -2.592 4.034 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.556 -0.573 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.258 -1.217 5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.268 -2.647 5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.944 -2.139 3.804 1.00 0.00 H new ATOM 412 N TYR A 27 -6.101 0.168 2.662 1.00 0.00 N ATOM 413 CA TYR A 27 -5.909 1.261 1.723 1.00 0.00 C ATOM 414 C TYR A 27 -6.898 2.378 2.029 1.00 0.00 C ATOM 415 O TYR A 27 -6.492 3.524 2.215 1.00 0.00 O ATOM 416 CB TYR A 27 -6.047 0.771 0.275 1.00 0.00 C ATOM 417 CG TYR A 27 -5.999 1.905 -0.732 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.823 2.664 -0.863 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.138 2.244 -1.487 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.772 3.761 -1.741 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.083 3.313 -2.401 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.900 4.077 -2.530 1.00 0.00 C ATOM 423 OH TYR A 27 -5.835 5.110 -3.413 1.00 0.00 O ATOM 0 H TYR A 27 -6.208 -0.740 2.210 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.898 1.653 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.248 0.063 0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.988 0.233 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.950 2.402 -0.284 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.053 1.684 -1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.875 4.359 -1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.946 3.550 -3.005 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.693 5.197 -3.879 1.00 0.00 H new ATOM 433 N ARG A 28 -8.183 2.049 2.203 1.00 0.00 N ATOM 434 CA ARG A 28 -9.219 3.023 2.529 1.00 0.00 C ATOM 435 C ARG A 28 -8.958 3.818 3.815 1.00 0.00 C ATOM 436 O ARG A 28 -9.644 4.820 4.024 1.00 0.00 O ATOM 437 CB ARG A 28 -10.554 2.297 2.706 1.00 0.00 C ATOM 438 CG ARG A 28 -11.189 1.694 1.452 1.00 0.00 C ATOM 439 CD ARG A 28 -12.608 1.295 1.864 1.00 0.00 C ATOM 440 NE ARG A 28 -13.231 0.336 0.946 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.421 -0.251 1.124 1.00 0.00 C ATOM 442 NH1 ARG A 28 -15.174 0.000 2.192 1.00 0.00 N ATOM 443 NH2 ARG A 28 -14.849 -1.109 0.210 1.00 0.00 N ATOM 0 H ARG A 28 -8.530 1.094 2.120 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.228 3.731 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.410 1.496 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.266 2.998 3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.206 2.415 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.624 0.830 1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.581 0.864 2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.228 2.190 1.919 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.714 0.096 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.849 0.655 2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.077 -0.463 2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.275 -1.311 -0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.753 -1.568 0.325 1.00 0.00 H new ATOM 457 N LYS A 29 -8.060 3.393 4.705 1.00 0.00 N ATOM 458 CA LYS A 29 -7.755 4.077 5.964 1.00 0.00 C ATOM 459 C LYS A 29 -6.610 5.035 5.698 1.00 0.00 C ATOM 460 O LYS A 29 -6.754 6.238 5.909 1.00 0.00 O ATOM 461 CB LYS A 29 -7.404 3.064 7.074 1.00 0.00 C ATOM 462 CG LYS A 29 -8.568 2.094 7.312 1.00 0.00 C ATOM 463 CD LYS A 29 -8.182 0.760 7.954 1.00 0.00 C ATOM 464 CE LYS A 29 -8.097 0.829 9.476 1.00 0.00 C ATOM 465 NZ LYS A 29 -8.842 -0.278 10.099 1.00 0.00 N ATOM 0 H LYS A 29 -7.511 2.544 4.568 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.625 4.629 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.511 2.506 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.172 3.595 7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.305 2.585 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.053 1.893 6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.913 0.003 7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.219 0.438 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.053 0.790 9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.497 1.782 9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.768 -0.207 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.842 -0.224 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.443 -1.185 9.785 1.00 0.00 H new ATOM 479 N LEU A 30 -5.482 4.521 5.203 1.00 0.00 N ATOM 480 CA LEU A 30 -4.311 5.362 4.948 1.00 0.00 C ATOM 481 C LEU A 30 -4.582 6.388 3.848 1.00 0.00 C ATOM 482 O LEU A 30 -4.130 7.525 3.962 1.00 0.00 O ATOM 483 CB LEU A 30 -3.042 4.557 4.648 1.00 0.00 C ATOM 484 CG LEU A 30 -2.393 3.804 5.830 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.335 4.610 7.140 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.082 2.462 6.076 1.00 0.00 C ATOM 0 H LEU A 30 -5.355 3.536 4.973 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.124 5.899 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.278 3.829 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.300 5.238 4.232 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.360 3.639 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.865 4.008 7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.753 5.518 6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.346 4.876 7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.603 1.955 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.134 2.630 6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.001 1.842 5.183 1.00 0.00 H new ATOM 498 N ALA A 31 -5.400 6.056 2.845 1.00 0.00 N ATOM 499 CA ALA A 31 -5.830 7.000 1.818 1.00 0.00 