USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 21 ASN : amide:sc= 0.246 K(o=0.3,f=-12!) USER MOD Set 1.2: A 27 SER OG : rot 70:sc= 0.0514 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.112 (180deg=-0.551) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0659 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0145 K(o=-0.014,f=-1.6!) USER MOD Single : A 5 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.12) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 15 HIS : no HD1:sc= -1.15 X(o=-1.1,f=-1) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= 1.1 (180deg=0.495) USER MOD Single : A 29 LYS NZ :NH3+ -145:sc= -0.0734 (180deg=-1.99!) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= 0.969 (180deg=0.836) USER MOD Single : A 39 SER OG : rot 71:sc= 1.24 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0355 F(o=-2.1!,f=-0.036) USER MOD Single : A 49 THR OG1 : rot 72:sc= 0.694 USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0735 (180deg=-0.379) USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= 2.1 (180deg=1.78) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-2.5!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.507 K(o=0.51,f=-1.6!) USER MOD Single : A 85 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.025 -2.798 -14.125 1.00 54.32 N ATOM 2 CA MET A 1 -9.894 -3.734 -13.923 1.00 72.02 C ATOM 3 C MET A 1 -10.149 -4.601 -12.694 1.00 71.20 C ATOM 4 O MET A 1 -10.877 -4.195 -11.785 1.00 32.13 O ATOM 5 CB MET A 1 -8.587 -2.943 -13.756 1.00 61.32 C ATOM 6 CG MET A 1 -7.351 -3.812 -13.575 1.00 5.31 C ATOM 7 SD MET A 1 -5.847 -2.841 -13.344 1.00 42.14 S ATOM 8 CE MET A 1 -5.744 -1.990 -14.918 1.00 3.44 C ATOM 0 H1 MET A 1 -11.550 -3.068 -14.981 1.00 54.32 H new ATOM 0 H2 MET A 1 -11.660 -2.838 -13.302 1.00 54.32 H new ATOM 0 H3 MET A 1 -10.660 -1.830 -14.234 1.00 54.32 H new ATOM 0 HA MET A 1 -9.804 -4.382 -14.795 1.00 72.02 H new ATOM 0 HB2 MET A 1 -8.446 -2.308 -14.630 1.00 61.32 H new ATOM 0 HB3 MET A 1 -8.683 -2.283 -12.894 1.00 61.32 H new ATOM 0 HG2 MET A 1 -7.493 -4.465 -12.714 1.00 5.31 H new ATOM 0 HG3 MET A 1 -7.233 -4.456 -14.447 1.00 5.31 H new ATOM 0 HE1 MET A 1 -4.728 -1.627 -15.069 1.00 3.44 H new ATOM 0 HE2 MET A 1 -6.007 -2.678 -15.722 1.00 3.44 H new ATOM 0 HE3 MET A 1 -6.435 -1.147 -14.922 1.00 3.44 H new ATOM 20 N ASN A 2 -9.564 -5.795 -12.670 1.00 33.50 N ATOM 21 CA ASN A 2 -9.682 -6.677 -11.517 1.00 54.21 C ATOM 22 C ASN A 2 -8.894 -6.103 -10.351 1.00 35.43 C ATOM 23 O ASN A 2 -7.675 -5.938 -10.439 1.00 42.11 O ATOM 24 CB ASN A 2 -9.162 -8.080 -11.851 1.00 4.43 C ATOM 25 CG ASN A 2 -10.065 -8.844 -12.803 1.00 11.43 C ATOM 26 OD1 ASN A 2 -10.784 -8.261 -13.616 1.00 12.40 O ATOM 27 ND2 ASN A 2 -10.030 -10.164 -12.712 1.00 22.03 N ATOM 0 H ASN A 2 -9.005 -6.172 -13.435 1.00 33.50 H new ATOM 0 HA ASN A 2 -10.735 -6.753 -11.245 1.00 54.21 H new ATOM 0 HB2 ASN A 2 -8.169 -7.996 -12.292 1.00 4.43 H new ATOM 0 HB3 ASN A 2 -9.054 -8.649 -10.928 1.00 4.43 H new ATOM 0 HD21 ASN A 2 -10.611 -10.733 -13.328 1.00 22.03 H new ATOM 0 HD22 ASN A 2 -9.422 -10.612 -12.026 1.00 22.03 H new ATOM 34 N VAL A 3 -9.598 -5.798 -9.268 1.00 42.13 N ATOM 35 CA VAL A 3 -8.996 -5.148 -8.107 1.00 3.41 C ATOM 36 C VAL A 3 -7.883 -6.000 -7.498 1.00 32.22 C ATOM 37 O VAL A 3 -6.944 -5.475 -6.903 1.00 72.40 O ATOM 38 CB VAL A 3 -10.060 -4.825 -7.030 1.00 70.30 C ATOM 39 CG1 VAL A 3 -10.638 -6.094 -6.422 1.00 34.21 C ATOM 40 CG2 VAL A 3 -9.482 -3.917 -5.952 1.00 2.24 C ATOM 0 H VAL A 3 -10.594 -5.992 -9.168 1.00 42.13 H new ATOM 0 HA VAL A 3 -8.559 -4.214 -8.459 1.00 3.41 H new ATOM 0 HB VAL A 3 -10.876 -4.294 -7.519 1.00 70.30 H new ATOM 0 HG11 VAL A 3 -11.382 -5.831 -5.670 1.00 34.21 H new ATOM 0 HG12 VAL A 3 -11.108 -6.691 -7.204 1.00 34.21 H new ATOM 0 HG13 VAL A 3 -9.839 -6.671 -5.956 1.00 34.21 H new ATOM 0 HG21 VAL A 3 -10.248 -3.704 -5.207 1.00 2.24 H new ATOM 0 HG22 VAL A 3 -8.638 -4.413 -5.473 1.00 2.24 H new ATOM 0 HG23 VAL A 3 -9.146 -2.984 -6.404 1.00 2.24 H new ATOM 50 N ASP A 4 -7.986 -7.314 -7.670 1.00 51.05 N ATOM 51 CA ASP A 4 -6.979 -8.241 -7.155 1.00 62.21 C ATOM 52 C ASP A 4 -5.592 -7.908 -7.700 1.00 41.04 C ATOM 53 O ASP A 4 -4.605 -7.944 -6.964 1.00 44.24 O ATOM 54 CB ASP A 4 -7.346 -9.681 -7.507 1.00 73.53 C ATOM 55 CG ASP A 4 -6.232 -10.655 -7.186 1.00 33.12 C ATOM 56 OD1 ASP A 4 -6.043 -10.980 -5.995 1.00 23.14 O ATOM 57 OD2 ASP A 4 -5.547 -11.108 -8.128 1.00 11.24 O ATOM 0 H ASP A 4 -8.758 -7.764 -8.163 1.00 51.05 H new ATOM 0 HA ASP A 4 -6.955 -8.136 -6.070 1.00 62.21 H new ATOM 0 HB2 ASP A 4 -8.245 -9.968 -6.961 1.00 73.53 H new ATOM 0 HB3 ASP A 4 -7.585 -9.743 -8.569 1.00 73.53 H new ATOM 62 N HIS A 5 -5.521 -7.564 -8.982 1.00 32.00 N ATOM 63 CA HIS A 5 -4.252 -7.188 -9.597 1.00 32.43 C ATOM 64 C HIS A 5 -3.693 -5.930 -8.950 1.00 60.41 C ATOM 65 O HIS A 5 -2.486 -5.826 -8.729 1.00 33.41 O ATOM 66 CB HIS A 5 -4.402 -6.981 -11.105 1.00 14.11 C ATOM 67 CG HIS A 5 -4.238 -8.242 -11.897 1.00 53.30 C ATOM 68 ND1 HIS A 5 -4.753 -8.415 -13.164 1.00 61.32 N ATOM 69 CD2 HIS A 5 -3.599 -9.395 -11.594 1.00 23.44 C ATOM 70 CE1 HIS A 5 -4.441 -9.619 -13.603 1.00 41.43 C ATOM 71 NE2 HIS A 5 -3.741 -10.233 -12.670 1.00 23.20 N ATOM 0 H HIS A 5 -6.322 -7.538 -9.613 1.00 32.00 H new ATOM 0 HA HIS A 5 -3.553 -8.009 -9.435 1.00 32.43 H new ATOM 0 HB2 HIS A 5 -5.385 -6.557 -11.310 1.00 14.11 H new ATOM 0 HB3 HIS A 5 -3.664 -6.252 -11.440 1.00 14.11 H new ATOM 0 HD2 HIS A 5 -3.075 -9.615 -10.676 1.00 23.44 H new ATOM 0 HE1 HIS A 5 -4.713 -10.032 -14.563 1.00 41.43 H new ATOM 0 HE2 HIS A 5 -3.366 -11.179 -12.738 1.00 23.20 H new ATOM 80 N GLU A 6 -4.575 -4.986 -8.640 1.00 42.41 N ATOM 81 CA GLU A 6 -4.179 -3.765 -7.944 1.00 22.04 C ATOM 82 C GLU A 6 -3.585 -4.105 -6.576 1.00 4.45 C ATOM 83 O GLU A 6 -2.580 -3.528 -6.163 1.00 21.40 O ATOM 84 CB GLU A 6 -5.381 -2.829 -7.779 1.00 2.44 C ATOM 85 CG GLU A 6 -5.976 -2.347 -9.095 1.00 33.33 C ATOM 86 CD GLU A 6 -5.746 -0.866 -9.344 1.00 40.12 C ATOM 87 OE1 GLU A 6 -4.700 -0.508 -9.926 1.00 71.33 O ATOM 88 OE2 GLU A 6 -6.626 -0.054 -8.973 1.00 52.20 O ATOM 0 H GLU A 6 -5.570 -5.042 -8.859 1.00 42.41 H new ATOM 0 HA GLU A 6 -3.421 -3.257 -8.540 1.00 22.04 H new ATOM 0 HB2 GLU A 6 -6.154 -3.345 -7.210 1.00 2.44 H new ATOM 0 HB3 GLU A 6 -5.076 -1.963 -7.191 1.00 2.44 H new ATOM 0 HG2 GLU A 6 -5.542 -2.919 -9.915 1.00 33.33 H new ATOM 0 HG3 GLU A 6 -7.047 -2.548 -9.098 1.00 33.33 H new ATOM 95 N VAL A 7 -4.203 -5.067 -5.892 1.00 31.24 N ATOM 96 CA VAL A 7 -3.748 -5.497 -4.569 1.00 1.03 C ATOM 97 C VAL A 7 -2.341 -6.085 -4.634 1.00 73.41 C ATOM 98 O VAL A 7 -1.469 -5.727 -3.841 1.00 24.13 O ATOM 99 CB VAL A 7 -4.697 -6.548 -3.955 1.00 21.44 C ATOM 100 CG1 VAL A 7 -4.233 -6.944 -2.561 1.00 4.34 C ATOM 101 CG2 VAL A 7 -6.125 -6.029 -3.913 1.00 71.13 C ATOM 0 H VAL A 7 -5.024 -5.566 -6.234 1.00 31.24 H new ATOM 0 HA VAL A 7 -3.744 -4.608 -3.938 1.00 1.03 H new ATOM 0 HB VAL A 7 -4.674 -7.434 -4.590 1.00 21.44 H new ATOM 0 HG11 VAL A 7 -4.916 -7.686 -2.147 1.00 4.34 H new ATOM 0 HG12 VAL A 7 -3.230 -7.367 -2.618 1.00 4.34 H new ATOM 0 HG13 VAL A 7 -4.220 -6.064 -1.918 1.00 4.34 H new ATOM 0 HG21 VAL A 7 -6.775 -6.787 -3.476 1.00 71.13 H new ATOM 0 HG22 VAL A 7 -6.165 -5.124 -3.307 1.00 71.13 H new ATOM 0 HG23 VAL A 7 -6.460 -5.803 -4.925 1.00 71.13 H new ATOM 111 N ASN A 8 -2.122 -6.985 -5.585 1.00 31.15 N ATOM 112 CA ASN A 8 -0.817 -7.620 -5.749 1.00 62.52 C ATOM 113 C ASN A 8 0.201 -6.617 -6.268 1.00 43.25 C ATOM 114 O ASN A 8 1.398 -6.746 -6.022 1.00 12.15 O ATOM 115 CB ASN A 8 -0.907 -8.822 -6.692 1.00 34.33 C ATOM 116 CG ASN A 8 -1.815 -9.912 -6.155 1.00 54.42 C ATOM 117 OD1 ASN A 8 -1.976 -10.067 -4.945 1.00 42.33 O ATOM 118 ND2 ASN A 8 -2.408 -10.683 -7.050 1.00 61.35 N ATOM 0 H ASN A 8 -2.828 -7.292 -6.254 1.00 31.15 H new ATOM 0 HA ASN A 8 -0.490 -7.977 -4.772 1.00 62.52 H new ATOM 0 HB2 ASN A 8 -1.276 -8.492 -7.663 1.00 34.33 H new ATOM 0 HB3 ASN A 8 0.091 -9.230 -6.852 1.00 34.33 H new ATOM 0 HD21 ASN A 8 -3.024 -11.437 -6.746 1.00 61.35 H new ATOM 0 HD22 ASN A 8 -2.250 -10.524 -8.045 1.00 61.35 H new ATOM 125 N LEU A 9 -0.277 -5.620 -6.997 1.00 43.52 N ATOM 126 CA LEU A 9 0.569 -4.527 -7.436 1.00 54.52 C ATOM 127 C LEU A 9 1.014 -3.710 -6.225 1.00 62.34 C ATOM 128 O LEU A 9 2.170 -3.302 -6.127 1.00 13.02 O ATOM 129 CB LEU A 9 -0.192 -3.647 -8.425 1.00 61.42 C ATOM 130 CG LEU A 9 0.571 -2.431 -8.936 1.00 23.42 C ATOM 131 CD1 LEU A 9 1.769 -2.853 -9.773 1.00 5.23 C ATOM 132 CD2 LEU A 9 -0.354 -1.530 -9.734 1.00 11.34 C ATOM 0 H LEU A 9 -1.249 -5.548 -7.296 1.00 43.52 H new ATOM 0 HA LEU A 9 1.451 -4.926 -7.936 1.00 54.52 H new ATOM 0 HB2 LEU A 9 -0.484 -4.258 -9.279 1.00 61.42 H new ATOM 0 HB3 LEU A 9 -1.111 -3.305 -7.949 1.00 61.42 H new ATOM 0 HG LEU A 9 0.945 -1.873 -8.078 1.00 23.42 H new ATOM 0 HD11 LEU A 9 2.297 -1.967 -10.126 1.00 5.23 H new ATOM 0 HD12 LEU A 9 2.442 -3.458 -9.166 1.00 5.23 H new ATOM 0 HD13 LEU A 9 1.428 -3.437 -10.628 1.00 5.23 H new ATOM 0 HD21 LEU A 9 0.202 -0.665 -10.094 1.00 11.34 H new ATOM 0 HD22 LEU A 9 -0.756 -2.082 -10.584 1.00 11.34 H new ATOM 0 HD23 LEU A 9 -1.174 -1.196 -9.098 1.00 11.34 H new ATOM 144 N LEU A 10 0.085 -3.499 -5.298 1.00 62.04 N ATOM 145 CA LEU A 10 0.363 -2.776 -4.064 1.00 64.20 C ATOM 146 C LEU A 10 1.487 -3.444 -3.281 1.00 3.03 C ATOM 147 O LEU A 10 2.438 -2.780 -2.866 1.00 1.43 O ATOM 148 CB LEU A 10 -0.899 -2.703 -3.201 1.00 74.32 C ATOM 149 CG LEU A 10 -0.770 -1.897 -1.908 1.00 44.22 C ATOM 150 CD1 LEU A 10 -0.510 -0.432 -2.213 1.00 52.14 C ATOM 151 CD2 LEU A 10 -2.023 -2.053 -1.057 1.00 12.53 C ATOM 0 H LEU A 10 -0.878 -3.824 -5.381 1.00 