USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 819 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 113 SER OG : rot 180:sc= 0.0592 USER MOD Set 1.2: A 117 ASN : amide:sc= -1.07 X(o=-1,f=-1.2!) USER MOD Set 2.1: A 67 ASN : amide:sc= -0.0579 K(o=-1.8,f=-2.9) USER MOD Set 2.2: A 69 ASN : amide:sc= -1.74 K(o=-1.8,f=-3.8!) USER MOD Set 3.1: A 64 THR OG1 : rot 180:sc= 0.35 USER MOD Set 3.2: A 70 SER OG : rot -133:sc= -0.538 USER MOD Single : A 1 VAL N :NH3+ 143:sc= -1.73! (180deg=-2.5!) USER MOD Single : A 2 SER OG : rot 170:sc= -0.735 USER MOD Single : A 4 SER OG : rot 8:sc= 0.0364 USER MOD Single : A 5 TYR OH : rot -57:sc= 0.317 USER MOD Single : A 9 TYR OH : rot -43:sc= 0.346 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -150:sc= -0.152 (180deg=-1.21) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 124:sc= 0.711 USER MOD Single : A 22 ASN : amide:sc= -0.329 K(o=-0.33,f=-2.3) USER MOD Single : A 25 HIS : no HD1:sc= -4.51 K(o=-4.5,f=-3!) USER MOD Single : A 28 MET CE :methyl -155:sc= -3.61 (180deg=-4.08) USER MOD Single : A 30 GLN : amide:sc= -0.0164 K(o=-0.016,f=-1.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.249 K(o=-0.25,f=-3.1!) USER MOD Single : A 54 SER OG : rot -103:sc= -3.27! USER MOD Single : A 56 SER OG : rot 122:sc= 0 USER MOD Single : A 59 THR OG1 : rot 107:sc= 0.69 USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= -0.0957 (180deg=-0.114) USER MOD Single : A 78 SER OG : rot 180:sc= 0.00945 USER MOD Single : A 84 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.19) USER MOD Single : A 86 ASN : amide:sc= -5.13 K(o=-5.1,f=-11!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 83:sc= -0.747 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc=0.000244 USER MOD Single : A 104 ASN : amide:sc= -0.0723 X(o=-0.072,f=-0.12) USER MOD Single : A 106 ASN : amide:sc= -3.59! C(o=-3.6!,f=-12!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.099) USER MOD Single : A 114 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.2!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.534 -3.055 13.548 1.00 0.00 N ATOM 2 CA VAL A 1 90.368 -3.435 12.116 1.00 0.00 C ATOM 3 C VAL A 1 91.588 -4.214 11.616 1.00 0.00 C ATOM 4 O VAL A 1 92.711 -3.957 12.019 1.00 0.00 O ATOM 5 CB VAL A 1 90.236 -2.110 11.353 1.00 0.00 C ATOM 6 CG1 VAL A 1 88.955 -1.397 11.788 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.441 -1.215 11.650 1.00 0.00 C ATOM 0 H1 VAL A 1 90.128 -2.110 13.706 1.00 0.00 H new ATOM 0 H2 VAL A 1 90.044 -3.747 14.150 1.00 0.00 H new ATOM 0 H3 VAL A 1 91.546 -3.042 13.789 1.00 0.00 H new ATOM 0 HA VAL A 1 89.500 -4.079 11.972 1.00 0.00 H new ATOM 0 HB VAL A 1 90.197 -2.316 10.283 1.00 0.00 H new ATOM 0 HG11 VAL A 1 88.861 -0.456 11.246 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.094 -2.029 11.569 1.00 0.00 H new ATOM 0 HG13 VAL A 1 88.996 -1.197 12.859 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.340 -0.276 11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.487 -1.010 12.720 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.355 -1.720 11.337 1.00 0.00 H new ATOM 17 N SER A 2 91.372 -5.171 10.752 1.00 0.00 N ATOM 18 CA SER A 2 92.506 -5.978 10.210 1.00 0.00 C ATOM 19 C SER A 2 92.698 -5.649 8.729 1.00 0.00 C ATOM 20 O SER A 2 91.746 -5.509 7.985 1.00 0.00 O ATOM 21 CB SER A 2 92.093 -7.435 10.399 1.00 0.00 C ATOM 22 OG SER A 2 93.256 -8.234 10.572 1.00 0.00 O ATOM 0 H SER A 2 90.452 -5.430 10.396 1.00 0.00 H new ATOM 0 HA SER A 2 93.450 -5.770 10.713 1.00 0.00 H new ATOM 0 HB2 SER A 2 91.440 -7.530 11.266 1.00 0.00 H new ATOM 0 HB3 SER A 2 91.526 -7.780 9.534 1.00 0.00 H new ATOM 0 HG SER A 2 92.995 -9.136 10.853 1.00 0.00 H new ATOM 28 N ILE A 3 93.927 -5.507 8.307 1.00 0.00 N ATOM 29 CA ILE A 3 94.201 -5.166 6.882 1.00 0.00 C ATOM 30 C ILE A 3 94.917 -6.315 6.171 1.00 0.00 C ATOM 31 O ILE A 3 95.702 -7.028 6.761 1.00 0.00 O ATOM 32 CB ILE A 3 95.114 -3.932 6.929 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.411 -4.258 7.679 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.394 -2.789 7.646 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.421 -3.136 7.444 1.00 0.00 C ATOM 0 H ILE A 3 94.756 -5.613 8.892 1.00 0.00 H new ATOM 0 HA ILE A 3 93.277 -4.980 6.334 1.00 0.00 H new ATOM 0 HB ILE A 3 95.356 -3.636 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.211 -4.367 8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 3 96.817 -5.208 7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.043 -1.914 7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.478 -2.542 7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.147 -3.095 8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.346 -3.362 7.975 1.00 0.00 H new ATOM 0 HD12 ILE A 3 97.627 -3.049 6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.012 -2.195 7.812 1.00 0.00 H new ATOM 47 N SER A 4 94.662 -6.476 4.902 1.00 0.00 N ATOM 48 CA SER A 4 95.330 -7.553 4.121 1.00 0.00 C ATOM 49 C SER A 4 95.575 -7.037 2.703 1.00 0.00 C ATOM 50 O SER A 4 95.385 -5.865 2.428 1.00 0.00 O ATOM 51 CB SER A 4 94.349 -8.727 4.113 1.00 0.00 C ATOM 52 OG SER A 4 95.040 -9.916 4.473 1.00 0.00 O ATOM 0 H SER A 4 94.012 -5.900 4.368 1.00 0.00 H new ATOM 0 HA SER A 4 96.289 -7.856 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.534 -8.540 4.812 1.00 0.00 H new ATOM 0 HB3 SER A 4 93.903 -8.837 3.125 1.00 0.00 H new ATOM 0 HG SER A 4 95.947 -9.691 4.767 1.00 0.00 H new ATOM 58 N TYR A 5 95.972 -7.891 1.801 1.00 0.00 N ATOM 59 CA TYR A 5 96.201 -7.435 0.400 1.00 0.00 C ATOM 60 C TYR A 5 95.734 -8.505 -0.591 1.00 0.00 C ATOM 61 O TYR A 5 95.809 -9.688 -0.317 1.00 0.00 O ATOM 62 CB TYR A 5 97.714 -7.199 0.298 1.00 0.00 C ATOM 63 CG TYR A 5 98.468 -8.476 0.592 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.707 -8.857 1.917 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.940 -9.270 -0.461 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.415 -10.031 2.190 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.647 -10.446 -0.187 1.00 0.00 C ATOM 68 CZ TYR A 5 99.886 -10.827 1.139 1.00 0.00 C ATOM 69 OH TYR A 5 100.585 -11.984 1.412 1.00 0.00 O ATOM 0 H TYR A 5 96.147 -8.881 1.971 1.00 0.00 H new ATOM 0 HA TYR A 5 95.641 -6.531 0.160 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.966 -6.842 -0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.015 -6.422 1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.344 -8.244 2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.758 -8.975 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.599 -10.324 3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 5 100.008 -11.060 -0.999 1.00 0.00 H new ATOM 0 HH TYR A 5 101.368 -11.771 1.961 1.00 0.00 H new ATOM 79 N ASP A 6 95.262 -8.098 -1.746 1.00 0.00 N ATOM 80 CA ASP A 6 94.801 -9.093 -2.759 1.00 0.00 C ATOM 81 C ASP A 6 95.498 -8.828 -4.106 1.00 0.00 C ATOM 82 O ASP A 6 95.818 -7.696 -4.413 1.00 0.00 O ATOM 83 CB ASP A 6 93.290 -8.883 -2.878 1.00 0.00 C ATOM 84 CG ASP A 6 92.576 -9.412 -1.624 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.243 -9.649 -0.627 1.00 0.00 O ATOM 86 OD2 ASP A 6 91.368 -9.573 -1.684 1.00 0.00 O1- ATOM 0 H ASP A 6 95.177 -7.121 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 6 95.038 -10.117 -2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 6 93.073 -7.823 -3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.913 -9.396 -3.763 1.00 0.00 H new ATOM 91 N PRO A 7 95.727 -9.877 -4.867 1.00 0.00 N ATOM 92 CA PRO A 7 96.409 -9.722 -6.174 1.00 0.00 C ATOM 93 C PRO A 7 95.442 -9.295 -7.292 1.00 0.00 C ATOM 94 O PRO A 7 95.871 -9.012 -8.395 1.00 0.00 O ATOM 95 CB PRO A 7 96.947 -11.120 -6.458 1.00 0.00 C ATOM 96 CG PRO A 7 96.058 -12.060 -5.701 1.00 0.00 C ATOM 97 CD PRO A 7 95.393 -11.284 -4.590 1.00 0.00 C ATOM 0 HA PRO A 7 97.175 -8.947 -6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.927 -11.337 -7.526 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.983 -11.214 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.309 -12.493 -6.364 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.639 -12.887 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.315 -11.442 -4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.764 -11.594 -3.613 1.00 0.00 H new ATOM 105 N ILE A 8 94.152 -9.260 -7.039 1.00 0.00 N ATOM 106 CA ILE A 8 93.197 -8.866 -8.129 1.00 0.00 C ATOM 107 C ILE A 8 93.282 -7.360 -8.413 1.00 0.00 C ATOM 108 O ILE A 8 93.246 -6.945 -9.556 1.00 0.00 O ATOM 109 CB ILE A 8 91.787 -9.289 -7.657 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.314 -8.414 -6.487 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.802 -10.759 -7.220 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.866 -8.761 -6.146 1.00 0.00 C ATOM 0 H ILE A 8 93.724 -9.483 -6.140 1.00 0.00 H new ATOM 0 HA ILE A 8 93.442 -9.361 -9.069 1.00 0.00 H new ATOM 0 HB ILE A 8 91.097 -9.160 -8.491 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.952 -8.574 -5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.394 -7.360 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.805 -11.050 -6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 8 92.103 -11.385 -8.060 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.509 -10.888 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.529 -8.141 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.234 -8.579 -7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.800 -9.812 -5.864 1.00 0.00 H new ATOM 124 N TYR A 9 93.364 -6.541 -7.392 1.00 0.00 N ATOM 125 CA TYR A 9 93.422 -5.065 -7.629 1.00 0.00 C ATOM 126 C TYR A 9 94.781 -4.653 -8.204 1.00 0.00 C ATOM 127 O TYR A 9 95.549 -3.925 -7.611 1.00 0.00 O ATOM 128 CB TYR A 9 93.131 -4.387 -6.288 1.00 0.00 C ATOM 129 CG TYR A 9 91.769 -4.810 -5.788 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.644 -4.670 -6.609 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.633 -5.346 -4.504 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.384 -5.068 -6.146 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.374 -5.745 -4.040 1.00 0.00 C ATOM 134 CZ TYR A 9 89.250 -5.607 -4.861 1.00 0.00 C ATOM 135 OH TYR A 9 88.010 -6.006 -4.402 1.00 0.00 O ATOM 0 H TYR A 9 93.393 -6.828 -6.414 1.00 0.00 H new ATOM 0 HA TYR A 9 92.683 -4.757 -8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.896 -4.656 -5.560 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.167 -3.304 -6.402 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.748 -4.255 -7.600 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.500 -5.452 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.516 -4.959 -6.780 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.271 -6.159 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 9 87.340 -5.333 -4.643 1.00 0.00 H new ATOM 145 N ALA A 10 95.021 -5.093 -9.413 1.00 0.00 N ATOM 146 CA ALA A 10 96.260 -4.738 -10.162 1.00 0.00 C ATOM 147 C ALA A 10 95.903 -3.679 -11.209 1.00 0.00 C ATOM 148 O ALA A 10 94.753 -3.327 -11.388 1.00 0.00 O ATOM 149 CB ALA A 10 96.754 -6.030 -10.813 1.00 0.00 C ATOM 0 H ALA A 10 94.386 -5.704 -9.927 1.00 0.00 H new ATOM 0 HA ALA A 10 97.041 -4.325 -9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.664 -5.828 -11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.963 -6.770 -10.040 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.987 -6.415 -11.486 1.00 0.00 H new ATOM 155 N ALA A 11 96.902 -3.117 -11.839 1.00 0.00 N ATOM 156 CA ALA A 11 96.666 -2.006 -12.814 1.00 0.00 C ATOM 157 C ALA A 11 95.771 -2.401 -13.991 1.00 0.00 C ATOM 158 O ALA A 11 95.040 -1.564 -14.495 1.00 0.00 O ATOM 159 CB ALA A 11 98.057 -1.612 -13.316 1.00 0.00 C ATOM 0 H ALA A 11 97.880 -3.381 -11.720 1.00 0.00 H new ATOM 0 HA ALA A 11 96.136 -1.189 -12.324 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.967 -0.800 -14.037 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.668 -1.284 -12.475 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.528 -2.471 -13.794 1.00 0.00 H new ATOM 165 N ASP A 12 95.824 -3.621 -14.474 1.00 0.00 N ATOM 166 CA ASP A 12 94.969 -3.957 -15.658 1.00 0.00 C ATOM 167 C ASP A 12 93.588 -4.478 -15.244 1.00 0.00 C ATOM 168 O ASP A 12 92.830 -4.956 -16.067 1.00 0.00 O ATOM 169 CB ASP A 12 95.750 -5.002 -16.453 1.00 0.00 C ATOM 170 CG ASP A 12 96.975 -4.348 -17.100 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.908 -3.166 -17.401 1.00 0.00 O ATOM 172 OD2 ASP A 12 97.962 -5.041 -17.286 1.00 0.00 O1- ATOM 0 H ASP A 12 96.404 -4.378 -14.113 1.00 0.00 H new ATOM 0 HA ASP A 12 94.768 -3.069 -16.257 1.00 0.00 H new ATOM 0 HB2 ASP A 12 96.063 -5.814 -15.796 1.00 0.00 H new ATOM 0 HB3 ASP A 12 95.112 -5.441 -17.220 1.00 0.00 H new ATOM 177 N LEU A 13 93.245 -4.369 -13.988 1.00 0.00 N ATOM 178 CA LEU A 13 91.903 -4.833 -13.522 1.00 0.00 C ATOM 179 C LEU A 13 90.829 -3.886 -14.048 1.00 0.00 C ATOM 180 O LEU A 13 90.901 -2.686 -13.858 1.00 0.00 O ATOM 181 CB LEU A 13 91.964 -4.765 -11.994 1.00 0.00 C ATOM 182 CG LEU A 13 