C ATOM 500 C ALA A 31 -6.580 8.200 2.411 1.00 0.00 C ATOM 501 O ALA A 31 -6.570 9.276 1.820 1.00 0.00 O ATOM 502 CB ALA A 31 -6.739 6.267 0.817 1.00 0.00 C ATOM 0 H ALA A 31 -5.783 5.118 2.725 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.941 7.386 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.066 6.963 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.187 5.448 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.609 5.869 1.339 1.00 0.00 H new ATOM 508 N LEU A 32 -7.214 8.050 3.582 1.00 0.00 N ATOM 509 CA LEU A 32 -7.848 9.152 4.290 1.00 0.00 C ATOM 510 C LEU A 32 -6.892 9.842 5.262 1.00 0.00 C ATOM 511 O LEU A 32 -7.143 10.983 5.637 1.00 0.00 O ATOM 512 CB LEU A 32 -9.048 8.620 5.078 1.00 0.00 C ATOM 513 CG LEU A 32 -10.177 8.042 4.218 1.00 0.00 C ATOM 514 CD1 LEU A 32 -11.331 7.581 5.120 1.00 0.00 C ATOM 515 CD2 LEU A 32 -10.685 9.025 3.167 1.00 0.00 C ATOM 0 H LEU A 32 -7.298 7.153 4.061 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.159 9.884 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.701 7.847 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.452 9.429 5.687 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.767 7.191 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.132 7.171 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.972 6.815 5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.709 8.430 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.483 8.559 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.067 9.919 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.867 9.300 2.500 1.00 0.00 H new ATOM 527 N LYS A 33 -5.824 9.169 5.699 1.00 0.00 N ATOM 528 CA LYS A 33 -4.821 9.740 6.586 1.00 0.00 C ATOM 529 C LYS A 33 -3.950 10.726 5.810 1.00 0.00 C ATOM 530 O LYS A 33 -3.627 11.798 6.322 1.00 0.00 O ATOM 531 CB LYS A 33 -3.989 8.591 7.193 1.00 0.00 C ATOM 532 CG LYS A 33 -2.848 9.044 8.111 1.00 0.00 C ATOM 533 CD LYS A 33 -3.320 10.006 9.207 1.00 0.00 C ATOM 534 CE LYS A 33 -2.216 10.202 10.236 1.00 0.00 C ATOM 535 NZ LYS A 33 -2.584 11.221 11.239 1.00 0.00 N ATOM 0 H LYS A 33 -5.634 8.201 5.440 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.293 10.292 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.654 7.938 7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.570 7.996 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.389 8.170 8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.077 9.530 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.594 10.965 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.213 9.610 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.011 9.255 10.736 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.297 10.501 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.809 11.329 11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.755 12.130 10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.447 10.923 11.736 1.00 0.00 H new ATOM 549 N TYR A 34 -3.555 10.343 4.599 1.00 0.00 N ATOM 550 CA TYR A 34 -2.589 11.059 3.785 1.00 0.00 C ATOM 551 C TYR A 34 -3.256 11.890 2.690 1.00 0.00 C ATOM 552 O TYR A 34 -2.562 12.360 1.788 1.00 0.00 O ATOM 553 CB TYR A 34 -1.589 10.044 3.217 1.00 0.00 C ATOM 554 CG TYR A 34 -0.752 9.349 4.273 1.00 0.00 C ATOM 555 CD1 TYR A 34 0.174 10.092 5.019 1.00 0.00 C ATOM 556 CD2 TYR A 34 -0.879 7.970 4.518 1.00 0.00 C ATOM 557 CE1 TYR A 34 1.011 9.462 5.947 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.040 7.328 5.441 1.00 0.00 C ATOM 559 CZ TYR A 34 0.915 8.076 6.161 1.00 0.00 C ATOM 560 OH TYR A 34 1.749 7.470 7.042 1.00 0.00 O ATOM 0 H TYR A 34 -3.911 9.501 4.148 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.058 11.780 4.406 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.134 9.292 2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.925 10.554 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.242 11.160 4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.629 7.400 3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.734 10.043 6.501 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.125 6.263 5.600 1.00 0.00 H new ATOM 0 HH TYR A 34 1.551 6.511 7.073 1.00 0.00 H new ATOM 570 N HIS A 35 -4.586 12.072 2.721 1.00 0.00 N ATOM 571 CA HIS A 35 -5.226 12.766 1.610 1.00 0.00 C ATOM 572 C HIS A 35 -4.733 14.219 1.595 1.00 0.00 C ATOM 573 O HIS A 35 -4.730 14.827 2.666 1.00 0.00 O ATOM 574 CB HIS A 35 -6.750 12.706 1.789 1.00 0.00 C ATOM 575 CG HIS A 35 -7.494 12.790 0.485 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.047 13.920 -0.075 1.00 0.00 N ATOM 577 CD2 HIS A 35 -7.686 11.747 -0.381 1.00 0.00 C ATOM 578 CE1 HIS A 35 -8.513 13.566 -1.283 1.00 0.00 C ATOM 579 NE2 HIS A 35 -8.350 12.247 -1.508 1.00 0.00 N ATOM 0 H HIS A 35 -5.208 11.763 3.468 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.972 12.294 0.661 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.016 11.777 2.294 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.068 13.523 2.436 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.380 10.723 -0.223 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.962 14.252 -1.986 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.649 11.722 -2.330 1.00 0.00 H new ATOM 587 N PRO A 36 -4.488 14.845 0.431 1.00 0.00 N ATOM 588 CA PRO A 36 -3.696 16.080 0.379 1.00 0.00 C ATOM 589 C PRO A 36 -4.442 17.284 0.955 1.00 0.00 C ATOM 590 O PRO A 36 -3.854 18.106 1.659 1.00 0.00 O ATOM 591 CB PRO A 36 -3.338 16.287 -1.098 1.00 0.00 C ATOM 592 CG PRO A 36 -4.306 15.379 -1.858 1.00 0.00 C ATOM 593 CD PRO A 36 -4.541 14.236 -0.886 1.00 0.00 C ATOM 0 HA PRO A 36 -2.804 15.989 