USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 931 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 22 TYR OH : rot -29:sc= 1.26 USER MOD Set 1.2: A 102 HIS :FLIP no HD1:sc= -0.368 F(o=1,f=2.8) USER MOD Set 1.3: A 105 SER OG : rot -171:sc= 1.9 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -163:sc= 1.96 (180deg=1.43) USER MOD Set 2.2: A 53 HIS : no HE2:sc= -1.95! C(o=0.76!,f=-4.6!) USER MOD Set 2.3: A 94 SER OG : rot 160:sc= 0.761 USER MOD Set 2.4: A 95 MET CE :methyl -125:sc= -0.0163 (180deg=-0.103) USER MOD Set 3.1: A 89 HIS : no HD1:sc= 0.839 K(o=2.2,f=-5.1!) USER MOD Set 3.2: A 119 THR OG1 : rot 86:sc= 1.31 USER MOD Set 4.1: A 80 SER OG : rot 160:sc= 1.14 USER MOD Set 4.2: A 91 TYR OH : rot 180:sc= 0.755 USER MOD Set 5.1: A 64 MET CE :methyl -169:sc= -0.306 (180deg=-0.534) USER MOD Set 5.2: A 67 GLN : amide:sc= 1.09 K(o=0.78,f=-0.46) USER MOD Set 6.1: A 28 HIS : no HD1:sc= 1.09 K(o=2.2,f=-6.2!) USER MOD Set 6.2: A 40 SER OG : rot -124:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0216 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 29 SER OG : rot 15:sc= 0.0324 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 1.84 (180deg=1.76) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.21) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -2:sc= 0.585 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 80:sc= 1.29 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= 1.21 (180deg=0.607) USER MOD Single : A 69 CYS SG : rot -85:sc= 0.333 USER MOD Single : A 71 CYS SG : rot 90:sc= -2.01 USER MOD Single : A 73 CYS SG : rot 156:sc= 1.82 USER MOD Single : A 81 HIS : no HE2:sc= 0.348 K(o=0.35,f=-1.8!) USER MOD Single : A 82 GLN : amide:sc= 0.613 K(o=0.61,f=-0.03) USER MOD Single : A 83 SER OG : rot 156:sc= 1.34 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.12) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 80:sc= -0.0369 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -71:sc= 0.799 USER MOD Single : A 108 LYS NZ :NH3+ -120:sc= 1.38 (180deg=-0.337) USER MOD Single : A 110 LYS NZ :NH3+ 138:sc= 1.26 (180deg=0.642) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot -63:sc= 0.539 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.018) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.369 8.409 17.837 1.00 0.00 N ATOM 2 CA MET A 1 11.522 8.107 16.659 1.00 0.00 C ATOM 3 C MET A 1 11.647 9.228 15.619 1.00 0.00 C ATOM 4 O MET A 1 11.737 10.407 15.972 1.00 0.00 O ATOM 5 CB MET A 1 10.052 7.865 17.070 1.00 0.00 C ATOM 6 CG MET A 1 9.152 7.417 15.907 1.00 0.00 C ATOM 7 SD MET A 1 9.714 5.931 15.024 1.00 0.00 S ATOM 8 CE MET A 1 8.415 5.813 13.762 1.00 0.00 C ATOM 0 H1 MET A 1 11.892 8.081 18.701 1.00 0.00 H new ATOM 0 H2 MET A 1 13.283 7.923 17.741 1.00 0.00 H new ATOM 0 H3 MET A 1 12.527 9.435 17.897 1.00 0.00 H new ATOM 0 HA MET A 1 11.876 7.182 16.204 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.023 7.108 17.853 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.648 8.782 17.498 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.150 7.233 16.294 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.073 8.237 15.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.604 4.948 13.126 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.445 5.702 14.247 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.415 6.718 13.154 1.00 0.00 H new ATOM 20 N ALA A 2 11.640 8.866 14.333 1.00 0.00 N ATOM 21 CA ALA A 2 11.618 9.778 13.194 1.00 0.00 C ATOM 22 C ALA A 2 10.788 9.120 12.088 1.00 0.00 C ATOM 23 O ALA A 2 10.540 7.914 12.138 1.00 0.00 O ATOM 24 CB ALA A 2 13.051 10.049 12.714 1.00 0.00 C ATOM 0 H ALA A 2 11.650 7.886 14.049 1.00 0.00 H new ATOM 0 HA ALA A 2 11.175 10.735 13.471 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.027 10.730 11.864 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.627 10.498 13.523 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.518 9.111 12.414 1.00 0.00 H new ATOM 30 N VAL A 3 10.368 9.894 11.089 1.00 0.00 N ATOM 31 CA VAL A 3 9.554 9.433 9.967 1.00 0.00 C ATOM 32 C VAL A 3 9.793 10.396 8.790 1.00 0.00 C ATOM 33 O VAL A 3 10.379 11.469 8.971 1.00 0.00 O ATOM 34 CB VAL A 3 8.077 9.314 10.440 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.429 10.668 10.766 1.00 0.00 C ATOM 36 CG2 VAL A 3 7.181 8.531 9.471 1.00 0.00 C ATOM 0 H VAL A 3 10.591 10.888 11.037 1.00 0.00 H new ATOM 0 HA VAL A 3 9.827 8.439 9.613 1.00 0.00 H new ATOM 0 HB VAL A 3 8.149 8.742 11.365 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.400 10.510 11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.989 11.157 11.563 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.438 11.299 9.877 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.166 8.489 9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.172 9.028 8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.567 7.518 9.356 1.00 0.00 H new ATOM 46 N ALA A 4 9.344 10.024 7.589 1.00 0.00 N ATOM 47 CA ALA A 4 9.348 10.851 6.387 1.00 0.00 C ATOM 48 C ALA A 4 8.064 10.540 5.605 1.00 0.00 C ATOM 49 O ALA A 4 7.216 9.784 6.082 1.00 0.00 O ATOM 50 CB ALA A 4 10.616 10.584 5.556 1.00 0.00 C ATOM 0 H ALA A 4 8.951 9.097 7.424 1.00 0.00 H new ATOM 0 HA ALA A 4 9.365 11.911 6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.604 11.209 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.498 10.820 6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.645 9.534 5.264 1.00 0.00 H new ATOM 56 N ASP A 5 7.912 11.099 4.407 1.00 0.00 N ATOM 57 CA ASP A 5 6.724 10.926 3.577 1.00 0.00 C ATOM 58 C ASP A 5 7.154 10.863 2.116 1.00 0.00 C ATOM 59 O ASP A 5 8.164 11.463 1.744 1.00 0.00 O ATOM 60 CB ASP A 5 5.754 12.093 3.803 1.00 0.00 C ATOM 61 CG ASP A 5 4.511 11.956 2.913 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.554 11.258 3.316 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.505 12.523 1.800 1.00 0.00 O ATOM 0 H ASP A 5 8.622 11.694 3.980 1.00 0.00 H new ATOM 0 HA ASP A 5 6.212 10.002 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.454 12.123 4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.257 13.036 3.588 1.00 0.00 H new ATOM 68 N LEU A 6 6.389 10.150 1.287 1.00 0.00 N ATOM 69 CA LEU A 6 6.672 9.938 -0.128 1.00 0.00 C ATOM 70 C LEU A 6 6.889 11.244 -0.908 1.00 0.00 C ATOM 71 O LEU A 6 7.649 11.243 -1.881 1.00 0.00 O ATOM 72 CB LEU A 6 5.512 9.151 -0.762 1.00 0.00 C ATOM 73 CG LEU A 6 5.407 7.654 -0.405 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.170 7.057 -1.093 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.651 6.850 -0.805 1.00 0.00 C ATOM 0 H LEU A 6 5.531 9.692 1.594 1.00 0.00 H new ATOM 0 HA LEU A 6 7.605 9.378 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.578 9.634 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.596 9.236 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 6 5.322 7.587 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.091 5.999 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.276 7.578 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.264 7.170 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.514 5.805 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.800 6.922 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.524 7.251 -0.290 1.00 0.00 H new ATOM 87 N ALA A 7 6.244 12.348 -0.516 1.00 0.00 N ATOM 88 CA ALA A 7 6.415 13.641 -1.159 1.00 0.00 C ATOM 89 C ALA A 7 7.757 14.298 -0.806 1.00 0.00 C ATOM 90 O ALA A 7 8.247 15.131 -1.569 1.00 0.00 O ATOM 91 CB ALA A 7 5.261 14.570 -0.764 1.00 0.00 C ATOM 0 H ALA A 7 5.585 12.362 0.263 1.00 0.00 H new ATOM 0 HA ALA A 7 6.411 13.473 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.392 15.538 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.315 14.131 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.255 14.702 0.318 1.00 0.00 H new ATOM 97 N LEU A 8 8.343 13.955 0.349 1.00 0.00 N ATOM 98 CA LEU A 8 9.596 14.535 0.833 1.00 0.00 C ATOM 99 C LEU A 8 10.806 13.810 0.238 1.00 0.00 C ATOM 100 O LEU A 8 11.898 14.378 0.210 1.00 0.00 O ATOM 101 CB LEU A 8 9.667 14.470 2.372 1.00 0.00 C ATOM 102 CG LEU A 8 8.554 15.239 3.111 1.00 0.00 C ATOM 103 CD1 LEU A 8 8.693 15.019 4.622 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.584 16.744 2.814 1.00 0.00 C ATOM 0 H LEU A 8 7.951 13.256 0.980 1.00 0.00 H new ATOM 0 HA LEU A 8 9.619 15.577 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.630 13.425 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.632 14.862 2.693 1.00 0.00 H new ATOM 0 HG LEU A 8 7.600 14.851 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.905 15.563 5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.607 13.955 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.666 15.382 4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.780 17.239 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.543 17.158 3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.451 16.907 1.744 1.00 0.00 H new ATOM 116 N ILE A 9 10.629 12.568 -0.226 1.00 0.00 N ATOM 117 CA ILE A 9 11.675 11.787 -0.882 1.00 0.00 C ATOM 118 C ILE A 9 12.176 12.580 -2.109 1.00 0.00 C ATOM 119 O ILE A 9 11.334 13.040 -2.889 1.00 0.00 O ATOM 120 CB ILE A 9 11.118 10.388 -1.246 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.812 9.618 0.059 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.091 9.594 -2.132 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.246 8.212 -0.137 1.00 0.00 C ATOM 0 H ILE A 9 9.740 12.073 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 9 12.528 11.622 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 9 10.203 10.517 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.729 9.546 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.103 10.200 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.660 8.620 -2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.269 10.141 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.035 9.458 -1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.065 7.754 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.309 8.271 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.960 7.607 -0.695 1.00 0.00 H new ATOM 135 N PRO A 10 13.503 12.743 -2.309 1.00 0.00 N ATOM 136 CA PRO A 10 14.077 13.317 -3.525 1.00 0.00 C ATOM 137 C PRO A 10 13.503 12.619 -4.758 1.00 0.00 C ATOM 138 O PRO A 10 13.664 11.407 -4.919 1.00 0.00 O ATOM 139 CB PRO A 10 15.596 13.145 -3.406 1.00 0.00 C ATOM 140 CG PRO A 10 15.823 13.080 -1.898 1.00 0.00 C ATOM 141 CD PRO A 10 14.569 12.374 -1.388 1.00 0.00 C ATOM 0 HA PRO A 10 13.832 14.373 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.939 12.238 -3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.132 13.979 -3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.727 12.524 -1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.931 14.074 -1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.710 11.293 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.332 12.685 -0.371 1.00 0.00 H new ATOM 149 N ASP A 11 12.837 13.370 -5.635 1.00 0.00 N ATOM 150 CA ASP A 11 12.050 12.783 -6.719 1.00 0.00 C ATOM 151 C ASP A 11 12.877 12.540 -7.984 1.00 0.00 C ATOM 152 O ASP A 11 12.814 11.464 -8.581 1.00 0.00 O ATOM 153 CB ASP A 11 10.858 13.697 -7.009 1.00 0.00 C ATOM 154 CG ASP A 11 9.741 12.920 -7.693 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.934 12.286 -6.978 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.629 12.959 -8.933 1.00 0.00 O ATOM 0 H ASP A 11 12.827 14.390 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 11 11.701 11.802 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.490 14.130 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.174 