62.04 H new ATOM 0 HA LEU A 10 0.679 -1.766 -4.327 1.00 64.20 H new ATOM 0 HB2 LEU A 10 -1.702 -2.271 -3.799 1.00 74.32 H new ATOM 0 HB3 LEU A 10 -1.202 -3.718 -2.946 1.00 74.32 H new ATOM 0 HG LEU A 10 0.080 -2.284 -1.345 1.00 44.22 H new ATOM 0 HD11 LEU A 10 -0.421 0.124 -1.280 1.00 52.14 H new ATOM 0 HD12 LEU A 10 0.416 -0.337 -2.781 1.00 52.14 H new ATOM 0 HD13 LEU A 10 -1.337 -0.030 -2.798 1.00 52.14 H new ATOM 0 HD21 LEU A 10 -1.915 -1.473 -0.140 1.00 12.53 H new ATOM 0 HD22 LEU A 10 -2.888 -1.693 -1.614 1.00 12.53 H new ATOM 0 HD23 LEU A 10 -2.164 -3.104 -0.807 1.00 12.53 H new ATOM 163 N VAL A 11 1.386 -4.760 -3.092 1.00 63.41 N ATOM 164 CA VAL A 11 2.399 -5.488 -2.335 1.00 62.22 C ATOM 165 C VAL A 11 3.751 -5.416 -3.045 1.00 64.03 C ATOM 166 O VAL A 11 4.798 -5.344 -2.399 1.00 44.55 O ATOM 167 CB VAL A 11 2.003 -6.970 -2.074 1.00 2.23 C ATOM 168 CG1 VAL A 11 0.582 -7.058 -1.546 1.00 24.22 C ATOM 169 CG2 VAL A 11 2.173 -7.843 -3.307 1.00 22.45 C ATOM 0 H VAL A 11 0.623 -5.336 -3.448 1.00 63.41 H new ATOM 0 HA VAL A 11 2.476 -5.003 -1.362 1.00 62.22 H new ATOM 0 HB VAL A 11 2.686 -7.354 -1.317 1.00 2.23 H new ATOM 0 HG11 VAL A 11 0.323 -8.102 -1.370 1.00 24.22 H new ATOM 0 HG12 VAL A 11 0.506 -6.502 -0.611 1.00 24.22 H new ATOM 0 HG13 VAL A 11 -0.105 -6.633 -2.278 1.00 24.22 H new ATOM 0 HG21 VAL A 11 1.883 -8.867 -3.071 1.00 22.45 H new ATOM 0 HG22 VAL A 11 1.542 -7.464 -4.111 1.00 22.45 H new ATOM 0 HG23 VAL A 11 3.216 -7.825 -3.624 1.00 22.45 H new ATOM 179 N GLU A 12 3.714 -5.388 -4.374 1.00 43.44 N ATOM 180 CA GLU A 12 4.922 -5.296 -5.182 1.00 11.42 C ATOM 181 C GLU A 12 5.614 -3.958 -4.944 1.00 71.43 C ATOM 182 O GLU A 12 6.817 -3.902 -4.680 1.00 53.43 O ATOM 183 CB GLU A 12 4.573 -5.445 -6.667 1.00 50.42 C ATOM 184 CG GLU A 12 5.513 -6.360 -7.434 1.00 62.21 C ATOM 185 CD GLU A 12 6.973 -6.010 -7.242 1.00 53.53 C ATOM 186 OE1 GLU A 12 7.445 -5.043 -7.871 1.00 14.22 O ATOM 187 OE2 GLU A 12 7.656 -6.722 -6.474 1.00 43.33 O ATOM 0 H GLU A 12 2.851 -5.428 -4.917 1.00 43.44 H new ATOM 0 HA GLU A 12 5.599 -6.100 -4.893 1.00 11.42 H new ATOM 0 HB2 GLU A 12 3.557 -5.830 -6.754 1.00 50.42 H new ATOM 0 HB3 GLU A 12 4.582 -4.459 -7.132 1.00 50.42 H new ATOM 0 HG2 GLU A 12 5.348 -7.389 -7.116 1.00 62.21 H new ATOM 0 HG3 GLU A 12 5.271 -6.312 -8.496 1.00 62.21 H new ATOM 194 N GLU A 13 4.838 -2.883 -5.014 1.00 13.15 N ATOM 195 CA GLU A 13 5.375 -1.544 -4.826 1.00 24.53 C ATOM 196 C GLU A 13 5.970 -1.385 -3.430 1.00 2.21 C ATOM 197 O GLU A 13 7.022 -0.774 -3.268 1.00 54.24 O ATOM 198 CB GLU A 13 4.297 -0.484 -5.062 1.00 32.00 C ATOM 199 CG GLU A 13 3.676 -0.537 -6.450 1.00 52.04 C ATOM 200 CD GLU A 13 4.709 -0.558 -7.561 1.00 42.32 C ATOM 201 OE1 GLU A 13 5.430 0.444 -7.737 1.00 2.32 O ATOM 202 OE2 GLU A 13 4.813 -1.586 -8.261 1.00 24.04 O ATOM 0 H GLU A 13 3.836 -2.914 -5.200 1.00 13.15 H new ATOM 0 HA GLU A 13 6.169 -1.401 -5.559 1.00 24.53 H new ATOM 0 HB2 GLU A 13 3.510 -0.607 -4.317 1.00 32.00 H new ATOM 0 HB3 GLU A 13 4.731 0.503 -4.906 1.00 32.00 H new ATOM 0 HG2 GLU A 13 3.049 -1.425 -6.528 1.00 52.04 H new ATOM 0 HG3 GLU A 13 3.024 0.326 -6.584 1.00 52.04 H new ATOM 209 N ILE A 14 5.306 -1.946 -2.425 1.00 71.21 N ATOM 210 CA ILE A 14 5.807 -1.876 -1.052 1.00 14.02 C ATOM 211 C ILE A 14 7.087 -2.703 -0.896 1.00 73.13 C ATOM 212 O ILE A 14 7.972 -2.352 -0.122 1.00 0.53 O ATOM 213 CB ILE A 14 4.748 -2.343 -0.025 1.00 23.12 C ATOM 214 CG1 ILE A 14 3.453 -1.546 -0.205 1.00 74.31 C ATOM 215 CG2 ILE A 14 5.272 -2.175 1.398 1.00 50.45 C ATOM 216 CD1 ILE A 14 2.328 -1.992 0.706 1.00 33.05 C ATOM 0 H ILE A 14 4.426 -2.451 -2.531 1.00 71.21 H new ATOM 0 HA ILE A 14 6.032 -0.829 -0.849 1.00 14.02 H new ATOM 0 HB ILE A 14 4.542 -3.399 -0.197 1.00 23.12 H new ATOM 0 HG12 ILE A 14 3.659 -0.491 -0.023 1.00 74.31 H new ATOM 0 HG13 ILE A 14 3.125 -1.633 -1.241 1.00 74.31 H new ATOM 0 HG21 ILE A 14 4.514 -2.508 2.107 1.00 50.45 H new ATOM 0 HG22 ILE A 14 6.175 -2.771 1.526 1.00 50.45 H new ATOM 0 HG23 ILE A 14 5.502 -1.125 1.580 1.00 50.45 H new ATOM 0 HD11 ILE A 14 1.445 -1.381 0.520 1.00 33.05 H new ATOM 0 HD12 ILE A 14 2.093 -3.038 0.509 1.00 33.05 H new ATOM 0 HD13 ILE A 14 2.635 -1.879 1.746 1.00 33.05 H new ATOM 228 N HIS A 15 7.183 -3.800 -1.634 1.00 1.23 N ATOM 229 CA HIS A 15 8.392 -4.619 -1.631 1.00 1.40 C ATOM 230 C HIS A 15 9.604 -3.821 -2.107 1.00 15.51 C ATOM 231 O HIS A 15 10.696 -3.942 -1.553 1.00 73.03 O ATOM 232 CB HIS A 15 8.214 -5.843 -2.529 1.00 54.40 C ATOM 233 CG HIS A 15 7.752 -7.076 -1.815 1.00 3.25 C ATOM 234 ND1 HIS A 15 8.547 -8.185 -1.664 1.00 63.44 N ATOM 235 CD2 HIS A 15 6.568 -7.384 -1.236 1.00 54.50 C ATOM 236 CE1 HIS A 15 7.875 -9.122 -1.025 1.00 14.51 C ATOM 237 NE2 HIS A 15 6.664 -8.666 -0.749 1.00 65.33 N ATOM 0 H HIS A 15 6.441 -4.145 -2.242 1.00 1.23 H new ATOM 0 HA HIS A 15 8.564 -4.941 -0.604 1.00 1.40 H new ATOM 0 HB2 HIS A 15 7.496 -5.602 -3.312 1.00 54.40 H new ATOM 0 HB3 HIS A 15 9.162 -6.058 -3.021 1.00 54.40 H new ATOM 0 HD2 HIS A 15 5.704 -6.739 -1.169 1.00 54.50 H new ATOM 0 HE1 HIS A 15 8.251 -10.101 -0.769 1.00 14.51 H new ATOM 0 HE2 HIS A 15 5.929 -9.177 -0.260 1.00 65.33 H new ATOM 246 N ARG A 16 9.405 -3.018 -3.146 1.00 60.22 N ATOM 247 CA ARG A 16 10.495 -2.250 -3.744 1.00 2.31 C ATOM 248 C ARG A 16 10.711 -0.902 -3.056 1.00 53.44 C ATOM 249 O ARG A 16 11.837 -0.557 -2.700 1.00 45.32 O ATOM 250 CB ARG A 16 10.216 -2.035 -5.232 1.00 24.55 C ATOM 251 CG ARG A 16 10.704 -3.168 -6.124 1.00 4.41 C ATOM 252 CD ARG A 16 9.946 -3.202 -7.446 1.00 11.41 C ATOM 253 NE ARG A 16 9.537 -1.865 -7.878 1.00 20.42 N ATOM 254 CZ ARG A 16 8.263 -1.483 -7.972 1.00 52.33 C ATOM 255 NH1 ARG A 16 7.291 -2.376 -7.829 1.00 42.03 N ATOM 256 NH2 ARG A 16 7.960 -0.219 -8.236 1.00 50.31 N ATOM 0 H ARG A 16 8.499 -2.881 -3.593 1.00 60.22 H new ATOM 0 HA ARG A 16 11.410 -2.828 -3.612 1.00 2.31 H new ATOM 0 HB2 ARG A 16 9.143 -1.910 -5.375 1.00 24.55 H new ATOM 0 HB3 ARG A 16 10.690 -1.106 -5.550 1.00 24.55 H new ATOM 0 HG2 ARG A 16 11.770 -3.047 -6.317 1.00 4.41 H new ATOM 0 HG3 ARG A 16 10.579 -4.119 -5.607 1.00 4.41 H new ATOM 0 HD2 ARG A 16 10.575 -3.654 -8.213 1.00 11.41 H new ATOM 0 HD3 ARG A 16 9.065 -3.835 -7.342 1.00 11.41 H new ATOM 0 HE ARG A 16 10.263 -1.191 -8.119 1.00 20.42 H new ATOM 0 HH11 ARG A 16 7.519 -3.353 -7.647 1.00 42.03 H new ATOM 0 HH12 ARG A 16 6.316 -2.085 -7.901 1.00 42.03 H new ATOM 0 HH21 ARG A 16 8.703 0.467 -8.368 1.00 50.31 H new ATOM 0 HH22 ARG A 16 6.984 0.067 -8.307 1.00 50.31 H new ATOM 270 N LEU A 17 9.636 -0.148 -2.861 1.00 22.04 N ATOM 271 CA LEU A 17 9.731 1.201 -2.301 1.00 54.34 C ATOM 272 C LEU A 17 9.811 1.170 -0.782 1.00 71.41 C ATOM 273 O LEU A 17 10.215 2.150 -0.156 1.00 73.23 O ATOM 274 CB LEU A 17 8.529 2.060 -2.715 1.00 3.52 C ATOM 275 CG LEU A 17 8.556 2.627 -4.140 1.00 72.42 C ATOM 276 CD1 LEU A 17 8.397 1.527 -5.175 1.00 4.21 C ATOM 277 CD2 LEU A 17 7.467 3.677 -4.307 1.00 45.41 C ATOM 0 H LEU A 17 8.686 -0.445 -3.082 1.00 22.04 H new ATOM 0 HA LEU A 17 10.646 1.640 -2.699 1.00 54.34 H new ATOM 0 HB2 LEU A 17 7.626 1.461 -2.603 1.00 3.52 H new ATOM 0 HB3 LEU A 17 8.448 2.893 -2.017 1.00 3.52 H new ATOM 0 HG LEU A 17 9.527 3.095 -4.300 1.00 72.42 H new ATOM 0 HD11 LEU A 17 8.420 1.962 -6.174 1.00 4.21 H new ATOM 0 HD12 LEU A 17 9.212 0.810 -5.072 1.00 4.21 H new ATOM 0 HD13 LEU A 17 7.445 1.019 -5.022 1.00 4.21 H new ATOM 0 HD21 LEU A 17 7.496 4.073 -5.322 1.00 45.41 H new ATOM 0 HD22 LEU A 17 6.493 3.224 -4.121 1.00 45.41 H new ATOM 0 HD23 LEU A 17 7.631 4.488 -3.597 1.00 45.41 H new ATOM 289 N GLY A 18 9.422 0.052 -0.195 1.00 43.12 N ATOM 290 CA GLY A 18 9.359 -0.046 1.241 1.00 2.05 C ATOM 291 C GLY A 18 10.702 -0.324 1.869 1.00 52.43 C ATOM 292 O GLY A 18 11.645 -0.754 1.202 1.00 70.25 O ATOM 0 H GLY A 18 9.147 -0.794 -0.694 1.00 43.12 H new ATOM 0 HA2 GLY A 18 8.959 0.883 1.647 1.00 2.05 H new ATOM 0 HA3 GLY A 18 8.664 -0.839 1.516 1.00 2.05 H new ATOM 296 N SER A 19 10.782 -0.069 3.155 1.00 23.31 N ATOM 297 CA SER A 19 11.984 -0.312 3.925 1.00 42.43 C ATOM 298 C SER A 19 11.654 -1.263 5.065 1.00 54.31 C ATOM 299 O SER A 19 10.506 -1.332 5.497 1.00 62.04 O ATOM 300 CB SER A 19 12.523 1.016 4.466 1.00 52.32 C ATOM 301 OG SER A 19 13.719 0.839 5.205 1.00 54.34 O ATOM 0 H SER A 19 10.011 0.315 3.701 1.00 23.31 H new ATOM 0 HA SER A 19 12.751 -0.763 3.295 1.00 42.43 H new ATOM 0 HB2 SER A 19 12.707 1.698 3.636 1.00 52.32 H new ATOM 0 HB3 SER A 19 11.769 1.482 5.101 1.00 52.32 H new ATOM 0 HG SER A 19 14.033 1.708 5.532 1.00 54.34 H new ATOM 307 N LYS A 20 12.640 -2.006 5.543 1.00 62.21 N ATOM 308 CA LYS A 20 12.401 -2.940 6.630 1.00 51.21 C ATOM 309 C LYS A 20 12.420 -2.235 7.969 1.00 53.11 C ATOM 310 O LYS A 20 13.337 -1.474 8.280 1.00 21.44 O ATOM 311 CB LYS A 20 13.413 -4.084 6.629 1.00 14.43 C ATOM 312 CG LYS A 20 13.168 -5.094 5.526 1.00 75.10 C ATOM 313 CD LYS A 20 14.097 -6.296 5.641 1.00 65.32 C ATOM 314 CE LYS A 20 15.561 -5.895 5.550 1.00 53.22 C ATOM 315 NZ LYS A 20 16.462 -7.077 5.625 1.00 31.33 N ATOM 0 H LYS A 20 13.601 -1.981 5.201 1.00 62.21 H new ATOM 0 HA LYS A 20 11.410 -3.365 6.469 1.00 51.21 H new ATOM 0 HB2 LYS A 20 14.417 -3.673 6.521 1.00 14.43 H new ATOM 0 HB3 LYS A 20 13.379 -4.592 7.593 1.00 14.43 H new ATOM 0 HG2 LYS A 20 12.132 -5.431 5.565 1.00 75.10 H new ATOM 0 HG3 LYS A 20 13.311 -4.616 4.557 1.00 75.10 H new ATOM 0 HD2 LYS A 20 13.918 -6.803 6.589 1.00 65.32 H new ATOM 0 HD3 LYS A 20 13.867 -7.009 4.850 1.00 65.32 H new ATOM 0 HE2 LYS A 20 15.735 -5.364 4.614 1.00 53.22 H new ATOM 0 HE3 LYS A 20 15.800 -5.204 6.358 1.00 53.22 H new ATOM 0 HZ1 LYS A 20 17.452 -6.764 5.560 1.00 31.33 H new ATOM 