0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.457 17.330 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.301 16.016 -1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.234 15.895 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.877 15.028 -2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.506 13.760 -1.062 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.780 13.463 -0.994 1.00 0.00 H new ATOM 601 N ASP A 37 -5.751 17.348 0.689 1.00 0.00 N ATOM 602 CA ASP A 37 -6.685 18.365 1.183 1.00 0.00 C ATOM 603 C ASP A 37 -6.529 18.559 2.700 1.00 0.00 C ATOM 604 O ASP A 37 -6.472 19.679 3.218 1.00 0.00 O ATOM 605 CB ASP A 37 -8.105 17.883 0.817 1.00 0.00 C ATOM 606 CG ASP A 37 -9.230 18.870 1.147 1.00 0.00 C ATOM 607 OD1 ASP A 37 -9.311 19.368 2.289 1.00 0.00 O ATOM 608 OD2 ASP A 37 -10.136 19.069 0.302 1.00 0.00 O ATOM 0 H ASP A 37 -6.210 16.658 0.094 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.485 19.335 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.135 17.666 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.300 16.946 1.339 1.00 0.00 H new ATOM 613 N LYS A 38 -6.385 17.449 3.424 1.00 0.00 N ATOM 614 CA LYS A 38 -6.337 17.383 4.883 1.00 0.00 C ATOM 615 C LYS A 38 -4.964 16.926 5.374 1.00 0.00 C ATOM 616 O LYS A 38 -4.863 16.459 6.512 1.00 0.00 O ATOM 617 CB LYS A 38 -7.493 16.481 5.368 1.00 0.00 C ATOM 618 CG LYS A 38 -8.863 17.156 5.266 1.00 0.00 C ATOM 619 CD LYS A 38 -9.093 18.166 6.388 1.00 0.00 C ATOM 620 CE LYS A 38 -10.364 18.963 6.115 1.00 0.00 C ATOM 621 NZ LYS A 38 -10.639 19.943 7.178 1.00 0.00 N ATOM 0 H LYS A 38 -6.295 16.531 2.989 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.476 18.375 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.502 15.563 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.312 16.194 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.947 17.660 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.644 16.396 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.176 17.649 7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.240 18.840 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.269 19.481 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.208 18.279 6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.511 20.463 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.755 19.448 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.845 20.612 7.248 1.00 0.00 H new ATOM 635 N ASN A 39 -3.932 16.940 4.526 1.00 0.00 N ATOM 636 CA ASN A 39 -2.570 16.545 4.877 1.00 0.00 C ATOM 637 C ASN A 39 -1.599 17.130 3.839 1.00 0.00 C ATOM 638 O ASN A 39 -1.095 16.404 2.973 1.00 0.00 O ATOM 639 CB ASN A 39 -2.462 15.014 4.974 1.00 0.00 C ATOM 640 CG ASN A 39 -1.203 14.592 5.695 1.00 0.00 C ATOM 641 OD1 ASN A 39 -0.206 15.296 5.689 1.00 0.00 O ATOM 642 ND2 ASN A 39 -1.236 13.450 6.358 1.00 0.00 N ATOM 0 H ASN A 39 -4.025 17.234 3.554 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.305 16.941 5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.332 14.619 5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.471 14.583 3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.417 13.139 6.880 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.081 12.879 6.348 1.00 0.00 H new ATOM 649 N PRO A 40 -1.362 18.455 3.868 1.00 0.00 N ATOM 650 CA PRO A 40 -0.638 19.135 2.794 1.00 0.00 C ATOM 651 C PRO A 40 0.855 18.790 2.746 1.00 0.00 C ATOM 652 O PRO A 40 1.541 19.088 1.775 1.00 0.00 O ATOM 653 CB PRO A 40 -0.840 20.625 3.064 1.00 0.00 C ATOM 654 CG PRO A 40 -1.055 20.704 4.571 1.00 0.00 C ATOM 655 CD PRO A 40 -1.808 19.410 4.874 1.00 0.00 C ATOM 0 HA PRO A 40 -1.021 18.820 1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.028 21.207 2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.698 21.016 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.110 20.758 5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.634 21.584 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.586 19.053 5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.886 19.562 4.820 1.00 0.00 H new ATOM 663 N ASN A 41 1.395 18.200 3.805 1.00 0.00 N ATOM 664 CA ASN A 41 2.743 17.673 3.940 1.00 0.00 C ATOM 665 C ASN A 41 2.925 16.233 3.481 1.00 0.00 C ATOM 666 O ASN A 41 4.057 15.755 3.391 1.00 0.00 O ATOM 667 CB ASN A 41 3.351 17.970 5.315 1.00 0.00 C ATOM 668 CG ASN A 41 2.335 18.281 6.390 1.00 0.00 C ATOM 669 OD1 ASN A 41 1.421 17.523 6.693 1.00 0.00 O ATOM 670 ND2 ASN A 41 2.359 19.527 6.814 1.00 0.00 N ATOM 0 H ASN A 41 0.855 18.068 4.660 1.00 0.00 H new ATOM 0 HA ASN A 41 3.335 18.234 3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.945 17.112 5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.035 18.814 5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.607 19.879 7.407 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.130 20.141 6.550 1.00 0.00 H new ATOM 677 N GLU A 42 1.847 15.518 3.158 1.00 0.00 N ATOM 678 CA GLU A 42 1.933 14.102 2.805 1.00 0.00 C ATOM 679 C GLU A 42 1.176 13.786 1.501 1.00 0.00 C ATOM 680 O GLU A 42 1.031 12.622 1.128 1.00 0.00 O ATOM 681 CB GLU A 42 1.586 13.221 4.013 1.00 0.00 C ATOM 682 CG GLU A 42 2.495 13.545 5.223 1.00 0.00 C ATOM 683 CD GLU A 42 2.334 12.673 6.473 1.00 0.00 C ATOM 684 OE1 GLU A 42 1.266 12.639 7.117 1.00 0.00 O ATOM 685 OE2 GLU A 42 3.319 12.003 6.858 1.00 0.00 O ATOM 0 H GLU A 42 0.901 15.899 3.134 1.00 0.00 H new ATOM 0 HA GLU A 42 2.965 13.850 2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.542 13.372 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.696 12.171 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.532 13.476 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.319 