14.525 -7.643 1.00 0.00 H new ATOM 161 N VAL A 12 13.749 13.487 -8.336 1.00 0.00 N ATOM 162 CA VAL A 12 14.566 13.460 -9.547 1.00 0.00 C ATOM 163 C VAL A 12 15.963 13.948 -9.164 1.00 0.00 C ATOM 164 O VAL A 12 16.099 14.951 -8.460 1.00 0.00 O ATOM 165 CB VAL A 12 13.943 14.370 -10.635 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.758 14.359 -11.938 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.504 13.970 -10.991 1.00 0.00 C ATOM 0 H VAL A 12 13.910 14.319 -7.768 1.00 0.00 H new ATOM 0 HA VAL A 12 14.618 12.452 -9.958 1.00 0.00 H new ATOM 0 HB VAL A 12 13.949 15.367 -10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.282 15.011 -12.670 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.769 14.715 -11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.802 13.343 -12.331 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.119 14.642 -11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.493 12.947 -11.366 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.877 14.037 -10.102 1.00 0.00 H new ATOM 177 N ASP A 13 16.996 13.249 -9.638 1.00 0.00 N ATOM 178 CA ASP A 13 18.386 13.690 -9.560 1.00 0.00 C ATOM 179 C ASP A 13 19.117 12.964 -10.688 1.00 0.00 C ATOM 180 O ASP A 13 19.132 11.732 -10.716 1.00 0.00 O ATOM 181 CB ASP A 13 19.008 13.374 -8.189 1.00 0.00 C ATOM 182 CG ASP A 13 20.375 14.054 -7.970 1.00 0.00 C ATOM 183 OD1 ASP A 13 21.010 14.534 -8.935 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.803 14.157 -6.798 1.00 0.00 O ATOM 0 H ASP A 13 16.886 12.344 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 13 18.462 14.772 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.322 13.692 -7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 13 19.127 12.295 -8.091 1.00 0.00 H new ATOM 189 N ILE A 14 19.641 13.708 -11.661 1.00 0.00 N ATOM 190 CA ILE A 14 20.302 13.174 -12.847 1.00 0.00 C ATOM 191 C ILE A 14 21.562 14.004 -13.112 1.00 0.00 C ATOM 192 O ILE A 14 21.629 15.175 -12.729 1.00 0.00 O ATOM 193 CB ILE A 14 19.345 13.141 -14.069 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.710 14.517 -14.389 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.255 12.068 -13.876 1.00 0.00 C ATOM 196 CD1 ILE A 14 18.000 14.566 -15.749 1.00 0.00 C ATOM 0 H ILE A 14 19.616 14.728 -11.644 1.00 0.00 H new ATOM 0 HA ILE A 14 20.591 12.137 -12.675 1.00 0.00 H new ATOM 0 HB ILE A 14 19.957 12.880 -14.932 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.995 14.768 -13.606 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.488 15.280 -14.367 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.594 12.060 -14.743 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.723 11.089 -13.768 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.676 12.294 -12.981 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.580 15.560 -15.905 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.716 14.347 -16.541 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.199 13.827 -15.768 1.00 0.00 H new ATOM 208 N ASP A 15 22.555 13.408 -13.776 1.00 0.00 N ATOM 209 CA ASP A 15 23.872 14.009 -13.983 1.00 0.00 C ATOM 210 C ASP A 15 24.277 13.897 -15.450 1.00 0.00 C ATOM 211 O ASP A 15 24.828 12.882 -15.885 1.00 0.00 O ATOM 212 CB ASP A 15 24.914 13.367 -13.064 1.00 0.00 C ATOM 213 CG ASP A 15 26.319 13.937 -13.322 1.00 0.00 C ATOM 214 OD1 ASP A 15 26.481 15.179 -13.313 1.00 0.00 O ATOM 215 OD2 ASP A 15 27.278 13.147 -13.476 1.00 0.00 O ATOM 0 H ASP A 15 22.464 12.481 -14.191 1.00 0.00 H new ATOM 0 HA ASP A 15 23.819 15.067 -13.726 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.637 13.536 -12.024 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.923 12.288 -13.220 1.00 0.00 H new ATOM 220 N SER A 16 23.945 14.936 -16.216 1.00 0.00 N ATOM 221 CA SER A 16 24.282 15.074 -17.626 1.00 0.00 C ATOM 222 C SER A 16 25.799 14.987 -17.851 1.00 0.00 C ATOM 223 O SER A 16 26.591 15.410 -17.003 1.00 0.00 O ATOM 224 CB SER A 16 23.730 16.413 -18.135 1.00 0.00 C ATOM 225 OG SER A 16 22.393 16.611 -17.696 1.00 0.00 O ATOM 0 H SER A 16 23.416 15.730 -15.856 1.00 0.00 H new ATOM 0 HA SER A 16 23.831 14.254 -18.184 1.00 0.00 H new ATOM 0 HB2 SER A 16 24.359 17.229 -17.778 1.00 0.00 H new ATOM 0 HB3 SER A 16 23.766 16.435 -19.224 1.00 0.00 H new ATOM 0 HG SER A 16 22.063 17.471 -18.031 1.00 0.00 H new ATOM 231 N ASP A 17 26.201 14.482 -19.020 1.00 0.00 N ATOM 232 CA ASP A 17 27.605 14.388 -19.437 1.00 0.00 C ATOM 233 C ASP A 17 27.706 14.329 -20.963 1.00 0.00 C ATOM 234 O ASP A 17 28.511 15.041 -21.565 1.00 0.00 O ATOM 235 CB ASP A 17 28.248 13.127 -18.844 1.00 0.00 C ATOM 236 CG ASP A 17 29.705 12.981 -19.311 1.00 0.00 C ATOM 237 OD1 ASP A 17 30.603 13.530 -18.636 1.00 0.00 O ATOM 238 OD2 ASP A 17 29.958 12.283 -20.318 1.00 0.00 O ATOM 0 H ASP A 17 25.550 14.120 -19.717 1.00 0.00 H new ATOM 0 HA ASP A 17 28.129 15.272 -19.074 1.00 0.00 H new ATOM 0 HB2 ASP A 17 28.214 13.174 -17.756 1.00 0.00 H new ATOM 0 HB3 ASP A 17 27.677 12.248 -19.143 1.00 0.00 H new ATOM 243 N GLY A 18 26.843 13.520 -21.586 1.00 0.00 N ATOM 244 CA GLY A 18 26.745 13.358 -23.032 1.00 0.00 C ATOM 245 C GLY A 18 25.849 12.166 -23.342 1.00 0.00 C ATOM 246 O GLY A 18 24.911 12.290 -24.132 1.00 0.00 O ATOM 0 H GLY A 18 26.173 12.943 -21.077 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.338 14.262 -23.485 1.00 0.00 H new ATOM 0 HA3 GLY A 18 27.735 13.205 -23.461 1.00 0.00 H new ATOM 250 N VAL A 19 26.096 11.042 -22.663 1.00 0.00 N ATOM 251 CA VAL A 19 25.260 9.847 -22.624 1.00 0.00 C ATOM 252 C VAL A 19 25.492 9.236 -21.232 1.00 0.00 C ATOM 253 O VAL A 19 26.627 9.246 -20.745 1.00 0.00 O ATOM 254 CB VAL A 19 25.644 8.855 -23.752 1.00 0.00 C ATOM 255 CG1 VAL A 19 24.739 7.616 -23.729 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.557 9.459 -25.164 1.00 0.00 C ATOM 0 H VAL A 19 26.936 10.940 -22.093 1.00 0.00 H new ATOM 0 HA VAL A 19 24.208 10.083 -22.787 1.00 0.00 H new ATOM 0 HB VAL A 19 26.682 8.594 -23.548 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.031 6.937 -24.531 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.841 7.109 -22.769 1.00 0.00 H new ATOM 0 HG13 VAL A 19 23.702 7.920 -23.871 1.00 0.00 H new ATOM 0 HG21 VAL A 19 25.840 8.706 -25.900 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.536 9.789 -25.356 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.233 10.311 -25.238 1.00 0.00 H new ATOM 266 N PHE A 20 24.445 8.722 -20.582 1.00 0.00 N ATOM 267 CA PHE A 20 24.517 8.042 -19.287 1.00 0.00 C ATOM 268 C PHE A 20 23.321 7.095 -19.139 1.00 0.00 C ATOM 269 O PHE A 20 22.374 7.168 -19.924 1.00 0.00 O ATOM 270 CB PHE A 20 24.577 9.067 -18.137 1.00 0.00 C ATOM 271 CG PHE A 20 23.412 10.042 -18.026 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.353 11.184 -18.848 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.411 9.836 -17.058 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.306 12.112 -18.696 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.378 10.774 -16.890 1.00 0.00 C ATOM 276 CZ PHE A 20 21.332 11.919 -17.702 1.00 0.00 C ATOM 0 H PHE A 20 23.496 8.769 -20.953 1.00 0.00 H new ATOM 0 HA PHE A 20 25.431 7.451 -19.239 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.653 8.520 -17.197 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.495 9.645 -18.244 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.113 11.348 -19.597 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.437 8.951 -16.440 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.251 12.974 -19.344 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.620 10.614 -16.137 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.549 12.650 -17.563 1.00 0.00 H new ATOM 286 N LYS A 21 23.351 6.185 -18.160 1.00 0.00 N ATOM 287 CA LYS A 21 22.249 5.241 -17.939 1.00 0.00 C ATOM 288 C LYS A 21 21.351 5.771 -16.829 1.00 0.00 C ATOM 289 O LYS A 21 21.791 6.580 -16.008 1.00 0.00 O ATOM 290 CB LYS A 21 22.754 3.837 -17.550 1.00 0.00 C ATOM 291 CG LYS A 21 23.988 3.306 -18.291 1.00 0.00 C ATOM 292 CD LYS A 21 23.846 3.216 -19.819 1.00 0.00 C ATOM 293 CE LYS A 21 25.202 2.888 -20.468 1.00 0.00 C ATOM 294 NZ LYS A 21 25.711 1.539 -20.121 1.00 0.00 N ATOM 0 H LYS A 21 24.127 6.082 -17.507 1.00 0.00 H new ATOM 0 HA LYS A 21 21.698 5.150 -18.875 1.00 0.00 H new ATOM 0 HB2 LYS A 21 22.977 3.842 -16.483 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.938 3.130 -17.702 1.00 0.00 H new ATOM 0 HG2 LYS A 21 24.836 3.950 -18.058 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.225 2.314 -17.905 1.00 0.00 H new ATOM 0 HD2 LYS A 21 23.117 2.448 -20.078 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.467 4.160 -20.211 1.00 0.00 H new ATOM 0 HE2 LYS A 21 25.106 2.964 -21.551 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.934 3.635 -20.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.727 1.485 -20.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.564 1.363 -19.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 25.200 0.822 -20.675 1.00 0.00 H new ATOM 308 N TYR A 22 20.114 5.283 -16.766 1.00 0.00 N ATOM 309 CA TYR A 22 19.148 5.700 -15.761 1.00 0.00 C ATOM 310 C TYR A 22 18.262 4.513 -15.355 1.00 0.00 C ATOM 311 O TYR A 22 18.282 3.461 -16.010 1.00 0.00 O ATOM 312 CB TYR A 22 18.368 6.917 -16.298 1.00 0.00 C ATOM 313 CG TYR A 22 16.905 6.663 -16.563 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.528 5.869 -17.658 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.938 7.128 -15.655 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.185 5.505 -17.828 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.590 6.792 -15.838 1.00 0.00 C ATOM 318 CZ TYR A 22 14.209 5.983 -16.928 1.00 0.00 C ATOM 319 OH TYR A 22 12.902 5.683 -17.122 1.00 0.00 O ATOM 0 H TYR A 22 19.755 4.584 -17.416 1.00 0.00 H new ATOM 0 HA TYR A 22 19.644 6.020 -14.844 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.457 7.733 -15.581 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.838 7.253 -17.223 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.272 5.539 -18.368 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.233 7.743 -14.818 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.898 4.860 -18.646 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.844 7.152 -15.145 1.00 0.00 H new ATOM 0 HH TYR A 22 12.733 5.560 -18.079 1.00 0.00 H new ATOM 329 N VAL A 23 17.484 4.687 -14.284 1.00 0.00 N ATOM 330 CA VAL A 23 16.516 3.718 -13.788 1.00 0.00 C ATOM 331 C VAL A 23 15.291 4.474 -13.241 1.00 0.00 C ATOM 332 O VAL A 23 15.407 5.620 -12.784 1.00 0.00 O ATOM 333 CB VAL A 23 17.215 2.800 -12.755 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.479 3.493 -11.410 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.461 1.485 -12.519 1.00 0.00 C ATOM 0 H VAL A 23 17.515 5.538 -13.722 1.00 0.00 H new ATOM 0 HA VAL A 23 16.145 3.065 -14.578 1.00 0.00 H new ATOM 0 HB VAL A 23 18.179 2.567 -13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.970 2.796 -10.732 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.121 4.360 -11.567 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.533 3.816 -10.975 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.999 0.884 -11.786 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.460 1.701 -12.147 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.388 0.934 -13.457 1.00 0.00 H new ATOM 345 N LEU A 24 14.131 3.809 -13.258 1.00 0.00 N ATOM 346 CA LEU A 24 12.857 4.305 -12.746 1.00 0.00 C ATOM 347 C LEU A 24 12.455 3.341 -11.638 1.00 0.00 C ATOM 348 O LEU A 24 12.265 2.157 -11.932 1.00 0.00 O ATOM 349 CB LEU A 24 11.816 4.303 -13.884 1.00 0.00 C ATOM 350 CG LEU A 24 10.400 