0 HZ2 LYS A 20 16.314 -7.570 6.529 1.00 31.33 H new ATOM 0 HZ3 LYS A 20 16.251 -7.725 4.839 1.00 31.33 H new ATOM 329 N ASN A 21 11.394 -2.497 8.751 1.00 2.44 N ATOM 330 CA ASN A 21 11.270 -1.921 10.080 1.00 54.42 C ATOM 331 C ASN A 21 11.976 -2.805 11.106 1.00 62.00 C ATOM 332 O ASN A 21 12.632 -3.786 10.743 1.00 70.40 O ATOM 333 CB ASN A 21 9.789 -1.721 10.452 1.00 63.30 C ATOM 334 CG ASN A 21 8.961 -2.997 10.397 1.00 63.42 C ATOM 335 OD1 ASN A 21 9.468 -4.097 10.597 1.00 30.40 O ATOM 336 ND2 ASN A 21 7.674 -2.856 10.122 1.00 12.12 N ATOM 0 H ASN A 21 10.624 -3.112 8.488 1.00 2.44 H new ATOM 0 HA ASN A 21 11.750 -0.942 10.081 1.00 54.42 H new ATOM 0 HB2 ASN A 21 9.730 -1.305 11.458 1.00 63.30 H new ATOM 0 HB3 ASN A 21 9.351 -0.986 9.777 1.00 63.30 H new ATOM 0 HD21 ASN A 21 7.071 -3.677 10.071 1.00 12.12 H new ATOM 0 HD22 ASN A 21 7.286 -1.927 9.961 1.00 12.12 H new ATOM 343 N ALA A 22 11.847 -2.457 12.379 1.00 43.33 N ATOM 344 CA ALA A 22 12.496 -3.207 13.448 1.00 43.34 C ATOM 345 C ALA A 22 11.852 -4.578 13.624 1.00 13.22 C ATOM 346 O ALA A 22 12.482 -5.519 14.107 1.00 41.10 O ATOM 347 CB ALA A 22 12.438 -2.424 14.749 1.00 12.33 C ATOM 0 H ALA A 22 11.298 -1.659 12.698 1.00 43.33 H new ATOM 0 HA ALA A 22 13.540 -3.357 13.173 1.00 43.34 H new ATOM 0 HB1 ALA A 22 12.926 -2.995 15.539 1.00 12.33 H new ATOM 0 HB2 ALA A 22 12.949 -1.470 14.622 1.00 12.33 H new ATOM 0 HB3 ALA A 22 11.397 -2.245 15.020 1.00 12.33 H new ATOM 353 N ASP A 23 10.602 -4.684 13.204 1.00 31.43 N ATOM 354 CA ASP A 23 9.848 -5.928 13.317 1.00 11.02 C ATOM 355 C ASP A 23 10.256 -6.909 12.217 1.00 22.31 C ATOM 356 O ASP A 23 9.960 -8.102 12.285 1.00 44.12 O ATOM 357 CB ASP A 23 8.350 -5.627 13.234 1.00 22.42 C ATOM 358 CG ASP A 23 7.483 -6.836 13.528 1.00 61.24 C ATOM 359 OD1 ASP A 23 7.384 -7.227 14.711 1.00 25.54 O ATOM 360 OD2 ASP A 23 6.885 -7.390 12.584 1.00 21.42 O ATOM 0 H ASP A 23 10.082 -3.917 12.777 1.00 31.43 H new ATOM 0 HA ASP A 23 10.069 -6.389 14.280 1.00 11.02 H new ATOM 0 HB2 ASP A 23 8.106 -4.832 13.939 1.00 22.42 H new ATOM 0 HB3 ASP A 23 8.115 -5.253 12.238 1.00 22.42 H new ATOM 365 N GLY A 24 10.946 -6.393 11.207 1.00 32.34 N ATOM 366 CA GLY A 24 11.458 -7.233 10.142 1.00 41.22 C ATOM 367 C GLY A 24 10.541 -7.282 8.937 1.00 31.12 C ATOM 368 O GLY A 24 10.654 -8.177 8.101 1.00 71.01 O ATOM 0 H GLY A 24 11.161 -5.401 11.107 1.00 32.34 H new ATOM 0 HA2 GLY A 24 12.436 -6.864 9.833 1.00 41.22 H new ATOM 0 HA3 GLY A 24 11.604 -8.244 10.522 1.00 41.22 H new ATOM 372 N LYS A 25 9.636 -6.319 8.840 1.00 72.12 N ATOM 373 CA LYS A 25 8.701 -6.267 7.723 1.00 41.14 C ATOM 374 C LYS A 25 8.852 -4.969 6.939 1.00 73.45 C ATOM 375 O LYS A 25 9.503 -4.028 7.394 1.00 30.34 O ATOM 376 CB LYS A 25 7.265 -6.423 8.227 1.00 53.02 C ATOM 377 CG LYS A 25 6.999 -7.778 8.860 1.00 3.33 C ATOM 378 CD LYS A 25 5.620 -7.847 9.489 1.00 61.43 C ATOM 379 CE LYS A 25 5.394 -9.183 10.173 1.00 53.31 C ATOM 380 NZ LYS A 25 6.496 -9.514 11.113 1.00 10.04 N ATOM 0 H LYS A 25 9.528 -5.565 9.518 1.00 72.12 H new ATOM 0 HA LYS A 25 8.930 -7.093 7.050 1.00 41.14 H new ATOM 0 HB2 LYS A 25 7.055 -5.641 8.956 1.00 53.02 H new ATOM 0 HB3 LYS A 25 6.576 -6.276 7.395 1.00 53.02 H new ATOM 0 HG2 LYS A 25 7.092 -8.557 8.103 1.00 3.33 H new ATOM 0 HG3 LYS A 25 7.755 -7.979 9.619 1.00 3.33 H new ATOM 0 HD2 LYS A 25 5.508 -7.041 10.214 1.00 61.43 H new ATOM 0 HD3 LYS A 25 4.860 -7.695 8.723 1.00 61.43 H new ATOM 0 HE2 LYS A 25 4.449 -9.159 10.715 1.00 53.31 H new ATOM 0 HE3 LYS A 25 5.310 -9.967 9.421 1.00 53.31 H new ATOM 0 HZ1 LYS A 25 6.122 -10.080 11.901 1.00 10.04 H new ATOM 0 HZ2 LYS A 25 7.227 -10.058 10.613 1.00 10.04 H new ATOM 0 HZ3 LYS A 25 6.911 -8.636 11.484 1.00 10.04 H new ATOM 394 N LEU A 26 8.263 -4.934 5.751 1.00 22.31 N ATOM 395 CA LEU A 26 8.321 -3.762 4.897 1.00 42.14 C ATOM 396 C LEU A 26 7.356 -2.694 5.373 1.00 42.01 C ATOM 397 O LEU A 26 6.234 -2.988 5.779 1.00 24.31 O ATOM 398 CB LEU A 26 7.986 -4.130 3.447 1.00 12.23 C ATOM 399 CG LEU A 26 9.041 -4.933 2.683 1.00 22.21 C ATOM 400 CD1 LEU A 26 10.370 -4.196 2.659 1.00 41.34 C ATOM 401 CD2 LEU A 26 9.210 -6.331 3.261 1.00 21.42 C ATOM 0 H LEU A 26 7.736 -5.713 5.357 1.00 22.31 H new ATOM 0 HA LEU A 26 9.338 -3.372 4.946 1.00 42.14 H new ATOM 0 HB2 LEU A 26 7.057 -4.700 3.446 1.00 12.23 H new ATOM 0 HB3 LEU A 26 7.795 -3.209 2.897 1.00 12.23 H new ATOM 0 HG LEU A 26 8.689 -5.041 1.657 1.00 22.21 H new ATOM 0 HD11 LEU A 26 11.104 -4.787 2.110 1.00 41.34 H new ATOM 0 HD12 LEU A 26 10.242 -3.231 2.169 1.00 41.34 H new ATOM 0 HD13 LEU A 26 10.719 -4.041 3.680 1.00 41.34 H new ATOM 0 HD21 LEU A 26 9.967 -6.871 2.692 1.00 21.42 H new ATOM 0 HD22 LEU A 26 9.522 -6.259 4.303 1.00 21.42 H new ATOM 0 HD23 LEU A 26 8.262 -6.866 3.202 1.00 21.42 H new ATOM 413 N SER A 27 7.809 -1.460 5.348 1.00 23.30 N ATOM 414 CA SER A 27 6.960 -0.326 5.643 1.00 12.41 C ATOM 415 C SER A 27 7.343 0.844 4.745 1.00 34.04 C ATOM 416 O SER A 27 8.523 1.034 4.433 1.00 51.41 O ATOM 417 CB SER A 27 7.090 0.062 7.116 1.00 62.13 C ATOM 418 OG SER A 27 6.870 -1.059 7.954 1.00 2.41 O ATOM 0 H SER A 27 8.773 -1.214 5.123 1.00 23.30 H new ATOM 0 HA SER A 27 5.921 -0.594 5.451 1.00 12.41 H new ATOM 0 HB2 SER A 27 8.083 0.471 7.302 1.00 62.13 H new ATOM 0 HB3 SER A 27 6.372 0.846 7.355 1.00 62.13 H new ATOM 0 HG SER A 27 7.619 -1.685 7.866 1.00 2.41 H new ATOM 424 N VAL A 28 6.356 1.608 4.310 1.00 33.41 N ATOM 425 CA VAL A 28 6.610 2.755 3.457 1.00 5.21 C ATOM 426 C VAL A 28 5.628 3.880 3.766 1.00 20.04 C ATOM 427 O VAL A 28 4.445 3.632 3.994 1.00 44.42 O ATOM 428 CB VAL A 28 6.534 2.370 1.955 1.00 64.32 C ATOM 429 CG1 VAL A 28 5.162 1.819 1.595 1.00 33.45 C ATOM 430 CG2 VAL A 28 6.886 3.557 1.070 1.00 54.42 C ATOM 0 H VAL A 28 5.373 1.455 4.533 1.00 33.41 H new ATOM 0 HA VAL A 28 7.621 3.105 3.664 1.00 5.21 H new ATOM 0 HB VAL A 28 7.268 1.584 1.779 1.00 64.32 H new ATOM 0 HG11 VAL A 28 5.141 1.559 0.537 1.00 33.45 H new ATOM 0 HG12 VAL A 28 4.959 0.930 2.192 1.00 33.45 H new ATOM 0 HG13 VAL A 28 4.402 2.573 1.798 1.00 33.45 H new ATOM 0 HG21 VAL A 28 6.825 3.261 0.023 1.00 54.42 H new ATOM 0 HG22 VAL A 28 6.186 4.371 1.258 1.00 54.42 H new ATOM 0 HG23 VAL A 28 7.899 3.890 1.294 1.00 54.42 H new ATOM 440 N LYS A 29 6.124 5.111 3.815 1.00 60.31 N ATOM 441 CA LYS A 29 5.257 6.268 3.975 1.00 43.43 C ATOM 442 C LYS A 29 4.326 6.378 2.778 1.00 54.52 C ATOM 443 O LYS A 29 4.777 6.335 1.630 1.00 63.44 O ATOM 444 CB LYS A 29 6.073 7.559 4.108 1.00 30.04 C ATOM 445 CG LYS A 29 6.549 7.878 5.521 1.00 44.52 C ATOM 446 CD LYS A 29 7.547 6.858 6.037 1.00 54.22 C ATOM 447 CE LYS A 29 8.180 7.301 7.350 1.00 2.15 C ATOM 448 NZ LYS A 29 7.171 7.499 8.426 1.00 40.52 N ATOM 0 H LYS A 29 7.118 5.331 3.746 1.00 60.31 H new ATOM 0 HA LYS A 29 4.676 6.134 4.888 1.00 43.43 H new ATOM 0 HB2 LYS A 29 6.943 7.490 3.455 1.00 30.04 H new ATOM 0 HB3 LYS A 29 5.469 8.392 3.748 1.00 30.04 H new ATOM 0 HG2 LYS A 29 7.005 8.868 5.533 1.00 44.52 H new ATOM 0 HG3 LYS A 29 5.690 7.914 6.192 1.00 44.52 H new ATOM 0 HD2 LYS A 29 7.047 5.900 6.179 1.00 54.22 H new ATOM 0 HD3 LYS A 29 8.327 6.703 5.291 1.00 54.22 H new ATOM 0 HE2 LYS A 29 8.907 6.555 7.670 1.00 2.15 H new ATOM 0 HE3 LYS A 29 8.726 8.231 7.192 1.00 2.15 H new ATOM 0 HZ1 LYS A 29 7.462 8.292 9.033 1.00 40.52 H new ATOM 0 HZ2 LYS A 29 6.246 7.711 8.000 1.00 40.52 H new ATOM 0 HZ3 LYS A 29 7.099 6.633 8.998 1.00 40.52 H new ATOM 462 N PHE A 30 3.034 6.504 3.052 1.00 64.45 N ATOM 463 CA PHE A 30 2.032 6.625 2.002 1.00 44.02 C ATOM 464 C PHE A 30 2.365 7.778 1.069 1.00 54.05 C ATOM 465 O PHE A 30 2.187 7.675 -0.138 1.00 53.21 O ATOM 466 CB PHE A 30 0.644 6.833 2.606 1.00 33.25 C ATOM 467 CG PHE A 30 -0.460 6.851 1.586 1.00 71.42 C ATOM 468 CD1 PHE A 30 -0.797 5.702 0.894 1.00 54.55 C ATOM 469 CD2 PHE A 30 -1.155 8.019 1.319 1.00 3.24 C ATOM 470 CE1 PHE A 30 -1.807 5.717 -0.048 1.00 40.41 C ATOM 471 CE2 PHE A 30 -2.167 8.039 0.377 1.00 52.41 C ATOM 472 CZ PHE A 30 -2.494 6.885 -0.306 1.00 34.25 C ATOM 0 H PHE A 30 2.654 6.525 3.998 1.00 64.45 H new ATOM 0 HA PHE A 30 2.034 5.698 1.428 1.00 44.02 H new ATOM 0 HB2 PHE A 30 0.448 6.039 3.327 1.00 33.25 H new ATOM 0 HB3 PHE A 30 0.634 7.774 3.157 1.00 33.25 H new ATOM 0 HD1 PHE A 30 -0.265 4.783 1.092 1.00 54.55 H new ATOM 0 HD2 PHE A 30 -0.904 8.924 1.852 1.00 3.24 H new ATOM 0 HE1 PHE A 30 -2.059 4.813 -0.583 1.00 40.41 H new ATOM 0 HE2 PHE A 30 -2.701 8.956 0.176 1.00 52.41 H new ATOM 0 HZ PHE A 30 -3.286 6.896 -1.041 1.00 34.25 H new ATOM 482 N GLY A 31 2.869 8.865 1.639 1.00 52.23 N ATOM 483 CA GLY A 31 3.234 10.024 0.848 1.00 15.32 C ATOM 484 C GLY A 31 4.302 9.712 -0.181 1.00 11.45 C ATOM 485 O GLY A 31 4.326 10.303 -1.257 1.00 15.53 O ATOM 0 H GLY A 31 3.032 8.965 2.641 1.00 52.23 H new ATOM 0 HA2 GLY A 31 2.348 10.408 0.342 1.00 15.32 H new ATOM 0 HA3 GLY A 31 3.591 10.813 1.509 1.00 15.32 H new ATOM 489 N VAL A 32 5.185 8.777 0.143 1.00 12.41 N ATOM 490 CA VAL A 32 6.251 8.386 -0.767 1.00 1.32 C ATOM 491 C VAL A 32 5.696 7.515 -1.888 1.00 53.55 C ATOM 492 O VAL A 32 5.976 7.742 -3.069 1.00 73.31 O ATOM 493 CB VAL A 32 7.370 7.624 -0.026 1.00 15.43 C ATOM 494 CG1 VAL A 32 8.470 7.193 -0.988 1.00 23.43 C ATOM 495 CG2 VAL A 32 7.949 8.479 1.090 1.00 52.22 C ATOM 0 H VAL A 32 5.183 8.275 1.031 1.00 12.41 H new ATOM 0 HA VAL A 32 6.676 9.296 -1.190 1.00 1.32 H new ATOM 0 HB VAL A 32 6.932 6.727 0.412 1.00 15.43 H new ATOM 0 HG11 VAL A 32 9.245 6.658 -0.439 1.00 23.43 H new ATOM 0 HG12 VAL A 32 8.050 6.539 -1.752 1.00 23.43 H new ATOM 0 HG13 VAL A 32 8.903 8.073 -1.463 1.00 23.43 H new ATOM 0 HG21 VAL A 32 8.736 7.925 1.601 1.00 52.22 H new ATOM 0 HG22 