14.582 5.509 1.00 0.00 H new ATOM 692 N GLY A 43 0.770 14.815 0.745 1.00 0.00 N ATOM 693 CA GLY A 43 0.177 14.667 -0.586 1.00 0.00 C ATOM 694 C GLY A 43 1.088 13.905 -1.559 1.00 0.00 C ATOM 695 O GLY A 43 0.615 13.076 -2.334 1.00 0.00 O ATOM 0 H GLY A 43 0.846 15.786 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.774 14.142 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.039 15.654 -0.995 1.00 0.00 H new ATOM 699 N GLU A 44 2.403 14.137 -1.492 1.00 0.00 N ATOM 700 CA GLU A 44 3.391 13.390 -2.271 1.00 0.00 C ATOM 701 C GLU A 44 3.456 11.938 -1.802 1.00 0.00 C ATOM 702 O GLU A 44 3.631 11.051 -2.636 1.00 0.00 O ATOM 703 CB GLU A 44 4.781 14.014 -2.091 1.00 0.00 C ATOM 704 CG GLU A 44 4.907 15.486 -2.506 1.00 0.00 C ATOM 705 CD GLU A 44 6.262 16.018 -2.047 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.391 16.409 -0.864 1.00 0.00 O ATOM 707 OE2 GLU A 44 7.241 15.963 -2.823 1.00 0.00 O ATOM 0 H GLU A 44 2.812 14.853 -0.892 1.00 0.00 H new ATOM 0 HA GLU A 44 3.092 13.427 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.066 13.925 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.499 13.430 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.812 15.582 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.102 16.072 -2.062 1.00 0.00 H new ATOM 714 N LYS A 45 3.290 11.666 -0.497 1.00 0.00 N ATOM 715 CA LYS A 45 3.299 10.294 0.012 1.00 0.00 C ATOM 716 C LYS A 45 2.237 9.469 -0.675 1.00 0.00 C ATOM 717 O LYS A 45 2.457 8.279 -0.879 1.00 0.00 O ATOM 718 CB LYS A 45 3.035 10.217 1.527 1.00 0.00 C ATOM 719 CG LYS A 45 4.214 9.544 2.229 1.00 0.00 C ATOM 720 CD LYS A 45 3.842 9.178 3.669 1.00 0.00 C ATOM 721 CE LYS A 45 3.867 10.352 4.646 1.00 0.00 C ATOM 722 NZ LYS A 45 5.143 11.090 4.734 1.00 0.00 N ATOM 0 H LYS A 45 3.149 12.379 0.219 1.00 0.00 H new ATOM 0 HA LYS A 45 4.297 9.907 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.885 11.219 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.120 9.656 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.506 8.647 1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.075 10.212 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.844 8.739 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.529 8.410 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.083 11.053 4.361 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.616 9.979 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.108 11.750 5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.924 10.417 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.297 11.623 3.855 1.00 0.00 H new ATOM 736 N PHE A 46 1.108 10.083 -1.034 1.00 0.00 N ATOM 737 CA PHE A 46 -0.008 9.388 -1.641 1.00 0.00 C ATOM 738 C PHE A 46 0.452 8.537 -2.820 1.00 0.00 C ATOM 739 O PHE A 46 -0.043 7.431 -2.998 1.00 0.00 O ATOM 740 CB PHE A 46 -1.073 10.383 -2.107 1.00 0.00 C ATOM 741 CG PHE A 46 -2.480 9.835 -2.002 1.00 0.00 C ATOM 742 CD1 PHE A 46 -2.931 8.827 -2.881 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.320 10.305 -0.977 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.219 8.291 -2.721 1.00 0.00 C ATOM 745 CE2 PHE A 46 -4.600 9.757 -0.816 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.050 8.749 -1.683 1.00 0.00 C ATOM 0 H PHE A 46 0.950 11.083 -0.907 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.440 8.732 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.998 11.293 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.874 10.662 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.289 8.470 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.979 11.087 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.572 7.526 -3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.242 10.111 -0.023 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.035 8.325 -1.553 1.00 0.00 H new ATOM 756 N LYS A 47 1.422 9.040 -3.588 1.00 0.00 N ATOM 757 CA LYS A 47 1.964 8.394 -4.778 1.00 0.00 C ATOM 758 C LYS A 47 2.519 6.997 -4.505 1.00 0.00 C ATOM 759 O LYS A 47 2.528 6.143 -5.392 1.00 0.00 O ATOM 760 CB LYS A 47 3.016 9.324 -5.411 1.00 0.00 C ATOM 761 CG LYS A 47 4.486 9.068 -5.027 1.00 0.00 C ATOM 762 CD LYS A 47 5.431 10.046 -5.740 1.00 0.00 C ATOM 763 CE LYS A 47 5.721 9.594 -7.179 1.00 0.00 C ATOM 764 NZ LYS A 47 6.705 8.490 -7.218 1.00 0.00 N ATOM 0 H LYS A 47 1.864 9.938 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 47 1.149 8.234 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.929 9.248 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.768 10.351 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.604 9.167 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.758 8.044 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.986 11.041 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.366 10.121 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.794 9.272 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.098 10.438 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.927 8.257 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.574 8.782 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.307 7.653 -6.746 1.00 0.00 H new ATOM 778 N GLN A 48 3.063 6.789 -3.310 1.00 0.00 N ATOM 779 CA GLN A 48 3.488 5.476 -2.848 1.00 0.00 C ATOM 780 C GLN A 48 2.290 4.605 -2.480 1.00 0.00 C ATOM 781 O GLN A 48 2.378 3.394 -2.646 1.00 0.00 O ATOM 782 CB GLN A 48 4.424 5.604 -1.626 1.00 0.00 C ATOM 783 CG GLN A 48 5.914 5.591 -1.987 1.00 0.00 C ATOM 784 CD GLN A 48 6.708 4.690 -1.037 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.102 5.093 0.052 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.963 3.448 -1.432 1.00 