4.793 -13.504 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.405 6.261 -13.082 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.462 4.624 -14.704 1.00 0.00 C ATOM 0 H LEU A 24 14.055 2.869 -13.647 1.00 0.00 H new ATOM 0 HA LEU A 24 12.926 5.325 -12.368 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.191 4.928 -14.694 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.736 3.289 -14.275 1.00 0.00 H new ATOM 0 HG LEU A 24 10.056 4.195 -12.660 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.392 6.568 -12.823 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.056 6.389 -12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.771 6.875 -13.905 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.463 4.969 -14.437 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.836 5.210 -15.544 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.419 3.572 -14.987 1.00 0.00 H new ATOM 364 N ILE A 25 12.350 3.790 -10.383 1.00 0.00 N ATOM 365 CA ILE A 25 12.073 2.890 -9.261 1.00 0.00 C ATOM 366 C ILE A 25 10.820 3.356 -8.526 1.00 0.00 C ATOM 367 O ILE A 25 10.675 4.541 -8.230 1.00 0.00 O ATOM 368 CB ILE A 25 13.323 2.612 -8.366 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.224 3.125 -6.912 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.670 3.058 -8.977 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.287 2.522 -5.988 1.00 0.00 C ATOM 0 H ILE A 25 12.453 4.770 -10.120 1.00 0.00 H new ATOM 0 HA ILE A 25 11.848 1.896 -9.648 1.00 0.00 H new ATOM 0 HB ILE A 25 13.312 1.523 -8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.322 4.211 -6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.235 2.893 -6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.479 2.824 -8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.835 2.532 -9.918 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.648 4.132 -9.161 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.164 2.922 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.175 1.438 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.279 2.776 -6.360 1.00 0.00 H new ATOM 383 N ARG A 26 9.915 2.416 -8.248 1.00 0.00 N ATOM 384 CA ARG A 26 8.758 2.599 -7.381 1.00 0.00 C ATOM 385 C ARG A 26 9.223 2.533 -5.936 1.00 0.00 C ATOM 386 O ARG A 26 10.104 1.731 -5.627 1.00 0.00 O ATOM 387 CB ARG A 26 7.746 1.483 -7.681 1.00 0.00 C ATOM 388 CG ARG A 26 6.487 1.547 -6.796 1.00 0.00 C ATOM 389 CD ARG A 26 5.278 0.871 -7.458 1.00 0.00 C ATOM 390 NE ARG A 26 4.794 1.692 -8.578 1.00 0.00 N ATOM 391 CZ ARG A 26 3.926 1.348 -9.532 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.353 0.146 -9.530 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.647 2.224 -10.491 1.00 0.00 N ATOM 0 H ARG A 26 9.973 1.474 -8.636 1.00 0.00 H new ATOM 0 HA ARG A 26 8.282 3.564 -7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.449 1.543 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.230 0.516 -7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.692 1.065 -5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.247 2.589 -6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.556 -0.120 -7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.482 0.734 -6.726 1.00 0.00 H new ATOM 0 HE ARG A 26 5.167 2.640 -8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.576 -0.524 -8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.691 -0.105 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.094 3.141 -10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.986 1.979 -11.229 1.00 0.00 H new ATOM 407 N VAL A 27 8.590 3.303 -5.060 1.00 0.00 N ATOM 408 CA VAL A 27 8.913 3.421 -3.647 1.00 0.00 C ATOM 409 C VAL A 27 7.582 3.335 -2.899 1.00 0.00 C ATOM 410 O VAL A 27 6.643 4.052 -3.255 1.00 0.00 O ATOM 411 CB VAL A 27 9.610 4.780 -3.412 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.038 4.944 -1.951 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.839 4.995 -4.315 1.00 0.00 C ATOM 0 H VAL A 27 7.800 3.889 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 27 9.589 2.640 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 27 8.865 5.533 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.525 5.910 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.161 4.890 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.734 4.148 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.282 5.967 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.572 4.212 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.533 4.958 -5.361 1.00 0.00 H new ATOM 423 N HIS A 28 7.488 2.458 -1.895 1.00 0.00 N ATOM 424 CA HIS A 28 6.280 2.259 -1.093 1.00 0.00 C ATOM 425 C HIS A 28 6.329 3.127 0.173 1.00 0.00 C ATOM 426 O HIS A 28 7.415 3.458 0.663 1.00 0.00 O ATOM 427 CB HIS A 28 6.150 0.767 -0.741 1.00 0.00 C ATOM 428 CG HIS A 28 6.152 -0.157 -1.942 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.343 -0.075 -3.054 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.970 -1.239 -2.135 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.664 -1.076 -3.888 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.658 -1.821 -3.371 1.00 0.00 N ATOM 0 H HIS A 28 8.263 1.857 -1.613 1.00 0.00 H new ATOM 0 HA HIS A 28 5.404 2.564 -1.666 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.971 0.488 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.226 0.616 -0.182 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.729 -1.586 -1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.190 -1.258 -4.841 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.095 -2.641 -3.792 1.00 0.00 H new ATOM 440 N SER A 29 5.164 3.484 0.724 1.00 0.00 N ATOM 441 CA SER A 29 4.974 4.430 1.830 1.00 0.00 C ATOM 442 C SER A 29 5.387 3.899 3.220 1.00 0.00 C ATOM 443 O SER A 29 4.681 4.126 4.205 1.00 0.00 O ATOM 444 CB SER A 29 3.507 4.886 1.818 1.00 0.00 C ATOM 445 OG SER A 29 2.642 3.769 1.865 1.00 0.00 O ATOM 0 H SER A 29 4.279 3.100 0.392 1.00 0.00 H new ATOM 0 HA SER A 29 5.650 5.268 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.316 5.538 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.309 5.470 0.919 1.00 0.00 H new ATOM 0 HG SER A 29 3.149 2.974 2.132 1.00 0.00 H new ATOM 451 N ALA A 30 6.516 3.194 3.326 1.00 0.00 N ATOM 452 CA ALA A 30 6.999 2.629 4.581 1.00 0.00 C ATOM 453 C ALA A 30 8.125 3.419 5.305 1.00 0.00 C ATOM 454 O ALA A 30 8.819 2.770 6.091 1.00 0.00 O ATOM 455 CB ALA A 30 7.375 1.159 4.321 1.00 0.00 C ATOM 0 H ALA A 30 7.125 2.999 2.531 1.00 0.00 H new ATOM 0 HA ALA A 30 6.184 2.705 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.741 0.708 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.497 0.615 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.154 1.112 3.560 1.00 0.00 H new ATOM 461 N PRO A 31 8.378 4.742 5.123 1.00 0.00 N ATOM 462 CA PRO A 31 9.394 5.449 5.909 1.00 0.00 C ATOM 463 C PRO A 31 9.352 5.128 7.408 1.00 0.00 C ATOM 464 O PRO A 31 8.313 5.273 8.054 1.00 0.00 O ATOM 465 CB PRO A 31 9.182 6.941 5.667 1.00 0.00 C ATOM 466 CG PRO A 31 8.608 6.978 4.259 1.00 0.00 C ATOM 467 CD PRO A 31 7.761 5.706 4.211 1.00 0.00 C ATOM 0 HA PRO A 31 10.381 5.120 5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.496 7.375 6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.116 7.499 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.007 7.872 4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.392 6.972 3.501 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.734 5.916 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.723 5.307 3.197 1.00 0.00 H new ATOM 475 N ARG A 32 10.496 4.689 7.942 1.00 0.00 N ATOM 476 CA ARG A 32 10.745 4.200 9.303 1.00 0.00 C ATOM 477 C ARG A 32 9.619 3.322 9.880 1.00 0.00 C ATOM 478 O ARG A 32 9.439 3.285 11.098 1.00 0.00 O ATOM 479 CB ARG A 32 11.119 5.393 10.211 1.00 0.00 C ATOM 480 CG ARG A 32 12.300 6.256 9.712 1.00 0.00 C ATOM 481 CD ARG A 32 13.609 5.493 9.448 1.00 0.00 C ATOM 482 NE ARG A 32 14.132 4.842 10.663 1.00 0.00 N ATOM 483 CZ ARG A 32 15.244 4.099 10.739 1.00 0.00 C ATOM 484 NH1 ARG A 32 16.015 3.895 9.671 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.585 3.552 11.902 1.00 0.00 N ATOM 0 H ARG A 32 11.349 4.664 7.383 1.00 0.00 H new ATOM 0 HA ARG A 32 11.590 3.513 9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.244 6.033 10.321 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.362 5.012 11.203 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.999 6.756 8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.496 7.035 10.449 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.439 4.739 8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.357 6.183 9.058 1.00 0.00 H new ATOM 0 HE ARG A 32 13.599 4.969 11.523 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.762 4.308 8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.858 3.326 9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.002 3.700 12.726 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.430 2.985 11.970 1.00 0.00 H new ATOM 499 N SER A 33 8.862 2.618 9.029 1.00 0.00 N ATOM 500 CA SER A 33 7.655 1.875 9.395 1.00 0.00 C ATOM 501 C SER A 33 6.675 2.717 10.243 1.00 0.00 C ATOM 502 O SER A 33 5.954 2.180 11.087 1.00 0.00 O ATOM 503 CB SER A 33 8.051 0.544 10.055 1.00 0.00 C ATOM 504 OG SER A 33 9.005 -0.158 9.268 1.00 0.00 O ATOM 0 H SER A 33 9.082 2.549 8.035 1.00 0.00 H new ATOM 0 HA SER A 33 7.097 1.642 8.488 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.463 0.735 11.046 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.164 -0.074 10.193 1.00 0.00 H new ATOM 0 HG SER A 33 9.240 -0.999 9.712 1.00 0.00 H new ATOM 510 N GLY A 34 6.654 4.040 10.043 1.00 0.00 N ATOM 511 CA GLY A 34 5.943 4.986 10.897 1.00 0.00 C ATOM 512 C GLY A 34 4.458 5.119 10.557 1.00 0.00 C ATOM 513 O GLY A 34 3.727 5.771 11.307 1.00 0.00 O ATOM 0 H GLY A 34 7.142 4.487 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.043 4.671 11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.416 5.965 10.814 1.00 0.00 H new ATOM 517 N ALA A 35 3.995 4.513 9.457 1.00 0.00 N ATOM 518 CA ALA A 35 2.599 4.506 9.036 1.00 0.00 C ATOM 519 C ALA A 35 2.295 3.169 8.341 1.00 0.00 C ATOM 520 O ALA A 35 3.173 2.648 7.648 1.00 0.00 O ATOM 521 CB ALA A 35 2.359 5.681 8.076 1.00 0.00 C ATOM 0 H ALA A 35 4.604 4.000 8.820 1.00 0.00 H new ATOM 0 HA ALA A 35 1.940 4.615 9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.317 5.683 7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.584 6.618 8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.006 5.577 7.205 1.00 0.00 H new ATOM 527 N PRO A 36 1.075 2.614 8.480 1.00 0.00 N ATOM 528 CA PRO A 36 0.691 1.329 7.889 1.00 0.00 C ATOM 529 C PRO A 36 0.196 1.439 6.437 1.00 0.00 C ATOM 530 O PRO A 36 -0.347 0.476 5.887 1.00 0.00 O ATOM 531 CB PRO A 36 -0.400 0.799 8.827 1.00 0.00 C ATOM 532 CG PRO A 36 -1.130 2.081 9.230 1.00 0.00 C ATOM 533 CD PRO A 36 0.010 3.091 9.355 1.00 0.00 C ATOM 0 HA PRO A 36 1.548 0.660 7.810 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.062 0.094 8.324 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.020 0.282 9.689 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.860 2.385 8.479 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.670 1.961 10.169 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.319 4.087 9.060 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.356 3.162 10.386 1.00 0.00 H new ATOM 541 N ALA A 37 0.348 2.614 5.826 1.00 0.00 N ATOM 542 CA ALA A 37 -0.016 2.897 4.448 1.00 0.00 C ATOM 543 C ALA A 37 0.700 1.963 3.458 1.00 0.00 C ATOM 544 O ALA A 37 1.771 1.425 3.758 1.00 0.00 O ATOM 545 CB ALA A 37 0.363 4.355 4.188 1.00 0.00 C ATOM 0 H ALA A 37 0.745 3.424 