90.656 -5.300 -11.406 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.495 -6.780 -11.760 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.683 -5.145 -9.889 1.00 0.00 C ATOM 0 H LEU A 13 93.840 -3.976 -13.259 1.00 0.00 H new ATOM 0 HA LEU A 13 91.663 -5.836 -13.873 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.807 -5.351 -11.627 1.00 0.00 H new ATOM 0 HB3 LEU A 13 92.126 -3.737 -11.671 1.00 0.00 H new ATOM 0 HG LEU A 13 89.819 -4.737 -11.820 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.562 -7.155 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.476 -6.895 -12.844 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.332 -7.345 -11.350 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.752 -5.525 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.523 -5.707 -9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.793 -4.091 -9.633 1.00 0.00 H new ATOM 196 N SER A 14 89.840 -4.415 -14.718 1.00 0.00 N ATOM 197 CA SER A 14 88.765 -3.541 -15.270 1.00 0.00 C ATOM 198 C SER A 14 87.906 -2.972 -14.140 1.00 0.00 C ATOM 199 O SER A 14 87.539 -3.659 -13.206 1.00 0.00 O ATOM 200 CB SER A 14 87.941 -4.424 -16.202 1.00 0.00 C ATOM 201 OG SER A 14 86.840 -3.677 -16.704 1.00 0.00 O ATOM 0 H SER A 14 89.730 -5.411 -14.906 1.00 0.00 H new ATOM 0 HA SER A 14 89.176 -2.686 -15.807 1.00 0.00 H new ATOM 0 HB2 SER A 14 88.560 -4.780 -17.026 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.585 -5.304 -15.667 1.00 0.00 H new ATOM 0 HG SER A 14 86.309 -4.241 -17.305 1.00 0.00 H new ATOM 207 N MET A 15 87.606 -1.706 -14.226 1.00 0.00 N ATOM 208 CA MET A 15 86.786 -1.036 -13.169 1.00 0.00 C ATOM 209 C MET A 15 85.353 -1.581 -13.142 1.00 0.00 C ATOM 210 O MET A 15 84.646 -1.416 -12.167 1.00 0.00 O ATOM 211 CB MET A 15 86.784 0.448 -13.541 1.00 0.00 C ATOM 212 CG MET A 15 88.193 1.021 -13.371 1.00 0.00 C ATOM 213 SD MET A 15 88.629 1.042 -11.615 1.00 0.00 S ATOM 214 CE MET A 15 87.490 2.354 -11.113 1.00 0.00 C ATOM 0 H MET A 15 87.896 -1.097 -14.991 1.00 0.00 H new ATOM 0 HA MET A 15 87.199 -1.214 -12.176 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.451 0.575 -14.571 1.00 0.00 H new ATOM 0 HB3 MET A 15 86.081 0.991 -12.909 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.911 0.419 -13.928 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.238 2.030 -13.780 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.911 2.898 -10.267 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.336 3.041 -11.945 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.535 1.916 -10.823 1.00 0.00 H new ATOM 224 N GLY A 16 84.909 -2.215 -14.199 1.00 0.00 N ATOM 225 CA GLY A 16 83.516 -2.751 -14.228 1.00 0.00 C ATOM 226 C GLY A 16 83.353 -3.894 -13.223 1.00 0.00 C ATOM 227 O GLY A 16 82.245 -4.301 -12.927 1.00 0.00 O ATOM 0 H GLY A 16 85.454 -2.384 -15.044 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.810 -1.954 -13.997 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.279 -3.106 -15.231 1.00 0.00 H new ATOM 231 N SER A 17 84.433 -4.430 -12.710 1.00 0.00 N ATOM 232 CA SER A 17 84.317 -5.560 -11.746 1.00 0.00 C ATOM 233 C SER A 17 84.298 -5.069 -10.292 1.00 0.00 C ATOM 234 O SER A 17 83.962 -5.820 -9.393 1.00 0.00 O ATOM 235 CB SER A 17 85.554 -6.417 -12.002 1.00 0.00 C ATOM 236 OG SER A 17 85.557 -6.840 -13.360 1.00 0.00 O ATOM 0 H SER A 17 85.386 -4.133 -12.918 1.00 0.00 H new ATOM 0 HA SER A 17 83.386 -6.109 -11.887 1.00 0.00 H new ATOM 0 HB2 SER A 17 86.457 -5.847 -11.784 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.555 -7.282 -11.339 1.00 0.00 H new ATOM 0 HG SER A 17 86.351 -7.389 -13.530 1.00 0.00 H new ATOM 242 N VAL A 18 84.668 -3.833 -10.039 1.00 0.00 N ATOM 243 CA VAL A 18 84.679 -3.338 -8.625 1.00 0.00 C ATOM 244 C VAL A 18 83.322 -2.721 -8.255 1.00 0.00 C ATOM 245 O VAL A 18 82.537 -2.357 -9.110 1.00 0.00 O ATOM 246 CB VAL A 18 85.809 -2.295 -8.561 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.554 -1.175 -9.575 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.882 -1.687 -7.162 1.00 0.00 C ATOM 0 H VAL A 18 84.959 -3.154 -10.742 1.00 0.00 H new ATOM 0 HA VAL A 18 84.848 -4.145 -7.912 1.00 0.00 H new ATOM 0 HB VAL A 18 86.750 -2.793 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.360 -0.444 -9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.514 -1.596 -10.580 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.606 -0.688 -9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.685 -0.950 -7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.934 -1.203 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.079 -2.473 -6.433 1.00 0.00 H new ATOM 258 N ALA A 19 83.046 -2.618 -6.978 1.00 0.00 N ATOM 259 CA ALA A 19 81.741 -2.043 -6.520 1.00 0.00 C ATOM 260 C ALA A 19 81.555 -0.625 -7.070 1.00 0.00 C ATOM 261 O ALA A 19 80.486 -0.271 -7.526 1.00 0.00 O ATOM 262 CB ALA A 19 81.826 -2.019 -4.987 1.00 0.00 C ATOM 0 H ALA A 19 83.673 -2.909 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 19 80.893 -2.630 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.903 -1.609 -4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.969 -3.033 -4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.667 -1.398 -4.679 1.00 0.00 H new ATOM 268 N CYS A 20 82.585 0.181 -7.047 1.00 0.00 N ATOM 269 CA CYS A 20 82.466 1.567 -7.593 1.00 0.00 C ATOM 270 C CYS A 20 82.626 1.510 -9.116 1.00 0.00 C ATOM 271 O CYS A 20 83.644 1.895 -9.659 1.00 0.00 O ATOM 272 CB CYS A 20 83.611 2.354 -6.953 1.00 0.00 C ATOM 273 SG CYS A 20 83.264 2.599 -5.192 1.00 0.00 S ATOM 0 H CYS A 20 83.503 -0.060 -6.674 1.00 0.00 H new ATOM 0 HA CYS A 20 81.504 2.031 -7.376 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.551 1.816 -7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.727 3.317 -7.449 1.00 0.00 H new ATOM 278 N SER A 21 81.627 1.009 -9.801 1.00 0.00 N ATOM 279 CA SER A 21 81.710 0.895 -11.287 1.00 0.00 C ATOM 280 C SER A 21 80.919 2.017 -11.958 1.00 0.00 C ATOM 281 O SER A 21 81.486 2.973 -12.453 1.00 0.00 O ATOM 282 CB SER A 21 81.109 -0.471 -11.623 1.00 0.00 C ATOM 283 OG SER A 21 79.978 -0.709 -10.793 1.00 0.00 O ATOM 0 H SER A 21 80.755 0.673 -9.391 1.00 0.00 H new ATOM 0 HA SER A 21 82.736 0.982 -11.645 1.00 0.00 H new ATOM 0 HB2 SER A 21 80.816 -0.503 -12.673 1.00 0.00 H new ATOM 0 HB3 SER A 21 81.853 -1.254 -11.475 1.00 0.00 H new ATOM 0 HG SER A 21 79.195 -0.893 -11.352 1.00 0.00 H new ATOM 289 N ASN A 22 79.615 1.904 -11.982 1.00 0.00 N ATOM 290 CA ASN A 22 78.792 2.962 -12.626 1.00 0.00 C ATOM 291 C ASN A 22 77.713 3.449 -11.660 1.00 0.00 C ATOM 292 O ASN A 22 77.499 2.880 -10.607 1.00 0.00 O ATOM 293 CB ASN A 22 78.171 2.302 -13.855 1.00 0.00 C ATOM 294 CG ASN A 22 79.263 2.000 -14.883 1.00 0.00 C ATOM 295 OD1 ASN A 22 80.270 2.679 -14.933 1.00 0.00 O ATOM 296 ND2 ASN A 22 79.106 1.002 -15.709 1.00 0.00 N ATOM 0 H ASN A 22 79.090 1.126 -11.584 1.00 0.00 H new ATOM 0 HA ASN A 22 79.384 3.835 -12.902 1.00 0.00 H new ATOM 0 HB2 ASN A 22 77.663 1.381 -13.568 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.418 2.959 -14.291 1.00 0.00 H new ATOM 0 HD21 ASN A 22 79.829 0.791 -16.397 1.00 0.00 H new ATOM 0 HD22 ASN A 22 78.261 0.433 -15.666 1.00 0.00 H new ATOM 303 N GLY A 23 77.065 4.524 -12.006 1.00 0.00 N ATOM 304 CA GLY A 23 76.025 5.106 -11.114 1.00 0.00 C ATOM 305 C GLY A 23 76.495 6.500 -10.709 1.00 0.00 C ATOM 306 O GLY A 23 77.278 7.115 -11.409 1.00 0.00 O ATOM 0 H GLY A 23 77.213 5.030 -12.879 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.065 5.159 -11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 23 75.881 4.479 -10.234 1.00 0.00 H new ATOM 310 N ASP A 24 76.048 7.002 -9.586 1.00 0.00 N ATOM 311 CA ASP A 24 76.502 8.357 -9.150 1.00 0.00 C ATOM 312 C ASP A 24 77.978 8.314 -8.731 1.00 0.00 C ATOM 313 O ASP A 24 78.733 9.227 -9.006 1.00 0.00 O ATOM 314 CB ASP A 24 75.618 8.716 -7.953 1.00 0.00 C ATOM 315 CG ASP A 24 74.183 8.978 -8.424 1.00 0.00 C ATOM 316 OD1 ASP A 24 74.014 9.382 -9.564 1.00 0.00 O ATOM 317 OD2 ASP A 24 73.277 8.767 -7.635 1.00 0.00 O1- ATOM 0 H ASP A 24 75.394 6.537 -8.957 1.00 0.00 H new ATOM 0 HA ASP A 24 76.418 9.092 -9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.629 7.904 -7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 24 76.012 9.599 -7.451 1.00 0.00 H new ATOM 322 N HIS A 25 78.387 7.268 -8.052 1.00 0.00 N ATOM 323 CA HIS A 25 79.814 7.172 -7.592 1.00 0.00 C ATOM 324 C HIS A 25 80.668 6.393 -8.596 1.00 0.00 C ATOM 325 O HIS A 25 81.848 6.190 -8.374 1.00 0.00 O ATOM 326 CB HIS A 25 79.794 6.396 -6.268 1.00 0.00 C ATOM 327 CG HIS A 25 78.728 6.915 -5.346 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.775 8.179 -4.782 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.577 6.337 -4.885 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.677 8.320 -4.017 1.00 0.00 C ATOM 331 NE2 HIS A 25 76.910 7.224 -4.044 1.00 0.00 N ATOM 0 H HIS A 25 77.797 6.477 -7.796 1.00 0.00 H new ATOM 0 HA HIS A 25 80.239 8.170 -7.488 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.622 5.338 -6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.767 6.475 -5.783 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.237 5.343 -5.135 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.443 9.209 -3.450 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.028 7.071 -3.555 1.00 0.00 H new ATOM 339 N GLY A 26 80.097 5.936 -9.688 1.00 0.00 N ATOM 340 CA GLY A 26 80.895 5.152 -10.680 1.00 0.00 C ATOM 341 C GLY A 26 82.142 5.930 -11.095 1.00 0.00 C ATOM 342 O GLY A 26 82.071 7.068 -11.519 1.00 0.00 O ATOM 0 H GLY A 26 79.116 6.073 -9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.184 4.194 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.285 4.936 -11.557 1.00 0.00 H new ATOM 346 N LEU A 27 83.276 5.301 -10.995 1.00 0.00 N ATOM 347 CA LEU A 27 84.548 5.961 -11.401 1.00 0.00 C ATOM 348 C LEU A 27 84.965 5.486 -12.803 1.00 0.00 C ATOM 349 O LEU A 27 85.918 5.983 -13.368 1.00 0.00 O ATOM 350 CB LEU A 27 85.575 5.537 -10.348 1.00 0.00 C ATOM 351 CG LEU A 27 85.246 6.216 -9.015 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.106 5.614 -7.903 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.535 7.716 -9.124 1.00 0.00 C ATOM 0 H LEU A 27 83.379 4.348 -10.646 1.00 0.00 H new ATOM 0 HA LEU A 27 84.455 7.046 -11.452 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.565 4.454 -10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.579 5.813 -10.671 1.00 0.00 H new ATOM 0 HG LEU A 27 84.193 6.061 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.869 6.100 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 27 85.903 4.546 -7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.160 5.767 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.302 8.201 -8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.588 7.867 -9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.921 8.148 -9.914 1.00 0.00 H new ATOM 365 N MET A 28 84.250 4.540 -13.373 1.00 0.00 N ATOM 366 CA MET A 28 84.590 4.050 -14.742 1.00 0.00 C ATOM 367 C MET A 28 84.437 5.189 -15.752 1.00 0.00 C ATOM 368 O MET A 28 85.192 5.302 -16.699 1.00 0.00 O ATOM 369 CB MET A 28 83.584 2.933 -15.040 1.00 0.00 C ATOM 370 CG MET A 28 83.855 2.353 -16.431 1.00 0.00 C ATOM 371 SD MET A 28 82.593 1.118 -16.829 1.00 0.00 S ATOM 372 CE MET A 28 83.212 -0.192 -15.748 1.00 0.00 C ATOM 0 H MET A 28 83.443 4.088 -12.943 1.00 0.00 H new ATOM 0 HA MET A 28 85.617 3.691 -14.807 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.663 2.149 -14.287 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.567 3.323 -14.990 1.00 0.00 H new ATOM 0 HG2 MET A 28 83.847 3.149 -17.176 1.00 0.00 H new ATOM 0 HG3 MET A 28 84.845 1.898 -16.460 1.00 0.00 H new ATOM 0 HE1 MET A 28 82.891 -1.161 -16.130 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.301 -0.156 -15.720 1.00 0.00 H new ATOM 0 HE3 MET A 28 82.818 -0.050 -14.742 1.00 0.00 H new ATOM 382 N ALA A 29 83.437 6.018 -15.567 1.00 0.00 N ATOM 383 CA ALA A 29 83.189 7.144 -16.524 1.00 0.00 C ATOM 384 C ALA A 29 84.468 7.950 -16.788 1.00 0.00 C ATOM 385 O ALA A 29 85.064 7.844 -17.843 1.00 0.00 O ATOM 386 CB ALA A 29 82.137 8.020 -15.842 1.00 0.00 C ATOM 0 H ALA A 29 82.778 5.963 -14.790 1.00 0.00 H new ATOM 0 HA ALA A 29 82.858 6.775 -17.495 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.901 8.870 -16.482 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.234 7.435 -15.667 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.526 8.380 -14.890 1.00 0.00 H new ATOM 392 N GLN A 30 84.899 8.743 -15.837 1.00 0.00 N ATOM 393 CA GLN A 30 86.148 9.542 -16.037 1.00 0.00 C ATOM 394 C GLN A 30 87.365 8.622 -16.045 1.00 0.00 C ATOM 395 O GLN A 30 88.300 8.809 -16.801 1.00 0.00 O ATOM 396 CB GLN A 30 86.218 10.484 -14.839 1.00 0.00 C ATOM 397 CG GLN A 30 85.120 11.533 -14.956 1.00 0.00 C ATOM 398 CD GLN A 30 85.035 12.340 -13.657 1.00 0.00 C ATOM 399 OE1 GLN A 30 85.497 11.901 -12.621 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.460 