0.00 N ATOM 0 H GLN A 48 3.222 7.534 -2.631 1.00 0.00 H new ATOM 0 HA GLN A 48 4.028 5.001 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.195 6.530 -1.099 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.219 4.786 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.039 5.242 -3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.310 6.606 -1.945 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.630 3.123 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.491 2.819 -0.827 1.00 0.00 H new ATOM 795 N ILE A 49 1.208 5.183 -1.957 1.00 0.00 N ATOM 796 CA ILE A 49 0.073 4.435 -1.420 1.00 0.00 C ATOM 797 C ILE A 49 -0.732 3.859 -2.580 1.00 0.00 C ATOM 798 O ILE A 49 -1.044 2.667 -2.568 1.00 0.00 O ATOM 799 CB ILE A 49 -0.829 5.323 -0.530 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.022 6.203 0.438 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.803 4.449 0.277 1.00 0.00 C ATOM 802 CD1 ILE A 49 -0.921 7.069 1.312 1.00 0.00 C ATOM 0 H ILE A 49 1.095 6.195 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 49 0.453 3.630 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.379 5.983 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.598 5.569 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.653 6.842 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.432 5.085 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.430 3.876 -0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.239 3.765 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.307 7.673 1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.522 7.723 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.579 6.431 1.902 1.00 0.00 H new ATOM 814 N SER A 50 -1.052 4.702 -3.567 1.00 0.00 N ATOM 815 CA SER A 50 -1.686 4.312 -4.815 1.00 0.00 C ATOM 816 C SER A 50 -0.872 3.180 -5.421 1.00 0.00 C ATOM 817 O SER A 50 -1.343 2.049 -5.486 1.00 0.00 O ATOM 818 CB SER A 50 -1.769 5.524 -5.756 1.00 0.00 C ATOM 819 OG SER A 50 -0.582 6.293 -5.682 1.00 0.00 O ATOM 0 H SER A 50 -0.868 5.704 -3.510 1.00 0.00 H new ATOM 0 HA SER A 50 -2.705 3.965 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.927 5.186 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.626 6.141 -5.488 1.00 0.00 H new ATOM 0 HG SER A 50 -0.651 7.060 -6.288 1.00 0.00 H new ATOM 825 N GLN A 51 0.381 3.474 -5.781 1.00 0.00 N ATOM 826 CA GLN A 51 1.285 2.552 -6.445 1.00 0.00 C ATOM 827 C GLN A 51 1.423 1.237 -5.684 1.00 0.00 C ATOM 828 O GLN A 51 1.414 0.186 -6.315 1.00 0.00 O ATOM 829 CB GLN A 51 2.637 3.248 -6.653 1.00 0.00 C ATOM 830 CG GLN A 51 3.639 2.388 -7.435 1.00 0.00 C ATOM 831 CD GLN A 51 4.338 3.202 -8.514 1.00 0.00 C ATOM 832 OE1 GLN A 51 5.280 3.942 -8.232 1.00 0.00 O ATOM 833 NE2 GLN A 51 3.887 3.113 -9.747 1.00 0.00 N ATOM 0 H GLN A 51 0.799 4.389 -5.610 1.00 0.00 H new ATOM 0 HA GLN A 51 0.872 2.284 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.479 4.186 -7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.063 3.500 -5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.380 1.975 -6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.120 1.544 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.105 2.494 -9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.319 3.663 -10.489 1.00 0.00 H new ATOM 842 N ALA A 52 1.538 1.274 -4.353 1.00 0.00 N ATOM 843 CA ALA A 52 1.606 0.071 -3.548 1.00 0.00 C ATOM 844 C ALA A 52 0.356 -0.769 -3.754 1.00 0.00 C ATOM 845 O ALA A 52 0.448 -1.924 -4.166 1.00 0.00 O ATOM 846 CB ALA A 52 1.823 0.430 -2.069 1.00 0.00 C ATOM 0 H ALA A 52 1.586 2.139 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 52 2.459 -0.528 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.872 -0.483 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.756 0.983 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.995 1.046 -1.719 1.00 0.00 H new ATOM 852 N TYR A 53 -0.819 -0.212 -3.475 1.00 0.00 N ATOM 853 CA TYR A 53 -2.065 -0.948 -3.619 1.00 0.00 C ATOM 854 C TYR A 53 -2.276 -1.396 -5.075 1.00 0.00 C ATOM 855 O TYR A 53 -2.878 -2.439 -5.311 1.00 0.00 O ATOM 856 CB TYR A 53 -3.196 -0.077 -3.063 1.00 0.00 C ATOM 857 CG TYR A 53 -4.577 -0.689 -3.123 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.882 -1.877 -2.424 1.00 0.00 C ATOM 859 CD2 TYR A 53 -5.571 -0.042 -3.876 1.00 0.00 C ATOM 860 CE1 TYR A 53 -6.173 -2.432 -2.510 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.863 -0.576 -3.947 1.00 0.00 C ATOM 862 CZ TYR A 53 -7.164 -1.781 -3.279 1.00 0.00 C ATOM 863 OH TYR A 53 -8.408 -2.317 -3.415 1.00 0.00 O ATOM 0 H TYR A 53 -0.931 0.748 -3.148 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.043 -1.875 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.969 0.164 -2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.210 0.864 -3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.125 -2.360 -1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.337 0.872 -4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.405 -3.350 -1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.628 -0.066 -4.513 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.957 -1.731 -3.977 1.00 0.00 H new ATOM 873 N GLU A 54 -1.704 -0.692 -6.052 1.00 0.00 N ATOM 874 CA GLU A 54 -1.799 -0.991 -7.480 1.00 0.00 C ATOM 875 C GLU A 54 -1.029 -2.264 -7.863 1.00 0.00 C ATOM 876 O GLU A 54 -1.150 -2.750 -8.989 1.00 0.00 O ATOM 877 CB GLU A 54 -1.238 0.205 -8.262 1.00 0.00 C ATOM 878 CG GLU A 54 -1.788 0.356 -9.679 1.00 0.00 C ATOM 879 CD GLU A 54 -3.143 1.071 -9.743 1.00 0.00 C ATOM 880 OE1 GLU A 54 -3.195 2.316 -9.623 1.00 0.00 O ATOM 881 OE2 GLU A 54 -4.169 0.387 -9.991 1.00 0.00 O ATOM 0 H GLU A 54 -1.139 0.136 