6.302 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.083 2.729 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.109 4.619 3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.184 5.001 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.434 4.485 4.342 1.00 0.00 H new ATOM 551 N ALA A 38 0.143 1.844 2.249 1.00 0.00 N ATOM 552 CA ALA A 38 0.743 1.137 1.118 1.00 0.00 C ATOM 553 C ALA A 38 0.521 1.923 -0.179 1.00 0.00 C ATOM 554 O ALA A 38 0.196 1.359 -1.227 1.00 0.00 O ATOM 555 CB ALA A 38 0.223 -0.305 1.053 1.00 0.00 C ATOM 0 H ALA A 38 -0.766 2.250 2.026 1.00 0.00 H new ATOM 0 HA ALA A 38 1.822 1.069 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.679 -0.818 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.481 -0.827 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.860 -0.296 0.932 1.00 0.00 H new ATOM 561 N GLU A 39 0.638 3.247 -0.084 1.00 0.00 N ATOM 562 CA GLU A 39 0.687 4.125 -1.240 1.00 0.00 C ATOM 563 C GLU A 39 2.069 3.971 -1.890 1.00 0.00 C ATOM 564 O GLU A 39 2.981 3.364 -1.315 1.00 0.00 O ATOM 565 CB GLU A 39 0.433 5.582 -0.811 1.00 0.00 C ATOM 566 CG GLU A 39 -0.937 5.811 -0.150 1.00 0.00 C ATOM 567 CD GLU A 39 -2.116 5.412 -1.057 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.318 6.045 -2.118 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.874 4.478 -0.707 1.00 0.00 O ATOM 0 H GLU A 39 0.702 3.739 0.807 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.088 3.859 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.215 5.887 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.515 6.227 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.988 5.238 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.033 6.863 0.120 1.00 0.00 H new ATOM 576 N SER A 40 2.261 4.495 -3.102 1.00 0.00 N ATOM 577 CA SER A 40 3.552 4.453 -3.782 1.00 0.00 C ATOM 578 C SER A 40 3.683 5.592 -4.792 1.00 0.00 C ATOM 579 O SER A 40 2.684 6.175 -5.224 1.00 0.00 O ATOM 580 CB SER A 40 3.744 3.107 -4.496 1.00 0.00 C ATOM 581 OG SER A 40 3.514 2.023 -3.615 1.00 0.00 O ATOM 0 H SER A 40 1.526 4.959 -3.637 1.00 0.00 H new ATOM 0 HA SER A 40 4.326 4.570 -3.024 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.062 3.041 -5.344 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.756 3.046 -4.896 1.00 0.00 H new ATOM 0 HG SER A 40 4.302 1.440 -3.601 1.00 0.00 H new ATOM 587 N LYS A 41 4.925 5.886 -5.175 1.00 0.00 N ATOM 588 CA LYS A 41 5.297 6.833 -6.227 1.00 0.00 C ATOM 589 C LYS A 41 6.641 6.409 -6.805 1.00 0.00 C ATOM 590 O LYS A 41 7.348 5.605 -6.194 1.00 0.00 O ATOM 591 CB LYS A 41 5.291 8.296 -5.729 1.00 0.00 C ATOM 592 CG LYS A 41 5.985 8.594 -4.388 1.00 0.00 C ATOM 593 CD LYS A 41 7.521 8.577 -4.329 1.00 0.00 C ATOM 594 CE LYS A 41 8.207 9.655 -5.177 1.00 0.00 C ATOM 595 NZ LYS A 41 7.848 11.040 -4.781 1.00 0.00 N ATOM 0 H LYS A 41 5.738 5.450 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 41 4.549 6.808 -7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.760 8.914 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.253 8.620 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.653 9.578 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.619 7.871 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.832 8.697 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.873 7.598 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.287 9.533 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.942 9.505 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.359 11.717 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.824 11.179 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.109 11.195 -3.786 1.00 0.00 H new ATOM 609 N GLU A 42 7.002 6.968 -7.956 1.00 0.00 N ATOM 610 CA GLU A 42 8.210 6.597 -8.674 1.00 0.00 C ATOM 611 C GLU A 42 9.223 7.731 -8.554 1.00 0.00 C ATOM 612 O GLU A 42 8.834 8.901 -8.473 1.00 0.00 O ATOM 613 CB GLU A 42 7.893 6.358 -10.157 1.00 0.00 C ATOM 614 CG GLU A 42 7.412 4.943 -10.497 1.00 0.00 C ATOM 615 CD GLU A 42 6.019 4.607 -9.949 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.912 4.201 -8.774 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.025 4.644 -10.709 1.00 0.00 O ATOM 0 H GLU A 42 6.458 7.697 -8.418 1.00 0.00 H new ATOM 0 HA GLU A 42 8.616 5.680 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.129 7.070 -10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.787 6.572 -10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.403 4.824 -11.580 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.129 4.223 -10.103 1.00 0.00 H new ATOM 624 N ILE A 43 10.510 7.389 -8.602 1.00 0.00 N ATOM 625 CA ILE A 43 11.628 8.326 -8.589 1.00 0.00 C ATOM 626 C ILE A 43 12.588 7.984 -9.729 1.00 0.00 C ATOM 627 O ILE A 43 12.630 6.844 -10.205 1.00 0.00 O ATOM 628 CB ILE A 43 12.338 8.345 -7.217 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.923 6.972 -6.824 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.376 8.867 -6.140 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.797 7.005 -5.566 1.00 0.00 C ATOM 0 H ILE A 43 10.811 6.416 -8.653 1.00 0.00 H new ATOM 0 HA ILE A 43 11.248 9.335 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 43 13.189 9.021 -7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.103 6.271 -6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.515 6.589 -7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.882 8.878 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.058 9.878 -6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.504 8.216 -6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.170 6.003 -5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.638 7.680 -5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.205 7.356 -4.721 1.00 0.00 H new ATOM 643 N VAL A 44 13.359 8.984 -10.149 1.00 0.00 N ATOM 644 CA VAL A 44 14.184 8.950 -11.349 1.00 0.00 C ATOM 645 C VAL A 44 15.624 9.224 -10.922 1.00 0.00 C ATOM 646 O VAL A 44 15.881 10.282 -10.338 1.00 0.00 O ATOM 647 CB VAL A 44 13.664 10.037 -12.320 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.435 10.055 -13.646 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.166 9.884 -12.632 1.00 0.00 C ATOM 0 H VAL A 44 13.427 9.868 -9.645 1.00 0.00 H new ATOM 0 HA VAL A 44 14.141 7.986 -11.856 1.00 0.00 H new ATOM 0 HB VAL A 44 13.826 10.979 -11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.031 10.835 -14.291 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.489 10.255 -13.451 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.334 9.088 -14.139 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.855 10.672 -13.317 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.988 8.912 -13.092 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.592 9.959 -11.708 1.00 0.00 H new ATOM 659 N ARG A 45 16.559 8.314 -11.222 1.00 0.00 N ATOM 660 CA ARG A 45 18.000 8.550 -11.064 1.00 0.00 C ATOM 661 C ARG A 45 18.690 8.194 -12.372 1.00 0.00 C ATOM 662 O ARG A 45 18.228 7.297 -13.079 1.00 0.00 O ATOM 663 CB ARG A 45 18.647 7.676 -9.968 1.00 0.00 C ATOM 664 CG ARG A 45 18.460 8.019 -8.483 1.00 0.00 C ATOM 665 CD ARG A 45 18.610 9.487 -8.079 1.00 0.00 C ATOM 666 NE ARG A 45 17.298 10.135 -7.993 1.00 0.00 N ATOM 667 CZ ARG A 45 16.521 10.255 -6.912 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.957 9.929 -5.699 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.281 10.696 -7.065 1.00 0.00 N ATOM 0 H ARG A 45 16.336 7.387 -11.584 1.00 0.00 H new ATOM 0 HA ARG A 45 18.118 9.597 -10.783 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.282 6.659 -10.111 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.720 7.660 -10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.467 7.686 -8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.180 7.436 -7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.119 9.555 -7.118 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.232 10.008 -8.807 1.00 0.00 H new ATOM 0 HE ARG A 45 16.937 10.541 -8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.906 9.577 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.342 10.031 -4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.936 10.936 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.671 10.795 -6.253 1.00 0.00 H new ATOM 683 N GLY A 46 19.838 8.812 -12.645 1.00 0.00 N ATOM 684 CA GLY A 46 20.708 8.420 -13.740 1.00 0.00 C ATOM 685 C GLY A 46 22.034 9.152 -13.644 1.00 0.00 C ATOM 686 O GLY A 46 22.051 10.371 -13.461 1.00 0.00 O ATOM 0 H GLY A 46 20.188 9.604 -12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.876 7.343 -13.713 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.229 8.644 -14.693 1.00 0.00 H new ATOM 690 N TYR A 47 23.134 8.410 -13.776 1.00 0.00 N ATOM 691 CA TYR A 47 24.491 8.924 -13.635 1.00 0.00 C ATOM 692 C TYR A 47 25.419 8.082 -14.505 1.00 0.00 C ATOM 693 O TYR A 47 25.177 6.887 -14.680 1.00 0.00 O ATOM 694 CB TYR A 47 24.966 8.798 -12.177 1.00 0.00 C ATOM 695 CG TYR A 47 24.083 9.427 -11.113 1.00 0.00 C ATOM 696 CD1 TYR A 47 24.304 10.753 -10.700 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.092 8.655 -10.479 1.00 0.00 C ATOM 698 CE1 TYR A 47 23.531 11.315 -9.670 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.326 9.200 -9.433 1.00 0.00 C ATOM 700 CZ TYR A 47 22.546 10.535 -9.022 1.00 0.00 C ATOM 701 OH TYR A 47 21.853 11.068 -7.977 1.00 0.00 O ATOM 0 H TYR A 47 23.102 7.413 -13.989 1.00 0.00 H new ATOM 0 HA TYR A 47 24.506 9.972 -13.933 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.075 7.738 -11.945 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.958 9.244 -12.103 1.00 0.00 H new ATOM 0 HD1 TYR A 47 25.072 11.343 -11.177 1.00 0.00 H new ATOM 0 HD2 TYR A 47 22.919 7.638 -10.798 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.689 12.341 -9.374 1.00 0.00 H new ATOM 0 HE2 TYR A 47 21.572 8.601 -8.945 1.00 0.00 H new ATOM 0 HH TYR A 47 21.212 10.408 -7.639 1.00 0.00 H new ATOM 711 N LYS A 48 26.516 8.665 -14.999 1.00 0.00 N ATOM 712 CA LYS A 48 27.528 7.904 -15.732 1.00 0.00 C ATOM 713 C LYS A 48 28.264 6.906 -14.834 1.00 0.00 C ATOM 714 O LYS A 48 28.698 5.871 -15.339 1.00 0.00 O ATOM 715 CB LYS A 48 28.498 8.838 -16.477 1.00 0.00 C ATOM 716 CG LYS A 48 29.287 9.808 -15.579 1.00 0.00 C ATOM 717 CD LYS A 48 30.261 10.640 -16.423 1.00 0.00 C ATOM 718 CE LYS A 48 30.938 11.721 -15.570 1.00 0.00 C ATOM 719 NZ LYS A 48 31.887 12.542 -16.363 1.00 0.00 N ATOM 0 H LYS A 48 26.724 9.659 -14.904 1.00 0.00 H new ATOM 0 HA LYS A 48 27.006 7.312 -16.484 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.206 8.228 -17.038 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.932 9.419 -17.205 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.598 10.467 -15.050 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.837 9.248 -14.822 1.00 0.00 H new ATOM 0 HD2 LYS A 48 31.018 9.989 -16.860 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.725 11.106 -17.250 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.177 12.367 -15.133 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.469 11.250 -14.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.245 13.322 -15.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.683 11.949 -16.