VAL A 32 8.364 9.395 0.669 1.00 52.22 H new ATOM 0 HG23 VAL A 32 7.162 8.731 1.801 1.00 52.22 H new ATOM 505 N LEU A 33 4.897 6.523 -1.505 1.00 53.05 N ATOM 506 CA LEU A 33 4.299 5.595 -2.458 1.00 10.34 C ATOM 507 C LEU A 33 3.311 6.334 -3.365 1.00 35.30 C ATOM 508 O LEU A 33 3.346 6.189 -4.586 1.00 61.20 O ATOM 509 CB LEU A 33 3.599 4.462 -1.688 1.00 31.24 C ATOM 510 CG LEU A 33 3.288 3.182 -2.479 1.00 22.13 C ATOM 511 CD1 LEU A 33 2.945 2.048 -1.526 1.00 71.12 C ATOM 512 CD2 LEU A 33 2.142 3.401 -3.456 1.00 34.41 C ATOM 0 H LEU A 33 4.648 6.341 -0.533 1.00 53.05 H new ATOM 0 HA LEU A 33 5.076 5.165 -3.090 1.00 10.34 H new ATOM 0 HB2 LEU A 33 4.223 4.193 -0.836 1.00 31.24 H new ATOM 0 HB3 LEU A 33 2.663 4.850 -1.287 1.00 31.24 H new ATOM 0 HG LEU A 33 4.177 2.917 -3.051 1.00 22.13 H new ATOM 0 HD11 LEU A 33 2.726 1.146 -2.098 1.00 71.12 H new ATOM 0 HD12 LEU A 33 3.790 1.862 -0.863 1.00 71.12 H new ATOM 0 HD13 LEU A 33 2.072 2.322 -0.933 1.00 71.12 H new ATOM 0 HD21 LEU A 33 1.946 2.477 -4.000 1.00 34.41 H new ATOM 0 HD22 LEU A 33 1.247 3.695 -2.907 1.00 34.41 H new ATOM 0 HD23 LEU A 33 2.410 4.188 -4.161 1.00 34.41 H new ATOM 524 N PHE A 34 2.463 7.155 -2.757 1.00 24.42 N ATOM 525 CA PHE A 34 1.435 7.892 -3.483 1.00 24.32 C ATOM 526 C PHE A 34 2.061 8.856 -4.485 1.00 2.04 C ATOM 527 O PHE A 34 1.605 8.962 -5.623 1.00 24.05 O ATOM 528 CB PHE A 34 0.549 8.660 -2.494 1.00 74.20 C ATOM 529 CG PHE A 34 -0.603 9.386 -3.126 1.00 65.24 C ATOM 530 CD1 PHE A 34 -1.750 8.702 -3.498 1.00 1.21 C ATOM 531 CD2 PHE A 34 -0.546 10.756 -3.335 1.00 55.13 C ATOM 532 CE1 PHE A 34 -2.818 9.369 -4.066 1.00 73.24 C ATOM 533 CE2 PHE A 34 -1.610 11.428 -3.904 1.00 2.24 C ATOM 534 CZ PHE A 34 -2.747 10.735 -4.271 1.00 23.35 C ATOM 0 H PHE A 34 2.468 7.328 -1.752 1.00 24.42 H new ATOM 0 HA PHE A 34 0.823 7.178 -4.035 1.00 24.32 H new ATOM 0 HB2 PHE A 34 0.160 7.960 -1.755 1.00 74.20 H new ATOM 0 HB3 PHE A 34 1.166 9.381 -1.957 1.00 74.20 H new ATOM 0 HD1 PHE A 34 -1.809 7.635 -3.342 1.00 1.21 H new ATOM 0 HD2 PHE A 34 0.340 11.303 -3.050 1.00 55.13 H new ATOM 0 HE1 PHE A 34 -3.707 8.825 -4.349 1.00 73.24 H new ATOM 0 HE2 PHE A 34 -1.553 12.495 -4.062 1.00 2.24 H new ATOM 0 HZ PHE A 34 -3.579 11.259 -4.717 1.00 23.35 H new ATOM 544 N ARG A 35 3.111 9.543 -4.057 1.00 50.12 N ATOM 545 CA ARG A 35 3.797 10.503 -4.908 1.00 22.11 C ATOM 546 C ARG A 35 4.389 9.809 -6.129 1.00 5.45 C ATOM 547 O ARG A 35 4.267 10.294 -7.255 1.00 62.21 O ATOM 548 CB ARG A 35 4.901 11.201 -4.117 1.00 60.33 C ATOM 549 CG ARG A 35 5.575 12.341 -4.860 1.00 53.23 C ATOM 550 CD ARG A 35 6.713 12.921 -4.042 1.00 52.24 C ATOM 551 NE ARG A 35 7.294 14.113 -4.652 1.00 10.54 N ATOM 552 CZ ARG A 35 8.416 14.688 -4.227 1.00 10.43 C ATOM 553 NH1 ARG A 35 9.115 14.135 -3.245 1.00 1.31 N ATOM 554 NH2 ARG A 35 8.850 15.804 -4.792 1.00 72.43 N ATOM 0 H ARG A 35 3.507 9.452 -3.121 1.00 50.12 H new ATOM 0 HA ARG A 35 3.075 11.245 -5.249 1.00 22.11 H new ATOM 0 HB2 ARG A 35 4.479 11.587 -3.189 1.00 60.33 H new ATOM 0 HB3 ARG A 35 5.656 10.465 -3.842 1.00 60.33 H new ATOM 0 HG2 ARG A 35 5.955 11.983 -5.817 1.00 53.23 H new ATOM 0 HG3 ARG A 35 4.845 13.120 -5.079 1.00 53.23 H new ATOM 0 HD2 ARG A 35 6.349 13.169 -3.045 1.00 52.24 H new ATOM 0 HD3 ARG A 35 7.489 12.165 -3.919 1.00 52.24 H new ATOM 0 HE ARG A 35 6.813 14.529 -5.449 1.00 10.54 H new ATOM 0 HH11 ARG A 35 8.793 13.268 -2.815 1.00 1.31 H new ATOM 0 HH12 ARG A 35 9.975 14.577 -2.920 1.00 1.31 H new ATOM 0 HH21 ARG A 35 8.324 16.227 -5.557 1.00 72.43 H new ATOM 0 HH22 ARG A 35 9.711 16.241 -4.463 1.00 72.43 H new ATOM 568 N ASP A 36 5.017 8.663 -5.904 1.00 34.45 N ATOM 569 CA ASP A 36 5.662 7.933 -6.983 1.00 15.12 C ATOM 570 C ASP A 36 4.610 7.342 -7.914 1.00 61.12 C ATOM 571 O ASP A 36 4.764 7.372 -9.137 1.00 23.04 O ATOM 572 CB ASP A 36 6.562 6.830 -6.431 1.00 22.22 C ATOM 573 CG ASP A 36 7.727 6.529 -7.352 1.00 22.15 C ATOM 574 OD1 ASP A 36 7.540 5.800 -8.346 1.00 35.35 O ATOM 575 OD2 ASP A 36 8.841 7.034 -7.086 1.00 74.20 O ATOM 0 H ASP A 36 5.093 8.221 -4.988 1.00 34.45 H new ATOM 0 HA ASP A 36 6.284 8.628 -7.546 1.00 15.12 H new ATOM 0 HB2 ASP A 36 6.941 7.128 -5.453 1.00 22.22 H new ATOM 0 HB3 ASP A 36 5.975 5.924 -6.283 1.00 22.22 H new ATOM 580 N ASP A 37 3.530 6.825 -7.327 1.00 1.55 N ATOM 581 CA ASP A 37 2.407 6.308 -8.107 1.00 43.12 C ATOM 582 C ASP A 37 1.812 7.389 -8.987 1.00 23.43 C ATOM 583 O ASP A 37 1.639 7.188 -10.174 1.00 54.51 O ATOM 584 CB ASP A 37 1.311 5.727 -7.210 1.00 25.33 C ATOM 585 CG ASP A 37 -0.024 5.630 -7.936 1.00 64.23 C ATOM 586 OD1 ASP A 37 -0.154 4.788 -8.853 1.00 11.52 O ATOM 587 OD2 ASP A 37 -0.937 6.420 -7.606 1.00 55.44 O ATOM 0 H ASP A 37 3.410 6.754 -6.317 1.00 1.55 H new ATOM 0 HA ASP A 37 2.803 5.509 -8.734 1.00 43.12 H new ATOM 0 HB2 ASP A 37 1.610 4.737 -6.866 1.00 25.33 H new ATOM 0 HB3 ASP A 37 1.198 6.352 -6.324 1.00 25.33 H new ATOM 592 N LYS A 38 1.527 8.546 -8.417 1.00 21.24 N ATOM 593 CA LYS A 38 0.923 9.636 -9.175 1.00 60.24 C ATOM 594 C LYS A 38 1.852 10.144 -10.274 1.00 22.05 C ATOM 595 O LYS A 38 1.427 10.866 -11.173 1.00 70.32 O ATOM 596 CB LYS A 38 0.500 10.761 -8.237 1.00 65.25 C ATOM 597 CG LYS A 38 -0.747 10.411 -7.446 1.00 4.52 C ATOM 598 CD LYS A 38 -1.967 10.335 -8.352 1.00 41.43 C ATOM 599 CE LYS A 38 -3.095 9.537 -7.720 1.00 40.41 C ATOM 600 NZ LYS A 38 -2.908 8.068 -7.884 1.00 41.21 N ATOM 0 H LYS A 38 1.702 8.758 -7.435 1.00 21.24 H new ATOM 0 HA LYS A 38 0.032 9.250 -9.671 1.00 60.24 H new ATOM 0 HB2 LYS A 38 1.315 10.982 -7.548 1.00 65.25 H new ATOM 0 HB3 LYS A 38 0.318 11.666 -8.817 1.00 65.25 H new ATOM 0 HG2 LYS A 38 -0.605 9.455 -6.941 1.00 4.52 H new ATOM 0 HG3 LYS A 38 -0.912 11.159 -6.671 1.00 4.52 H new ATOM 0 HD2 LYS A 38 -2.317 11.343 -8.575 1.00 41.43 H new ATOM 0 HD3 LYS A 38 -1.686 9.878 -9.301 1.00 41.43 H new ATOM 0 HE2 LYS A 38 -3.157 9.777 -6.659 1.00 40.41 H new ATOM 0 HE3 LYS A 38 -4.043 9.833 -8.169 1.00 40.41 H new ATOM 0 HZ1 LYS A 38 -3.544 7.562 -7.235 1.00 41.21 H new ATOM 0 HZ2 LYS A 38 -3.127 7.798 -8.864 1.00 41.21 H new ATOM 0 HZ3 LYS A 38 -1.922 7.817 -7.667 1.00 41.21 H new ATOM 614 N SER A 39 3.115 9.752 -10.207 1.00 24.02 N ATOM 615 CA SER A 39 4.079 10.103 -11.240 1.00 74.22 C ATOM 616 C SER A 39 4.059 9.078 -12.386 1.00 1.43 C ATOM 617 O SER A 39 4.566 9.345 -13.472 1.00 60.21 O ATOM 618 CB SER A 39 5.485 10.188 -10.640 1.00 15.31 C ATOM 619 OG SER A 39 5.507 11.057 -9.517 1.00 33.24 O ATOM 0 H SER A 39 3.497 9.190 -9.447 1.00 24.02 H new ATOM 0 HA SER A 39 3.801 11.076 -11.646 1.00 74.22 H new ATOM 0 HB2 SER A 39 5.818 9.194 -10.342 1.00 15.31 H new ATOM 0 HB3 SER A 39 6.185 10.545 -11.395 1.00 15.31 H new ATOM 0 HG SER A 39 5.030 10.639 -8.770 1.00 33.24 H new ATOM 625 N ALA A 40 3.470 7.909 -12.138 1.00 71.21 N ATOM 626 CA ALA A 40 3.452 6.832 -13.132 1.00 22.33 C ATOM 627 C ALA A 40 2.026 6.433 -13.511 1.00 15.14 C ATOM 628 O ALA A 40 1.761 6.047 -14.648 1.00 1.24 O ATOM 629 CB ALA A 40 4.207 5.625 -12.597 1.00 22.52 C ATOM 0 H ALA A 40 3.000 7.682 -11.262 1.00 71.21 H new ATOM 0 HA ALA A 40 3.941 7.201 -14.034 1.00 22.33 H new ATOM 0 HB1 ALA A 40 4.191 4.827 -13.340 1.00 22.52 H new ATOM 0 HB2 ALA A 40 5.239 5.905 -12.388 1.00 22.52 H new ATOM 0 HB3 ALA A 40 3.733 5.276 -11.680 1.00 22.52 H new ATOM 635 N ASN A 41 1.124 6.538 -12.537 1.00 44.10 N ATOM 636 CA ASN A 41 -0.277 6.135 -12.677 1.00 50.21 C ATOM 637 C ASN A 41 -0.385 4.619 -12.695 1.00 21.22 C ATOM 638 O ASN A 41 -0.910 4.023 -13.637 1.00 24.23 O ATOM 639 CB ASN A 41 -0.931 6.752 -13.920 1.00 64.45 C ATOM 640 CG ASN A 41 -1.227 8.233 -13.754 1.00 42.42 C ATOM 641 OD1 ASN A 41 -0.475 8.905 -12.892 1.00 70.02 O flip ATOM 642 ND2 ASN A 41 -2.134 8.769 -14.390 1.00 20.02 N flip ATOM 0 H ASN A 41 1.348 6.911 -11.614 1.00 44.10 H new ATOM 0 HA ASN A 41 -0.823 6.515 -11.814 1.00 50.21 H new ATOM 0 HB2 ASN A 41 -0.274 6.611 -14.779 1.00 64.45 H new ATOM 0 HB3 ASN A 41 -1.859 6.223 -14.138 1.00 64.45 H new ATOM 0 HD21 ASN A 41 -2.692 8.220 -15.044 1.00 20.02 H new ATOM 0 HD22 ASN A 41 -2.328 9.762 -14.263 1.00 20.02 H new ATOM 649 N LEU A 42 0.142 4.005 -11.642 1.00 13.12 N ATOM 650 CA LEU A 42 0.141 2.556 -11.513 1.00 21.42 C ATOM 651 C LEU A 42 -1.194 2.068 -10.977 1.00 61.20 C ATOM 652 O LEU A 42 -1.813 1.173 -11.550 1.00 61.42 O ATOM 653 CB LEU A 42 1.267 2.113 -10.577 1.00 63.10 C ATOM 654 CG LEU A 42 2.662 2.599 -10.972 1.00 41.41 C ATOM 655 CD1 LEU A 42 3.692 2.150 -9.950 1.00 4.51 C ATOM 656 CD2 LEU A 42 3.036 2.102 -12.361 1.00 62.03 C ATOM 0 H LEU A 42 0.578 4.494 -10.861 1.00 13.12 H new ATOM 0 HA LEU A 42 0.301 2.122 -12.500 1.00 21.42 H new ATOM 0 HB2 LEU A 42 1.045 2.470 -9.571 1.00 63.10 H new ATOM 0 HB3 LEU A 42 1.276 1.024 -10.534 1.00 63.10 H new ATOM 0 HG LEU A 42 2.649 3.689 -10.993 1.00 41.41 H new ATOM 0 HD11 LEU A 42 4.679 2.505 -10.248 1.00 4.51 H new ATOM 0 HD12 LEU A 42 3.438 2.561 -8.973 1.00 4.51 H new ATOM 0 HD13 LEU A 42 3.699 1.061 -9.895 1.00 4.51 H new ATOM 0 HD21 LEU A 42 4.032 2.461 -12.620 1.00 62.03 H new ATOM 0 HD22 LEU A 42 3.028 1.012 -12.372 1.00 62.03 H new ATOM 0 HD23 LEU A 42 2.315 2.477 -13.088 1.00 62.03 H new ATOM 668 N PHE A 43 -1.645 2.688 -9.896 1.00 33.12 N ATOM 669 CA PHE A 43 -2.874 2.276 -9.237 1.00 51.24 C ATOM 670 C PHE A 43 -4.063 3.056 -9.769 1.00 72.43 C ATOM 671 O PHE A 43 -4.060 4.291 -9.771 1.00 41.11 O ATOM 672 CB PHE A 43 -2.770 2.484 -7.727 1.00 43.21 C ATOM 673 CG PHE A 43 -1.644 1.731 -7.088 1.00 63.44 C ATOM 674 CD1 PHE A 43 -1.688 0.353 -6.989 1.00 15.03 C ATOM 675 CD2 PHE A 43 -0.551 2.402 -6.572 1.00 53.24 C ATOM 676 CE1 PHE A 43 -0.660 -0.343 -6.390 1.00 54.33 C ATOM 677 