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.847 -1.165 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.451 1.118 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.154 0.110 -8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.067 0.908 -10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.888 -0.632 -10.128 1.00 0.00 H new ATOM 888 N VAL A 55 -0.198 -2.796 -6.962 1.00 0.00 N ATOM 889 CA VAL A 55 0.483 -4.066 -7.168 1.00 0.00 C ATOM 890 C VAL A 55 -0.349 -5.162 -6.516 1.00 0.00 C ATOM 891 O VAL A 55 -0.645 -6.168 -7.157 1.00 0.00 O ATOM 892 CB VAL A 55 1.931 -4.028 -6.638 1.00 0.00 C ATOM 893 CG1 VAL A 55 2.779 -5.080 -7.366 1.00 0.00 C ATOM 894 CG2 VAL A 55 2.558 -2.632 -6.757 1.00 0.00 C ATOM 0 H VAL A 55 0.018 -2.353 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 55 0.571 -4.273 -8.235 1.00 0.00 H new ATOM 0 HB VAL A 55 1.905 -4.265 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.801 -5.049 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.358 -6.070 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.781 -4.869 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.577 -2.657 -6.371 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.574 -2.328 -7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.969 -1.918 -6.181 1.00 0.00 H new ATOM 904 N LEU A 56 -0.746 -4.992 -5.252 1.00 0.00 N ATOM 905 CA LEU A 56 -1.414 -6.070 -4.543 1.00 0.00 C ATOM 906 C LEU A 56 -2.905 -6.155 -4.880 1.00 0.00 C ATOM 907 O LEU A 56 -3.531 -7.131 -4.478 1.00 0.00 O ATOM 908 CB LEU A 56 -1.190 -5.953 -3.030 1.00 0.00 C ATOM 909 CG LEU A 56 0.276 -5.805 -2.571 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.270 -6.757 -3.253 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.763 -4.369 -2.535 1.00 0.00 C ATOM 0 H LEU A 56 -0.617 -4.135 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.964 -7.003 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.752 -5.093 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.612 -6.837 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 56 0.250 -6.139 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.272 -6.576 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.983 -7.789 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.261 -6.582 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.801 -4.345 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.691 -3.935 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.148 -3.793 -1.844 1.00 0.00 H new ATOM 923 N SER A 57 -3.504 -5.186 -5.583 1.00 0.00 N ATOM 924 CA SER A 57 -4.923 -5.224 -5.949 1.00 0.00 C ATOM 925 C SER A 57 -5.218 -6.257 -7.053 1.00 0.00 C ATOM 926 O SER A 57 -6.395 -6.495 -7.338 1.00 0.00 O ATOM 927 CB SER A 57 -5.401 -3.809 -6.330 1.00 0.00 C ATOM 928 OG SER A 57 -6.810 -3.722 -6.519 1.00 0.00 O ATOM 0 H SER A 57 -3.017 -4.353 -5.914 1.00 0.00 H new ATOM 0 HA SER A 57 -5.491 -5.557 -5.080 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.102 -3.110 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.899 -3.498 -7.246 1.00 0.00 H new ATOM 0 HG SER A 57 -7.140 -4.559 -6.906 1.00 0.00 H new ATOM 934 N ASP A 58 -4.205 -6.871 -7.669 1.00 0.00 N ATOM 935 CA ASP A 58 -4.360 -7.838 -8.754 1.00 0.00 C ATOM 936 C ASP A 58 -3.627 -9.110 -8.379 1.00 0.00 C ATOM 937 O ASP A 58 -2.485 -9.050 -7.924 1.00 0.00 O ATOM 938 CB ASP A 58 -3.727 -7.302 -10.038 1.00 0.00 C ATOM 939 CG ASP A 58 -3.832 -8.256 -11.232 1.00 0.00 C ATOM 940 OD1 ASP A 58 -4.680 -9.178 -11.232 1.00 0.00 O ATOM 941 OD2 ASP A 58 -2.967 -8.144 -12.126 1.00 0.00 O ATOM 0 H ASP A 58 -3.230 -6.704 -7.419 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.423 -8.021 -8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.204 -6.357 -10.299 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.675 -7.087 -9.850 1.00 0.00 H new ATOM 946 N ALA A 59 -4.239 -10.261 -8.633 1.00 0.00 N ATOM 947 CA ALA A 59 -3.587 -11.543 -8.480 1.00 0.00 C ATOM 948 C ALA A 59 -2.441 -11.707 -9.492 1.00 0.00 C ATOM 949 O ALA A 59 -1.440 -12.332 -9.157 1.00 0.00 O ATOM 950 CB ALA A 59 -4.628 -12.661 -8.575 1.00 0.00 C ATOM 0 H ALA A 59 -5.206 -10.324 -8.952 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.127 -11.602 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.136 -13.627 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.370 -12.535 -7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.120 -12.618 -9.547 1.00 0.00 H new ATOM 956 N LYS A 60 -2.516 -11.155 -10.711 1.00 0.00 N ATOM 957 CA LYS A 60 -1.471 -11.314 -11.730 1.00 0.00 C ATOM 958 C LYS A 60 -0.320 -10.321 -11.549 1.00 0.00 C ATOM 959 O LYS A 60 0.816 -10.632 -11.922 1.00 0.00 O ATOM 960 CB LYS A 60 -2.099 -11.258 -13.134 1.00 0.00 C ATOM 961 CG LYS A 60 -1.046 -11.468 -14.224 1.00 0.00 C ATOM 962 CD LYS A 60 -1.638 -11.924 -15.558 1.00 0.00 C ATOM 963 CE LYS A 60 -0.468 -12.386 -16.427 1.00 0.00 C ATOM 964 NZ LYS A 60 -0.892 -13.188 -17.589 1.00 0.00 N ATOM 0 H LYS A 60 -3.304 -10.585 -11.018 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.015 -12.296 -11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.871 -12.022 -13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.587 -10.294 -13.278 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.500 -10.537 -14.376 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.323 -12.209 -13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.351 -12.735 -15.407 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.179 -11.109 -16.039 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.083 -11.513 -16.777 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.219 -12.974 -15.