13.511 -13.668 1.00 0.00 N ATOM 0 H GLN A 30 84.442 8.871 -14.934 1.00 0.00 H new ATOM 0 HA GLN A 30 86.139 10.081 -16.984 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.102 9.921 -13.913 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.195 10.967 -14.798 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.327 12.197 -15.795 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.164 11.051 -15.159 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.072 13.881 -14.536 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.398 14.057 -12.809 1.00 0.00 H new ATOM 409 N TYR A 31 87.364 7.645 -15.178 1.00 0.00 N ATOM 410 CA TYR A 31 88.524 6.710 -15.084 1.00 0.00 C ATOM 411 C TYR A 31 88.057 5.272 -15.358 1.00 0.00 C ATOM 412 O TYR A 31 87.677 4.572 -14.439 1.00 0.00 O ATOM 413 CB TYR A 31 89.030 6.824 -13.635 1.00 0.00 C ATOM 414 CG TYR A 31 89.210 8.278 -13.246 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.418 8.936 -13.506 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.158 8.964 -12.628 1.00 0.00 C ATOM 417 CE1 TYR A 31 90.572 10.281 -13.145 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.312 10.307 -12.267 1.00 0.00 C ATOM 419 CZ TYR A 31 89.519 10.966 -12.525 1.00 0.00 C ATOM 420 OH TYR A 31 89.671 12.290 -12.171 1.00 0.00 O ATOM 0 H TYR A 31 86.604 7.453 -14.526 1.00 0.00 H new ATOM 0 HA TYR A 31 89.302 6.953 -15.808 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.322 6.346 -12.958 1.00 0.00 H new ATOM 0 HB3 TYR A 31 89.977 6.294 -13.532 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.230 8.408 -13.984 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.226 8.456 -12.429 1.00 0.00 H new ATOM 0 HE1 TYR A 31 91.503 10.790 -13.345 1.00 0.00 H new ATOM 0 HE2 TYR A 31 87.500 10.835 -11.789 1.00 0.00 H new ATOM 0 HH TYR A 31 88.846 12.614 -11.753 1.00 0.00 H new ATOM 430 N PRO A 32 88.087 4.865 -16.609 1.00 0.00 N ATOM 431 CA PRO A 32 87.642 3.491 -16.952 1.00 0.00 C ATOM 432 C PRO A 32 88.663 2.444 -16.474 1.00 0.00 C ATOM 433 O PRO A 32 88.391 1.258 -16.500 1.00 0.00 O ATOM 434 CB PRO A 32 87.541 3.512 -18.475 1.00 0.00 C ATOM 435 CG PRO A 32 88.469 4.599 -18.912 1.00 0.00 C ATOM 436 CD PRO A 32 88.525 5.614 -17.798 1.00 0.00 C ATOM 0 HA PRO A 32 86.701 3.219 -16.474 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.830 2.552 -18.902 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.520 3.711 -18.800 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.462 4.198 -19.117 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.115 5.059 -19.834 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.532 6.011 -17.671 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.871 6.462 -17.998 1.00 0.00 H new ATOM 444 N THR A 33 89.828 2.866 -16.039 1.00 0.00 N ATOM 445 CA THR A 33 90.852 1.888 -15.562 1.00 0.00 C ATOM 446 C THR A 33 91.390 2.306 -14.190 1.00 0.00 C ATOM 447 O THR A 33 91.572 3.477 -13.913 1.00 0.00 O ATOM 448 CB THR A 33 91.966 1.936 -16.605 1.00 0.00 C ATOM 449 OG1 THR A 33 91.413 1.728 -17.898 1.00 0.00 O ATOM 450 CG2 THR A 33 92.992 0.844 -16.304 1.00 0.00 C ATOM 0 H THR A 33 90.111 3.845 -15.995 1.00 0.00 H new ATOM 0 HA THR A 33 90.439 0.886 -15.450 1.00 0.00 H new ATOM 0 HB THR A 33 92.454 2.910 -16.573 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.127 1.760 -18.568 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.788 0.877 -17.048 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.415 1.006 -15.313 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.506 -0.131 -16.336 1.00 0.00 H new ATOM 458 N LEU A 34 91.638 1.351 -13.331 1.00 0.00 N ATOM 459 CA LEU A 34 92.161 1.672 -11.965 1.00 0.00 C ATOM 460 C LEU A 34 93.604 2.178 -12.051 1.00 0.00 C ATOM 461 O LEU A 34 94.483 1.465 -12.501 1.00 0.00 O ATOM 462 CB LEU A 34 92.126 0.335 -11.215 1.00 0.00 C ATOM 463 CG LEU A 34 92.604 0.529 -9.772 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.547 1.308 -8.981 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.823 -0.839 -9.121 1.00 0.00 C ATOM 0 H LEU A 34 91.501 0.357 -13.516 1.00 0.00 H new ATOM 0 HA LEU A 34 91.575 2.448 -11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.113 -0.067 -11.220 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.760 -0.392 -11.722 1.00 0.00 H new ATOM 0 HG LEU A 34 93.540 1.087 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 34 91.888 1.445 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.390 2.282 -9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.610 0.751 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.163 -0.703 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.886 -1.397 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.576 -1.393 -9.682 1.00 0.00 H new ATOM 477 N GLY A 35 93.864 3.385 -11.619 1.00 0.00 N ATOM 478 CA GLY A 35 95.265 3.910 -11.675 1.00 0.00 C ATOM 479 C GLY A 35 95.274 5.436 -11.833 1.00 0.00 C ATOM 480 O GLY A 35 96.165 5.990 -12.450 1.00 0.00 O ATOM 0 H GLY A 35 93.173 4.028 -11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.798 3.632 -10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.796 3.451 -12.509 1.00 0.00 H new ATOM 484 N GLU A 36 94.305 6.121 -11.277 1.00 0.00 N ATOM 485 CA GLU A 36 94.273 7.605 -11.391 1.00 0.00 C ATOM 486 C GLU A 36 93.448 8.202 -10.250 1.00 0.00 C ATOM 487 O GLU A 36 93.862 9.155 -9.615 1.00 0.00 O ATOM 488 CB GLU A 36 93.625 7.878 -12.741 1.00 0.00 C ATOM 489 CG GLU A 36 93.760 9.365 -13.083 1.00 0.00 C ATOM 490 CD GLU A 36 93.341 9.620 -14.539 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.135 8.658 -15.265 1.00 0.00 O1- ATOM 492 OE2 GLU A 36 93.237 10.779 -14.905 1.00 0.00 O ATOM 0 H GLU A 36 93.535 5.712 -10.749 1.00 0.00 H new ATOM 0 HA GLU A 36 95.264 8.054 -11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.100 7.272 -13.513 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.573 7.594 -12.715 1.00 0.00 H new ATOM 0 HG2 GLU A 36 93.140 9.957 -12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 36 94.790 9.687 -12.933 1.00 0.00 H new ATOM 499 N VAL A 37 92.298 7.638 -9.962 1.00 0.00 N ATOM 500 CA VAL A 37 91.473 8.169 -8.832 1.00 0.00 C ATOM 501 C VAL A 37 92.273 7.975 -7.519 1.00 0.00 C ATOM 502 O VAL A 37 92.592 8.941 -6.854 1.00 0.00 O ATOM 503 CB VAL A 37 90.153 7.362 -8.888 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.477 7.288 -7.511 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.199 8.044 -9.870 1.00 0.00 C ATOM 0 H VAL A 37 91.899 6.840 -10.456 1.00 0.00 H new ATOM 0 HA VAL A 37 91.245 9.233 -8.891 1.00 0.00 H new ATOM 0 HB VAL A 37 90.386 6.347 -9.209 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.554 6.714 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.147 6.802 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.249 8.296 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.265 7.484 -9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 37 88.996 9.061 -9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.655 8.074 -10.859 1.00 0.00 H new ATOM 515 N PRO A 38 92.613 6.739 -7.209 1.00 0.00 N ATOM 516 CA PRO A 38 93.430 6.462 -5.998 1.00 0.00 C ATOM 517 C PRO A 38 94.893 6.820 -6.274 1.00 0.00 C ATOM 518 O PRO A 38 95.649 7.158 -5.384 1.00 0.00 O ATOM 519 CB PRO A 38 93.310 4.952 -5.819 1.00 0.00 C ATOM 520 CG PRO A 38 93.016 4.421 -7.183 1.00 0.00 C ATOM 521 CD PRO A 38 92.278 5.497 -7.929 1.00 0.00 C ATOM 0 HA PRO A 38 93.105 7.029 -5.126 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.232 4.528 -5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.514 4.700 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.938 4.158 -7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.415 3.514 -7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.593 5.545 -8.971 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.203 5.315 -7.929 1.00 0.00 H new ATOM 529 N GLY A 39 95.292 6.710 -7.514 1.00 0.00 N ATOM 530 CA GLY A 39 96.699 6.994 -7.906 1.00 0.00 C ATOM 531 C GLY A 39 97.201 5.780 -8.685 1.00 0.00 C ATOM 532 O GLY A 39 97.499 5.862 -9.859 1.00 0.00 O ATOM 0 H GLY A 39 94.687 6.429 -8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.754 7.894 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.317 7.169 -7.025 1.00 0.00 H new ATOM 536 N PHE A 40 97.230 4.643 -8.021 1.00 0.00 N ATOM 537 CA PHE A 40 97.641 3.330 -8.641 1.00 0.00 C ATOM 538 C PHE A 40 97.935 2.291 -7.529 1.00 0.00 C ATOM 539 O PHE A 40 97.374 1.214 -7.550 1.00 0.00 O ATOM 540 CB PHE A 40 98.876 3.569 -9.565 1.00 0.00 C ATOM 541 CG PHE A 40 99.564 2.257 -9.925 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.806 1.098 -10.163 1.00 0.00 C ATOM 543 CD2 PHE A 40 100.960 2.208 -10.023 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.445 -0.102 -10.495 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.597 1.007 -10.357 1.00 0.00 C ATOM 546 CZ PHE A 40 100.840 -0.148 -10.591 1.00 0.00 C ATOM 0 H PHE A 40 96.976 4.567 -7.036 1.00 0.00 H new ATOM 0 HA PHE A 40 96.833 2.928 -9.252 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.558 4.077 -10.476 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.585 4.228 -9.064 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.729 1.133 -10.090 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.545 3.097 -9.841 1.00 0.00 H new ATOM 0 HE1 PHE A 40 98.861 -0.992 -10.677 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.674 0.971 -10.434 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.333 -1.074 -10.846 1.00 0.00 H new ATOM 556 N PRO A 41 98.819 2.623 -6.600 1.00 0.00 N ATOM 557 CA PRO A 41 99.183 1.691 -5.514 1.00 0.00 C ATOM 558 C PRO A 41 98.484 2.064 -4.196 1.00 0.00 C ATOM 559 O PRO A 41 98.837 1.563 -3.144 1.00 0.00 O ATOM 560 CB PRO A 41 100.682 1.947 -5.380 1.00 0.00 C ATOM 561 CG PRO A 41 100.897 3.356 -5.885 1.00 0.00 C ATOM 562 CD PRO A 41 99.579 3.857 -6.435 1.00 0.00 C ATOM 0 HA PRO A 41 98.904 0.658 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.006 1.847 -4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.257 1.228 -5.964 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.245 4.002 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.664 3.371 -6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.089 4.547 -5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.707 4.384 -7.380 1.00 0.00 H new ATOM 570 N ASN A 42 97.520 2.949 -4.237 1.00 0.00 N ATOM 571 CA ASN A 42 96.826 3.369 -2.984 1.00 0.00 C ATOM 572 C ASN A 42 95.346 2.995 -3.054 1.00 0.00 C ATOM 573 O ASN A 42 94.496 3.669 -2.506 1.00 0.00 O ATOM 574 CB ASN A 42 96.992 4.889 -2.948 1.00 0.00 C ATOM 575 CG ASN A 42 98.470 5.238 -2.760 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.150 5.582 -3.706 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.000 5.167 -1.570 1.00 0.00 N ATOM 0 H ASN A 42 97.183 3.400 -5.088 1.00 0.00 H new ATOM 0 HA ASN A 42 97.233 2.887 -2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 42 96.619 5.328 -3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.402 5.311 -2.134 1.00 0.00 H new ATOM 0 HD21 ASN A 42 99.984 5.400 -1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.431 4.878 -0.774 1.00 0.00 H new ATOM 584 N VAL A 43 95.042 1.929 -3.740 1.00 0.00 N ATOM 585 CA VAL A 43 93.624 1.494 -3.878 1.00 0.00 C ATOM 586 C VAL A 43 93.370 0.196 -3.099 1.00 0.00 C ATOM 587 O VAL A 43 94.187 -0.709 -3.083 1.00 0.00 O ATOM 588 CB VAL A 43 93.428 1.288 -5.384 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.335 0.157 -5.899 1.00 0.00 C ATOM 590 CG2 VAL A 43 91.965 0.944 -5.648 1.00 0.00 C ATOM 0 H VAL A 43 95.722 1.335 -4.215 1.00 0.00 H new ATOM 0 HA VAL A 43 92.925 2.225 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 43 93.696 2.204 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.181 0.026 -6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.378 0.413 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.090 -0.770 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.813 0.795 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.704 0.030 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.331 1.760 -5.302 1.00 0.00 H new ATOM 600 N GLY A 44 92.233 0.114 -2.454 1.00 0.00 N ATOM 601 CA GLY A 44 91.889 -1.105 -1.665 1.00 0.00 C ATOM 602 C GLY A 44 90.405 -1.072 -1.279 1.00 0.00 C ATOM 603 O GLY A 44 89.716 -0.098 -1.511 1.00 0.00 O ATOM 0 H GLY A 44 91.524 0.847 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.102 -2.000 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.507 -1.155 -0.768 1.00 0.00 H new ATOM 607 N GLY A 45 89.912 -2.134 -0.688 1.00 0.00 N ATOM 608 CA GLY A 45 88.474 -2.185 -0.284 1.00 0.00 C ATOM 609 C GLY A 45 88.322 -1.749 1.176 1.00 0.00 C ATOM 610 O GLY A 45 89.277 -1.732 1.928 1.00 0.00 O ATOM 0 H GLY A 45 90.449 -2.973 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 45 87.884 -1.534 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.088 -3.196 -0.412 1.00 0.00 H new ATOM 614 N ILE A 46 87.118 -1.426 1.581 1.00 0.00 N ATOM 615 