CE2 PHE A 43 0.483 1.711 -5.973 1.00 22.11 C ATOM 678 CZ PHE A 43 0.427 0.336 -5.881 1.00 35.32 C ATOM 0 H PHE A 43 -1.176 3.480 -9.456 1.00 33.12 H new ATOM 0 HA PHE A 43 -3.022 1.217 -9.447 1.00 51.24 H new ATOM 0 HB2 PHE A 43 -2.644 3.548 -7.524 1.00 43.21 H new ATOM 0 HB3 PHE A 43 -3.708 2.179 -7.262 1.00 43.21 H new ATOM 0 HD1 PHE A 43 -2.537 -0.184 -7.385 1.00 15.03 H new ATOM 0 HD2 PHE A 43 -0.506 3.479 -6.638 1.00 53.24 H new ATOM 0 HE1 PHE A 43 -0.706 -1.420 -6.319 1.00 54.33 H new ATOM 0 HE2 PHE A 43 1.334 2.246 -5.577 1.00 22.11 H new ATOM 0 HZ PHE A 43 1.233 -0.208 -5.411 1.00 35.32 H new ATOM 688 N GLU A 44 -5.075 2.338 -10.233 1.00 4.22 N ATOM 689 CA GLU A 44 -6.310 2.970 -10.666 1.00 52.13 C ATOM 690 C GLU A 44 -7.043 3.488 -9.433 1.00 41.44 C ATOM 691 O GLU A 44 -7.377 4.672 -9.337 1.00 63.32 O ATOM 692 CB GLU A 44 -7.180 1.972 -11.442 1.00 64.44 C ATOM 693 CG GLU A 44 -8.092 2.609 -12.486 1.00 24.13 C ATOM 694 CD GLU A 44 -9.088 3.590 -11.903 1.00 52.23 C ATOM 695 OE1 GLU A 44 -10.048 3.147 -11.237 1.00 12.33 O ATOM 696 OE2 GLU A 44 -8.927 4.811 -12.118 1.00 71.15 O ATOM 0 H GLU A 44 -5.065 1.322 -10.319 1.00 4.22 H new ATOM 0 HA GLU A 44 -6.090 3.801 -11.336 1.00 52.13 H new ATOM 0 HB2 GLU A 44 -6.530 1.250 -11.937 1.00 64.44 H new ATOM 0 HB3 GLU A 44 -7.793 1.415 -10.733 1.00 64.44 H new ATOM 0 HG2 GLU A 44 -7.479 3.123 -13.227 1.00 24.13 H new ATOM 0 HG3 GLU A 44 -8.634 1.823 -13.011 1.00 24.13 H new ATOM 703 N ALA A 45 -7.253 2.596 -8.475 1.00 12.43 N ATOM 704 CA ALA A 45 -7.873 2.956 -7.213 1.00 71.54 C ATOM 705 C ALA A 45 -6.963 2.576 -6.050 1.00 13.34 C ATOM 706 O ALA A 45 -7.104 1.503 -5.464 1.00 14.34 O ATOM 707 CB ALA A 45 -9.234 2.288 -7.072 1.00 3.11 C ATOM 0 H ALA A 45 -7.000 1.611 -8.552 1.00 12.43 H new ATOM 0 HA ALA A 45 -8.023 4.035 -7.197 1.00 71.54 H new ATOM 0 HB1 ALA A 45 -9.681 2.571 -6.119 1.00 3.11 H new ATOM 0 HB2 ALA A 45 -9.883 2.609 -7.887 1.00 3.11 H new ATOM 0 HB3 ALA A 45 -9.113 1.205 -7.109 1.00 3.11 H new ATOM 713 N LEU A 46 -6.027 3.460 -5.727 1.00 42.33 N ATOM 714 CA LEU A 46 -5.052 3.203 -4.674 1.00 72.53 C ATOM 715 C LEU A 46 -5.759 3.035 -3.331 1.00 4.32 C ATOM 716 O LEU A 46 -5.475 2.101 -2.583 1.00 65.24 O ATOM 717 CB LEU A 46 -4.041 4.357 -4.605 1.00 61.34 C ATOM 718 CG LEU A 46 -2.617 3.978 -4.169 1.00 61.15 C ATOM 719 CD1 LEU A 46 -1.689 5.172 -4.300 1.00 74.53 C ATOM 720 CD2 LEU A 46 -2.591 3.454 -2.740 1.00 25.35 C ATOM 0 H LEU A 46 -5.922 4.367 -6.182 1.00 42.33 H new ATOM 0 HA LEU A 46 -4.518 2.281 -4.902 1.00 72.53 H new ATOM 0 HB2 LEU A 46 -3.986 4.826 -5.588 1.00 61.34 H new ATOM 0 HB3 LEU A 46 -4.424 5.108 -3.914 1.00 61.34 H new ATOM 0 HG LEU A 46 -2.272 3.181 -4.827 1.00 61.15 H new ATOM 0 HD11 LEU A 46 -0.684 4.888 -3.987 1.00 74.53 H new ATOM 0 HD12 LEU A 46 -1.666 5.503 -5.338 1.00 74.53 H new ATOM 0 HD13 LEU A 46 -2.049 5.984 -3.668 1.00 74.53 H new ATOM 0 HD21 LEU A 46 -1.568 3.196 -2.466 1.00 25.35 H new ATOM 0 HD22 LEU A 46 -2.965 4.223 -2.064 1.00 25.35 H new ATOM 0 HD23 LEU A 46 -3.221 2.568 -2.666 1.00 25.35 H new ATOM 732 N VAL A 47 -6.698 3.931 -3.045 1.00 42.12 N ATOM 733 CA VAL A 47 -7.436 3.895 -1.784 1.00 34.13 C ATOM 734 C VAL A 47 -8.231 2.597 -1.657 1.00 23.24 C ATOM 735 O VAL A 47 -8.257 1.971 -0.594 1.00 40.15 O ATOM 736 CB VAL A 47 -8.390 5.104 -1.656 1.00 4.13 C ATOM 737 CG1 VAL A 47 -9.121 5.083 -0.320 1.00 42.01 C ATOM 738 CG2 VAL A 47 -7.621 6.405 -1.821 1.00 55.42 C ATOM 0 H VAL A 47 -6.967 4.692 -3.669 1.00 42.12 H new ATOM 0 HA VAL A 47 -6.704 3.945 -0.978 1.00 34.13 H new ATOM 0 HB VAL A 47 -9.134 5.035 -2.449 1.00 4.13 H new ATOM 0 HG11 VAL A 47 -9.786 5.944 -0.255 1.00 42.01 H new ATOM 0 HG12 VAL A 47 -9.706 4.167 -0.239 1.00 42.01 H new ATOM 0 HG13 VAL A 47 -8.395 5.123 0.492 1.00 42.01 H new ATOM 0 HG21 VAL A 47 -8.307 7.247 -1.728 1.00 55.42 H new ATOM 0 HG22 VAL A 47 -6.854 6.475 -1.049 1.00 55.42 H new ATOM 0 HG23 VAL A 47 -7.150 6.427 -2.804 1.00 55.42 H new ATOM 748 N GLY A 48 -8.858 2.187 -2.753 1.00 22.22 N ATOM 749 CA GLY A 48 -9.605 0.944 -2.761 1.00 62.24 C ATOM 750 C GLY A 48 -8.697 -0.256 -2.579 1.00 75.43 C ATOM 751 O GLY A 48 -9.066 -1.235 -1.926 1.00 43.12 O ATOM 0 H GLY A 48 -8.862 2.694 -3.638 1.00 22.22 H new ATOM 0 HA2 GLY A 48 -10.349 0.961 -1.965 1.00 62.24 H new ATOM 0 HA3 GLY A 48 -10.147 0.851 -3.702 1.00 62.24 H new ATOM 755 N THR A 49 -7.502 -0.165 -3.150 1.00 4.44 N ATOM 756 CA THR A 49 -6.501 -1.211 -3.031 1.00 41.40 C ATOM 757 C THR A 49 -6.015 -1.334 -1.586 1.00 65.32 C ATOM 758 O THR A 49 -5.801 -2.439 -1.082 1.00 1.22 O ATOM 759 CB THR A 49 -5.311 -0.921 -3.967 1.00 73.33 C ATOM 760 OG1 THR A 49 -5.773 -0.808 -5.316 1.00 15.52 O ATOM 761 CG2 THR A 49 -4.262 -2.011 -3.889 1.00 32.34 C ATOM 0 H THR A 49 -7.203 0.635 -3.707 1.00 4.44 H new ATOM 0 HA THR A 49 -6.959 -2.156 -3.323 1.00 41.40 H new ATOM 0 HB THR A 49 -4.856 0.016 -3.645 1.00 73.33 H new ATOM 0 HG1 THR A 49 -6.272 0.029 -5.422 1.00 15.52 H new ATOM 0 HG21 THR A 49 -3.439 -1.772 -4.562 1.00 32.34 H new ATOM 0 HG22 THR A 49 -3.887 -2.083 -2.868 1.00 32.34 H new ATOM 0 HG23 THR A 49 -4.705 -2.963 -4.181 1.00 32.34 H new ATOM 769 N LEU A 50 -5.859 -0.190 -0.921 1.00 51.12 N ATOM 770 CA LEU A 50 -5.473 -0.163 0.484 1.00 20.22 C ATOM 771 C LEU A 50 -6.469 -0.942 1.327 1.00 25.44 C ATOM 772 O LEU A 50 -6.084 -1.781 2.138 1.00 22.43 O ATOM 773 CB LEU A 50 -5.381 1.276 0.993 1.00 63.04 C ATOM 774 CG LEU A 50 -4.255 2.113 0.394 1.00 23.33 C ATOM 775 CD1 LEU A 50 -4.325 3.538 0.915 1.00 11.13 C ATOM 776 CD2 LEU A 50 -2.902 1.493 0.710 1.00 3.31 C ATOM 0 H LEU A 50 -5.995 0.731 -1.337 1.00 51.12 H new ATOM 0 HA LEU A 50 -4.492 -0.630 0.571 1.00 20.22 H new ATOM 0 HB2 LEU A 50 -6.329 1.776 0.791 1.00 63.04 H new ATOM 0 HB3 LEU A 50 -5.257 1.253 2.076 1.00 63.04 H new ATOM 0 HG LEU A 50 -4.376 2.134 -0.689 1.00 23.33 H new ATOM 0 HD11 LEU A 50 -3.516 4.125 0.480 1.00 11.13 H new ATOM 0 HD12 LEU A 50 -5.283 3.980 0.639 1.00 11.13 H new ATOM 0 HD13 LEU A 50 -4.227 3.534 2.001 1.00 11.13 H new ATOM 0 HD21 LEU A 50 -2.111 2.104 0.275 1.00 3.31 H new ATOM 0 HD22 LEU A 50 -2.768 1.443 1.791 1.00 3.31 H new ATOM 0 HD23 LEU A 50 -2.856 0.488 0.291 1.00 3.31 H new ATOM 788 N LYS A 51 -7.753 -0.666 1.124 1.00 3.12 N ATOM 789 CA LYS A 51 -8.805 -1.369 1.846 1.00 15.11 C ATOM 790 C LYS A 51 -8.784 -2.853 1.525 1.00 61.34 C ATOM 791 O LYS A 51 -8.902 -3.685 2.416 1.00 52.33 O ATOM 792 CB LYS A 51 -10.179 -0.791 1.513 1.00 40.43 C ATOM 793 CG LYS A 51 -10.609 0.355 2.412 1.00 22.53 C ATOM 794 CD LYS A 51 -9.716 1.575 2.257 1.00 12.24 C ATOM 795 CE LYS A 51 -10.163 2.708 3.165 1.00 51.41 C ATOM 796 NZ LYS A 51 -11.584 3.076 2.931 1.00 52.32 N ATOM 0 H LYS A 51 -8.089 0.038 0.467 1.00 3.12 H new ATOM 0 HA LYS A 51 -8.617 -1.235 2.911 1.00 15.11 H new ATOM 0 HB2 LYS A 51 -10.174 -0.444 0.480 1.00 40.43 H new ATOM 0 HB3 LYS A 51 -10.921 -1.587 1.579 1.00 40.43 H new ATOM 0 HG2 LYS A 51 -11.638 0.629 2.181 1.00 22.53 H new ATOM 0 HG3 LYS A 51 -10.593 0.025 3.451 1.00 22.53 H new ATOM 0 HD2 LYS A 51 -8.686 1.305 2.489 1.00 12.24 H new ATOM 0 HD3 LYS A 51 -9.732 1.910 1.220 1.00 12.24 H new ATOM 0 HE2 LYS A 51 -10.031 2.413 4.206 1.00 51.41 H new ATOM 0 HE3 LYS A 51 -9.530 3.579 2.998 1.00 51.41 H new ATOM 0 HZ1 LYS A 51 -11.785 3.990 3.385 1.00 52.32 H new ATOM 0 HZ2 LYS A 51 -11.759 3.151 1.909 1.00 52.32 H new ATOM 0 HZ3 LYS A 51 -12.203 2.345 3.335 1.00 52.32 H new ATOM 810 N ALA A 52 -8.628 -3.171 0.250 1.00 72.31 N ATOM 811 CA ALA A 52 -8.584 -4.557 -0.203 1.00 40.21 C ATOM 812 C ALA A 52 -7.481 -5.345 0.501 1.00 33.34 C ATOM 813 O ALA A 52 -7.711 -6.446 1.003 1.00 30.40 O ATOM 814 CB ALA A 52 -8.383 -4.601 -1.708 1.00 1.52 C ATOM 0 H ALA A 52 -8.529 -2.484 -0.497 1.00 72.31 H new ATOM 0 HA ALA A 52 -9.535 -5.025 0.050 1.00 40.21 H new ATOM 0 HB1 ALA A 52 -8.351 -5.639 -2.041 1.00 1.52 H new ATOM 0 HB2 ALA A 52 -9.209 -4.087 -2.201 1.00 1.52 H new ATOM 0 HB3 ALA A 52 -7.445 -4.109 -1.964 1.00 1.52 H new ATOM 820 N ALA A 53 -6.287 -4.770 0.545 1.00 63.23 N ATOM 821 CA ALA A 53 -5.148 -5.418 1.182 1.00 33.33 C ATOM 822 C ALA A 53 -5.261 -5.373 2.701 1.00 43.53 C ATOM 823 O ALA A 53 -4.695 -6.217 3.390 1.00 71.14 O ATOM 824 CB ALA A 53 -3.850 -4.778 0.723 1.00 62.35 C ATOM 0 H ALA A 53 -6.081 -3.854 0.146 1.00 63.23 H new ATOM 0 HA ALA A 53 -5.147 -6.466 0.881 1.00 33.33 H new ATOM 0 HB1 ALA A 53 -3.009 -5.273 1.208 1.00 62.35 H new ATOM 0 HB2 ALA A 53 -3.757 -4.879 -0.358 1.00 62.35 H new ATOM 0 HB3 ALA A 53 -3.851 -3.721 0.989 1.00 62.35 H new ATOM 830 N LYS A 54 -5.971 -4.384 3.228 1.00 25.23 N ATOM 831 CA LYS A 54 -6.193 -4.307 4.665 1.00 33.54 C ATOM 832 C LYS A 54 -7.246 -5.333 5.084 1.00 45.03 C ATOM 833 O LYS A 54 -7.173 -5.900 6.172 1.00 60.10 O ATOM 834 CB LYS A 54 -6.613 -2.892 5.082 1.00 12.31 C ATOM 835 CG LYS A 54 -6.572 -2.669 6.585 1.00 25.11 C ATOM 836 CD LYS A 54 -6.772 -1.203 6.946 1.00 22.31 C ATOM 837 CE LYS A 54 -6.634 -0.985 8.444 1.00 41.53 C ATOM 838 NZ LYS A 54 -6.709 0.454 8.816 1.00 72.44 N ATOM 0 H LYS A 54 -6.399 -3.632 2.688 1.00 25.23 H new ATOM 0 HA LYS A 54 -5.257 -4.536 5.174 1.00 33.54 H new ATOM 0 HB2 LYS A 54 -5.958 -2.169 4.597 1.00 12.31 H new ATOM 0 HB3 LYS A 54 -7.623 -2.700 4.721 1.00 12.31 H new ATOM 0 HG2 LYS A 54 -7.346 -3.270 7.063 1.00 25.11 H new ATOM 0 HG3 LYS A 54 -5.615 -3.012 6.977 1.00 25.11 H new ATOM 0 HD2 LYS A 54 -6.040 -0.592 6.417 1.00 22.31 H new ATOM 0 HD3 LYS A 54 -7.758 -0.875 6.617 1.00 22.31 H new ATOM 0 HE2 LYS A 54 -7.421 -1.533 8.962 1.00 41.53 H new ATOM 0 HE3 LYS A 54 -5.683 -1.396 8.782 1.00 41.53 H new ATOM 0 HZ1 LYS A 54 -6.882 0.540 9.838 1.00 72.44 H new