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.399 12.931 -17.195 1.00 0.00 H new ATOM 733 N TRP A 49 28.404 7.181 -13.526 1.00 0.00 N ATOM 734 CA TRP A 49 29.071 6.247 -12.620 1.00 0.00 C ATOM 735 C TRP A 49 28.273 4.947 -12.488 1.00 0.00 C ATOM 736 O TRP A 49 28.876 3.876 -12.402 1.00 0.00 O ATOM 737 CB TRP A 49 29.403 6.891 -11.263 1.00 0.00 C ATOM 738 CG TRP A 49 28.305 7.562 -10.484 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.170 8.898 -10.325 1.00 0.00 C ATOM 740 CD2 TRP A 49 27.229 6.967 -9.687 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.095 9.170 -9.505 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.460 8.017 -9.098 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.820 5.649 -9.397 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.324 7.769 -8.310 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.666 5.390 -8.635 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.907 6.444 -8.103 1.00 0.00 C ATOM 0 H TRP A 49 28.066 8.035 -13.082 1.00 0.00 H new ATOM 0 HA TRP A 49 30.033 5.984 -13.060 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.831 6.116 -10.627 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.185 7.631 -11.433 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.810 9.643 -10.774 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.806 10.110 -9.233 1.00 0.00 H new ATOM 0 HE3 TRP A 49 27.405 4.821 -9.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.777 8.589 -7.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 25.361 4.369 -8.458 1.00 0.00 H new ATOM 0 HH2 TRP A 49 24.009 6.238 -7.539 1.00 0.00 H new ATOM 757 N ALA A 50 26.935 5.008 -12.533 1.00 0.00 N ATOM 758 CA ALA A 50 26.092 3.829 -12.632 1.00 0.00 C ATOM 759 C ALA A 50 26.044 3.395 -14.097 1.00 0.00 C ATOM 760 O ALA A 50 25.033 3.553 -14.783 1.00 0.00 O ATOM 761 CB ALA A 50 24.703 4.075 -12.050 1.00 0.00 C ATOM 0 H ALA A 50 26.414 5.884 -12.501 1.00 0.00 H new ATOM 0 HA ALA A 50 26.516 3.021 -12.035 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.104 3.169 -12.143 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.792 4.344 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.220 4.887 -12.593 1.00 0.00 H new ATOM 767 N GLU A 51 27.163 2.863 -14.585 1.00 0.00 N ATOM 768 CA GLU A 51 27.328 2.399 -15.960 1.00 0.00 C ATOM 769 C GLU A 51 26.370 1.235 -16.288 1.00 0.00 C ATOM 770 O GLU A 51 26.219 0.866 -17.452 1.00 0.00 O ATOM 771 CB GLU A 51 28.812 2.031 -16.166 1.00 0.00 C ATOM 772 CG GLU A 51 29.350 2.284 -17.584 1.00 0.00 C ATOM 773 CD GLU A 51 29.003 1.198 -18.620 1.00 0.00 C ATOM 774 OE1 GLU A 51 29.394 0.023 -18.438 1.00 0.00 O ATOM 775 OE2 GLU A 51 28.410 1.535 -19.671 1.00 0.00 O ATOM 0 H GLU A 51 28.002 2.740 -14.019 1.00 0.00 H new ATOM 0 HA GLU A 51 27.060 3.192 -16.659 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.414 2.600 -15.458 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.947 0.977 -15.924 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.961 3.239 -17.938 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.434 2.381 -17.532 1.00 0.00 H new ATOM 782 N TYR A 52 25.683 0.684 -15.283 1.00 0.00 N ATOM 783 CA TYR A 52 24.636 -0.316 -15.405 1.00 0.00 C ATOM 784 C TYR A 52 23.536 0.058 -14.411 1.00 0.00 C ATOM 785 O TYR A 52 23.813 0.468 -13.283 1.00 0.00 O ATOM 786 CB TYR A 52 25.175 -1.739 -15.157 1.00 0.00 C ATOM 787 CG TYR A 52 26.442 -1.833 -14.321 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.687 -1.609 -14.937 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.379 -2.106 -12.943 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.871 -1.633 -14.181 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.561 -2.147 -12.179 1.00 0.00 C ATOM 792 CZ TYR A 52 28.812 -1.906 -12.793 1.00 0.00 C ATOM 793 OH TYR A 52 29.947 -1.936 -12.039 1.00 0.00 O ATOM 0 H TYR A 52 25.858 0.943 -14.312 1.00 0.00 H new ATOM 0 HA TYR A 52 24.238 -0.327 -16.420 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.395 -2.322 -14.667 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.364 -2.208 -16.122 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.733 -1.417 -15.999 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.424 -2.284 -12.471 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.822 -1.444 -14.657 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.512 -2.363 -11.122 1.00 0.00 H new ATOM 0 HH TYR A 52 29.716 -2.137 -11.108 1.00 0.00 H new ATOM 803 N HIS A 53 22.282 -0.110 -14.835 1.00 0.00 N ATOM 804 CA HIS A 53 21.071 0.287 -14.108 1.00 0.00 C ATOM 805 C HIS A 53 20.979 -0.383 -12.733 1.00 0.00 C ATOM 806 O HIS A 53 20.447 0.201 -11.789 1.00 0.00 O ATOM 807 CB HIS A 53 19.820 -0.059 -14.940 1.00 0.00 C ATOM 808 CG HIS A 53 20.015 0.091 -16.429 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.819 1.224 -17.184 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.550 -0.861 -17.256 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.255 0.964 -18.429 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.716 -0.298 -18.523 1.00 0.00 N ATOM 0 H HIS A 53 22.072 -0.545 -15.733 1.00 0.00 H new ATOM 0 HA HIS A 53 21.124 1.364 -13.949 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.524 -1.086 -14.724 1.00 0.00 H new ATOM 0 HB3 HIS A 53 18.997 0.583 -14.625 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.416 2.102 -16.858 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.800 -1.874 -16.976 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.238 1.672 -19.244 1.00 0.00 H new ATOM 820 N ALA A 54 21.518 -1.602 -12.607 1.00 0.00 N ATOM 821 CA ALA A 54 21.557 -2.322 -11.342 1.00 0.00 C ATOM 822 C ALA A 54 22.312 -1.537 -10.270 1.00 0.00 C ATOM 823 O ALA A 54 21.965 -1.635 -9.094 1.00 0.00 O ATOM 824 CB ALA A 54 22.189 -3.701 -11.552 1.00 0.00 C ATOM 0 H ALA A 54 21.938 -2.112 -13.384 1.00 0.00 H new ATOM 0 HA ALA A 54 20.534 -2.447 -10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.217 -4.237 -10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.597 -4.267 -12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.204 -3.582 -11.931 1.00 0.00 H new ATOM 830 N ASP A 55 23.321 -0.745 -10.656 1.00 0.00 N ATOM 831 CA ASP A 55 24.126 -0.001 -9.693 1.00 0.00 C ATOM 832 C ASP A 55 23.293 1.092 -9.027 1.00 0.00 C ATOM 833 O ASP A 55 23.339 1.243 -7.807 1.00 0.00 O ATOM 834 CB ASP A 55 25.355 0.621 -10.365 1.00 0.00 C ATOM 835 CG ASP A 55 26.409 1.006 -9.316 1.00 0.00 C ATOM 836 OD1 ASP A 55 26.939 0.105 -8.626 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.745 2.202 -9.207 1.00 0.00 O ATOM 0 H ASP A 55 23.595 -0.607 -11.629 1.00 0.00 H new ATOM 0 HA ASP A 55 24.465 -0.704 -8.932 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.783 -0.085 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.059 1.504 -10.931 1.00 0.00 H new ATOM 842 N ILE A 56 22.481 1.818 -9.811 1.00 0.00 N ATOM 843 CA ILE A 56 21.571 2.819 -9.263 1.00 0.00 C ATOM 844 C ILE A 56 20.426 2.147 -8.522 1.00 0.00 C ATOM 845 O ILE A 56 20.073 2.644 -7.459 1.00 0.00 O ATOM 846 CB ILE A 56 21.024 3.851 -10.288 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.053 3.420 -11.777 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.679 5.204 -9.974 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.885 4.546 -12.801 1.00 0.00 C ATOM 0 H ILE A 56 22.441 1.726 -10.826 1.00 0.00 H new ATOM 0 HA ILE A 56 22.178 3.404 -8.572 1.00 0.00 H new ATOM 0 HB ILE A 56 19.945 3.934 -10.158 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.000 2.916 -11.971 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.263 2.687 -11.939 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.317 5.955 -10.676 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.424 5.505 -8.958 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.761 5.114 -10.065 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.921 4.130 -13.808 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.925 5.039 -12.646 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.689 5.272 -12.679 1.00 0.00 H new ATOM 861 N TYR A 57 19.857 1.039 -9.016 1.00 0.00 N ATOM 862 CA TYR A 57 18.787 0.378 -8.276 1.00 0.00 C ATOM 863 C TYR A 57 19.286 -0.021 -6.884 1.00 0.00 C ATOM 864 O TYR A 57 18.601 0.249 -5.899 1.00 0.00 O ATOM 865 CB TYR A 57 18.226 -0.835 -9.029 1.00 0.00 C ATOM 866 CG TYR A 57 17.186 -1.589 -8.214 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.036 -0.925 -7.738 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.409 -2.933 -7.854 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.127 -1.587 -6.893 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.495 -3.606 -7.024 1.00 0.00 C ATOM 871 CZ TYR A 57 15.356 -2.935 -6.525 1.00 0.00 C ATOM 872 OH TYR A 57 14.506 -3.599 -5.690 1.00 0.00 O ATOM 0 H TYR A 57 20.113 0.596 -9.898 1.00 0.00 H new ATOM 0 HA TYR A 57 17.966 1.087 -8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.779 -0.503 -9.966 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.042 -1.510 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.852 0.100 -8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.286 -3.448 -8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.255 -1.067 -6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.664 -4.641 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 57 13.793 -2.993 -5.399 1.00 0.00 H new ATOM 882 N ASP A 58 20.489 -0.595 -6.777 1.00 0.00 N ATOM 883 CA ASP A 58 21.070 -0.981 -5.496 1.00 0.00 C ATOM 884 C ASP A 58 21.344 0.238 -4.611 1.00 0.00 C ATOM 885 O ASP A 58 20.929 0.256 -3.451 1.00 0.00 O ATOM 886 CB ASP A 58 22.362 -1.775 -5.707 1.00 0.00 C ATOM 887 CG ASP A 58 23.003 -2.129 -4.355 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.514 -3.060 -3.678 1.00 0.00 O ATOM 889 OD2 ASP A 58 24.010 -1.494 -3.973 1.00 0.00 O ATOM 0 H ASP A 58 21.084 -0.803 -7.579 1.00 0.00 H new ATOM 0 HA ASP A 58 20.343 -1.613 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.149 -2.687 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.061 -1.191 -6.306 1.00 0.00 H new ATOM 894 N LYS A 59 21.996 1.274 -5.158 1.00 0.00 N ATOM 895 CA LYS A 59 22.319 2.502 -4.425 1.00 0.00 C ATOM 896 C LYS A 59 21.050 3.125 -3.865 1.00 0.00 C ATOM 897 O LYS A 59 20.977 3.433 -2.673 1.00 0.00 O ATOM 898 CB LYS A 59 23.080 3.461 -5.366 1.00 0.00 C ATOM 899 CG LYS A 59 23.528 4.799 -4.749 1.00 0.00 C ATOM 900 CD LYS A 59 22.460 5.909 -4.732 1.00 0.00 C ATOM 901 CE LYS A 59 23.061 7.289 -4.409 1.00 0.00 C ATOM 902 NZ LYS A 59 23.606 7.385 -3.028 1.00 0.00 N ATOM 0 H LYS A 59 22.315 1.281 -6.127 1.00 0.00 H new ATOM 0 HA LYS A 59 22.964 2.280 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 59 23.963 2.944 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.445 3.675 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 59 23.854 4.616 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 59 24.396 5.161 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 59 21.964 5.949 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 59 21.697 5.665 -3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 59 23.856 7.507 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.294 8.052 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.995 8.337 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.845 7.206 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 24.359 6.679 -2.902 1.00 0.00 H new ATOM 916 N VAL A 60 20.056 3.324 -4.725 1.00 0.00 N ATOM 917 CA VAL A 60 18.826 3.995 -4.362 1.00 0.00 C ATOM 918 C VAL A 60 18.059 3.128 -3.369 1.00 0.00 C ATOM 919 O VAL A 60 17.604 3.665 -2.364 1.00 0.00 O ATOM 920 CB VAL A 60 18.025 4.353 -5.620 1.00 0.00 C ATOM 921 CG1 VAL A 60 16.685 5.000 -5.245 1.00 0.00 C ATOM 922 CG2 VAL A 60 18.788 5.367 -6.477 1.00 0.00 C ATOM 0 H VAL A 60 20.088 3.020 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 60 19.034 4.942 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 60 17.864 3.426 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.133 5.246 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.101 4.304 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 60 16.868 5.910 