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.056 -13.471 -18.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.394 -14.037 -17.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.525 -12.622 -18.189 1.00 0.00 H new ATOM 978 N LYS A 61 -0.538 -9.150 -10.950 1.00 0.00 N ATOM 979 CA LYS A 61 0.576 -8.364 -10.424 1.00 0.00 C ATOM 980 C LYS A 61 1.145 -9.065 -9.196 1.00 0.00 C ATOM 981 O LYS A 61 2.362 -9.249 -9.151 1.00 0.00 O ATOM 982 CB LYS A 61 0.165 -6.929 -10.083 1.00 0.00 C ATOM 983 CG LYS A 61 -0.215 -6.072 -11.301 1.00 0.00 C ATOM 984 CD LYS A 61 0.645 -4.813 -11.451 1.00 0.00 C ATOM 985 CE LYS A 61 2.114 -5.101 -11.780 1.00 0.00 C ATOM 986 NZ LYS A 61 2.307 -5.429 -13.203 1.00 0.00 N ATOM 0 H LYS A 61 -1.459 -8.731 -10.819 1.00 0.00 H new ATOM 0 HA LYS A 61 1.339 -8.294 -11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.681 -6.960 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.986 -6.444 -9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.123 -6.676 -12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.262 -5.780 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.222 -4.188 -12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.596 -4.239 -10.526 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.720 -4.232 -11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.467 -5.929 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.314 -5.617 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.749 -6.273 -13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.994 -4.629 -13.789 1.00 0.00 H new ATOM 1000 N ARG A 62 0.306 -9.482 -8.232 1.00 0.00 N ATOM 1001 CA ARG A 62 0.801 -10.196 -7.040 1.00 0.00 C ATOM 1002 C ARG A 62 1.644 -11.430 -7.407 1.00 0.00 C ATOM 1003 O ARG A 62 2.645 -11.693 -6.745 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.314 -10.517 -6.021 1.00 0.00 C ATOM 1005 CG ARG A 62 0.240 -11.303 -4.812 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.400 -10.953 -3.468 1.00 0.00 C ATOM 1007 NE ARG A 62 0.223 -11.731 -2.381 1.00 0.00 N ATOM 1008 CZ ARG A 62 -0.179 -12.911 -1.892 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -1.261 -13.515 -2.378 1.00 0.00 N ATOM 1010 NH2 ARG A 62 0.519 -13.461 -0.907 1.00 0.00 N ATOM 0 H ARG A 62 -0.704 -9.340 -8.252 1.00 0.00 H new ATOM 0 HA ARG A 62 1.472 -9.504 -6.531 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.772 -9.590 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.098 -11.098 -6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.103 -12.369 -4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.313 -11.127 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.287 -9.887 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.470 -11.159 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 62 1.055 -11.324 -1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.794 -13.079 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.558 -14.414 -1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.343 -12.986 -0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.232 -14.359 -0.518 1.00 0.00 H new ATOM 1024 N GLU A 63 1.309 -12.146 -8.475 1.00 0.00 N ATOM 1025 CA GLU A 63 2.086 -13.269 -8.994 1.00 0.00 C ATOM 1026 C GLU A 63 3.551 -12.914 -9.221 1.00 0.00 C ATOM 1027 O GLU A 63 4.440 -13.690 -8.867 1.00 0.00 O ATOM 1028 CB GLU A 63 1.489 -13.695 -10.339 1.00 0.00 C ATOM 1029 CG GLU A 63 0.378 -14.731 -10.190 1.00 0.00 C ATOM 1030 CD GLU A 63 0.993 -16.119 -10.166 1.00 0.00 C ATOM 1031 OE1 GLU A 63 1.295 -16.635 -11.267 1.00 0.00 O ATOM 1032 OE2 GLU A 63 1.249 -16.637 -9.057 1.00 0.00 O ATOM 0 H GLU A 63 0.467 -11.957 -9.019 1.00 0.00 H new ATOM 0 HA GLU A 63 2.042 -14.067 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.095 -12.817 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.279 -14.104 -10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.182 -14.552 -9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.328 -14.647 -11.016 1.00 0.00 H new ATOM 1039 N LEU A 64 3.806 -11.782 -9.880 1.00 0.00 N ATOM 1040 CA LEU A 64 5.162 -11.399 -10.258 1.00 0.00 C ATOM 1041 C LEU A 64 5.857 -10.759 -9.080 1.00 0.00 C ATOM 1042 O LEU A 64 7.019 -11.058 -8.848 1.00 0.00 O ATOM 1043 CB LEU A 64 5.172 -10.455 -11.471 1.00 0.00 C ATOM 1044 CG LEU A 64 5.285 -11.205 -12.811 1.00 0.00 C ATOM 1045 CD1 LEU A 64 6.676 -11.820 -13.016 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.209 -12.285 -12.916 1.00 0.00 C ATOM 0 H LEU A 64 3.088 -11.115 -10.162 1.00 0.00 H new ATOM 0 HA LEU A 64 5.700 -12.301 -10.549 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.259 -9.859 -11.469 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.006 -9.760 -11.378 1.00 0.00 H new ATOM 0 HG LEU A 64 5.132 -10.471 -13.602 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.707 -12.338 -13.974 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.428 -11.031 -13.006 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.883 -12.528 -12.214 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.306 -12.803 -13.