ATOM 0 HZ2 LYS A 54 -5.811 0.922 8.577 1.00 72.44 H new ATOM 0 HZ3 LYS A 54 -7.486 0.908 8.294 1.00 72.44 H new ATOM 852 N ARG A 55 -8.209 -5.587 4.199 1.00 65.54 N ATOM 853 CA ARG A 55 -9.221 -6.614 4.441 1.00 23.42 C ATOM 854 C ARG A 55 -8.600 -8.004 4.370 1.00 45.33 C ATOM 855 O ARG A 55 -9.060 -8.933 5.031 1.00 35.13 O ATOM 856 CB ARG A 55 -10.371 -6.524 3.433 1.00 50.32 C ATOM 857 CG ARG A 55 -11.235 -5.281 3.576 1.00 22.34 C ATOM 858 CD ARG A 55 -12.467 -5.364 2.684 1.00 55.21 C ATOM 859 NE ARG A 55 -13.298 -4.161 2.765 1.00 14.51 N ATOM 860 CZ ARG A 55 -14.343 -4.028 3.584 1.00 64.43 C ATOM 861 NH1 ARG A 55 -14.660 -5.005 4.426 1.00 35.21 N ATOM 862 NH2 ARG A 55 -15.069 -2.917 3.557 1.00 24.41 N ATOM 0 H ARG A 55 -8.310 -5.097 3.310 1.00 65.54 H new ATOM 0 HA ARG A 55 -9.622 -6.441 5.440 1.00 23.42 H new ATOM 0 HB2 ARG A 55 -9.957 -6.550 2.425 1.00 50.32 H new ATOM 0 HB3 ARG A 55 -11.003 -7.405 3.541 1.00 50.32 H new ATOM 0 HG2 ARG A 55 -11.542 -5.165 4.615 1.00 22.34 H new ATOM 0 HG3 ARG A 55 -10.652 -4.397 3.315 1.00 22.34 H new ATOM 0 HD2 ARG A 55 -12.154 -5.517 1.651 1.00 55.21 H new ATOM 0 HD3 ARG A 55 -13.061 -6.232 2.970 1.00 55.21 H new ATOM 0 HE ARG A 55 -13.063 -3.376 2.158 1.00 14.51 H new ATOM 0 HH11 ARG A 55 -14.104 -5.860 4.448 1.00 35.21 H new ATOM 0 HH12 ARG A 55 -15.459 -4.900 5.051 1.00 35.21 H new ATOM 0 HH21 ARG A 55 -14.828 -2.166 2.911 1.00 24.41 H new ATOM 0 HH22 ARG A 55 -15.868 -2.815 4.183 1.00 24.41 H new ATOM 876 N ARG A 56 -7.556 -8.141 3.560 1.00 63.13 N ATOM 877 CA ARG A 56 -6.830 -9.402 3.464 1.00 4.10 C ATOM 878 C ARG A 56 -5.781 -9.504 4.563 1.00 14.11 C ATOM 879 O ARG A 56 -5.120 -10.536 4.706 1.00 24.41 O ATOM 880 CB ARG A 56 -6.130 -9.546 2.113 1.00 3.10 C ATOM 881 CG ARG A 56 -7.037 -9.853 0.937 1.00 3.11 C ATOM 882 CD ARG A 56 -6.207 -10.198 -0.292 1.00 1.32 C ATOM 883 NE ARG A 56 -7.028 -10.477 -1.468 1.00 31.14 N ATOM 884 CZ ARG A 56 -6.548 -10.550 -2.713 1.00 70.41 C ATOM 885 NH1 ARG A 56 -5.252 -10.377 -2.949 1.00 5.51 N ATOM 886 NH2 ARG A 56 -7.361 -10.810 -3.723 1.00 74.55 N ATOM 0 H ARG A 56 -7.195 -7.398 2.963 1.00 63.13 H new ATOM 0 HA ARG A 56 -7.565 -10.199 3.573 1.00 4.10 H new ATOM 0 HB2 ARG A 56 -5.591 -8.622 1.902 1.00 3.10 H new ATOM 0 HB3 ARG A 56 -5.386 -10.338 2.192 1.00 3.10 H new ATOM 0 HG2 ARG A 56 -7.696 -10.685 1.185 1.00 3.11 H new ATOM 0 HG3 ARG A 56 -7.673 -8.994 0.725 1.00 3.11 H new ATOM 0 HD2 ARG A 56 -5.532 -9.371 -0.513 1.00 1.32 H new ATOM 0 HD3 ARG A 56 -5.586 -11.067 -0.073 1.00 1.32 H new ATOM 0 HE ARG A 56 -8.028 -10.625 -1.330 1.00 31.14 H new ATOM 0 HH11 ARG A 56 -4.614 -10.187 -2.176 1.00 5.51 H new ATOM 0 HH12 ARG A 56 -4.895 -10.435 -3.903 1.00 5.51 H new ATOM 0 HH21 ARG A 56 -8.356 -10.955 -3.552 1.00 74.55 H new ATOM 0 HH22 ARG A 56 -6.993 -10.865 -4.673 1.00 74.55 H new ATOM 900 N LYS A 57 -5.633 -8.423 5.330 1.00 62.14 N ATOM 901 CA LYS A 57 -4.619 -8.340 6.374 1.00 31.34 C ATOM 902 C LYS A 57 -3.223 -8.497 5.776 1.00 64.11 C ATOM 903 O LYS A 57 -2.314 -9.045 6.401 1.00 71.23 O ATOM 904 CB LYS A 57 -4.898 -9.391 7.450 1.00 51.34 C ATOM 905 CG LYS A 57 -6.232 -9.171 8.143 1.00 34.32 C ATOM 906 CD LYS A 57 -6.767 -10.451 8.752 1.00 40.33 C ATOM 907 CE LYS A 57 -8.141 -10.240 9.366 1.00 43.21 C ATOM 908 NZ LYS A 57 -8.741 -11.516 9.835 1.00 73.23 N ATOM 0 H LYS A 57 -6.210 -7.587 5.244 1.00 62.14 H new ATOM 0 HA LYS A 57 -4.661 -7.357 6.843 1.00 31.34 H new ATOM 0 HB2 LYS A 57 -4.886 -10.382 6.997 1.00 51.34 H new ATOM 0 HB3 LYS A 57 -4.099 -9.369 8.191 1.00 51.34 H new ATOM 0 HG2 LYS A 57 -6.117 -8.418 8.923 1.00 34.32 H new ATOM 0 HG3 LYS A 57 -6.954 -8.780 7.426 1.00 34.32 H new ATOM 0 HD2 LYS A 57 -6.824 -11.224 7.986 1.00 40.33 H new ATOM 0 HD3 LYS A 57 -6.076 -10.809 9.516 1.00 40.33 H new ATOM 0 HE2 LYS A 57 -8.062 -9.547 10.203 1.00 43.21 H new ATOM 0 HE3 LYS A 57 -8.800 -9.778 8.631 1.00 43.21 H new ATOM 0 HZ1 LYS A 57 -9.677 -11.329 10.247 1.00 73.23 H new ATOM 0 HZ2 LYS A 57 -8.841 -12.169 9.032 1.00 73.23 H new ATOM 0 HZ3 LYS A 57 -8.125 -11.945 10.555 1.00 73.23 H new ATOM 922 N ILE A 58 -3.073 -8.001 4.549 1.00 1.15 N ATOM 923 CA ILE A 58 -1.787 -7.969 3.870 1.00 15.52 C ATOM 924 C ILE A 58 -0.972 -6.812 4.415 1.00 32.30 C ATOM 925 O ILE A 58 0.208 -6.951 4.714 1.00 2.40 O ATOM 926 CB ILE A 58 -1.928 -7.758 2.345 1.00 42.50 C ATOM 927 CG1 ILE A 58 -2.970 -8.700 1.739 1.00 55.13 C ATOM 928 CG2 ILE A 58 -0.583 -7.951 1.659 1.00 52.54 C ATOM 929 CD1 ILE A 58 -2.622 -10.164 1.849 1.00 73.41 C ATOM 0 H ILE A 58 -3.841 -7.612 4.002 1.00 1.15 H new ATOM 0 HA ILE A 58 -1.307 -8.932 4.046 1.00 15.52 H new ATOM 0 HB ILE A 58 -2.270 -6.736 2.183 1.00 42.50 H new ATOM 0 HG12 ILE A 58 -3.928 -8.528 2.231 1.00 55.13 H new ATOM 0 HG13 ILE A 58 -3.102 -8.448 0.687 1.00 55.13 H new ATOM 0 HG21 ILE A 58 -0.697 -7.800 0.586 1.00 52.54 H new ATOM 0 HG22 ILE A 58 0.133 -7.230 2.053 1.00 52.54 H new ATOM 0 HG23 ILE A 58 -0.221 -8.962 1.846 1.00 52.54 H new ATOM 0 HD11 ILE A 58 -3.413 -10.761 1.395 1.00 73.41 H new ATOM 0 HD12 ILE A 58 -1.682 -10.354 1.332 1.00 73.41 H new ATOM 0 HD13 ILE A 58 -2.520 -10.436 2.900 1.00 73.41 H new ATOM 941 N VAL A 59 -1.627 -5.667 4.537 1.00 20.41 N ATOM 942 CA VAL A 59 -0.977 -4.461 5.024 1.00 24.13 C ATOM 943 C VAL A 59 -1.821 -3.803 6.103 1.00 1.35 C ATOM 944 O VAL A 59 -3.008 -4.105 6.246 1.00 33.11 O ATOM 945 CB VAL A 59 -0.729 -3.435 3.893 1.00 43.02 C ATOM 946 CG1 VAL A 59 0.178 -4.017 2.820 1.00 11.30 C ATOM 947 CG2 VAL A 59 -2.046 -2.969 3.288 1.00 14.25 C ATOM 0 H VAL A 59 -2.613 -5.548 4.304 1.00 20.41 H new ATOM 0 HA VAL A 59 -0.013 -4.766 5.431 1.00 24.13 H new ATOM 0 HB VAL A 59 -0.228 -2.570 4.328 1.00 43.02 H new ATOM 0 HG11 VAL A 59 0.337 -3.276 2.037 1.00 11.30 H new ATOM 0 HG12 VAL A 59 1.137 -4.289 3.262 1.00 11.30 H new ATOM 0 HG13 VAL A 59 -0.288 -4.904 2.391 1.00 11.30 H new ATOM 0 HG21 VAL A 59 -1.847 -2.248 2.495 1.00 14.25 H new ATOM 0 HG22 VAL A 59 -2.580 -3.825 2.875 1.00 14.25 H new ATOM 0 HG23 VAL A 59 -2.655 -2.500 4.060 1.00 14.25 H new ATOM 957 N THR A 60 -1.209 -2.915 6.861 1.00 74.22 N ATOM 958 CA THR A 60 -1.927 -2.162 7.864 1.00 13.44 C ATOM 959 C THR A 60 -1.460 -0.713 7.876 1.00 40.33 C ATOM 960 O THR A 60 -0.302 -0.414 7.575 1.00 25.12 O ATOM 961 CB THR A 60 -1.760 -2.773 9.271 1.00 62.55 C ATOM 962 OG1 THR A 60 -2.621 -2.106 10.202 1.00 2.02 O ATOM 963 CG2 THR A 60 -0.319 -2.673 9.754 1.00 61.33 C ATOM 0 H THR A 60 -0.214 -2.699 6.799 1.00 74.22 H new ATOM 0 HA THR A 60 -2.984 -2.202 7.602 1.00 13.44 H new ATOM 0 HB THR A 60 -2.029 -3.827 9.208 1.00 62.55 H new ATOM 0 HG1 THR A 60 -2.510 -2.501 11.092 1.00 2.02 H new ATOM 0 HG21 THR A 60 -0.237 -3.113 10.748 1.00 61.33 H new ATOM 0 HG22 THR A 60 0.334 -3.209 9.065 1.00 61.33 H new ATOM 0 HG23 THR A 60 -0.021 -1.625 9.795 1.00 61.33 H new ATOM 971 N TYR A 61 -2.384 0.177 8.193 1.00 10.45 N ATOM 972 CA TYR A 61 -2.088 1.588 8.335 1.00 1.02 C ATOM 973 C TYR A 61 -3.189 2.252 9.151 1.00 23.33 C ATOM 974 O TYR A 61 -4.374 1.954 8.965 1.00 63.15 O ATOM 975 CB TYR A 61 -1.937 2.263 6.962 1.00 60.31 C ATOM 976 CG TYR A 61 -3.210 2.336 6.142 1.00 23.04 C ATOM 977 CD1 TYR A 61 -3.810 1.190 5.634 1.00 65.14 C ATOM 978 CD2 TYR A 61 -3.802 3.562 5.867 1.00 74.03 C ATOM 979 CE1 TYR A 61 -4.967 1.263 4.883 1.00 2.52 C ATOM 980 CE2 TYR A 61 -4.960 3.644 5.117 1.00 50.32 C ATOM 981 CZ TYR A 61 -5.537 2.492 4.627 1.00 72.14 C ATOM 982 OH TYR A 61 -6.690 2.568 3.879 1.00 34.34 O ATOM 0 H TYR A 61 -3.362 -0.061 8.359 1.00 10.45 H new ATOM 0 HA TYR A 61 -1.138 1.701 8.857 1.00 1.02 H new ATOM 0 HB2 TYR A 61 -1.560 3.275 7.111 1.00 60.31 H new ATOM 0 HB3 TYR A 61 -1.184 1.723 6.389 1.00 60.31 H new ATOM 0 HD1 TYR A 61 -3.364 0.226 5.830 1.00 65.14 H new ATOM 0 HD2 TYR A 61 -3.350 4.467 6.246 1.00 74.03 H new ATOM 0 HE1 TYR A 61 -5.423 0.362 4.499 1.00 2.52 H new ATOM 0 HE2 TYR A 61 -5.410 4.605 4.916 1.00 50.32 H new ATOM 0 HH TYR A 61 -6.962 3.505 3.792 1.00 34.34 H new ATOM 992 N PRO A 62 -2.811 3.119 10.097 1.00 41.13 N ATOM 993 CA PRO A 62 -3.763 3.844 10.940 1.00 12.33 C ATOM 994 C PRO A 62 -4.552 4.885 10.154 1.00 24.24 C ATOM 995 O PRO A 62 -4.009 5.561 9.279 1.00 51.44 O ATOM 996 CB PRO A 62 -2.880 4.535 11.989 1.00 1.33 C ATOM 997 CG PRO A 62 -1.531 3.910 11.857 1.00 63.33 C ATOM 998 CD PRO A 62 -1.423 3.457 10.432 1.00 14.32 C ATOM 0 HA PRO A 62 -4.507 3.174 11.369 1.00 12.33 H new ATOM 0 HB2 PRO A 62 -2.832 5.610 11.814 1.00 1.33 H new ATOM 0 HB3 PRO A 62 -3.281 4.393 12.993 1.00 1.33 H new ATOM 0 HG2 PRO A 62 -0.745 4.625 12.100 1.00 63.33 H new ATOM 0 HG3 PRO A 62 -1.421 3.070 12.543 1.00 63.33 H new ATOM 0 HD2 PRO A 62 -1.030 4.242 9.786 1.00 14.32 H new ATOM 0 HD3 PRO A 62 -0.760 2.598 10.329 1.00 14.32 H new ATOM 1006 N GLY A 63 -5.831 5.007 10.469 1.00 44.33 N ATOM 1007 CA GLY A 63 -6.660 5.988 9.805 1.00 53.13 C ATOM 1008 C GLY A 63 -7.573 5.376 8.765 1.00 73.25 C ATOM 1009 O GLY A 63 -7.127 4.972 7.691 1.00 41.33 O ATOM 0 H GLY A 63 -6.310 4.444 11.172 1.00 44.33 H new ATOM 0 HA2 GLY A 63 -7.262 6.511 10.548 1.00 53.13 H new ATOM 0 HA3 GLY A 63 -6.023 6.733 9.329 1.00 53.13 H new ATOM 1013 N GLU A 64 -8.856 5.304 9.090 1.00 2.31 N ATOM 1014 CA GLU A 64 -9.857 4.837 8.141 1.00 73.35 C ATOM 1015 C GLU A 64 -10.278 5.983 7.230 1.00 42.23 C ATOM 1016 O GLU A 64 -10.902 5.776 6.190 1.00 55.04 O ATOM 1017 CB GLU A 64 -11.071 4.264 8.876 1.00 0.25 C ATOM 1018 CG GLU A 64 -11.082 2.745 8.970 1.00 34.14 C ATOM 1019 CD GLU A 64 -9.795 2.172 9.534 1.00 41.10 C ATOM 1020 OE1 GLU A 64 -9.622 2.182 10.772 1.00 3.31 O ATOM 1021 OE2 GLU A 64 -8.960 1.693 8.742 1.00 14.33 O ATOM 0 H GLU A 64 -9.228 5.563 