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.202 5.607 -7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 60 18.960 6.275 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 60 19.745 4.941 -6.778 1.00 0.00 H new ATOM 932 N SER A 61 17.958 1.813 -3.581 1.00 0.00 N ATOM 933 CA SER A 61 17.282 0.938 -2.631 1.00 0.00 C ATOM 934 C SER A 61 17.939 1.013 -1.253 1.00 0.00 C ATOM 935 O SER A 61 17.219 1.016 -0.262 1.00 0.00 O ATOM 936 CB SER A 61 17.248 -0.504 -3.135 1.00 0.00 C ATOM 937 OG SER A 61 16.565 -0.561 -4.366 1.00 0.00 O ATOM 0 H SER A 61 18.335 1.336 -4.400 1.00 0.00 H new ATOM 0 HA SER A 61 16.253 1.286 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.263 -0.882 -3.254 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.753 -1.143 -2.404 1.00 0.00 H new ATOM 0 HG SER A 61 17.163 -0.271 -5.086 1.00 0.00 H new ATOM 943 N GLY A 62 19.269 1.134 -1.176 1.00 0.00 N ATOM 944 CA GLY A 62 19.972 1.325 0.083 1.00 0.00 C ATOM 945 C GLY A 62 19.495 2.590 0.796 1.00 0.00 C ATOM 946 O GLY A 62 19.112 2.527 1.965 1.00 0.00 O ATOM 0 H GLY A 62 19.883 1.101 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.813 0.460 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 62 21.044 1.391 -0.102 1.00 0.00 H new ATOM 950 N ASP A 63 19.467 3.730 0.096 1.00 0.00 N ATOM 951 CA ASP A 63 19.033 4.993 0.693 1.00 0.00 C ATOM 952 C ASP A 63 17.556 4.938 1.078 1.00 0.00 C ATOM 953 O ASP A 63 17.201 5.281 2.204 1.00 0.00 O ATOM 954 CB ASP A 63 19.288 6.182 -0.238 1.00 0.00 C ATOM 955 CG ASP A 63 18.996 7.500 0.499 1.00 0.00 C ATOM 956 OD1 ASP A 63 17.836 7.965 0.492 1.00 0.00 O ATOM 957 OD2 ASP A 63 19.944 8.067 1.090 1.00 0.00 O ATOM 0 H ASP A 63 19.740 3.801 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 63 19.628 5.138 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.322 6.170 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.657 6.103 -1.123 1.00 0.00 H new ATOM 962 N MET A 64 16.694 4.441 0.189 1.00 0.00 N ATOM 963 CA MET A 64 15.271 4.298 0.469 1.00 0.00 C ATOM 964 C MET A 64 15.036 3.397 1.679 1.00 0.00 C ATOM 965 O MET A 64 14.222 3.735 2.534 1.00 0.00 O ATOM 966 CB MET A 64 14.540 3.746 -0.761 1.00 0.00 C ATOM 967 CG MET A 64 14.527 4.684 -1.978 1.00 0.00 C ATOM 968 SD MET A 64 13.682 6.268 -1.731 1.00 0.00 S ATOM 969 CE MET A 64 15.123 7.318 -1.418 1.00 0.00 C ATOM 0 H MET A 64 16.966 4.128 -0.743 1.00 0.00 H new ATOM 0 HA MET A 64 14.870 5.284 0.703 1.00 0.00 H new ATOM 0 HB2 MET A 64 15.006 2.804 -1.051 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.511 3.520 -0.483 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.557 4.883 -2.272 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.052 4.165 -2.810 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.792 8.290 -1.052 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.761 6.847 -0.670 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.684 7.450 -2.343 1.00 0.00 H new ATOM 979 N GLN A 65 15.748 2.278 1.808 1.00 0.00 N ATOM 980 CA GLN A 65 15.597 1.366 2.931 1.00 0.00 C ATOM 981 C GLN A 65 16.141 1.970 4.229 1.00 0.00 C ATOM 982 O GLN A 65 15.595 1.685 5.293 1.00 0.00 O ATOM 983 CB GLN A 65 16.308 0.047 2.606 1.00 0.00 C ATOM 984 CG GLN A 65 15.499 -0.839 1.642 1.00 0.00 C ATOM 985 CD GLN A 65 16.309 -2.014 1.084 1.00 0.00 C ATOM 986 OE1 GLN A 65 17.294 -2.468 1.664 1.00 0.00 O ATOM 987 NE2 GLN A 65 15.906 -2.551 -0.058 1.00 0.00 N ATOM 0 H GLN A 65 16.449 1.981 1.129 1.00 0.00 H new ATOM 0 HA GLN A 65 14.534 1.180 3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.282 0.262 2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.490 -0.501 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.622 -1.224 2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.137 -0.229 0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.089 -2.174 -0.539 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.413 -3.341 -0.457 1.00 0.00 H new ATOM 996 N LYS A 66 17.164 2.831 4.173 1.00 0.00 N ATOM 997 CA LYS A 66 17.600 3.617 5.327 1.00 0.00 C ATOM 998 C LYS A 66 16.473 4.567 5.748 1.00 0.00 C ATOM 999 O LYS A 66 16.177 4.663 6.942 1.00 0.00 O ATOM 1000 CB LYS A 66 18.900 4.339 4.943 1.00 0.00 C ATOM 1001 CG LYS A 66 19.397 5.399 5.939 1.00 0.00 C ATOM 1002 CD LYS A 66 20.567 6.194 5.338 1.00 0.00 C ATOM 1003 CE LYS A 66 20.095 7.111 4.195 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.205 7.840 3.540 1.00 0.00 N ATOM 0 H LYS A 66 17.710 3.000 3.328 1.00 0.00 H new ATOM 0 HA LYS A 66 17.812 2.991 6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.684 3.592 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.755 4.818 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.582 6.077 6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.714 4.917 6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.039 6.794 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.324 5.504 4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.571 6.513 3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.377 7.831 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.004 7.939 2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.301 8.783 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.091 7.310 3.667 1.00 0.00 H new ATOM 1018 N GLN A 67 15.801 5.224 4.792 1.00 0.00 N ATOM 1019 CA GLN A 67 14.596 6.002 5.085 1.00 0.00 C ATOM 1020 C GLN A 67 13.465 5.097 5.598 1.00 0.00 C ATOM 1021 O GLN A 67 12.634 5.555 6.373 1.00 0.00 O ATOM 1022 CB GLN A 67 14.155 6.846 3.874 1.00 0.00 C ATOM 1023 CG GLN A 67 15.234 7.857 3.442 1.00 0.00 C ATOM 1024 CD GLN A 67 14.724 8.904 2.448 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.684 9.525 2.647 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.449 9.158 1.369 1.00 0.00 N ATOM 0 H GLN A 67 16.074 5.230 3.809 1.00 0.00 H new ATOM 0 HA GLN A 67 14.840 6.703 5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.924 6.185 3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.238 7.380 4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.621 8.364 4.326 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.068 7.317 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.313 8.643 1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.143 9.869 0.705 1.00 0.00 H new ATOM 1035 N GLY A 68 13.448 3.815 5.223 1.00 0.00 N ATOM 1036 CA GLY A 68 12.588 2.751 5.748 1.00 0.00 C ATOM 1037 C GLY A 68 11.749 2.064 4.665 1.00 0.00 C ATOM 1038 O GLY A 68 11.065 1.081 4.945 1.00 0.00 O ATOM 0 H GLY A 68 14.076 3.470 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.207 2.005 6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.923 3.170 6.503 1.00 0.00 H new ATOM 1042 N CYS A 69 11.780 2.592 3.440 1.00 0.00 N ATOM 1043 CA CYS A 69 10.942 2.178 2.329 1.00 0.00 C ATOM 1044 C CYS A 69 11.352 0.803 1.791 1.00 0.00 C ATOM 1045 O CYS A 69 12.421 0.279 2.103 1.00 0.00 O ATOM 1046 CB CYS A 69 11.062 3.235 1.224 1.00 0.00 C ATOM 1047 SG CYS A 69 10.203 4.752 1.713 1.00 0.00 S ATOM 0 H CYS A 69 12.417 3.349 3.192 1.00 0.00 H new ATOM 0 HA CYS A 69 9.911 2.092 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.113 3.450 1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.638 2.851 0.296 1.00 0.00 H new ATOM 0 HG CYS A 69 8.941 4.651 1.417 1.00 0.00 H new ATOM 1053 N ASP A 70 10.516 0.265 0.908 1.00 0.00 N ATOM 1054 CA ASP A 70 10.783 -0.913 0.090 1.00 0.00 C ATOM 1055 C ASP A 70 10.506 -0.452 -1.338 1.00 0.00 C ATOM 1056 O ASP A 70 9.585 0.350 -1.545 1.00 0.00 O ATOM 1057 CB ASP A 70 9.906 -2.095 0.514 1.00 0.00 C ATOM 1058 CG ASP A 70 10.115 -3.299 -0.420 1.00 0.00 C ATOM 1059 OD1 ASP A 70 11.278 -3.694 -0.653 1.00 0.00 O ATOM 1060 OD2 ASP A 70 9.113 -3.873 -0.902 1.00 0.00 O ATOM 0 H ASP A 70 9.590 0.657 0.735 1.00 0.00 H new ATOM 0 HA ASP A 70 11.803 -1.281 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.144 -2.380 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.857 -1.798 0.501 1.00 0.00 H new ATOM 1065 N CYS A 71 11.323 -0.887 -2.300 1.00 0.00 N ATOM 1066 CA CYS A 71 11.324 -0.331 -3.649 1.00 0.00 C ATOM 1067 C CYS A 71 11.593 -1.382 -4.724 1.00 0.00 C ATOM 1068 O CYS A 71 12.153 -2.442 -4.437 1.00 0.00 O ATOM 1069 CB CYS A 71 12.445 0.716 -3.734 1.00 0.00 C ATOM 1070 SG CYS A 71 12.323 1.954 -2.420 1.00 0.00 S ATOM 0 H CYS A 71 12.002 -1.636 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 71 10.336 0.092 -3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.412 0.217 -3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.404 1.212 -4.704 1.00 0.00 H new ATOM 0 HG CYS A 71 12.997 1.554 -1.383 1.00 0.00 H new ATOM 1076 N GLU A 72 11.277 -1.057 -5.981 1.00 0.00 N ATOM 1077 CA GLU A 72 11.453 -1.944 -7.120 1.00 0.00 C ATOM 1078 C GLU A 72 11.742 -1.097 -8.358 1.00 0.00 C ATOM 1079 O GLU A 72 11.008 -0.150 -8.640 1.00 0.00 O ATOM 1080 CB GLU A 72 10.168 -2.774 -7.283 1.00 0.00 C ATOM 1081 CG GLU A 72 10.219 -3.654 -8.534 1.00 0.00 C ATOM 1082 CD GLU A 72 9.066 -4.673 -8.564 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.953 -4.335 -9.027 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.266 -5.835 -8.141 1.00 0.00 O ATOM 0 H GLU A 72 10.884 -0.150 -6.234 1.00 0.00 H new ATOM 0 HA GLU A 72 12.291 -2.626 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.025 -3.401 -6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.308 -2.106 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.171 -3.025 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.172 -4.182 -8.568 1.00 0.00 H new ATOM 1091 N CYS A 73 12.809 -1.418 -9.095 1.00 0.00 N ATOM 1092 CA CYS A 73 13.079 -0.847 -10.408 1.00 0.00 C ATOM 1093 C CYS A 73 11.959 -1.324 -11.345 1.00 0.00 C ATOM 1094 O CYS A 73 11.863 -2.514 -11.654 1.00 0.00 O ATOM 1095 CB CYS A 73 14.480 -1.259 -10.907 1.00 0.00 C ATOM 1096 SG CYS A 73 14.851 -2.998 -10.514 1.00 0.00 S ATOM 0 H CYS A 73 13.514 -2.089 -8.790 1.00 0.00 H new ATOM 0 HA CYS A 73 13.086 0.242 -10.372 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.541 -1.109 -11.985 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.232 -0.615 -10.452 1.00 0.00 H new ATOM 0 HG CYS A 73 15.746 -3.449 -11.342 1.00 0.00 H new ATOM 1102 N LEU A 74 11.088 -0.412 -11.785 1.00 0.00 N ATOM 1103 CA LEU A 74 10.053 -0.732 -12.766 1.00 0.00 C ATOM 1104 C LEU A 74 10.691 -1.030 -14.126 1.00 0.00 C ATOM 1105 O LEU A 74 10.135 -1.788 -14.920 1.00 0.00 O ATOM 1106 CB LEU A 74 9.049 0.425 -12.898 1.00 0.00 C ATOM 1107 CG LEU A 74 8.230 0.734 -11.629 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.173 1.787 -11.969 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.534 -0.499 -11.040 1.00 0.00 C ATOM 0 H LEU A 74 11.081 0.559 -11.474 1.00 0.00 H new ATOM 0 HA LEU A 74 9.516 -1.616 -12.422 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.592 1.324 -13.188 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.358 0.194 -13.709 1.00 0.00 H new ATOM 0 HG LEU A 74 8.929 1.095 -10.875 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.586 2.014 -11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.664 2.694 -12.322 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.515 1.403 -12.749 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.976 -0.211 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.850 -0.918 -11.778 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.282 -1.246 -10.774 1.00 0.00 H new ATOM 1121 N GLY A 75 11.861 -0.445 -14.385 1.00 0.00 N ATOM 1122 CA GLY A 75 12.671 -0.656 -15.567 1.00 0.00 C ATOM 1123 C GLY A 75 13.783 0.383 -15.565 1.00 0.00 C ATOM 1124 O GLY A 75 13.987 1.089 -14.572 1.00 0.00 O ATOM 0 H GLY A 75 12.283 0.221 -13.738 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.090 -1.662 -15.568 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.064 -0.563 -16.467 1.00 0.00 H new ATOM 1128 N GLY A 76 14.467 0.527 -16.691 1.00 0.00 N ATOM 1129 CA GLY A 76 15.410 1.612 -16.906 1.00 0.00 C ATOM 1130 C GLY A 76 15.638 1.800 -18.395 1.00 0.00 C ATOM 1131 O GLY A 76 14.885 1.266 -19.216 1.00 0.00 O ATOM 0 H GLY A 76 14.382 -0.109 -17.484 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.026 2.533 -16.467 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.354 1.391 -16.408 1.00 0.00 H new ATOM 1135 N GLY A 77 16.680 2.549 -18.736 1.00 0.00 N ATOM 1136 CA GLY A 77 16.998 2.914 -20.103 1.00 0.00 C ATOM 1137 C GLY A 77 18.275 3.740 -20.133 1.00 0.00 C ATOM 1138 O GLY A 77 19.018 3.799 -19.146 1.00 0.00 O ATOM 0 H GLY A 77 17.338 2.925 -18.053 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.120 2.017 -20.709 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.176 3.483 -20.538 1.00 0.00 H new ATOM 1142 N ARG A 78 18.518 4.403 -21.258 1.00 0.00 N ATOM 1143 CA ARG A 78 19.685 5.243 -21.487 1.00 0.00 C ATOM 1144 C ARG A 78 19.187 6.655 -21.774 1.00 0.00 C ATOM 1145 O ARG A 78 18.078 6.841 -22.284 1.00 0.00 O ATOM 1146 CB ARG A 78 20.526 4.621 -22.619 1.00 0.00 C ATOM 1147 CG ARG A 78 21.868 5.332 -22.849 1.00 0.00 C ATOM 1148 CD ARG A 78 22.845 4.503 -23.698 1.00 0.00 C ATOM 1149 NE ARG A 78 22.480 4.463 -25.126 1.00 0.00 N ATOM 1150 CZ ARG A 78 23.310 4.539 -26.173 1.00 0.00 C ATOM 1151 NH1 ARG A 78 24.630 4.623 -26.006 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.807 4.518 -27.399 1.00 0.00 N ATOM 0 H ARG A 78 17.888 4.369 -22.060 1.00 0.00 H new ATOM 0 HA ARG A 78 20.344 5.304 -20.621 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.715 3.573 -22.386 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.949 4.644 -23.544 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.688 6.288 -23.341 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.327 5.551 -21.885 1.00 0.00 H new ATOM 0 HD2 ARG A 78 23.848 4.918 -23.597 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.881 3.485 -23.310 1.00 0.00 H new ATOM 0 HE ARG A 78 21.487 4.367 -25.339 1.00 0.00 H new ATOM 0 HH11 ARG A 78 25.026 4.630 -25.066 1.00 0.00 H new ATOM 0 HH12 ARG A 78 25.244 4.680 -26.818 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.799 4.445 -27.535 1.00 0.00 H new ATOM 0 HH22 ARG A 78 23.428 4.575 -28.206 1.00 0.00 H new ATOM 1166 N ILE A 79 19.990 7.649 -21.424 1.00 0.00 N ATOM 1167 CA ILE A 79 19.668 9.056 -21.558 1.00 0.00 C ATOM 1168 C ILE A 79 20.841 9.679 -22.303 1.00 0.00 C ATOM 1169 O ILE A 79 22.001 9.362 -22.024 1.00 0.00 O ATOM 1170 CB ILE A 79 19.404 9.684 -20.167 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.134 9.053 -19.551 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.241 11.212 -20.276 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.630 9.698 -18.250 1.00 0.00 C ATOM 0 H ILE A 79 20.915 7.489 -21.025 1.00 0.00 H new ATOM 0 HA ILE A 79 18.749 9.230 -22.118 1.00 0.00 H new ATOM 0 HB ILE A 79 20.259 9.482 -19.522 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.334 9.098 -20.290 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.332 7.999 -19.359 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.057 11.630 -19.286 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.151 11.646 -20.689 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.400 11.442 -20.930 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.736 9.176 -17.908 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.405 9.630 -17.486 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.391 10.746 -18.432 1.00 0.00 H new ATOM 1185 N SER A 80 20.531 10.569 -23.242 1.00 0.00 N ATOM 1186 CA SER A 80 21.492 11.128 -24.175 1.00 0.00 C ATOM 1187 C SER A 80 21.213 12.618 -24.346 1.00 0.00 C ATOM 1188 O SER A 80 20.062 13.059 -24.326 1.00 0.00 O ATOM 1189 CB SER A 80 21.390 10.380 -25.512 1.00 0.00 C ATOM 1190 OG SER A 80 21.664 9.003 -25.339 1.00 0.00 O ATOM 0 H SER A 80 19.585 10.926 -23.374 1.00 0.00 H new ATOM 0 HA SER A 80 22.507 11.012 -23.796 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.391 10.507 -25.930 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.092 10.808 -26.228 1.00 0.00 H new ATOM 0 HG SER A 80 21.296 8.499 -26.094 1.00 0.00 H new ATOM 1196 N HIS A 81 22.288 13.379 -24.540 1.00 0.00 N ATOM 1197 CA HIS A 81 22.301 14.834 -24.650 1.00 0.00 C ATOM 1198 C HIS A 81 22.978 15.228 -25.976 1.00 0.00 C ATOM 1199 O HIS A 81 23.559 16.305 -26.111 1.00 0.00 O ATOM 1200 CB HIS A 81 22.997 15.388 -23.395 1.00 0.00 C ATOM 1201 CG HIS A 81 22.943 16.885 -23.215 1.00 0.00 C ATOM 1202 ND1 HIS A 81 21.905 17.740 -23.529 1.00 0.00 N ATOM 1203 CD2 HIS A 81 23.943 17.652 -22.676 1.00 0.00 C ATOM 1204 CE1 HIS A 81 22.284 18.982 -23.197 1.00 0.00 C ATOM 1205 NE2 HIS A 81 23.520 18.988 -22.666 1.00 0.00 N ATOM 0 H HIS A 81 23.221 12.976 -24.629 1.00 0.00 H new ATOM 0 HA HIS A 81 21.301 15.266 -24.684 1.00 0.00 H new ATOM 0 HB2 HIS A 81 22.548 14.920 -22.519 1.00 0.00 H new ATOM 0 HB3 HIS A 81 24.043 15.082 -23.419 1.00 0.00 H new ATOM 0 HD1 HIS A 81 21.010 17.474 -23.940 1.00 0.00 H new ATOM 0 HD2 HIS A 81 24.895 17.288 -22.319 1.00 0.00 H new ATOM 0 HE1 HIS A 81 21.676 19.863 -23.338 1.00 0.00 H new ATOM 1213 N GLN A 82 22.908 14.342 -26.979 1.00 0.00 N ATOM 1214 CA GLN A 82 23.433 14.553 -28.332 1.00 0.00 C ATOM 1215 C GLN A 82 22.518 15.476 -29.162 1.00 0.00 C ATOM 1216 O GLN A 82 22.652 15.572 -30.382 1.00 0.00 O ATOM 1217 CB GLN A 82 23.646 13.186 -29.016 1.00 0.00 C ATOM 1218 CG GLN A 82 24.537 12.211 -28.221 1.00 0.00 C ATOM 1219 CD GLN A 82 25.924 12.787 -27.922 1.00 0.00 C ATOM 1220 OE1 GLN A 82 26.690 13.112 -28.826 1.00 0.00 O ATOM 1221 NE2 GLN A 82 26.280 12.940 -26.656 1.00 0.00 N ATOM 0 H GLN A 82 22.469 13.428 -26.865 1.00 0.00 H new ATOM 0 HA GLN A 82 24.394 15.062 -28.262 1.00 0.00 H new ATOM 0 HB2 GLN A 82 22.675 12.720 -29.181 1.00 0.00 H new ATOM 0 HB3 GLN A 82 24.092 13.349 -29.997 1.00 0.00 H new ATOM 0 HG2 GLN A 82 24.044 11.957 -27.283 1.00 0.00 H new ATOM 0 HG3 GLN A 82 24.647 11.284 -28.784 1.00 0.00 H new ATOM 0 HE21 GLN A 82 25.640 12.668 -25.910 1.00 0.00 H new ATOM 0 HE22 GLN A 82 27.194 13.330 -26.427 1.00 0.00 H new ATOM 1230 N SER A 83 21.579 16.148 -28.498 1.00 0.00 N ATOM 1231 CA SER A 83 20.567 17.047 -29.022 1.00 0.00 C ATOM 1232 C SER A 83 21.135 18.264 -29.769 1.00 0.00 C ATOM 1233 O SER A 83 20.399 18.895 -30.528 1.00 0.00 O ATOM 1234 CB SER A 83 19.771 17.547 -27.805 1.00 0.00 C ATOM 1235 OG SER A 83 19.594 16.538 -26.816 1.00 0.00 O ATOM 0 H SER A 83 21.506 16.065 -27.484 1.00 0.00 H new ATOM 0 HA SER A 83 19.966 16.503 -29.751 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.288 18.398 -27.362 1.00 0.00 H new ATOM 0 HB3 SER A 83 18.795 17.903 -28.135 1.00 0.00 H new ATOM 0 HG SER A 83 19.450 16.958 -25.942 1.00 0.00 H new ATOM 1241 N GLN A 84 22.417 18.604 -29.549 1.00 0.00 N ATOM 1242 CA GLN A 84 23.043 19.854 -29.997 1.00 0.00 C ATOM 1243 C GLN A 84 22.217 21.063 -29.507 1.00 0.00 C ATOM 1244 O GLN A 84 22.089 22.080 -30.192 1.00 0.00 O ATOM 1245 CB GLN A 84 23.313 19.841 -31.517 1.00 0.00 C ATOM 1246 CG GLN A 84 24.196 18.665 -31.961 1.00 0.00 C ATOM 1247 CD GLN A 84 24.508 18.740 -33.457 1.00 0.00 C ATOM 1248 OE1 GLN A 84 23.713 18.328 -34.300 1.00 0.00 O ATOM 1249 NE2 GLN A 84 25.664 19.269 -33.830 1.00 0.00 N ATOM 0 H GLN A 84 23.061 17.998 -29.041 1.00 0.00 H new ATOM 0 HA GLN A 84 24.029 19.950 -29.543 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.363 19.795 -32.049 1.00 0.00 H new ATOM 0 HB3 GLN A 84 23.793 20.777 -31.803 1.00 0.00 H new ATOM 0 HG2 GLN A 84 25.126 18.670 -31.392 1.00 0.00 H new ATOM 0 HG3 GLN A 84 23.692 17.724 -31.739 1.00 0.00 H new ATOM 0 HE21 GLN A 84 26.320 19.609 -33.127 1.00 0.00 H new ATOM 0 HE22 GLN A 84 25.898 19.336 -34.820 1.00 0.00 H new ATOM 1258 N ASP A 85 21.612 20.919 -28.325 1.00 0.00 N ATOM 1259 CA ASP A 85 20.653 21.823 -27.699 1.00 0.00 C ATOM 1260 C ASP A 85 20.624 21.472 -26.205 1.00 0.00 C ATOM 1261 O ASP A 85 21.040 20.371 -25.829 1.00 0.00 O ATOM 1262 CB ASP A 85 19.267 21.606 -28.328 1.00 0.00 C ATOM 1263 CG ASP A 85 18.224 22.560 -27.737 1.00 0.00 C ATOM 1264 OD1 ASP A 85 18.097 23.700 -28.237 1.00 0.00 O ATOM 1265 OD2 ASP A 85 17.557 22.171 -26.756 1.00 0.00 O ATOM 0 H ASP A 85 21.796 20.105 -27.739 1.00 0.00 H new ATOM 0 HA ASP A 85 20.931 22.867 -27.842 1.00 0.00 H new ATOM 0 HB2 ASP A 85 19.328 21.756 -29.406 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.951 20.575 -28.167 1.00 0.00 H new ATOM 1270 N LYS A 86 20.147 22.372 -25.339 1.00 0.00 N ATOM 1271 CA LYS A 86 20.031 22.109 -23.903 1.00 0.00 C ATOM 1272 C LYS A 86 19.082 20.940 -23.563 1.00 0.00 C ATOM 1273 O LYS A 86 19.206 20.371 -22.479 1.00 0.00 O ATOM 1274 CB LYS A 86 19.685 23.392 -23.122 1.00 0.00 C ATOM 1275 CG LYS A 86 18.356 24.083 -23.484 1.00 0.00 C ATOM 1276 CD LYS A 86 18.398 25.128 -24.614 1.00 0.00 C ATOM 1277 CE LYS A 86 19.325 26.329 -24.355 1.00 0.00 C ATOM 1278 NZ LYS A 86 18.877 27.180 -23.221 1.00 0.00 N ATOM 0 H LYS A 86 19.831 23.302 -25.614 1.00 0.00 H new ATOM 0 HA LYS A 86 21.016 21.779 -23.574 1.00 0.00 H new ATOM 0 HB2 LYS A 86 19.664 23.149 -22.060 1.00 0.00 H new ATOM 0 HB3 LYS A 86 20.493 24.109 -23.269 1.00 0.00 H new ATOM 0 HG2 LYS A 86 17.638 23.312 -23.762 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.971 24.569 -22.587 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.715 24.635 -25.533 1.00 0.00 H new ATOM 0 HD3 LYS A 86 17.387 25.498 -24.784 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.332 25.965 -24.152 1.00 0.00 H new ATOM 0 HE3 LYS A 86 19.382 26.938 -25.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.541 27.971 -23.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.927 27.554 -23.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 18.849 26.612 -22.350 1.00 0.00 H new ATOM 1292 N LYS A 87 18.152 20.569 -24.450 1.00 0.00 N ATOM 1293 CA LYS A 87 17.254 19.423 -24.280 1.00 0.00 C ATOM 1294 C LYS A 87 18.031 18.116 -24.082 1.00 0.00 C ATOM 1295 O LYS A 87 19.170 17.967 -24.537 1.00 0.00 O ATOM 1296 CB LYS A 87 16.295 19.397 -25.486 1.00 0.00 C ATOM 1297 CG LYS A 87 15.311 18.217 -25.540 1.00 0.00 C ATOM 1298 CD LYS A 87 14.167 18.475 -26.536 1.00 0.00 C ATOM 1299 CE LYS A 87 13.146 19.451 -25.929 1.00 0.00 C ATOM 1300 NZ LYS A 87 12.023 19.775 -26.842 1.00 0.00 N ATOM 0 H LYS A 87 18.000 21.069 -25.326 1.00 0.00 H new ATOM 0 HA LYS A 87 16.665 19.527 -23.369 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.721 20.323 -25.488 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.891 19.389 -26.399 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.845 17.311 -25.826 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.897 18.043 -24.547 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.567 18.886 -27.463 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.677 17.535 -26.790 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.745 19.021 -25.011 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.657 20.373 -25.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.261 20.236 -26.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.357 20.417 -27.