CA ILE A 46 86.865 -1.008 2.997 1.00 0.00 C ATOM 616 C ILE A 46 85.397 -1.306 3.379 1.00 0.00 C ATOM 617 O ILE A 46 84.573 -1.528 2.514 1.00 0.00 O ATOM 618 CB ILE A 46 87.165 0.502 3.065 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.446 1.252 1.931 1.00 0.00 C ATOM 620 CG2 ILE A 46 88.674 0.727 2.952 1.00 0.00 C ATOM 621 CD1 ILE A 46 85.462 2.260 2.526 1.00 0.00 C ATOM 0 H ILE A 46 86.290 -1.434 0.985 1.00 0.00 H new ATOM 0 HA ILE A 46 87.495 -1.554 3.700 1.00 0.00 H new ATOM 0 HB ILE A 46 86.804 0.887 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.174 1.766 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.916 0.545 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 46 88.887 1.795 3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.180 0.219 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.031 0.328 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.953 2.791 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 46 84.727 1.735 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.003 2.974 3.146 1.00 0.00 H new ATOM 633 N PRO A 47 85.119 -1.329 4.669 1.00 0.00 N ATOM 634 CA PRO A 47 83.738 -1.637 5.168 1.00 0.00 C ATOM 635 C PRO A 47 82.693 -0.558 4.823 1.00 0.00 C ATOM 636 O PRO A 47 81.507 -0.808 4.928 1.00 0.00 O ATOM 637 CB PRO A 47 83.922 -1.694 6.685 1.00 0.00 C ATOM 638 CG PRO A 47 85.126 -0.859 6.955 1.00 0.00 C ATOM 639 CD PRO A 47 86.045 -1.076 5.790 1.00 0.00 C ATOM 0 HA PRO A 47 83.357 -2.550 4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.046 -1.305 7.204 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.066 -2.719 7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 47 84.858 0.193 7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 47 85.604 -1.153 7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 47 86.672 -0.204 5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 47 86.714 -1.920 5.957 1.00 0.00 H new ATOM 647 N ASP A 48 83.093 0.638 4.457 1.00 0.00 N ATOM 648 CA ASP A 48 82.077 1.708 4.165 1.00 0.00 C ATOM 649 C ASP A 48 81.624 1.723 2.693 1.00 0.00 C ATOM 650 O ASP A 48 81.011 2.676 2.247 1.00 0.00 O ATOM 651 CB ASP A 48 82.757 3.028 4.537 1.00 0.00 C ATOM 652 CG ASP A 48 82.901 3.134 6.061 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.166 2.458 6.763 1.00 0.00 O ATOM 654 OD2 ASP A 48 83.746 3.896 6.501 1.00 0.00 O1- ATOM 0 H ASP A 48 84.067 0.920 4.348 1.00 0.00 H new ATOM 0 HA ASP A 48 81.166 1.531 4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 48 83.738 3.086 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.172 3.867 4.160 1.00 0.00 H new ATOM 659 N ILE A 49 81.882 0.679 1.948 1.00 0.00 N ATOM 660 CA ILE A 49 81.423 0.634 0.518 1.00 0.00 C ATOM 661 C ILE A 49 80.270 -0.370 0.423 1.00 0.00 C ATOM 662 O ILE A 49 80.413 -1.520 0.792 1.00 0.00 O ATOM 663 CB ILE A 49 82.636 0.161 -0.302 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.847 1.052 -0.002 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.327 0.218 -1.800 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.558 2.519 -0.362 1.00 0.00 C ATOM 0 H ILE A 49 82.391 -0.147 2.264 1.00 0.00 H new ATOM 0 HA ILE A 49 81.071 1.597 0.150 1.00 0.00 H new ATOM 0 HB ILE A 49 82.859 -0.869 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.104 0.978 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.710 0.699 -0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.196 -0.120 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.477 -0.428 -2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 49 82.087 1.243 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.434 3.128 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.325 2.594 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 49 82.710 2.876 0.222 1.00 0.00 H new ATOM 678 N ALA A 50 79.121 0.058 -0.046 1.00 0.00 N ATOM 679 CA ALA A 50 77.951 -0.871 -0.137 1.00 0.00 C ATOM 680 C ALA A 50 78.078 -1.821 -1.321 1.00 0.00 C ATOM 681 O ALA A 50 77.837 -3.008 -1.188 1.00 0.00 O ATOM 682 CB ALA A 50 76.731 0.035 -0.304 1.00 0.00 C ATOM 0 H ALA A 50 78.944 1.009 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 50 77.879 -1.503 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.831 -0.576 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.650 0.698 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.841 0.630 -1.211 1.00 0.00 H new ATOM 688 N GLY A 51 78.443 -1.326 -2.475 1.00 0.00 N ATOM 689 CA GLY A 51 78.561 -2.236 -3.644 1.00 0.00 C ATOM 690 C GLY A 51 78.662 -1.442 -4.947 1.00 0.00 C ATOM 691 O GLY A 51 79.490 -0.569 -5.108 1.00 0.00 O ATOM 0 H GLY A 51 78.661 -0.346 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.441 -2.868 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.696 -2.898 -3.683 1.00 0.00 H new ATOM 695 N TRP A 52 77.820 -1.775 -5.886 1.00 0.00 N ATOM 696 CA TRP A 52 77.820 -1.104 -7.225 1.00 0.00 C ATOM 697 C TRP A 52 77.835 0.427 -7.124 1.00 0.00 C ATOM 698 O TRP A 52 78.294 1.095 -8.036 1.00 0.00 O ATOM 699 CB TRP A 52 76.514 -1.554 -7.885 1.00 0.00 C ATOM 700 CG TRP A 52 76.499 -1.106 -9.313 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.213 -1.678 -10.308 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.753 -0.010 -9.920 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.955 -1.002 -11.488 1.00 0.00 N ATOM 704 CE2 TRP A 52 76.061 0.034 -11.300 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.849 0.941 -9.413 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.492 0.987 -12.146 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.275 1.901 -10.262 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.596 1.923 -11.626 1.00 0.00 C ATOM 0 H TRP A 52 77.113 -2.502 -5.782 1.00 0.00 H new ATOM 0 HA TRP A 52 78.714 -1.375 -7.786 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.422 -2.639 -7.832 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.661 -1.135 -7.352 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.876 -2.524 -10.200 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.374 -1.240 -12.387 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.595 0.933 -8.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.743 1.000 -13.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.582 2.626 -9.862 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.151 2.663 -12.274 1.00 0.00 H new ATOM 719 N ASP A 53 77.340 0.995 -6.047 1.00 0.00 N ATOM 720 CA ASP A 53 77.328 2.485 -5.936 1.00 0.00 C ATOM 721 C ASP A 53 77.506 2.939 -4.481 1.00 0.00 C ATOM 722 O ASP A 53 76.628 3.549 -3.899 1.00 0.00 O ATOM 723 CB ASP A 53 75.951 2.895 -6.458 1.00 0.00 C ATOM 724 CG ASP A 53 76.039 4.286 -7.084 1.00 0.00 C ATOM 725 OD1 ASP A 53 76.783 4.437 -8.039 1.00 0.00 O1- ATOM 726 OD2 ASP A 53 75.365 5.178 -6.597 1.00 0.00 O ATOM 0 H ASP A 53 76.948 0.494 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 53 78.145 2.940 -6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.600 2.174 -7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.227 2.896 -5.644 1.00 0.00 H new ATOM 731 N SER A 54 78.629 2.635 -3.889 1.00 0.00 N ATOM 732 CA SER A 54 78.870 3.032 -2.464 1.00 0.00 C ATOM 733 C SER A 54 78.893 4.564 -2.318 1.00 0.00 C ATOM 734 O SER A 54 79.407 5.251 -3.177 1.00 0.00 O ATOM 735 CB SER A 54 80.233 2.447 -2.117 1.00 0.00 C ATOM 736 OG SER A 54 81.116 2.652 -3.209 1.00 0.00 O ATOM 0 H SER A 54 79.396 2.127 -4.330 1.00 0.00 H new ATOM 0 HA SER A 54 78.083 2.668 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.629 2.921 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.142 1.382 -1.901 1.00 0.00 H new ATOM 0 HG SER A 54 81.223 1.814 -3.705 1.00 0.00 H new ATOM 742 N PRO A 55 78.334 5.059 -1.229 1.00 0.00 N ATOM 743 CA PRO A 55 78.301 6.523 -1.002 1.00 0.00 C ATOM 744 C PRO A 55 79.636 7.039 -0.446 1.00 0.00 C ATOM 745 O PRO A 55 79.944 8.212 -0.554 1.00 0.00 O ATOM 746 CB PRO A 55 77.189 6.701 0.025 1.00 0.00 C ATOM 747 CG PRO A 55 77.100 5.398 0.756 1.00 0.00 C ATOM 748 CD PRO A 55 77.687 4.325 -0.129 1.00 0.00 C ATOM 0 HA PRO A 55 78.132 7.081 -1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.415 7.519 0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.243 6.943 -0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.643 5.453 1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.063 5.167 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.406 3.713 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.914 3.653 -0.502 1.00 0.00 H new ATOM 756 N SER A 56 80.424 6.179 0.153 1.00 0.00 N ATOM 757 CA SER A 56 81.733 6.629 0.724 1.00 0.00 C ATOM 758 C SER A 56 82.881 6.396 -0.269 1.00 0.00 C ATOM 759 O SER A 56 84.040 6.499 0.089 1.00 0.00 O ATOM 760 CB SER A 56 81.936 5.788 1.988 1.00 0.00 C ATOM 761 OG SER A 56 80.781 5.894 2.811 1.00 0.00 O ATOM 0 H SER A 56 80.218 5.187 0.271 1.00 0.00 H new ATOM 0 HA SER A 56 81.727 7.697 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 56 82.113 4.746 1.721 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.817 6.132 2.531 1.00 0.00 H new ATOM 0 HG SER A 56 80.404 5.002 2.962 1.00 0.00 H new ATOM 767 N CYS A 57 82.577 6.083 -1.506 1.00 0.00 N ATOM 768 CA CYS A 57 83.665 5.851 -2.507 1.00 0.00 C ATOM 769 C CYS A 57 84.332 7.176 -2.883 1.00 0.00 C ATOM 770 O CYS A 57 83.691 8.207 -2.964 1.00 0.00 O ATOM 771 CB CYS A 57 82.975 5.242 -3.730 1.00 0.00 C ATOM 772 SG CYS A 57 84.189 4.334 -4.724 1.00 0.00 S ATOM 0 H CYS A 57 81.628 5.979 -1.864 1.00 0.00 H new ATOM 0 HA CYS A 57 84.443 5.198 -2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 57 82.176 4.572 -3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.514 6.028 -4.329 1.00 0.00 H new ATOM 777 N GLY A 58 85.610 7.141 -3.151 1.00 0.00 N ATOM 778 CA GLY A 58 86.332 8.381 -3.569 1.00 0.00 C ATOM 779 C GLY A 58 86.781 9.194 -2.352 1.00 0.00 C ATOM 780 O GLY A 58 87.012 10.385 -2.453 1.00 0.00 O ATOM 0 H GLY A 58 86.189 6.303 -3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.200 8.114 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.682 8.990 -4.197 1.00 0.00 H new ATOM 784 N THR A 59 86.919 8.569 -1.211 1.00 0.00 N ATOM 785 CA THR A 59 87.367 9.316 0.000 1.00 0.00 C ATOM 786 C THR A 59 88.804 8.882 0.355 1.00 0.00 C ATOM 787 O THR A 59 89.341 7.963 -0.230 1.00 0.00 O ATOM 788 CB THR A 59 86.332 8.955 1.076 1.00 0.00 C ATOM 789 OG1 THR A 59 85.033 9.198 0.553 1.00 0.00 O ATOM 790 CG2 THR A 59 86.529 9.822 2.328 1.00 0.00 C ATOM 0 H THR A 59 86.741 7.575 -1.067 1.00 0.00 H new ATOM 0 HA THR A 59 87.412 10.398 -0.126 1.00 0.00 H new ATOM 0 HB THR A 59 86.453 7.907 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.595 8.344 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.786 9.551 3.079 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.528 9.658 2.731 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.412 10.873 2.065 1.00 0.00 H new ATOM 798 N CYS A 60 89.439 9.565 1.279 1.00 0.00 N ATOM 799 CA CYS A 60 90.867 9.233 1.641 1.00 0.00 C ATOM 800 C CYS A 60 91.069 8.806 3.116 1.00 0.00 C ATOM 801 O CYS A 60 90.424 9.318 4.009 1.00 0.00 O ATOM 802 CB CYS A 60 91.585 10.568 1.434 1.00 0.00 C ATOM 803 SG CYS A 60 92.159 10.700 -0.275 1.00 0.00 S ATOM 0 H CYS A 60 89.034 10.341 1.803 1.00 0.00 H new ATOM 0 HA CYS A 60 91.223 8.392 1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.911 11.393 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.430 10.646 2.118 1.00 0.00 H new ATOM 808 N TRP A 61 92.027 7.931 3.379 1.00 0.00 N ATOM 809 CA TRP A 61 92.345 7.541 4.803 1.00 0.00 C ATOM 810 C TRP A 61 93.842 7.311 4.964 1.00 0.00 C ATOM 811 O TRP A 61 94.508 6.850 4.055 1.00 0.00 O ATOM 812 CB TRP A 61 91.651 6.213 5.112 1.00 0.00 C ATOM 813 CG TRP A 61 90.231 6.452 5.442 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.236 6.103 4.646 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.618 7.037 6.634 1.00 0.00 C ATOM 816 NE1 TRP A 61 88.043 6.526 5.196 1.00 0.00 N ATOM 817 CE2 TRP A 61 88.219 7.069 6.436 1.00 0.00 C ATOM 818 CE3 TRP A 61 90.121 7.550 7.837 1.00 0.00 C ATOM 819 CZ2 TRP A 61 87.348 7.591 7.381 1.00 0.00 C ATOM 820 CZ3 TRP A 61 89.245 8.072 8.808 1.00 0.00 C ATOM 821 CH2 TRP A 61 87.858 8.093 8.577 1.00 0.00 C ATOM 0 H TRP A 61 92.600 7.472 2.671 1.00 0.00 H new ATOM 0 HA TRP A 61 92.011 8.338 5.468 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.726 5.545 4.254 1.00 0.00 H new ATOM 0 HB3 TRP A 61 92.149 5.718 5.946 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.340 5.571 3.712 1.00 0.00 H new ATOM 0 HE1 TRP A 61 87.139 6.443 4.732 1.00 0.00 H new ATOM 0 HE3 TRP A 61 91.185 7.545 8.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 86.285 7.608 7.