10.004 1.00 2.31 H new ATOM 0 HA GLU A 64 -9.422 4.043 7.534 1.00 73.35 H new ATOM 0 HB2 GLU A 64 -11.102 4.680 9.883 1.00 0.25 H new ATOM 0 HB3 GLU A 64 -11.978 4.592 8.368 1.00 0.25 H new ATOM 0 HG2 GLU A 64 -11.917 2.432 9.597 1.00 34.14 H new ATOM 0 HG3 GLU A 64 -11.254 2.327 7.978 1.00 34.14 H new ATOM 1028 N LEU A 65 -9.930 7.194 7.638 1.00 72.44 N ATOM 1029 CA LEU A 65 -10.203 8.384 6.853 1.00 70.13 C ATOM 1030 C LEU A 65 -8.918 9.183 6.671 1.00 3.31 C ATOM 1031 O LEU A 65 -8.421 9.801 7.615 1.00 50.14 O ATOM 1032 CB LEU A 65 -11.273 9.244 7.534 1.00 63.25 C ATOM 1033 CG LEU A 65 -11.663 10.516 6.777 1.00 10.33 C ATOM 1034 CD1 LEU A 65 -12.300 10.170 5.437 1.00 54.15 C ATOM 1035 CD2 LEU A 65 -12.607 11.363 7.614 1.00 44.43 C ATOM 0 H LEU A 65 -9.452 7.377 8.520 1.00 72.44 H new ATOM 0 HA LEU A 65 -10.579 8.084 5.875 1.00 70.13 H new ATOM 0 HB2 LEU A 65 -12.167 8.637 7.678 1.00 63.25 H new ATOM 0 HB3 LEU A 65 -10.915 9.525 8.525 1.00 63.25 H new ATOM 0 HG LEU A 65 -10.758 11.093 6.586 1.00 10.33 H new ATOM 0 HD11 LEU A 65 -12.570 11.088 4.915 1.00 54.15 H new ATOM 0 HD12 LEU A 65 -11.591 9.604 4.833 1.00 54.15 H new ATOM 0 HD13 LEU A 65 -13.195 9.571 5.604 1.00 54.15 H new ATOM 0 HD21 LEU A 65 -12.875 12.264 7.061 1.00 44.43 H new ATOM 0 HD22 LEU A 65 -13.509 10.792 7.836 1.00 44.43 H new ATOM 0 HD23 LEU A 65 -12.116 11.642 8.546 1.00 44.43 H new ATOM 1047 N LEU A 66 -8.372 9.152 5.466 1.00 32.43 N ATOM 1048 CA LEU A 66 -7.111 9.823 5.193 1.00 3.31 C ATOM 1049 C LEU A 66 -7.336 11.303 4.921 1.00 22.32 C ATOM 1050 O LEU A 66 -7.924 11.681 3.907 1.00 24.31 O ATOM 1051 CB LEU A 66 -6.378 9.177 4.003 1.00 34.11 C ATOM 1052 CG LEU A 66 -5.803 7.772 4.246 1.00 14.51 C ATOM 1053 CD1 LEU A 66 -4.962 7.745 5.514 1.00 61.32 C ATOM 1054 CD2 LEU A 66 -6.907 6.725 4.304 1.00 72.52 C ATOM 0 H LEU A 66 -8.780 8.671 4.664 1.00 32.43 H new ATOM 0 HA LEU A 66 -6.486 9.717 6.079 1.00 3.31 H new ATOM 0 HB2 LEU A 66 -7.069 9.124 3.162 1.00 34.11 H new ATOM 0 HB3 LEU A 66 -5.562 9.835 3.704 1.00 34.11 H new ATOM 0 HG LEU A 66 -5.157 7.526 3.403 1.00 14.51 H new ATOM 0 HD11 LEU A 66 -4.565 6.741 5.666 1.00 61.32 H new ATOM 0 HD12 LEU A 66 -4.137 8.451 5.418 1.00 61.32 H new ATOM 0 HD13 LEU A 66 -5.581 8.024 6.367 1.00 61.32 H new ATOM 0 HD21 LEU A 66 -6.468 5.742 4.477 1.00 72.52 H new ATOM 0 HD22 LEU A 66 -7.593 6.964 5.117 1.00 72.52 H new ATOM 0 HD23 LEU A 66 -7.452 6.718 3.360 1.00 72.52 H new ATOM 1066 N LEU A 67 -6.880 12.135 5.841 1.00 3.11 N ATOM 1067 CA LEU A 67 -6.931 13.576 5.659 1.00 42.44 C ATOM 1068 C LEU A 67 -5.729 14.038 4.837 1.00 41.32 C ATOM 1069 O LEU A 67 -4.953 13.209 4.358 1.00 12.12 O ATOM 1070 CB LEU A 67 -6.969 14.283 7.018 1.00 14.22 C ATOM 1071 CG LEU A 67 -8.183 13.945 7.890 1.00 73.44 C ATOM 1072 CD1 LEU A 67 -8.096 14.660 9.230 1.00 3.12 C ATOM 1073 CD2 LEU A 67 -9.478 14.314 7.176 1.00 52.05 C ATOM 0 H LEU A 67 -6.469 11.836 6.725 1.00 3.11 H new ATOM 0 HA LEU A 67 -7.841 13.836 5.118 1.00 42.44 H new ATOM 0 HB2 LEU A 67 -6.063 14.029 7.568 1.00 14.22 H new ATOM 0 HB3 LEU A 67 -6.949 15.360 6.851 1.00 14.22 H new ATOM 0 HG LEU A 67 -8.183 12.870 8.071 1.00 73.44 H new ATOM 0 HD11 LEU A 67 -8.967 14.407 9.835 1.00 3.12 H new ATOM 0 HD12 LEU A 67 -7.190 14.349 9.750 1.00 3.12 H new ATOM 0 HD13 LEU A 67 -8.068 15.737 9.066 1.00 3.12 H new ATOM 0 HD21 LEU A 67 -10.328 14.066 7.812 1.00 52.05 H new ATOM 0 HD22 LEU A 67 -9.484 15.383 6.963 1.00 52.05 H new ATOM 0 HD23 LEU A 67 -9.550 13.757 6.242 1.00 52.05 H new ATOM 1085 N GLN A 68 -5.573 15.349 4.690 1.00 33.22 N ATOM 1086 CA GLN A 68 -4.552 15.920 3.811 1.00 12.25 C ATOM 1087 C GLN A 68 -3.134 15.543 4.239 1.00 74.53 C ATOM 1088 O GLN A 68 -2.519 14.644 3.669 1.00 42.41 O ATOM 1089 CB GLN A 68 -4.675 17.443 3.768 1.00 42.44 C ATOM 1090 CG GLN A 68 -5.967 17.946 3.151 1.00 21.44 C ATOM 1091 CD GLN A 68 -6.102 19.451 3.260 1.00 60.41 C ATOM 1092 OE1 GLN A 68 -6.656 19.968 4.233 1.00 50.33 O ATOM 1093 NE2 GLN A 68 -5.590 20.164 2.270 1.00 73.22 N ATOM 0 H GLN A 68 -6.144 16.043 5.171 1.00 33.22 H new ATOM 0 HA GLN A 68 -4.726 15.502 2.819 1.00 12.25 H new ATOM 0 HB2 GLN A 68 -4.595 17.831 4.783 1.00 42.44 H new ATOM 0 HB3 GLN A 68 -3.835 17.848 3.205 1.00 42.44 H new ATOM 0 HG2 GLN A 68 -6.005 17.654 2.102 1.00 21.44 H new ATOM 0 HG3 GLN A 68 -6.814 17.470 3.645 1.00 21.44 H new ATOM 0 HE21 GLN A 68 -5.140 19.695 1.484 1.00 73.22 H new ATOM 0 HE22 GLN A 68 -5.645 21.182 2.293 1.00 73.22 H new ATOM 1102 N GLY A 69 -2.628 16.218 5.260 1.00 41.53 N ATOM 1103 CA GLY A 69 -1.229 16.079 5.616 1.00 31.04 C ATOM 1104 C GLY A 69 -0.984 15.006 6.651 1.00 25.42 C ATOM 1105 O GLY A 69 0.117 14.888 7.182 1.00 43.33 O ATOM 0 H GLY A 69 -3.160 16.859 5.849 1.00 41.53 H new ATOM 0 HA2 GLY A 69 -0.653 15.849 4.719 1.00 31.04 H new ATOM 0 HA3 GLY A 69 -0.860 17.032 5.995 1.00 31.04 H new ATOM 1109 N VAL A 70 -2.004 14.215 6.936 1.00 22.22 N ATOM 1110 CA VAL A 70 -1.888 13.168 7.940 1.00 70.23 C ATOM 1111 C VAL A 70 -1.479 11.843 7.297 1.00 62.11 C ATOM 1112 O VAL A 70 -1.062 10.911 7.981 1.00 71.22 O ATOM 1113 CB VAL A 70 -3.217 12.977 8.706 1.00 54.05 C ATOM 1114 CG1 VAL A 70 -4.248 12.290 7.826 1.00 51.33 C ATOM 1115 CG2 VAL A 70 -2.999 12.201 9.999 1.00 1.42 C ATOM 0 H VAL A 70 -2.919 14.276 6.489 1.00 22.22 H new ATOM 0 HA VAL A 70 -1.117 13.479 8.645 1.00 70.23 H new ATOM 0 HB VAL A 70 -3.599 13.963 8.972 1.00 54.05 H new ATOM 0 HG11 VAL A 70 -5.176 12.165 8.383 1.00 51.33 H new ATOM 0 HG12 VAL A 70 -4.435 12.899 6.941 1.00 51.33 H new ATOM 0 HG13 VAL A 70 -3.873 11.313 7.521 1.00 51.33 H new ATOM 0 HG21 VAL A 70 -3.951 12.082 10.517 1.00 1.42 H new ATOM 0 HG22 VAL A 70 -2.586 11.219 9.769 1.00 1.42 H new ATOM 0 HG23 VAL A 70 -2.304 12.746 10.638 1.00 1.42 H new ATOM 1125 N HIS A 71 -1.581 11.764 5.979 1.00 65.12 N ATOM 1126 CA HIS A 71 -1.341 10.503 5.296 1.00 55.53 C ATOM 1127 C HIS A 71 0.069 10.436 4.709 1.00 23.33 C ATOM 1128 O HIS A 71 0.522 9.376 4.297 1.00 13.52 O ATOM 1129 CB HIS A 71 -2.403 10.252 4.202 1.00 71.24 C ATOM 1130 CG HIS A 71 -2.325 11.160 3.003 1.00 3.41 C ATOM 1131 ND1 HIS A 71 -3.386 11.905 2.543 1.00 74.33 N ATOM 1132 CD2 HIS A 71 -1.307 11.406 2.149 1.00 25.21 C ATOM 1133 CE1 HIS A 71 -3.023 12.565 1.459 1.00 23.01 C ATOM 1134 NE2 HIS A 71 -1.761 12.281 1.198 1.00 32.45 N ATOM 0 H HIS A 71 -1.824 12.545 5.369 1.00 65.12 H new ATOM 0 HA HIS A 71 -1.425 9.712 6.041 1.00 55.53 H new ATOM 0 HB2 HIS A 71 -2.312 9.221 3.861 1.00 71.24 H new ATOM 0 HB3 HIS A 71 -3.392 10.354 4.650 1.00 71.24 H new ATOM 0 HD1 HIS A 71 -4.310 11.942 2.973 1.00 74.33 H new ATOM 0 HD2 HIS A 71 -0.313 10.987 2.206 1.00 25.21 H new ATOM 0 HE1 HIS A 71 -3.653 13.226 0.883 1.00 23.01 H new ATOM 1143 N ASP A 72 0.770 11.556 4.677 1.00 34.31 N ATOM 1144 CA ASP A 72 2.052 11.611 3.975 1.00 32.34 C ATOM 1145 C ASP A 72 3.111 10.774 4.676 1.00 14.04 C ATOM 1146 O ASP A 72 3.902 10.086 4.027 1.00 33.30 O ATOM 1147 CB ASP A 72 2.543 13.054 3.835 1.00 70.44 C ATOM 1148 CG ASP A 72 1.714 13.857 2.857 1.00 42.11 C ATOM 1149 OD1 ASP A 72 1.820 13.611 1.636 1.00 2.41 O ATOM 1150 OD2 ASP A 72 0.954 14.742 3.301 1.00 3.15 O ATOM 0 H ASP A 72 0.484 12.429 5.119 1.00 34.31 H new ATOM 0 HA ASP A 72 1.887 11.196 2.981 1.00 32.34 H new ATOM 0 HB2 ASP A 72 2.518 13.539 4.811 1.00 70.44 H new ATOM 0 HB3 ASP A 72 3.583 13.050 3.507 1.00 70.44 H new ATOM 1155 N ASP A 73 3.107 10.799 5.995 1.00 45.52 N ATOM 1156 CA ASP A 73 4.107 10.070 6.757 1.00 71.32 C ATOM 1157 C ASP A 73 3.519 8.795 7.347 1.00 52.23 C ATOM 1158 O ASP A 73 4.172 8.110 8.132 1.00 33.41 O ATOM 1159 CB ASP A 73 4.693 10.956 7.866 1.00 75.50 C ATOM 1160 CG ASP A 73 5.955 10.372 8.477 1.00 61.03 C ATOM 1161 OD1 ASP A 73 7.035 10.513 7.869 1.00 5.11 O ATOM 1162 OD2 ASP A 73 5.875 9.759 9.560 1.00 31.25 O ATOM 0 H ASP A 73 2.429 11.311 6.559 1.00 45.52 H new ATOM 0 HA ASP A 73 4.912 9.790 6.077 1.00 71.32 H new ATOM 0 HB2 ASP A 73 4.914 11.942 7.458 1.00 75.50 H new ATOM 0 HB3 ASP A 73 3.946 11.094 8.648 1.00 75.50 H new ATOM 1167 N VAL A 74 2.300 8.439 6.943 1.00 61.34 N ATOM 1168 CA VAL A 74 1.685 7.239 7.488 1.00 60.22 C ATOM 1169 C VAL A 74 2.349 6.006 6.879 1.00 74.43 C ATOM 1170 O VAL A 74 2.384 5.832 5.658 1.00 62.12 O ATOM 1171 CB VAL A 74 0.142 7.198 7.294 1.00 31.03 C ATOM 1172 CG1 VAL A 74 -0.261 6.992 5.847 1.00 23.04 C ATOM 1173 CG2 VAL A 74 -0.478 6.129 8.182 1.00 62.44 C ATOM 0 H VAL A 74 1.737 8.948 6.262 1.00 61.34 H new ATOM 0 HA VAL A 74 1.846 7.249 8.566 1.00 60.22 H new ATOM 0 HB VAL A 74 -0.241 8.175 7.590 1.00 31.03 H new ATOM 0 HG11 VAL A 74 -1.348 6.972 5.771 1.00 23.04 H new ATOM 0 HG12 VAL A 74 0.130 7.809 5.241 1.00 23.04 H new ATOM 0 HG13 VAL A 74 0.145 6.047 5.487 1.00 23.04 H new ATOM 0 HG21 VAL A 74 -1.558 6.114 8.034 1.00 62.44 H new ATOM 0 HG22 VAL A 74 -0.063 5.155 7.923 1.00 62.44 H new ATOM 0 HG23 VAL A 74 -0.258 6.351 9.226 1.00 62.44 H new ATOM 1183 N ASP A 75 2.940 5.193 7.738 1.00 54.41 N ATOM 1184 CA ASP A 75 3.659 4.007 7.302 1.00 53.43 C ATOM 1185 C ASP A 75 2.701 2.873 6.994 1.00 54.14 C ATOM 1186 O ASP A 75 1.960 2.413 7.866 1.00 25.04 O ATOM 1187 CB ASP A 75 4.665 3.554 8.369 1.00 3.43 C ATOM 1188 CG ASP A 75 5.792 4.544 8.577 1.00 34.24 C ATOM 1189 OD1 ASP A 75 5.581 5.557 9.275 1.00 33.12 O ATOM 1190 OD2 ASP A 75 6.899 4.322 8.042 1.00 71.33 O ATOM 0 H ASP A 75 2.936 5.334 8.748 1.00 54.41 H new ATOM 0 HA ASP A 75 4.200 4.268 6.392 1.00 53.43 H new ATOM 0 HB2 ASP A 75 4.142 3.404 9.313 1.00 3.43 H new ATOM 0 HB3 ASP A 75 5.084 2.590 8.080 1.00 3.43 H new ATOM 1195 N ILE A 76 2.708 2.437 5.748 1.00 65.20 N ATOM 1196 CA ILE A 76 1.949 1.271 5.354 1.00 52.50 