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.329 -12.999 -12.101 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.223 -11.824 -12.852 1.00 0.00 H new ATOM 1058 N TYR A 65 5.133 -9.937 -8.319 1.00 0.00 N ATOM 1059 CA TYR A 65 5.538 -9.332 -7.060 1.00 0.00 C ATOM 1060 C TYR A 65 6.226 -10.391 -6.203 1.00 0.00 C ATOM 1061 O TYR A 65 7.396 -10.203 -5.874 1.00 0.00 O ATOM 1062 CB TYR A 65 4.291 -8.739 -6.402 1.00 0.00 C ATOM 1063 CG TYR A 65 4.410 -8.523 -4.915 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.047 -7.368 -4.444 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.928 -9.493 -4.014 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.230 -7.198 -3.063 1.00 0.00 C ATOM 1067 CE2 TYR A 65 4.141 -9.341 -2.634 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.845 -8.212 -2.164 1.00 0.00 C ATOM 1069 OH TYR A 65 5.145 -8.075 -0.845 1.00 0.00 O ATOM 0 H TYR A 65 4.188 -9.662 -8.587 1.00 0.00 H new ATOM 0 HA TYR A 65 6.257 -8.525 -7.201 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.064 -7.785 -6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.446 -9.400 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.394 -6.616 -5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.394 -10.355 -4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.668 -6.285 -2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.770 -10.080 -1.940 1.00 0.00 H new ATOM 0 HH TYR A 65 4.351 -8.275 -0.306 1.00 0.00 H new ATOM 1079 N ASP A 66 5.541 -11.510 -5.962 1.00 0.00 N ATOM 1080 CA ASP A 66 5.917 -12.608 -5.078 1.00 0.00 C ATOM 1081 C ASP A 66 7.316 -13.149 -5.375 1.00 0.00 C ATOM 1082 O ASP A 66 8.080 -13.464 -4.460 1.00 0.00 O ATOM 1083 CB ASP A 66 4.869 -13.704 -5.288 1.00 0.00 C ATOM 1084 CG ASP A 66 4.833 -14.757 -4.193 1.00 0.00 C ATOM 1085 OD1 ASP A 66 5.733 -15.624 -4.133 1.00 0.00 O ATOM 1086 OD2 ASP A 66 3.826 -14.754 -3.445 1.00 0.00 O ATOM 0 H ASP A 66 4.643 -11.682 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 66 5.947 -12.259 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.885 -13.240 -5.361 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.061 -14.196 -6.242 1.00 0.00 H new ATOM 1091 N LYS A 67 7.673 -13.235 -6.656 1.00 0.00 N ATOM 1092 CA LYS A 67 8.896 -13.874 -7.121 1.00 0.00 C ATOM 1093 C LYS A 67 9.526 -13.081 -8.259 1.00 0.00 C ATOM 1094 O LYS A 67 9.858 -13.649 -9.302 1.00 0.00 O ATOM 1095 CB LYS A 67 8.610 -15.346 -7.453 1.00 0.00 C ATOM 1096 CG LYS A 67 7.435 -15.553 -8.426 1.00 0.00 C ATOM 1097 CD LYS A 67 7.574 -16.864 -9.208 1.00 0.00 C ATOM 1098 CE LYS A 67 8.578 -16.679 -10.354 1.00 0.00 C ATOM 1099 NZ LYS A 67 8.667 -17.872 -11.219 1.00 0.00 N ATOM 0 H LYS A 67 7.106 -12.853 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 67 9.647 -13.875 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.507 -15.791 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.400 -15.882 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.498 -15.558 -7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.387 -14.716 -9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.908 -17.661 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.605 -17.166 -9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.285 -15.818 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.562 -16.459 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.357 -17.700 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.972 -18.689 -10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.735 -18.068 -11.636 1.00 0.00 H new ATOM 1113 N GLY A 68 9.682 -11.768 -8.077 1.00 0.00 N ATOM 1114 CA GLY A 68 10.391 -10.928 -9.030 1.00 0.00 C ATOM 1115 C GLY A 68 10.080 -9.441 -8.902 1.00 0.00 C ATOM 1116 O GLY A 68 10.965 -8.628 -9.179 1.00 0.00 O ATOM 0 H GLY A 68 9.320 -11.264 -7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.463 -11.076 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.143 -11.254 -10.040 1.00 0.00 H new ATOM 1120 N GLY A 69 8.870 -9.051 -8.490 1.00 0.00 N ATOM 1121 CA GLY A 69 8.501 -7.645 -8.416 1.00 0.00 C ATOM 1122 C GLY A 69 9.048 -6.950 -7.180 1.00 0.00 C ATOM 1123 O GLY A 69 9.751 -5.949 -7.304 1.00 0.00 O ATOM 0 H GLY A 69 8.132 -9.695 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.866 -7.132 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.414 -7.560 -8.423 1.00 0.00 H new ATOM 1127 N GLU A 70 8.688 -7.447 -6.000 1.00 0.00 N ATOM 1128 CA GLU A 70 9.085 -6.851 -4.709 1.00 0.00 C ATOM 1129 C GLU A 70 9.147 -7.856 -3.541 1.00 0.00 C ATOM 1130 O GLU A 70 9.392 -7.457 -2.396 1.00 0.00 O ATOM 1131 CB GLU A 70 8.195 -5.637 -4.378 1.00 0.00 C ATOM 1132 CG GLU A 70 8.950 -4.427 -3.814 1.00 0.00 C ATOM 1133 CD GLU A 70 9.854 -3.782 -4.857 1.00 0.00 C ATOM 1134 OE1 GLU A 70 9.360 -3.037 -5.732 1.00 0.00 O ATOM 1135 OE2 GLU A 70 11.079 -4.044 -4.842 1.00 0.00 O ATOM 0 H GLU A 70 8.108 -8.281 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 70 10.113 -6.510 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.669 -5.331 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.437 -5.944 -3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.234 -3.690 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.549 -4.740 -2.959 1.00 0.00 H new ATOM 1142 N GLN A 71 9.053 -9.139 -3.900 1.00 0.00 N ATOM 1143 CA GLN A 71 9.459 -10.383 -3.246 1.00 0.00 C ATOM 1144 C GLN A 71 8.832 -10.686 -1.888 1.00 0.00 C ATOM 1145 O GLN A 71 9.014 -11.831 -1.412 1.00 0.00 O ATOM 1146 CB GLN A 71 10.992 -10.543 -3.327 1.00 0.00 C ATOM 1147 CG GLN A 71 11.777 -9.451 -2.599 1.00 0.00 C ATOM 1148 CD GLN A 71 13.274 -9.687 -2.680 1.00 0.00 C ATOM 1149 OE1 GLN A 71 13.870 -10.379 -1.866 1.00 0.00 O ATOM 1150 NE2 GLN A 71 13.919 -9.127 -3.684 1.00 0.00 N ATOM 0 H GLN A 71 8.622 -9.359 -4.798 1.00 0.00 H new ATOM 0 HA GLN A 71 9.009 -11.192 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.267 -11.512 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.290 -10.551 -4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.538 -8.480 -3.033 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.470 -9.417 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.413 -8.552 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.924 -9.269 -3.787 1.00 0.00 H new TER 1159 GLN A 71