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 89.641 8.459 9.736 1.00 0.00 H new ATOM 0 HH2 TRP A 61 87.190 8.497 9.324 1.00 0.00 H new ATOM 832 N LYS A 62 94.358 7.566 6.131 1.00 0.00 N ATOM 833 CA LYS A 62 95.796 7.296 6.387 1.00 0.00 C ATOM 834 C LYS A 62 95.862 5.988 7.168 1.00 0.00 C ATOM 835 O LYS A 62 95.135 5.809 8.125 1.00 0.00 O ATOM 836 CB LYS A 62 96.305 8.471 7.225 1.00 0.00 C ATOM 837 CG LYS A 62 97.826 8.365 7.375 1.00 0.00 C ATOM 838 CD LYS A 62 98.345 9.535 8.213 1.00 0.00 C ATOM 839 CE LYS A 62 98.198 9.203 9.698 1.00 0.00 C ATOM 840 NZ LYS A 62 98.278 10.517 10.396 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.843 7.952 6.922 1.00 0.00 H new ATOM 0 HA LYS A 62 96.399 7.203 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 62 96.040 9.415 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.830 8.466 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 62 98.089 7.420 7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.299 8.371 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 62 99.390 9.731 7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.789 10.442 7.975 1.00 0.00 H new ATOM 0 HE2 LYS A 62 97.249 8.706 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 62 98.987 8.530 10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 98.151 10.375 11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.208 10.948 10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 97.531 11.146 10.038 1.00 0.00 H new ATOM 854 N VAL A 63 96.694 5.067 6.762 1.00 0.00 N ATOM 855 CA VAL A 63 96.762 3.760 7.485 1.00 0.00 C ATOM 856 C VAL A 63 98.070 3.673 8.265 1.00 0.00 C ATOM 857 O VAL A 63 99.134 3.846 7.717 1.00 0.00 O ATOM 858 CB VAL A 63 96.696 2.689 6.390 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.759 1.297 7.023 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.381 2.828 5.613 1.00 0.00 C ATOM 0 H VAL A 63 97.326 5.160 5.967 1.00 0.00 H new ATOM 0 HA VAL A 63 95.954 3.635 8.206 1.00 0.00 H new ATOM 0 HB VAL A 63 97.540 2.820 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.712 0.539 6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.692 1.190 7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.918 1.169 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.336 2.066 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.540 2.701 6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.331 3.816 5.156 1.00 0.00 H new ATOM 870 N THR A 64 97.981 3.440 9.547 1.00 0.00 N ATOM 871 CA THR A 64 99.200 3.370 10.405 1.00 0.00 C ATOM 872 C THR A 64 99.330 1.997 11.085 1.00 0.00 C ATOM 873 O THR A 64 98.393 1.501 11.695 1.00 0.00 O ATOM 874 CB THR A 64 98.972 4.467 11.449 1.00 0.00 C ATOM 875 OG1 THR A 64 98.845 5.718 10.789 1.00 0.00 O ATOM 876 CG2 THR A 64 100.157 4.524 12.419 1.00 0.00 C ATOM 0 H THR A 64 97.102 3.293 10.044 1.00 0.00 H new ATOM 0 HA THR A 64 100.118 3.505 9.833 1.00 0.00 H new ATOM 0 HB THR A 64 98.063 4.247 12.009 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.697 6.424 11.452 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.985 5.307 13.157 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.259 3.564 12.925 1.00 0.00 H new ATOM 0 HG23 THR A 64 101.070 4.741 11.865 1.00 0.00 H new ATOM 884 N ILE A 65 100.490 1.389 10.985 1.00 0.00 N ATOM 885 CA ILE A 65 100.708 0.043 11.617 1.00 0.00 C ATOM 886 C ILE A 65 101.605 0.172 12.869 1.00 0.00 C ATOM 887 O ILE A 65 102.210 1.204 13.081 1.00 0.00 O ATOM 888 CB ILE A 65 101.379 -0.813 10.528 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.655 -0.126 10.025 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.412 -1.000 9.357 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.578 -1.165 9.385 1.00 0.00 C ATOM 0 H ILE A 65 101.299 1.767 10.492 1.00 0.00 H new ATOM 0 HA ILE A 65 99.776 -0.409 11.957 1.00 0.00 H new ATOM 0 HB ILE A 65 101.639 -1.783 10.952 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.402 0.647 9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.165 0.368 10.852 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.887 -1.606 8.586 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.509 -1.501 9.707 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.150 -0.027 8.943 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.484 -0.676 9.028 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.841 -1.922 10.124 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.067 -1.638 8.547 1.00 0.00 H new ATOM 903 N PRO A 66 101.647 -0.876 13.678 1.00 0.00 N ATOM 904 CA PRO A 66 102.463 -0.851 14.932 1.00 0.00 C ATOM 905 C PRO A 66 103.966 -0.715 14.655 1.00 0.00 C ATOM 906 O PRO A 66 104.701 -0.188 15.471 1.00 0.00 O ATOM 907 CB PRO A 66 102.156 -2.204 15.581 1.00 0.00 C ATOM 908 CG PRO A 66 101.720 -3.073 14.455 1.00 0.00 C ATOM 909 CD PRO A 66 100.962 -2.176 13.520 1.00 0.00 C ATOM 0 HA PRO A 66 102.216 0.005 15.560 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.035 -2.613 16.079 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.375 -2.113 16.336 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.576 -3.525 13.955 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.091 -3.889 14.811 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.008 -2.534 12.491 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.908 -2.112 13.788 1.00 0.00 H new ATOM 917 N ASN A 67 104.431 -1.172 13.520 1.00 0.00 N ATOM 918 CA ASN A 67 105.892 -1.053 13.202 1.00 0.00 C ATOM 919 C ASN A 67 106.278 0.425 13.089 1.00 0.00 C ATOM 920 O ASN A 67 107.323 0.850 13.546 1.00 0.00 O ATOM 921 CB ASN A 67 106.067 -1.762 11.857 1.00 0.00 C ATOM 922 CG ASN A 67 107.537 -1.714 11.433 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.421 -1.681 12.267 1.00 0.00 O ATOM 924 ND2 ASN A 67 107.837 -1.710 10.164 1.00 0.00 N ATOM 0 H ASN A 67 103.866 -1.622 12.800 1.00 0.00 H new ATOM 0 HA ASN A 67 106.525 -1.493 13.973 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.735 -2.797 11.935 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.445 -1.284 11.100 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.813 -1.679 9.871 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.095 -1.738 9.464 1.00 0.00 H new ATOM 931 N GLY A 68 105.417 1.201 12.491 1.00 0.00 N ATOM 932 CA GLY A 68 105.688 2.660 12.342 1.00 0.00 C ATOM 933 C GLY A 68 105.806 3.028 10.864 1.00 0.00 C ATOM 934 O GLY A 68 106.801 3.572 10.428 1.00 0.00 O ATOM 0 H GLY A 68 104.531 0.885 12.096 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.886 3.235 12.804 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.609 2.921 12.864 1.00 0.00 H new ATOM 938 N ASN A 69 104.780 2.766 10.104 1.00 0.00 N ATOM 939 CA ASN A 69 104.783 3.120 8.655 1.00 0.00 C ATOM 940 C ASN A 69 103.345 3.389 8.227 1.00 0.00 C ATOM 941 O ASN A 69 102.425 2.788 8.754 1.00 0.00 O ATOM 942 CB ASN A 69 105.331 1.893 7.922 1.00 0.00 C ATOM 943 CG ASN A 69 106.838 1.771 8.143 1.00 0.00 C ATOM 944 OD1 ASN A 69 107.538 2.761 8.220 1.00 0.00 O ATOM 945 ND2 ASN A 69 107.372 0.585 8.244 1.00 0.00 N ATOM 0 H ASN A 69 103.925 2.314 10.430 1.00 0.00 H new ATOM 0 HA ASN A 69 105.384 4.003 8.438 1.00 0.00 H new ATOM 0 HB2 ASN A 69 104.830 0.994 8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 69 105.118 1.973 6.856 1.00 0.00 H new ATOM 0 HD21 ASN A 69 108.377 0.489 8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.784 -0.246 8.179 1.00 0.00 H new ATOM 952 N SER A 70 103.126 4.285 7.297 1.00 0.00 N ATOM 953 CA SER A 70 101.723 4.562 6.882 1.00 0.00 C ATOM 954 C SER A 70 101.609 4.934 5.405 1.00 0.00 C ATOM 955 O SER A 70 102.514 5.473 4.799 1.00 0.00 O ATOM 956 CB SER A 70 101.262 5.713 7.770 1.00 0.00 C ATOM 957 OG SER A 70 101.351 5.319 9.133 1.00 0.00 O ATOM 0 H SER A 70 103.845 4.826 6.817 1.00 0.00 H new ATOM 0 HA SER A 70 101.104 3.672 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 70 101.879 6.594 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.236 5.988 7.525 1.00 0.00 H new ATOM 0 HG SER A 70 100.523 5.561 9.598 1.00 0.00 H new ATOM 963 N ILE A 71 100.466 4.647 4.841 1.00 0.00 N ATOM 964 CA ILE A 71 100.188 4.960 3.408 1.00 0.00 C ATOM 965 C ILE A 71 98.747 5.461 3.287 1.00 0.00 C ATOM 966 O ILE A 71 97.943 5.245 4.176 1.00 0.00 O ATOM 967 CB ILE A 71 100.365 3.638 2.649 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.462 2.558 3.255 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.823 3.188 2.727 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.516 1.299 2.390 1.00 0.00 C ATOM 0 H ILE A 71 99.692 4.196 5.328 1.00 0.00 H new ATOM 0 HA ILE A 71 100.850 5.729 3.009 1.00 0.00 H new ATOM 0 HB ILE A 71 100.088 3.791 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.785 2.328 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.437 2.922 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.943 2.249 2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.463 3.949 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 71 102.104 3.045 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.873 0.532 2.823 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.172 1.535 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.541 0.931 2.347 1.00 0.00 H new ATOM 982 N PHE A 72 98.407 6.127 2.210 1.00 0.00 N ATOM 983 CA PHE A 72 97.005 6.630 2.072 1.00 0.00 C ATOM 984 C PHE A 72 96.206 5.712 1.144 1.00 0.00 C ATOM 985 O PHE A 72 96.642 5.381 0.060 1.00 0.00 O ATOM 986 CB PHE A 72 97.133 8.025 1.450 1.00 0.00 C ATOM 987 CG PHE A 72 97.949 8.922 2.350 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.490 9.231 3.636 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.167 9.446 1.897 1.00 0.00 C ATOM 990 CE1 PHE A 72 98.248 10.064 4.468 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.925 10.278 2.729 1.00 0.00 C ATOM 992 CZ PHE A 72 99.464 10.587 4.015 1.00 0.00 C ATOM 0 H PHE A 72 99.030 6.342 1.431 1.00 0.00 H new ATOM 0 HA PHE A 72 96.486 6.657 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.606 7.953 0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.143 8.455 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.552 8.827 3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.521 9.208 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.894 10.303 5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.864 10.681 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 72 100.048 11.230 4.657 1.00 0.00 H new ATOM 1002 N ILE A 73 95.045 5.287 1.576 1.00 0.00 N ATOM 1003 CA ILE A 73 94.211 4.373 0.735 1.00 0.00 C ATOM 1004 C ILE A 73 92.895 5.066 0.364 1.00 0.00 C ATOM 1005 O ILE A 73 92.215 5.600 1.224 1.00 0.00 O ATOM 1006 CB ILE A 73 93.943 3.148 1.619 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.273 2.488 2.027 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.089 2.133 0.852 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.061 2.044 0.788 1.00 0.00 C ATOM 0 H ILE A 73 94.637 5.534 2.478 1.00 0.00 H new ATOM 0 HA ILE A 73 94.705 4.098 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 73 93.412 3.471 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 73 95.869 3.190 2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.076 1.628 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 73 92.901 1.265 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.140 2.592 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.617 1.819 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.997 1.580 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.471 1.325 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.276 2.911 0.163 1.00 0.00 H new ATOM 1021 N ARG A 74 92.528 5.072 -0.898 1.00 0.00 N ATOM 1022 CA ARG A 74 91.255 5.736 -1.296 1.00 0.00 C ATOM 1023 C ARG A 74 90.178 4.665 -1.503 1.00 0.00 C ATOM 1024 O ARG A 74 90.410 3.651 -2.131 1.00 0.00 O ATOM 1025 CB ARG A 74 91.585 6.475 -2.598 1.00 0.00 C ATOM 1026 CG ARG A 74 90.432 7.398 -2.996 1.00 0.00 C ATOM 1027 CD ARG A 74 90.789 8.122 -4.298 1.00 0.00 C ATOM 1028 NE ARG A 74 89.731 9.159 -4.468 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.911 10.146 -5.300 1.00 0.00 C ATOM 1030 NH1 ARG A 74 91.009 10.850 -5.251 1.00 0.00 N ATOM 1031 NH2 ARG A 74 88.991 10.432 -6.182 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.055 4.647 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 74 90.871 6.428 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.498 7.057 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.774 5.755 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.517 6.820 -3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.241 8.122 -2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.779 8.575 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.804 7.432 -5.142 1.00 0.00 H new ATOM 0 HE ARG A 74 88.865 9.096 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.727 10.628 -4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 74 91.149 11.622 -5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.132 9.883 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.131 11.204 -6.833 1.00 0.00 H new ATOM 1045 N GLY A 75 89.004 4.881 -0.955 1.00 0.00 N ATOM 1046 CA GLY A 75 87.901 3.876 -1.086 1.00 0.00 C ATOM 1047 C GLY A 75 87.676 3.508 -2.555 1.00 0.00 C ATOM 1048 O GLY A 75 87.883 4.308 -3.446 1.00 0.00 O ATOM 0 H GLY A 75 88.762 5.715 -0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.148 2.981 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 75 86.982 4.280 -0.662 1.00 0.00 H new ATOM 1052 N VAL A 76 87.246 2.298 -2.805 1.00 0.00 N ATOM 1053 CA VAL A 76 86.987 1.842 -4.209 1.00 0.00 C ATOM 1054 C VAL A 76 86.359 0.431 -4.229 1.00 0.00 C ATOM 1055 O VAL A 76 85.626 0.103 -5.135 1.00 0.00 O ATOM 1056 CB VAL A 76 88.352 1.838 -4.921 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.306 0.819 -4.278 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.139 1.487 -6.397 1.00 0.00 C ATOM 0 H VAL A 76 87.060 1.596 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 76 86.280 2.504 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 76 88.802 2.827 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.263 0.837 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.460 1.076 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.873 -0.179 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.100 1.481 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.680 0.501 -6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.486 2.228 -6.857 1.00 0.00 H new ATOM 1068 N ASP A 77 86.629 -0.403 -3.247 1.00 0.00 N ATOM 1069 CA ASP A 77 86.052 -1.783 -3.218 1.00 0.00 C ATOM 1070 C ASP A 77 85.416 -2.040 -1.850 1.00 0.00 C ATOM 1071 O ASP A 77 85.622 -1.291 -0.916 1.00 0.00 O ATOM 1072 CB ASP A 77 87.255 -2.707 -3.408 1.00 0.00 C ATOM 1073 CG ASP A 77 87.702 -2.690 -4.869 1.00 0.00 C ATOM 1074 OD1 ASP A 77 88.528 -1.859 -5.207 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 87.211 -3.509 -5.625 1.00 0.00 O ATOM 0 H ASP A 77 87.233 -0.179 -2.456 1.00 0.00 H new ATOM 0 HA ASP A 77 85.285 -1.935 -3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.075 -2.387 -2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 77 86.994 -3.723 -3.111 1.00 0.00 H new ATOM 1080 N SER A 78 84.646 -3.093 -1.723 1.00 0.00 N ATOM 1081 CA SER A 78 83.997 -3.399 -0.410 1.00 0.00 C ATOM 1082 C SER A 78 84.804 -4.447 0.364 1.00 0.00 C ATOM 1083 O SER A 78 85.539 -5.227 -0.211 1.00 0.00 O ATOM 1084 CB SER A 78 82.616 -3.944 -0.771 1.00 0.00 C ATOM 1085 OG SER A 78 82.766 -5.094 -1.593 1.00 0.00 O ATOM 0 H SER A 78 84.439 -3.754 -2.472 1.00 0.00 H new ATOM 0 HA SER A 78 83.938 -2.519 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.065 -4.199 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.037 -3.182 -1.293 1.00 0.00 H new ATOM 0 HG SER A 78 81.882 -5.448 -1.825 1.00 0.00 H new ATOM 1091 N GLY A 79 84.665 -4.465 1.668 1.00 0.00 N ATOM 1092 CA GLY A 79 85.417 -5.456 2.491 1.00 0.00 C ATOM 1093 C GLY A 79 84.473 -6.141 3.482 1.00 0.00 C ATOM 1094 O GLY A 79 83.626 -5.512 4.087 1.00 0.00 O ATOM 0 H GLY A 79 84.062 -3.834 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.880 -6.201 1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.222 -4.957 3.030 1.00 0.00 H new ATOM 1098 N ARG A 80 84.638 -7.423 3.662 1.00 0.00 N ATOM 1099 CA ARG A 80 83.782 -8.177 4.632 1.00 0.00 C ATOM 1100 C ARG A 80 83.970 -7.621 6.047 1.00 0.00 C ATOM 1101 O ARG A 80 83.030 -7.496 6.810 1.00 0.00 O ATOM 1102 CB ARG A 80 84.288 -9.619 4.572 1.00 0.00 C ATOM 1103 CG ARG A 80 83.911 -10.243 3.227 1.00 0.00 C ATOM 1104 CD ARG A 80 84.421 -11.686 3.176 1.00 0.00 C ATOM 1105 NE ARG A 80 84.077 -12.167 1.810 1.00 0.00 N ATOM 1106 CZ ARG A 80 84.818 -11.823 0.791 1.00 0.00 C ATOM 1107 NH1 ARG A 80 85.937 -12.452 0.555 1.00 0.00 N ATOM 1108 NH2 ARG A 80 84.440 -10.848 0.010 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.334 -7.988 3.176 1.00 0.00 H new ATOM 0 HA ARG A 80 82.723 -8.098 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.370 -9.641 4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.856 -10.200 5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.829 -10.223 3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.343 -9.664 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.496 -11.731 3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.947 -12.300 3.942 1.00 0.00 H new ATOM 0 HE ARG A 80 83.263 -12.765 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 80 86.233 -13.213 1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 80 86.515 -12.183 -0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 80 83.566 -10.355 0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 80 85.018 -10.579 -0.786 1.00 0.00 H new ATOM 1122 N GLY A 81 85.187 -7.292 6.393 1.00 0.00 N ATOM 1123 CA GLY A 81 85.464 -6.746 7.755 1.00 0.00 C ATOM 1124 C GLY A 81 86.933 -6.344 7.863 1.00 0.00 C ATOM 1125 O GLY A 81 87.720 -7.006 8.513 1.00 0.00 O ATOM 0 H GLY A 81 86.004 -7.378 5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 81 84.826 -5.883 7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.226 -7.493 8.512 1.00 0.00 H new ATOM 1129 N GLY A 82 87.304 -5.257 7.234 1.00 0.00 N ATOM 1130 CA GLY A 82 88.721 -4.805 7.306 1.00 0.00 C ATOM 1131 C GLY A 82 89.068 -3.951 6.086 1.00 0.00 C ATOM 1132 O GLY A 82 88.205 -3.473 5.376 1.00 0.00 O ATOM 0 H GLY A 82 86.687 -4.667 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 82 88.881 -4.230 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.384 -5.669 7.354 1.00 0.00 H new ATOM 1136 N PHE A 83 90.334 -3.771 5.846 1.00 0.00 N ATOM 1137 CA PHE A 83 90.799 -2.962 4.684 1.00 0.00 C ATOM 1138 C PHE A 83 91.765 -3.799 3.846 1.00 0.00 C ATOM 1139 O PHE A 83 92.782 -4.249 4.333 1.00 0.00 O ATOM 1140 CB PHE A 83 91.539 -1.773 5.309 1.00 0.00 C ATOM 1141 CG PHE A 83 90.585 -0.947 6.146 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.153 -1.419 7.393 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.133 0.289 5.673 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.270 -0.653 8.164 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.249 1.054 6.444 1.00 0.00 C ATOM 1146 CZ PHE A 83 88.817 0.583 7.690 1.00 0.00 C ATOM 0 H PHE A 83 91.084 -4.159 6.418 1.00 0.00 H new ATOM 0 HA PHE A 83 89.984 -2.642 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.361 -2.131 5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 83 91.976 -1.154 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.501 -2.373 7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 83 90.466 0.654 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 83 88.938 -1.017 9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 83 88.900 2.008 6.077 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.135 1.173 8.284 1.00 0.00 H new ATOM 1156 N ASN A 84 91.463 -4.008 2.586 1.00 0.00 N ATOM 1157 CA ASN A 84 92.385 -4.819 1.731 1.00 0.00 C ATOM 1158 C ASN A 84 92.948 -3.939 0.615 1.00 0.00 C ATOM 1159 O ASN A 84 92.206 -3.255 -0.052 1.00 0.00 O ATOM 1160 CB ASN A 84 91.514 -5.933 1.151 1.00 0.00 C ATOM 1161 CG ASN A 84 91.558 -7.156 2.069 1.00 0.00 C ATOM 1162 OD1 ASN A 84 91.115 -7.101 3.199 1.00 0.00 O ATOM 1163 ND2 ASN A 84 92.076 -8.266 1.621 1.00 0.00 N ATOM 0 H ASN A 84 90.628 -3.656 2.118 1.00 0.00 H new ATOM 0 HA ASN A 84 93.231 -5.221 2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.487 -5.585 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 84 91.866 -6.201 0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.110 -9.091 2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.447 -8.309 0.672 1.00 0.00 H new ATOM 1170 N VAL A 85 94.239 -3.933 0.415 1.00 0.00 N ATOM 1171 CA VAL A 85 94.816 -3.061 -0.657 1.00 0.00 C ATOM 1172 C VAL A 85 95.744 -3.851 -1.573 1.00 0.00 C ATOM 1173 O VAL A 85 96.034 -5.008 -1.338 1.00 0.00 O ATOM 1174 CB VAL A 85 95.608 -1.969 0.075 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.656 -1.118 0.919 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.664 -2.609 0.983 1.00 0.00 C ATOM 0 H VAL A 85 94.916 -4.487 0.940 1.00 0.00 H new ATOM 0 HA VAL A 85 94.029 -2.647 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 85 96.104 -1.336 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.222 -0.344 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 85 93.913 -0.652 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.154 -1.751 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.222 -1.828 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.174 -3.249 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.349 -3.206 0.380 1.00 0.00 H new ATOM 1186 N ASN A 86 96.207 -3.230 -2.627 1.00 0.00 N ATOM 1187 CA ASN A 86 97.121 -3.935 -3.578 1.00 0.00 C ATOM 1188 C ASN A 86 98.353 -4.468 -2.827 1.00 0.00 C ATOM 1189 O ASN A 86 98.675 -3.980 -1.762 1.00 0.00 O ATOM 1190 CB ASN A 86 97.545 -2.868 -4.592 1.00 0.00 C ATOM 1191 CG ASN A 86 96.343 -2.456 -5.447 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.211 -2.755 -5.117 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.543 -1.774 -6.539 1.00 0.00 N ATOM 0 H ASN A 86 95.992 -2.263 -2.871 1.00 0.00 H new ATOM 0 HA ASN A 86 96.637 -4.786 -4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 86 97.948 -1.999 -4.072 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.340 -3.255 -5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 86 95.751 -1.491 -7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.492 -1.523 -6.817 1.00 0.00 H new ATOM 1200 N PRO A 87 99.004 -5.456 -3.397 1.00 0.00 N ATOM 1201 CA PRO A 87 100.201 -6.039 -2.744 1.00 0.00 C ATOM 1202 C PRO A 87 101.358 -5.039 -2.724 1.00 0.00 C ATOM 1203 O PRO A 87 102.176 -5.076 -1.827 1.00 0.00 O ATOM 1204 CB PRO A 87 100.530 -7.260 -3.600 1.00 0.00 C ATOM 1205 CG PRO A 87 99.934 -6.958 -4.937 1.00 0.00 C ATOM 1206 CD PRO A 87 98.712 -6.114 -4.682 1.00 0.00 C ATOM 0 HA PRO A 87 100.027 -6.300 -1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.607 -7.415 -3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.105 -8.169 -3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.647 -6.427 -5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.668 -7.877 -5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.555 -5.386 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.810 -6.723 -4.624 1.00 0.00 H new ATOM 1214 N THR A 88 101.435 -4.138 -3.669 1.00 0.00 N ATOM 1215 CA THR A 88 102.549 -3.142 -3.650 1.00 0.00 C ATOM 1216 C THR A 88 102.335 -2.167 -2.489 1.00 0.00 C ATOM 1217 O THR A 88 103.272 -1.807 -1.800 1.00 0.00 O ATOM 1218 CB THR A 88 102.488 -2.425 -4.993 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.658 -3.371 -6.041 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.594 -1.370 -5.073 1.00 0.00 C ATOM 0 H THR A 88 100.781 -4.048 -4.447 1.00 0.00 H new ATOM 0 HA THR A 88 103.524 -3.607 -3.507 1.00 0.00 H new ATOM 0 HB THR A 88 101.520 -1.935 -5.094 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.617 -2.912 -6.906 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.543 -0.862 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.462 -0.643 -4.272 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.566 -1.853 -4.968 1.00 0.00 H new ATOM 1228 N ALA A 89 101.114 -1.759 -2.248 1.00 0.00 N ATOM 1229 CA ALA A 89 100.856 -0.833 -1.108 1.00 0.00 C ATOM 1230 C ALA A 89 101.136 -1.577 0.193 1.00 0.00 C ATOM 1231 O ALA A 89 101.725 -1.042 1.113 1.00 0.00 O ATOM 1232 CB ALA A 89 99.376 -0.447 -1.215 1.00 0.00 C ATOM 0 H ALA A 89 100.291 -2.026 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 89 101.487 0.056 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.118 0.235 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.196 0.043 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.760 -1.344 -1.145 1.00 0.00 H new ATOM 1238 N PHE A 90 100.726 -2.813 0.265 1.00 0.00 N ATOM 1239 CA PHE A 90 100.977 -3.617 1.504 1.00 0.00 C ATOM 1240 C PHE A 90 102.483 -3.747 1.774 1.00 0.00 C ATOM 1241 O PHE A 90 102.947 -3.521 2.875 1.00 0.00 O ATOM 1242 CB PHE A 90 100.381 -4.997 1.214 1.00 0.00 C ATOM 1243 CG PHE A 90 100.448 -5.847 2.461 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.578 -6.634 2.713 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.382 -5.840 3.368 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.639 -7.417 3.873 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.444 -6.622 4.528 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.572 -7.411 4.780 1.00 0.00 C ATOM 0 H PHE A 90 100.228 -3.305 -0.477 1.00 0.00 H new ATOM 0 HA PHE A 90 100.534 -3.147 2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.347 -4.896 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.928 -5.478 0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.401 -6.637 2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.511 -5.231 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.510 -8.026 4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.622 -6.616 5.228 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.620 -8.015 5.674 1.00 0.00 H new ATOM 1258 N THR A 91 103.240 -4.138 0.779 1.00 0.00 N ATOM 1259 CA THR A 91 104.718 -4.321 0.965 1.00 0.00 C ATOM 1260 C THR A 91 105.380 -3.008 1.391 1.00 0.00 C ATOM 1261 O THR A 91 106.267 -2.991 2.214 1.00 0.00 O ATOM 1262 CB THR A 91 105.247 -4.772 -0.400 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.614 -5.987 -0.769 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.756 -5.011 -0.314 1.00 0.00 C ATOM 0 H THR A 91 102.898 -4.340 -0.161 1.00 0.00 H new ATOM 0 HA THR A 91 104.938 -5.048 1.747 1.00 0.00 H new ATOM 0 HB THR A 91 105.038 -3.999 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.742 -5.792 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.130 -5.332 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.255 -4.087 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 91 106.960 -5.785 0.426 1.00 0.00 H new ATOM 1272 N LYS A 92 104.960 -1.917 0.817 1.00 0.00 N ATOM 1273 CA LYS A 92 105.570 -0.603 1.186 1.00 0.00 C ATOM 1274 C LYS A 92 105.229 -0.220 2.626 1.00 0.00 C ATOM 1275 O LYS A 92 106.051 0.322 3.341 1.00 0.00 O ATOM 1276 CB LYS A 92 104.985 0.414 0.211 1.00 0.00 C ATOM 1277 CG LYS A 92 105.560 0.174 -1.186 1.00 0.00 C ATOM 1278 CD LYS A 92 104.974 1.194 -2.162 1.00 0.00 C ATOM 1279 CE LYS A 92 105.550 0.953 -3.559 1.00 0.00 C ATOM 1280 NZ LYS A 92 104.853 1.932 -4.437 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.225 -1.874 0.111 1.00 0.00 H new ATOM 0 HA LYS A 92 106.658 -0.644 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.899 0.328 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.218 1.426 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.646 0.260 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.327 -0.838 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 92 103.888 1.108 -2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.207 2.206 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.629 1.108 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.371 -0.070 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 105.195 1.828 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.828 1.756 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 105.047 2.898 -4.103 1.00 0.00 H new ATOM 1294 N LEU A 93 104.020 -0.477 3.046 1.00 0.00 N ATOM 1295 CA LEU A 93 103.618 -0.104 4.438 1.00 0.00 C ATOM 1296 C LEU A 93 104.318 -0.978 5.488 1.00 0.00 C ATOM 1297 O LEU A 93 104.718 -0.489 6.527 1.00 0.00 O ATOM 1298 CB LEU A 93 102.101 -0.321 4.480 1.00 0.00 C ATOM 1299 CG LEU A 93 101.560 -0.018 5.882 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.777 1.458 6.213 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.065 -0.340 5.931 1.00 0.00 C ATOM 0 H LEU A 93 103.293 -0.928 2.490 1.00 0.00 H new ATOM 0 HA LEU A 93 103.901 0.922 4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.614 0.323 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.866 -1.350 4.206 1.00 0.00 H new ATOM 0 HG LEU A 93 102.089 -0.630 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.391 1.668 7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.843 1.685 6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.253 2.075 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.679 -0.125 6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.537 0.270 5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.912 -1.395 5.703 1.00 0.00 H new ATOM 1313 N VAL A 94 104.430 -2.260 5.254 1.00 0.00 N ATOM 1314 CA VAL A 94 105.064 -3.149 6.287 1.00 0.00 C ATOM 1315 C VAL A 94 106.530 -3.441 5.960 1.00 0.00 C ATOM 1316 O VAL A 94 107.362 -3.540 6.841 1.00 0.00 O ATOM 1317 CB VAL A 94 104.244 -4.445 6.263 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.756 -5.397 7.346 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.765 -4.130 6.526 1.00 0.00 C ATOM 0 H VAL A 94 104.116 -2.730 4.405 1.00 0.00 H new ATOM 0 HA VAL A 94 105.062 -2.674 7.268 1.00 0.00 H new ATOM 0 HB VAL A 94 104.347 -4.913 5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 94 104.172 -6.317 7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.805 -5.629 7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.656 -4.924 8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.187 -5.054 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.662 -3.657 7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.394 -3.455 5.755 1.00 0.00 H new ATOM 1329 N GLY A 95 106.843 -3.591 4.706 1.00 0.00 N ATOM 1330 CA GLY A 95 108.247 -3.893 4.302 1.00 0.00 C ATOM 1331 C GLY A 95 108.284 -5.229 3.558 1.00 0.00 C ATOM 1332 O GLY A 95 109.139 -5.461 2.724 1.00 0.00 O ATOM 0 H GLY A 95 106.181 -3.517 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.633 -3.098 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.889 -3.936 5.182 1.00 0.00 H new ATOM 1336 N SER A 96 107.355 -6.106 3.850 1.00 0.00 N ATOM 1337 CA SER A 96 107.322 -7.427 3.160 1.00 0.00 C ATOM 1338 C SER A 96 105.889 -7.964 3.136 1.00 0.00 C ATOM 1339 O SER A 96 105.052 -7.545 3.914 1.00 0.00 O ATOM 1340 CB SER A 96 108.220 -8.337 3.996 1.00 0.00 C ATOM 1341 OG SER A 96 107.583 -8.606 5.239 1.00 0.00 O ATOM 0 H SER A 96 106.617 -5.961 4.539 1.00 0.00 H new ATOM 0 HA SER A 96 107.661 -7.364 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.412 -9.268 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 96 109.186 -7.861 4.164 1.00 0.00 H new ATOM 0 HG SER A 96 108.154 -9.191 5.779 1.00 0.00 H new ATOM 1347 N THR A 97 105.599 -8.891 2.256 1.00 0.00 N ATOM 1348 CA THR A 97 104.216 -9.457 2.192 1.00 0.00 C ATOM 1349 C THR A 97 104.089 -10.693 3.100 1.00 0.00 C ATOM 1350 O THR A 97 103.082 -11.375 3.094 1.00 0.00 O ATOM 1351 CB THR A 97 103.996 -9.841 0.723 1.00 0.00 C ATOM 1352 OG1 THR A 97 104.933 -10.841 0.352 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.182 -8.612 -0.168 1.00 0.00 C ATOM 0 H THR A 97 106.258 -9.279 1.581 1.00 0.00 H new ATOM 0 HA THR A 97 103.472 -8.739 2.537 1.00 0.00 H new ATOM 0 HB THR A 97 102.983 -10.224 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.793 -11.089 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.025 -8.891 -1.210 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.461 -7.845 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.193 -8.223 -0.045 1.00 0.00 H new ATOM 1361 N GLU A 98 105.104 -10.985 3.874 1.00 0.00 N ATOM 1362 CA GLU A 98 105.060 -12.174 4.783 1.00 0.00 C ATOM 1363 C GLU A 98 104.069 -11.948 5.930 1.00 0.00 C ATOM 1364 O GLU A 98 103.547 -12.886 6.500 1.00 0.00 O ATOM 1365 CB GLU A 98 106.481 -12.311 5.332 1.00 0.00 C ATOM 1366 CG GLU A 98 107.434 -12.700 4.199 1.00 0.00 C ATOM 1367 CD GLU A 98 108.869 -12.844 4.730 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.111 -12.468 5.869 1.00 0.00 O ATOM 1369 OE2 GLU A 98 109.705 -13.327 3.985 1.00 0.00 O1- ATOM 0 H GLU A 98 105.969 -10.446 3.916 1.00 0.00 H new ATOM 0 HA GLU A 98 104.732 -13.070 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.800 -11.371 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.507 -13.066 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.110 -13.639 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.404 -11.944 3.415 1.00 0.00 H new ATOM 1376 N ALA A 99 103.824 -10.710 6.284 1.00 0.00 N ATOM 1377 CA ALA A 99 102.883 -10.416 7.415 1.00 0.00 C ATOM 1378 C ALA A 99 101.505 -11.027 7.153 1.00 0.00 C ATOM 1379 O ALA A 99 100.879 -11.556 8.051 1.00 0.00 O ATOM 1380 CB ALA A 99 102.784 -8.890 7.465 1.00 0.00 C ATOM 0 H ALA A 99 104.234 -9.889 5.840 1.00 0.00 H new ATOM 0 HA ALA A 99 103.239 -10.839 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.111 -8.595 8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.772 -8.467 7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.398 -8.519 6.515 1.00 0.00 H new ATOM 1386 N GLY A 100 101.032 -10.962 5.935 1.00 0.00 N ATOM 1387 CA GLY A 100 99.694 -11.541 5.622 1.00 0.00 C ATOM 1388 C GLY A 100 98.603 -10.543 6.013 1.00 0.00 C ATOM 1389 O GLY A 100 98.078 -9.828 5.181 1.00 0.00 O ATOM 0 H GLY A 100 101.515 -10.533 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.626 -11.773 4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.556 -12.478 6.162 1.00 0.00 H new ATOM 1393 N ARG A 101 98.265 -10.490 7.277 1.00 0.00 N ATOM 1394 CA ARG A 101 97.210 -9.540 7.735 1.00 0.00 C ATOM 1395 C ARG A 101 97.641 -8.863 9.038 1.00 0.00 C ATOM 1396 O ARG A 101 98.209 -9.493 9.910 1.00 0.00 O ATOM 1397 CB ARG A 101 95.975 -10.399 7.965 1.00 0.00 C ATOM 1398 CG ARG A 101 94.769 -9.494 8.197 1.00 0.00 C ATOM 1399 CD ARG A 101 93.529 -10.350 8.427 1.00 0.00 C ATOM 1400 NE ARG A 101 93.217 -10.942 7.095 1.00 0.00 N ATOM 1401 CZ ARG A 101 91.983 -11.218 6.774 1.00 0.00 C ATOM 1402 NH1 ARG A 101 91.207 -10.280 6.301 1.00 0.00 N ATOM 1403 NH2 ARG A 101 91.526 -12.432 6.920 1.00 0.00 N1+ ATOM 0 H ARG A 101 98.676 -11.066 8.012 1.00 0.00 H new ATOM 0 HA ARG A 101 97.025 -8.748 7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.800 -11.044 7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.126 -11.051 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 101 94.944 -8.850 9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.619 -8.842 7.337 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.717 -11.126 9.169 1.00 0.00 H new ATOM 0 HD3 ARG A 101 92.698 -9.750 8.797 1.00 0.00 H new ATOM 0 HE ARG A 101 93.970 -11.132 6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 101 91.566 -9.333 6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 101 90.242 -10.495 6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 101 92.134 -13.165 7.285 1.00 0.00 H new ATOM 0 HH22 ARG A 101 90.561 -12.647 6.669 1.00 0.00 H new ATOM 1417 N VAL A 102 97.375 -7.589 9.177 1.00 0.00 N ATOM 1418 CA VAL A 102 97.770 -6.874 10.429 1.00 0.00 C ATOM 1419 C VAL A 102 96.528 -6.334 11.145 1.00 0.00 C ATOM 1420 O VAL A 102 95.773 -5.556 10.597 1.00 0.00 O ATOM 1421 CB VAL A 102 98.676 -5.728 9.965 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.147 -4.919 11.177 1.00 0.00 C ATOM 1423 CG2 VAL A 102 99.895 -6.301 9.237 1.00 0.00 C ATOM 0 H VAL A 102 96.902 -7.014 8.480 1.00 0.00 H new ATOM 0 HA VAL A 102 98.279 -7.528 11.137 1.00 0.00 H new ATOM 0 HB VAL A 102 98.117 -5.080 9.290 1.00 0.00 H new ATOM 0 HG11 VAL A 102 99.791 -4.105 10.843 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.283 -4.507 11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 102 99.703 -5.568 11.854 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.539 -5.485 8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.450 -6.951 9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.565 -6.875 8.371 1.00 0.00 H new ATOM 1433 N ASP A 103 96.308 -6.768 12.358 1.00 0.00 N ATOM 1434 CA ASP A 103 95.109 -6.310 13.121 1.00 0.00 C ATOM 1435 C ASP A 103 95.421 -5.053 13.940 1.00 0.00 C ATOM 1436 O ASP A 103 96.559 -4.652 14.088 1.00 0.00 O ATOM 1437 CB ASP A 103 94.763 -7.480 14.045 1.00 0.00 C ATOM 1438 CG ASP A 103 93.279 -7.428 14.433 1.00 0.00 C ATOM 1439 OD1 ASP A 103 92.686 -6.366 14.331 1.00 0.00 O ATOM 1440 OD2 ASP A 103 92.759 -8.459 14.829 1.00 0.00 O1- ATOM 0 H ASP A 103 96.910 -7.424 12.856 1.00 0.00 H new ATOM 0 HA ASP A 103 94.285 -6.045 12.459 1.00 0.00 H new ATOM 0 HB2 ASP A 103 94.983 -8.424 13.547 1.00 0.00 H new ATOM 0 HB3 ASP A 103 95.382 -7.441 14.941 1.00 0.00 H new ATOM 1445 N ASN A 104 94.399 -4.440 14.484 1.00 0.00 N ATOM 1446 CA ASN A 104 94.578 -3.208 15.320 1.00 0.00 C ATOM 1447 C ASN A 104 95.234 -2.078 14.521 1.00 0.00 C ATOM 1448 O ASN A 104 96.059 -1.343 15.031 1.00 0.00 O ATOM 1449 CB ASN A 104 95.462 -3.618 16.502 1.00 0.00 C ATOM 1450 CG ASN A 104 95.320 -2.584 17.621 1.00 0.00 C ATOM 1451 OD1 ASN A 104 94.238 -2.368 18.128 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.373 -1.929 18.026 1.00 0.00 N ATOM 0 H ASN A 104 93.431 -4.745 14.383 1.00 0.00 H new ATOM 0 HA ASN A 104 93.614 -2.826 15.655 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.171 -4.604 16.863 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.503 -3.688 16.186 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.288 -1.235 18.769 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.282 -2.111 17.600 1.00 0.00 H new ATOM 1459 N VAL A 105 94.848 -1.927 13.285 1.00 0.00 N ATOM 1460 CA VAL A 105 95.424 -0.827 12.455 1.00 0.00 C ATOM 1461 C VAL A 105 94.645 0.457 12.723 1.00 0.00 C ATOM 1462 O VAL A 105 93.434 0.484 12.604 1.00 0.00 O ATOM 1463 CB VAL A 105 95.260 -1.259 10.996 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.809 -0.168 10.067 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.027 -2.563 10.759 1.00 0.00 C ATOM 0 H VAL A 105 94.161 -2.515 12.813 1.00 0.00 H new ATOM 0 HA VAL A 105 96.473 -0.642 12.687 1.00 0.00 H new ATOM 0 HB VAL A 105 94.202 -1.414 10.784 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.690 -0.480 9.029 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.261 0.760 10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.866 -0.008 10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 105 95.910 -2.870 9.720 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.084 -2.408 10.975 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.634 -3.341 11.414 1.00 0.00 H new ATOM 1475 N ASN A 106 95.326 