C ATOM 1197 C ILE A 76 2.801 0.040 5.627 1.00 0.44 C ATOM 1198 O ILE A 76 3.801 -0.197 4.945 1.00 65.22 O ATOM 1199 CB ILE A 76 1.563 1.308 3.857 1.00 24.31 C ATOM 1200 CG1 ILE A 76 1.063 2.704 3.447 1.00 25.32 C ATOM 1201 CG2 ILE A 76 0.501 0.255 3.564 1.00 75.13 C ATOM 1202 CD1 ILE A 76 -0.189 3.155 4.167 1.00 52.54 C ATOM 0 H ILE A 76 3.233 2.876 4.992 1.00 65.20 H new ATOM 0 HA ILE A 76 1.022 1.247 5.927 1.00 52.50 H new ATOM 0 HB ILE A 76 2.454 1.086 3.269 1.00 24.31 H new ATOM 0 HG12 ILE A 76 1.855 3.429 3.632 1.00 25.32 H new ATOM 0 HG13 ILE A 76 0.872 2.708 2.374 1.00 25.32 H new ATOM 0 HG21 ILE A 76 0.236 0.289 2.507 1.00 75.13 H new ATOM 0 HG22 ILE A 76 0.891 -0.733 3.808 1.00 75.13 H new ATOM 0 HG23 ILE A 76 -0.385 0.454 4.167 1.00 75.13 H new ATOM 0 HD11 ILE A 76 -0.472 4.148 3.818 1.00 52.54 H new ATOM 0 HD12 ILE A 76 -0.999 2.455 3.962 1.00 52.54 H new ATOM 0 HD13 ILE A 76 0.000 3.188 5.240 1.00 52.54 H new ATOM 1214 N ILE A 77 2.424 -0.716 6.644 1.00 2.41 N ATOM 1215 CA ILE A 77 3.218 -1.852 7.084 1.00 75.03 C ATOM 1216 C ILE A 77 2.724 -3.142 6.444 1.00 4.50 C ATOM 1217 O ILE A 77 1.533 -3.447 6.485 1.00 43.24 O ATOM 1218 CB ILE A 77 3.178 -1.996 8.622 1.00 31.54 C ATOM 1219 CG1 ILE A 77 3.635 -0.696 9.289 1.00 64.40 C ATOM 1220 CG2 ILE A 77 4.048 -3.165 9.070 1.00 72.24 C ATOM 1221 CD1 ILE A 77 3.556 -0.725 10.801 1.00 53.45 C ATOM 0 H ILE A 77 1.571 -0.564 7.182 1.00 2.41 H new ATOM 0 HA ILE A 77 4.246 -1.669 6.772 1.00 75.03 H new ATOM 0 HB ILE A 77 2.151 -2.197 8.927 1.00 31.54 H new ATOM 0 HG12 ILE A 77 4.663 -0.488 8.992 1.00 64.40 H new ATOM 0 HG13 ILE A 77 3.023 0.126 8.918 1.00 64.40 H new ATOM 0 HG21 ILE A 77 4.009 -3.253 10.156 1.00 72.24 H new ATOM 0 HG22 ILE A 77 3.680 -4.086 8.618 1.00 72.24 H new ATOM 0 HG23 ILE A 77 5.078 -2.993 8.757 1.00 72.24 H new ATOM 0 HD11 ILE A 77 3.896 0.230 11.201 1.00 53.45 H new ATOM 0 HD12 ILE A 77 2.525 -0.901 11.108 1.00 53.45 H new ATOM 0 HD13 ILE A 77 4.190 -1.525 11.183 1.00 53.45 H new ATOM 1233 N LEU A 78 3.644 -3.889 5.851 1.00 4.31 N ATOM 1234 CA LEU A 78 3.318 -5.165 5.243 1.00 5.13 C ATOM 1235 C LEU A 78 3.271 -6.246 6.316 1.00 61.30 C ATOM 1236 O LEU A 78 4.298 -6.617 6.878 1.00 41.33 O ATOM 1237 CB LEU A 78 4.362 -5.525 4.180 1.00 41.42 C ATOM 1238 CG LEU A 78 4.043 -6.762 3.338 1.00 53.31 C ATOM 1239 CD1 LEU A 78 2.867 -6.490 2.415 1.00 33.31 C ATOM 1240 CD2 LEU A 78 5.263 -7.191 2.537 1.00 51.13 C ATOM 0 H LEU A 78 4.628 -3.629 5.779 1.00 4.31 H new ATOM 0 HA LEU A 78 2.342 -5.093 4.763 1.00 5.13 H new ATOM 0 HB2 LEU A 78 4.483 -4.673 3.511 1.00 41.42 H new ATOM 0 HB3 LEU A 78 5.321 -5.681 4.675 1.00 41.42 H new ATOM 0 HG LEU A 78 3.770 -7.575 4.011 1.00 53.31 H new ATOM 0 HD11 LEU A 78 2.655 -7.381 1.824 1.00 33.31 H new ATOM 0 HD12 LEU A 78 1.991 -6.231 3.009 1.00 33.31 H new ATOM 0 HD13 LEU A 78 3.111 -5.662 1.749 1.00 33.31 H new ATOM 0 HD21 LEU A 78 5.018 -8.072 1.944 1.00 51.13 H new ATOM 0 HD22 LEU A 78 5.566 -6.381 1.874 1.00 51.13 H new ATOM 0 HD23 LEU A 78 6.080 -7.428 3.218 1.00 51.13 H new ATOM 1252 N LEU A 79 2.077 -6.739 6.594 1.00 25.41 N ATOM 1253 CA LEU A 79 1.878 -7.753 7.619 1.00 33.52 C ATOM 1254 C LEU A 79 2.059 -9.143 7.037 1.00 63.03 C ATOM 1255 O LEU A 79 2.508 -10.065 7.721 1.00 45.10 O ATOM 1256 CB LEU A 79 0.472 -7.643 8.214 1.00 55.35 C ATOM 1257 CG LEU A 79 0.135 -6.306 8.875 1.00 15.12 C ATOM 1258 CD1 LEU A 79 -1.320 -6.291 9.326 1.00 10.53 C ATOM 1259 CD2 LEU A 79 1.063 -6.040 10.053 1.00 34.31 C ATOM 0 H LEU A 79 1.221 -6.451 6.120 1.00 25.41 H new ATOM 0 HA LEU A 79 2.619 -7.588 8.401 1.00 33.52 H new ATOM 0 HB2 LEU A 79 -0.253 -7.829 7.422 1.00 55.35 H new ATOM 0 HB3 LEU A 79 0.347 -8.435 8.953 1.00 55.35 H new ATOM 0 HG LEU A 79 0.279 -5.512 8.142 1.00 15.12 H new ATOM 0 HD11 LEU A 79 -1.546 -5.333 9.795 1.00 10.53 H new ATOM 0 HD12 LEU A 79 -1.970 -6.435 8.463 1.00 10.53 H new ATOM 0 HD13 LEU A 79 -1.487 -7.094 10.044 1.00 10.53 H new ATOM 0 HD21 LEU A 79 0.807 -5.084 10.509 1.00 34.31 H new ATOM 0 HD22 LEU A 79 0.952 -6.835 10.790 1.00 34.31 H new ATOM 0 HD23 LEU A 79 2.095 -6.010 9.704 1.00 34.31 H new ATOM 1271 N GLN A 80 1.701 -9.289 5.772 1.00 22.15 N ATOM 1272 CA GLN A 80 1.760 -10.577 5.107 1.00 34.43 C ATOM 1273 C GLN A 80 2.520 -10.453 3.797 1.00 34.50 C ATOM 1274 O GLN A 80 2.268 -9.538 3.017 1.00 72.10 O ATOM 1275 CB GLN A 80 0.345 -11.076 4.810 1.00 4.01 C ATOM 1276 CG GLN A 80 0.271 -12.543 4.411 1.00 44.34 C ATOM 1277 CD GLN A 80 -0.813 -12.813 3.384 1.00 11.14 C ATOM 1278 OE1 GLN A 80 -0.557 -12.815 2.181 1.00 14.32 O ATOM 1279 NE2 GLN A 80 -2.038 -13.011 3.844 1.00 4.43 N ATOM 0 H GLN A 80 1.365 -8.526 5.184 1.00 22.15 H new ATOM 0 HA GLN A 80 2.271 -11.282 5.763 1.00 34.43 H new ATOM 0 HB2 GLN A 80 -0.276 -10.919 5.692 1.00 4.01 H new ATOM 0 HB3 GLN A 80 -0.081 -10.471 4.009 1.00 4.01 H new ATOM 0 HG2 GLN A 80 1.234 -12.855 4.008 1.00 44.34 H new ATOM 0 HG3 GLN A 80 0.085 -13.148 5.298 1.00 44.34 H new ATOM 0 HE21 GLN A 80 -2.213 -13.003 4.849 1.00 4.43 H new ATOM 0 HE22 GLN A 80 -2.807 -13.172 3.194 1.00 4.43 H new ATOM 1288 N ASP A 81 3.444 -11.366 3.559 1.00 61.21 N ATOM 1289 CA ASP A 81 4.094 -11.458 2.266 1.00 21.11 C ATOM 1290 C ASP A 81 3.719 -12.783 1.627 1.00 45.13 C ATOM 1291 O ASP A 81 3.791 -13.836 2.264 1.00 42.21 O ATOM 1292 CB ASP A 81 5.620 -11.320 2.386 1.00 74.42 C ATOM 1293 CG ASP A 81 6.290 -12.529 3.007 1.00 71.52 C ATOM 1294 OD1 ASP A 81 6.238 -12.669 4.247 1.00 73.42 O ATOM 1295 OD2 ASP A 81 6.883 -13.335 2.258 1.00 73.52 O ATOM 0 H ASP A 81 3.760 -12.053 4.243 1.00 61.21 H new ATOM 0 HA ASP A 81 3.753 -10.635 1.638 1.00 21.11 H new ATOM 0 HB2 ASP A 81 6.040 -11.151 1.395 1.00 74.42 H new ATOM 0 HB3 ASP A 81 5.851 -10.439 2.985 1.00 74.42 H new ATOM 1300 N LEU A 82 3.269 -12.729 0.391 1.00 74.01 N ATOM 1301 CA LEU A 82 2.843 -13.935 -0.296 1.00 1.22 C ATOM 1302 C LEU A 82 4.007 -14.527 -1.073 1.00 11.40 C ATOM 1303 O LEU A 82 4.167 -15.748 -1.142 1.00 10.24 O ATOM 1304 CB LEU A 82 1.663 -13.639 -1.233 1.00 4.32 C ATOM 1305 CG LEU A 82 2.016 -12.932 -2.547 1.00 5.45 C ATOM 1306 CD1 LEU A 82 2.203 -13.940 -3.671 1.00 15.25 C ATOM 1307 CD2 LEU A 82 0.948 -11.924 -2.914 1.00 13.02 C ATOM 0 H LEU A 82 3.188 -11.872 -0.157 1.00 74.01 H new ATOM 0 HA LEU A 82 2.510 -14.661 0.446 1.00 1.22 H new ATOM 0 HB2 LEU A 82 1.167 -14.580 -1.470 1.00 4.32 H new ATOM 0 HB3 LEU A 82 0.941 -13.025 -0.695 1.00 4.32 H new ATOM 0 HG LEU A 82 2.957 -12.402 -2.403 1.00 5.45 H new ATOM 0 HD11 LEU A 82 2.453 -13.415 -4.593 1.00 15.25 H new ATOM 0 HD12 LEU A 82 3.010 -14.626 -3.414 1.00 15.25 H new ATOM 0 HD13 LEU A 82 1.280 -14.503 -3.812 1.00 15.25 H new ATOM 0 HD21 LEU A 82 1.217 -11.433 -3.849 1.00 13.02 H new ATOM 0 HD22 LEU A 82 -0.008 -12.434 -3.034 1.00 13.02 H new ATOM 0 HD23 LEU A 82 0.865 -11.178 -2.124 1.00 13.02 H new ATOM 1319 N GLU A 83 4.829 -13.647 -1.629 1.00 20.23 N ATOM 1320 CA GLU A 83 5.898 -14.054 -2.523 1.00 11.13 C ATOM 1321 C GLU A 83 6.953 -14.871 -1.782 1.00 22.10 C ATOM 1322 O GLU A 83 7.344 -15.945 -2.242 1.00 55.20 O ATOM 1323 CB GLU A 83 6.556 -12.832 -3.175 1.00 2.11 C ATOM 1324 CG GLU A 83 5.563 -11.817 -3.724 1.00 71.20 C ATOM 1325 CD GLU A 83 5.267 -10.701 -2.741 1.00 31.34 C ATOM 1326 OE1 GLU A 83 4.955 -10.997 -1.564 1.00 54.44 O ATOM 1327 OE2 GLU A 83 5.364 -9.524 -3.137 1.00 51.33 O ATOM 0 H GLU A 83 4.773 -12.641 -1.473 1.00 20.23 H new ATOM 0 HA GLU A 83 5.456 -14.677 -3.301 1.00 11.13 H new ATOM 0 HB2 GLU A 83 7.195 -12.341 -2.441 1.00 2.11 H new ATOM 0 HB3 GLU A 83 7.202 -13.169 -3.986 1.00 2.11 H new ATOM 0 HG2 GLU A 83 5.958 -11.389 -4.645 1.00 71.20 H new ATOM 0 HG3 GLU A 83 4.634 -12.326 -3.981 1.00 71.20 H new ATOM 1334 N HIS A 84 7.381 -14.362 -0.624 1.00 43.43 N ATOM 1335 CA HIS A 84 8.467 -14.962 0.159 1.00 1.31 C ATOM 1336 C HIS A 84 9.787 -14.884 -0.601 1.00 75.42 C ATOM 1337 O HIS A 84 10.631 -14.037 -0.313 1.00 50.23 O ATOM 1338 CB HIS A 84 8.153 -16.415 0.543 1.00 64.42 C ATOM 1339 CG HIS A 84 7.072 -16.549 1.571 1.00 41.42 C ATOM 1340 ND1 HIS A 84 5.729 -16.552 1.261 1.00 34.41 N ATOM 1341 CD2 HIS A 84 7.146 -16.697 2.913 1.00 31.13 C ATOM 1342 CE1 HIS A 84 5.026 -16.697 2.370 1.00 24.23 C ATOM 1343 NE2 HIS A 84 5.861 -16.789 3.388 1.00 23.23 N ATOM 0 H HIS A 84 6.985 -13.522 -0.202 1.00 43.43 H new ATOM 0 HA HIS A 84 8.560 -14.388 1.081 1.00 1.31 H new ATOM 0 HB2 HIS A 84 7.859 -16.962 -0.353 1.00 64.42 H new ATOM 0 HB3 HIS A 84 9.061 -16.885 0.921 1.00 64.42 H new ATOM 0 HD1 HIS A 84 5.339 -16.457 0.323 1.00 34.41 H new ATOM 0 HD2 HIS A 84 8.050 -16.736 3.503 1.00 31.13 H new ATOM 0 HE1 HIS A 84 3.948 -16.734 2.433 1.00 24.23 H new ATOM 1352 N HIS A 85 9.949 -15.745 -1.592 1.00 20.13 N ATOM 1353 CA HIS A 85 11.140 -15.750 -2.422 1.00 54.11 C ATOM 1354 C HIS A 85 10.790 -16.310 -3.795 1.00 1.11 C ATOM 1355 O HIS A 85 10.100 -17.348 -3.847 1.00 62.02 O ATOM 1356 CB HIS A 85 12.283 -16.551 -1.771 1.00 43.13 C ATOM 1357 CG HIS A 85 12.048 -18.030 -1.692 1.00 75.10 C ATOM 1358 ND1 HIS A 85 12.529 -18.913 -2.633 1.00 55.34 N ATOM 1359 CD2 HIS A 85 11.388 -18.779 -0.780 1.00 44.44 C ATOM 1360 CE1 HIS A 85 12.174 -20.140 -2.305 1.00 44.43 C ATOM 1361 NE2 HIS A 85 11.481 -20.085 -1.186 1.00 53.41 N ATOM 0 H HIS A 85 9.262 -16.456 -1.842 1.00 20.13 H new ATOM 0 HA HIS A 85 11.497 -14.726 -2.530 1.00 54.11 H new ATOM 0 HB2 HIS A 85 13.199 -16.372 -2.333 1.00 43.13 H new ATOM 0 HB3 HIS A 85 12.448 -16.169 -0.764 1.00 43.13 H new ATOM 0 HD2 HIS A 85 10.882 -18.416 0.103 1.00 44.44 H new ATOM 0 HE1 HIS A 85 12.411 -21.036 -2.859 1.00 44.43 H new ATOM 0 HE2 HIS A 85 11.078 -20.886 -0.700 1.00 53.41 H new TER 1370 HIS A 85