1.525 13.065 1.00 0.00 N ATOM 1476 CA ASN A 106 94.597 2.801 13.316 1.00 0.00 C ATOM 1477 C ASN A 106 94.554 3.608 12.021 1.00 0.00 C ATOM 1478 O ASN A 106 95.401 3.460 11.160 1.00 0.00 O ATOM 1479 CB ASN A 106 95.354 3.534 14.433 1.00 0.00 C ATOM 1480 CG ASN A 106 96.815 3.745 14.045 1.00 0.00 C ATOM 1481 OD1 ASN A 106 97.478 2.834 13.590 1.00 0.00 O ATOM 1482 ND2 ASN A 106 97.354 4.923 14.214 1.00 0.00 N ATOM 0 H ASN A 106 96.339 1.566 13.179 1.00 0.00 H new ATOM 0 HA ASN A 106 93.566 2.639 13.629 1.00 0.00 H new ATOM 0 HB2 ASN A 106 94.882 4.497 14.628 1.00 0.00 H new ATOM 0 HB3 ASN A 106 95.297 2.958 15.357 1.00 0.00 H new ATOM 0 HD21 ASN A 106 98.331 5.078 13.964 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.798 5.688 14.596 1.00 0.00 H new ATOM 1489 N TYR A 107 93.552 4.427 11.861 1.00 0.00 N ATOM 1490 CA TYR A 107 93.419 5.216 10.598 1.00 0.00 C ATOM 1491 C TYR A 107 92.792 6.591 10.842 1.00 0.00 C ATOM 1492 O TYR A 107 91.986 6.770 11.735 1.00 0.00 O ATOM 1493 CB TYR A 107 92.486 4.368 9.714 1.00 0.00 C ATOM 1494 CG TYR A 107 91.210 4.026 10.458 1.00 0.00 C ATOM 1495 CD1 TYR A 107 91.155 2.866 11.241 1.00 0.00 C ATOM 1496 CD2 TYR A 107 90.089 4.859 10.361 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.981 2.540 11.928 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.914 4.533 11.049 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.861 3.373 11.834 1.00 0.00 C ATOM 1500 OH TYR A 107 87.703 3.052 12.514 1.00 0.00 O ATOM 0 H TYR A 107 92.817 4.586 12.550 1.00 0.00 H new ATOM 0 HA TYR A 107 94.393 5.405 10.146 1.00 0.00 H new ATOM 0 HB2 TYR A 107 92.246 4.914 8.801 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.995 3.452 9.413 1.00 0.00 H new ATOM 0 HD1 TYR A 107 92.020 2.223 11.314 1.00 0.00 H new ATOM 0 HD2 TYR A 107 90.131 5.753 9.756 1.00 0.00 H new ATOM 0 HE1 TYR A 107 89.939 1.645 12.531 1.00 0.00 H new ATOM 0 HE2 TYR A 107 88.049 5.175 10.975 1.00 0.00 H new ATOM 0 HH TYR A 107 87.022 3.736 12.342 1.00 0.00 H new ATOM 1510 N VAL A 108 93.152 7.558 10.034 1.00 0.00 N ATOM 1511 CA VAL A 108 92.573 8.932 10.188 1.00 0.00 C ATOM 1512 C VAL A 108 92.314 9.552 8.810 1.00 0.00 C ATOM 1513 O VAL A 108 93.140 9.480 7.920 1.00 0.00 O ATOM 1514 CB VAL A 108 93.619 9.743 10.962 1.00 0.00 C ATOM 1515 CG1 VAL A 108 93.797 9.142 12.358 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.957 9.711 10.220 1.00 0.00 C ATOM 0 H VAL A 108 93.823 7.456 9.273 1.00 0.00 H new ATOM 0 HA VAL A 108 91.619 8.914 10.715 1.00 0.00 H new ATOM 0 HB VAL A 108 93.281 10.776 11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 108 94.540 9.717 12.910 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.847 9.172 12.891 1.00 0.00 H new ATOM 0 HG13 VAL A 108 94.131 8.108 12.269 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.695 10.289 10.776 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.298 8.680 10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.832 10.141 9.226 1.00 0.00 H new ATOM 1526 N GLN A 109 91.165 10.150 8.633 1.00 0.00 N ATOM 1527 CA GLN A 109 90.821 10.774 7.318 1.00 0.00 C ATOM 1528 C GLN A 109 91.622 12.052 7.094 1.00 0.00 C ATOM 1529 O GLN A 109 91.837 12.835 8.000 1.00 0.00 O ATOM 1530 CB GLN A 109 89.330 11.108 7.402 1.00 0.00 C ATOM 1531 CG GLN A 109 88.853 11.682 6.067 1.00 0.00 C ATOM 1532 CD GLN A 109 87.363 12.014 6.153 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.933 12.701 7.059 1.00 0.00 O ATOM 1534 NE2 GLN A 109 86.550 11.549 5.245 1.00 0.00 N ATOM 0 H GLN A 109 90.443 10.234 9.349 1.00 0.00 H new ATOM 0 HA GLN A 109 91.051 10.102 6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.760 10.212 7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 109 89.153 11.827 8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 109 89.422 12.579 5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 109 89.030 10.963 5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.911 10.973 4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.554 11.762 5.295 1.00 0.00 H new ATOM 1543 N VAL A 110 92.044 12.271 5.876 1.00 0.00 N ATOM 1544 CA VAL A 110 92.810 13.503 5.558 1.00 0.00 C ATOM 1545 C VAL A 110 92.230 14.153 4.296 1.00 0.00 C ATOM 1546 O VAL A 110 91.376 13.586 3.639 1.00 0.00 O ATOM 1547 CB VAL A 110 94.259 13.056 5.332 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.831 12.504 6.638 1.00 0.00 C ATOM 1549 CG2 VAL A 110 94.313 11.968 4.253 1.00 0.00 C ATOM 0 H VAL A 110 91.888 11.644 5.087 1.00 0.00 H new ATOM 0 HA VAL A 110 92.756 14.241 6.358 1.00 0.00 H new ATOM 0 HB VAL A 110 94.848 13.913 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.861 12.186 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.805 13.280 7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 110 94.235 11.652 6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 110 95.347 11.658 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.720 11.110 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.911 12.361 3.319 1.00 0.00 H new ATOM 1559 N ASP A 111 92.677 15.333 3.955 1.00 0.00 N ATOM 1560 CA ASP A 111 92.144 16.020 2.735 1.00 0.00 C ATOM 1561 C ASP A 111 92.407 15.170 1.482 1.00 0.00 C ATOM 1562 O ASP A 111 93.431 14.524 1.361 1.00 0.00 O ATOM 1563 CB ASP A 111 92.908 17.347 2.659 1.00 0.00 C ATOM 1564 CG ASP A 111 92.270 18.261 1.607 1.00 0.00 C ATOM 1565 OD1 ASP A 111 91.696 17.744 0.663 1.00 0.00 O ATOM 1566 OD2 ASP A 111 92.365 19.467 1.766 1.00 0.00 O1- ATOM 0 H ASP A 111 93.389 15.854 4.467 1.00 0.00 H new ATOM 0 HA ASP A 111 91.066 16.174 2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 111 92.899 17.838 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 111 93.952 17.161 2.406 1.00 0.00 H new ATOM 1571 N LEU A 112 91.490 15.178 0.545 1.00 0.00 N ATOM 1572 CA LEU A 112 91.672 14.387 -0.716 1.00 0.00 C ATOM 1573 C LEU A 112 92.927 14.855 -1.458 1.00 0.00 C ATOM 1574 O LEU A 112 93.656 14.066 -2.026 1.00 0.00 O ATOM 1575 CB LEU A 112 90.434 14.701 -1.566 1.00 0.00 C ATOM 1576 CG LEU A 112 90.518 13.934 -2.896 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.122 13.490 -3.339 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.125 14.840 -3.968 1.00 0.00 C ATOM 0 H LEU A 112 90.617 15.702 0.599 1.00 0.00 H new ATOM 0 HA LEU A 112 91.784 13.322 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.529 14.419 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.372 15.773 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 112 91.145 13.053 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.195 12.948 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.689 12.840 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.487 14.366 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.185 14.297 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.498 15.722 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.125 15.147 -3.661 1.00 0.00 H new ATOM 1590 N SER A 113 93.160 16.143 -1.480 1.00 0.00 N ATOM 1591 CA SER A 113 94.346 16.698 -2.211 1.00 0.00 C ATOM 1592 C SER A 113 95.638 15.982 -1.800 1.00 0.00 C ATOM 1593 O SER A 113 96.535 15.808 -2.600 1.00 0.00 O ATOM 1594 CB SER A 113 94.407 18.172 -1.807 1.00 0.00 C ATOM 1595 OG SER A 113 95.348 18.846 -2.634 1.00 0.00 O ATOM 0 H SER A 113 92.576 16.841 -1.020 1.00 0.00 H new ATOM 0 HA SER A 113 94.249 16.564 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 113 93.423 18.630 -1.908 1.00 0.00 H new ATOM 0 HB3 SER A 113 94.695 18.263 -0.760 1.00 0.00 H new ATOM 0 HG SER A 113 95.389 19.791 -2.379 1.00 0.00 H new ATOM 1601 N ASN A 114 95.739 15.575 -0.562 1.00 0.00 N ATOM 1602 CA ASN A 114 96.978 14.876 -0.095 1.00 0.00 C ATOM 1603 C ASN A 114 97.146 13.529 -0.803 1.00 0.00 C ATOM 1604 O ASN A 114 98.241 13.150 -1.162 1.00 0.00 O ATOM 1605 CB ASN A 114 96.792 14.673 1.409 1.00 0.00 C ATOM 1606 CG ASN A 114 96.877 16.022 2.125 1.00 0.00 C ATOM 1607 OD1 ASN A 114 95.985 16.389 2.863 1.00 0.00 O ATOM 1608 ND2 ASN A 114 97.920 16.781 1.937 1.00 0.00 N ATOM 0 H ASN A 114 95.017 15.696 0.149 1.00 0.00 H new ATOM 0 HA ASN A 114 97.873 15.458 -0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.827 14.206 1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.557 13.998 1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 114 97.987 17.682 2.410 1.00 0.00 H new ATOM 0 HD22 ASN A 114 98.670 16.473 1.317 1.00 0.00 H new ATOM 1615 N CYS A 115 96.076 12.804 -1.000 1.00 0.00 N ATOM 1616 CA CYS A 115 96.188 11.477 -1.687 1.00 0.00 C ATOM 1617 C CYS A 115 96.753 11.657 -3.097 1.00 0.00 C ATOM 1618 O CYS A 115 97.649 10.950 -3.517 1.00 0.00 O ATOM 1619 CB CYS A 115 94.761 10.940 -1.769 1.00 0.00 C ATOM 1620 SG CYS A 115 94.164 10.547 -0.111 1.00 0.00 S ATOM 0 H CYS A 115 95.132 13.069 -0.718 1.00 0.00 H new ATOM 0 HA CYS A 115 96.853 10.800 -1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 115 94.110 11.680 -2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.733 10.050 -2.397 1.00 0.00 H new ATOM 1625 N ILE A 116 96.212 12.592 -3.827 1.00 0.00 N ATOM 1626 CA ILE A 116 96.682 12.832 -5.226 1.00 0.00 C ATOM 1627 C ILE A 116 98.089 13.439 -5.230 1.00 0.00 C ATOM 1628 O ILE A 116 98.917 13.092 -6.050 1.00 0.00 O ATOM 1629 CB ILE A 116 95.658 13.795 -5.835 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.273 13.149 -5.813 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.032 14.115 -7.283 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.222 14.179 -6.230 1.00 0.00 C ATOM 0 H ILE A 116 95.459 13.206 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 116 96.751 11.907 -5.799 1.00 0.00 H new ATOM 0 HB ILE A 116 95.651 14.715 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.248 12.294 -6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.052 12.772 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 116 95.297 14.800 -7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.018 14.579 -7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.048 13.195 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 116 92.234 13.718 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.241 15.020 -5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 116 93.440 14.534 -7.237 1.00 0.00 H new ATOM 1644 N ASN A 117 98.360 14.343 -4.327 1.00 0.00 N ATOM 1645 CA ASN A 117 99.714 14.980 -4.281 1.00 0.00 C ATOM 1646 C ASN A 117 100.787 13.955 -3.894 1.00 0.00 C ATOM 1647 O ASN A 117 101.886 13.968 -4.415 1.00 0.00 O ATOM 1648 CB ASN A 117 99.610 16.075 -3.219 1.00 0.00 C ATOM 1649 CG ASN A 117 98.719 17.207 -3.736 1.00 0.00 C ATOM 1650 OD1 ASN A 117 98.564 17.379 -4.929 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.122 17.993 -2.883 1.00 0.00 N ATOM 0 H ASN A 117 97.704 14.670 -3.618 1.00 0.00 H new ATOM 0 HA ASN A 117 100.003 15.381 -5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.196 15.664 -2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.602 16.459 -2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 117 97.526 18.750 -3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.251 17.850 -1.881 1.00 0.00 H new ATOM 1658 N GLY A 118 100.480 13.087 -2.965 1.00 0.00 N ATOM 1659 CA GLY A 118 101.479 12.075 -2.510 1.00 0.00 C ATOM 1660 C GLY A 118 101.582 10.914 -3.504 1.00 0.00 C ATOM 1661 O GLY A 118 102.640 10.646 -4.042 1.00 0.00 O ATOM 0 H GLY A 118 99.574 13.036 -2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.454 12.548 -2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 118 101.194 11.694 -1.529 1.00 0.00 H new ATOM 1665 N ALA A 119 100.501 10.213 -3.737 1.00 0.00 N ATOM 1666 CA ALA A 119 100.547 9.052 -4.681 1.00 0.00 C ATOM 1667 C ALA A 119 100.974 9.507 -6.080 1.00 0.00 C ATOM 1668 O ALA A 119 101.759 8.852 -6.740 1.00 0.00 O ATOM 1669 CB ALA A 119 99.122 8.498 -4.712 1.00 0.00 C ATOM 0 H ALA A 119 99.590 10.393 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 119 101.270 8.301 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.079 7.642 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.831 8.185 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.439 9.271 -5.063 1.00 0.00 H new ATOM 1675 N ASN A 120 100.459 10.620 -6.536 1.00 0.00 N ATOM 1676 CA ASN A 120 100.827 11.120 -7.893 1.00 0.00 C ATOM 1677 C ASN A 120 101.218 12.601 -7.829 1.00 0.00 C ATOM 1678 O ASN A 120 102.378 12.874 -7.564 1.00 0.00 O ATOM 1679 CB ASN A 120 99.568 10.924 -8.738 1.00 0.00 C ATOM 1680 CG ASN A 120 99.879 11.242 -10.202 1.00 0.00 C ATOM 1681 OD1 ASN A 120 99.677 12.353 -10.650 1.00 0.00 O ATOM 1682 ND2 ASN A 120 100.365 10.307 -10.970 1.00 0.00 N ATOM 1683 OXT ASN A 120 100.355 13.437 -8.046 1.00 0.00 O ATOM 0 H ASN A 120 99.798 11.205 -6.025 1.00 0.00 H new ATOM 0 HA ASN A 120 101.684 10.592 -8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 120 99.212 9.898 -8.646 1.00 0.00 H new ATOM 0 HB3 ASN A 120 98.770 11.572 -8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 120 100.576 10.508 -11.947 1.00 0.00 H new ATOM 0 HD22 ASN A 120 100.534 9.374 -10.593 1.00 0.00 H new