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.662 18.900 -27.273 1.00 0.00 H new ATOM 1314 N ILE A 88 17.390 17.135 -23.450 1.00 0.00 N ATOM 1315 CA ILE A 88 17.926 15.801 -23.184 1.00 0.00 C ATOM 1316 C ILE A 88 16.828 14.813 -23.608 1.00 0.00 C ATOM 1317 O ILE A 88 15.647 15.178 -23.642 1.00 0.00 O ATOM 1318 CB ILE A 88 18.330 15.641 -21.688 1.00 0.00 C ATOM 1319 CG1 ILE A 88 18.900 16.933 -21.045 1.00 0.00 C ATOM 1320 CG2 ILE A 88 19.341 14.491 -21.531 1.00 0.00 C ATOM 1321 CD1 ILE A 88 19.257 16.809 -19.558 1.00 0.00 C ATOM 0 H ILE A 88 16.442 17.253 -23.094 1.00 0.00 H new ATOM 0 HA ILE A 88 18.842 15.615 -23.744 1.00 0.00 H new ATOM 0 HB ILE A 88 17.408 15.414 -21.153 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.792 17.232 -21.595 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.170 17.733 -21.163 1.00 0.00 H new ATOM 0 HG21 ILE A 88 19.616 14.389 -20.481 1.00 0.00 H new ATOM 0 HG22 ILE A 88 18.892 13.561 -21.881 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.232 14.707 -22.120 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.647 17.761 -19.197 1.00 0.00 H new ATOM 0 HD12 ILE A 88 18.365 16.544 -18.991 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.013 16.035 -19.429 1.00 0.00 H new ATOM 1333 N HIS A 89 17.193 13.572 -23.925 1.00 0.00 N ATOM 1334 CA HIS A 89 16.280 12.572 -24.460 1.00 0.00 C ATOM 1335 C HIS A 89 16.473 11.247 -23.719 1.00 0.00 C ATOM 1336 O HIS A 89 17.595 10.923 -23.326 1.00 0.00 O ATOM 1337 CB HIS A 89 16.544 12.425 -25.963 1.00 0.00 C ATOM 1338 CG HIS A 89 15.465 11.667 -26.690 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.301 12.201 -27.189 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.471 10.335 -27.008 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.628 11.222 -27.812 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.299 10.059 -27.725 1.00 0.00 N ATOM 0 H HIS A 89 18.148 13.231 -23.814 1.00 0.00 H new ATOM 0 HA HIS A 89 15.244 12.880 -24.316 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.642 13.416 -26.405 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.496 11.915 -26.109 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.242 9.624 -26.752 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.680 11.350 -28.313 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.012 9.157 -28.105 1.00 0.00 H new ATOM 1350 N VAL A 90 15.397 10.477 -23.556 1.00 0.00 N ATOM 1351 CA VAL A 90 15.338 9.246 -22.768 1.00 0.00 C ATOM 1352 C VAL A 90 14.843 8.139 -23.707 1.00 0.00 C ATOM 1353 O VAL A 90 13.835 8.325 -24.387 1.00 0.00 O ATOM 1354 CB VAL A 90 14.375 9.456 -21.570 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.357 8.247 -20.623 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.682 10.722 -20.748 1.00 0.00 C ATOM 0 H VAL A 90 14.502 10.705 -23.989 1.00 0.00 H new ATOM 0 HA VAL A 90 16.311 8.971 -22.360 1.00 0.00 H new ATOM 0 HB VAL A 90 13.394 9.578 -22.029 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.669 8.440 -19.800 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.030 7.362 -21.169 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.359 8.080 -20.227 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.969 10.805 -19.927 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.693 10.658 -20.346 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.601 11.600 -21.389 1.00 0.00 H new ATOM 1366 N TYR A 91 15.529 6.997 -23.780 1.00 0.00 N ATOM 1367 CA TYR A 91 15.151 5.903 -24.676 1.00 0.00 C ATOM 1368 C TYR A 91 15.761 4.573 -24.210 1.00 0.00 C ATOM 1369 O TYR A 91 16.319 4.483 -23.114 1.00 0.00 O ATOM 1370 CB TYR A 91 15.504 6.267 -26.138 1.00 0.00 C ATOM 1371 CG TYR A 91 16.934 6.636 -26.514 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.040 6.384 -25.676 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.147 7.251 -27.762 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.334 6.760 -26.074 1.00 0.00 C ATOM 1375 CE2 TYR A 91 18.440 7.603 -28.182 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.544 7.361 -27.333 1.00 0.00 C ATOM 1377 OH TYR A 91 20.807 7.714 -27.709 1.00 0.00 O ATOM 0 H TYR A 91 16.360 6.805 -23.221 1.00 0.00 H new ATOM 0 HA TYR A 91 14.071 5.761 -24.640 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.215 5.420 -26.760 1.00 0.00 H new ATOM 0 HB3 TYR A 91 14.868 7.105 -26.425 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.891 5.899 -24.723 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.304 7.455 -28.406 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.171 6.588 -25.414 1.00 0.00 H new ATOM 0 HE2 TYR A 91 18.590 8.057 -29.150 1.00 0.00 H new ATOM 0 HH TYR A 91 20.782 8.115 -28.603 1.00 0.00 H new ATOM 1387 N GLY A 92 15.685 3.540 -25.048 1.00 0.00 N ATOM 1388 CA GLY A 92 16.276 2.242 -24.780 1.00 0.00 C ATOM 1389 C GLY A 92 15.501 1.453 -23.733 1.00 0.00 C ATOM 1390 O GLY A 92 14.313 1.686 -23.501 1.00 0.00 O ATOM 0 H GLY A 92 15.202 3.589 -25.945 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.318 1.668 -25.705 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.303 2.377 -24.442 1.00 0.00 H new ATOM 1394 N TYR A 93 16.185 0.483 -23.134 1.00 0.00 N ATOM 1395 CA TYR A 93 15.665 -0.393 -22.098 1.00 0.00 C ATOM 1396 C TYR A 93 16.819 -0.769 -21.176 1.00 0.00 C ATOM 1397 O TYR A 93 17.978 -0.749 -21.601 1.00 0.00 O ATOM 1398 CB TYR A 93 15.020 -1.642 -22.727 1.00 0.00 C ATOM 1399 CG TYR A 93 15.857 -2.394 -23.751 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.785 -3.370 -23.335 1.00 0.00 C ATOM 1401 CD2 TYR A 93 15.681 -2.141 -25.125 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.546 -4.078 -24.282 1.00 0.00 C ATOM 1403 CE2 TYR A 93 16.434 -2.849 -26.079 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.375 -3.818 -25.662 1.00 0.00 C ATOM 1405 OH TYR A 93 18.101 -4.497 -26.596 1.00 0.00 O ATOM 0 H TYR A 93 17.157 0.280 -23.369 1.00 0.00 H new ATOM 0 HA TYR A 93 14.890 0.113 -21.523 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.760 -2.333 -21.925 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.087 -1.341 -23.203 1.00 0.00 H new ATOM 0 HD1 TYR A 93 16.912 -3.575 -22.282 1.00 0.00 H new ATOM 0 HD2 TYR A 93 14.965 -1.400 -25.448 1.00 0.00 H new ATOM 0 HE1 TYR A 93 18.260 -4.820 -23.956 1.00 0.00 H new ATOM 0 HE2 TYR A 93 16.293 -2.652 -27.131 1.00 0.00 H new ATOM 0 HH TYR A 93 17.851 -4.189 -27.492 1.00 0.00 H new ATOM 1415 N SER A 94 16.520 -1.102 -19.918 1.00 0.00 N ATOM 1416 CA SER A 94 17.542 -1.552 -18.992 1.00 0.00 C ATOM 1417 C SER A 94 18.081 -2.894 -19.465 1.00 0.00 C ATOM 1418 O SER A 94 17.311 -3.808 -19.775 1.00 0.00 O ATOM 1419 CB SER A 94 17.009 -1.615 -17.558 1.00 0.00 C ATOM 1420 OG SER A 94 17.878 -2.364 -16.724 1.00 0.00 O ATOM 0 H SER A 94 15.579 -1.066 -19.526 1.00 0.00 H new ATOM 0 HA SER A 94 18.361 -0.833 -18.977 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.900 -0.605 -17.162 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.017 -2.067 -17.555 1.00 0.00 H new ATOM 0 HG SER A 94 17.710 -2.134 -15.786 1.00 0.00 H new ATOM 1426 N MET A 95 19.407 -3.024 -19.430 1.00 0.00 N ATOM 1427 CA MET A 95 20.124 -4.271 -19.668 1.00 0.00 C ATOM 1428 C MET A 95 19.732 -5.374 -18.667 1.00 0.00 C ATOM 1429 O MET A 95 20.021 -6.544 -18.929 1.00 0.00 O ATOM 1430 CB MET A 95 21.639 -4.011 -19.591 1.00 0.00 C ATOM 1431 CG MET A 95 22.132 -2.990 -20.629 1.00 0.00 C ATOM 1432 SD MET A 95 23.917 -2.650 -20.582 1.00 0.00 S ATOM 1433 CE MET A 95 24.061 -1.796 -18.986 1.00 0.00 C ATOM 0 H MET A 95 20.028 -2.240 -19.229 1.00 0.00 H new ATOM 0 HA MET A 95 19.850 -4.626 -20.662 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.889 -3.654 -18.592 1.00 0.00 H new ATOM 0 HB3 MET A 95 22.170 -4.952 -19.735 1.00 0.00 H new ATOM 0 HG2 MET A 95 21.872 -3.351 -21.624 1.00 0.00 H new ATOM 0 HG3 MET A 95 21.595 -2.054 -20.479 1.00 0.00 H new ATOM 0 HE1 MET A 95 24.540 -0.828 -19.133 1.00 0.00 H new ATOM 0 HE2 MET A 95 23.068 -1.649 -18.561 1.00 0.00 H new ATOM 0 HE3 MET A 95 24.662 -2.398 -18.304 1.00 0.00 H new ATOM 1443 N ALA A 96 19.091 -5.030 -17.538 1.00 0.00 N ATOM 1444 CA ALA A 96 18.765 -5.965 -16.463 1.00 0.00 C ATOM 1445 C ALA A 96 17.272 -5.985 -16.111 1.00 0.00 C ATOM 1446 O ALA A 96 16.799 -6.996 -15.590 1.00 0.00 O ATOM 1447 CB ALA A 96 19.591 -5.596 -15.223 1.00 0.00 C ATOM 0 H ALA A 96 18.782 -4.076 -17.349 1.00 0.00 H new ATOM 0 HA ALA A 96 19.010 -6.968 -16.812 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.358 -6.286 -14.412 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.653 -5.661 -15.461 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.350 -4.579 -14.915 1.00 0.00 H new ATOM 1453 N TYR A 97 16.524 -4.913 -16.410 1.00 0.00 N ATOM 1454 CA TYR A 97 15.151 -4.719 -15.932 1.00 0.00 C ATOM 1455 C TYR A 97 14.163 -4.355 -17.051 1.00 0.00 C ATOM 1456 O TYR A 97 12.982 -4.148 -16.767 1.00 0.00 O ATOM 1457 CB TYR A 97 15.136 -3.653 -14.817 1.00 0.00 C ATOM 1458 CG TYR A 97 16.150 -3.842 -13.696 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.272 -5.089 -13.052 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.959 -2.763 -13.281 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.221 -5.276 -12.032 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.902 -2.939 -12.254 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.045 -4.201 -11.629 1.00 0.00 C ATOM 1464 OH TYR A 97 18.958 -4.371 -10.634 1.00 0.00 O ATOM 0 H TYR A 97 16.861 -4.149 -16.997 1.00 0.00 H new ATOM 0 HA TYR A 97 14.811 -5.675 -15.534 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.306 -2.677 -15.273 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.139 -3.630 -14.377 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.631 -5.908 -13.344 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.853 -1.798 -13.754 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.320 -6.241 -11.557 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.519 -2.110 -11.941 1.00 0.00 H new ATOM 0 HH TYR A 97 19.755 -4.813 -10.994 1.00 0.00 H new ATOM 1474 N GLY A 98 14.604 -4.291 -18.313 1.00 0.00 N ATOM 1475 CA GLY A 98 13.728 -3.977 -19.438 1.00 0.00 C ATOM 1476 C GLY A 98 13.327 -2.496 -19.477 1.00 0.00 C ATOM 1477 O GLY A 98 13.863 -1.684 -18.712 1.00 0.00 O ATOM 0 H GLY A 98 15.575 -4.455 -18.578 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.231 -4.238 -20.369 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.830 -4.592 -19.377 1.00 0.00 H new ATOM 1481 N PRO A 99 12.449 -2.104 -20.416 1.00 0.00 N ATOM 1482 CA PRO A 99 12.091 -0.708 -20.626 1.00 0.00 C ATOM 1483 C PRO A 99 11.266 -0.173 -19.456 1.00 0.00 C ATOM 1484 O PRO A 99 10.268 -0.773 -19.049 1.00 0.00 O ATOM 1485 CB PRO A 99 11.304 -0.669 -21.941 1.00 0.00 C ATOM 1486 CG PRO A 99 10.729 -2.080 -22.067 1.00 0.00 C ATOM 1487 CD PRO A 99 11.776 -2.960 -21.384 1.00 0.00 C ATOM 0 HA PRO A 99 12.973 -0.071 -20.683 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.515 0.083 -21.912 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.948 -0.423 -22.785 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.758 -2.162 -21.579 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.587 -2.363 -23.110 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.308 -3.813 -20.892 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.484 -3.360 -22.110 1.00 0.00 H new ATOM 1495 N ALA A 100 11.688 0.973 -18.926 1.00 0.00 N ATOM 1496 CA ALA A 100 10.907 1.737 -17.967 1.00 0.00 C ATOM 1497 C ALA A 100 9.726 2.419 -18.666 1.00 0.00 C ATOM 1498 O ALA A 100 9.675 2.526 -19.895 1.00 0.00 O ATOM 1499 CB ALA A 100 11.804 2.820 -17.376 1.00 0.00 C ATOM 0 H ALA A 100 12.587 1.397 -19.154 1.00 0.00 H new ATOM 0 HA ALA A 100 10.530 1.068 -17.193 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.238 3.407 -16.653 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.656 2.356 -16.879 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.160 3.473 -18.173 1.00 0.00 H new ATOM 1505 N GLN A 101 8.795 2.938 -17.863 1.00 0.00 N ATOM 1506 CA GLN A 101 7.737 3.821 -18.329 1.00 0.00 C ATOM 1507 C GLN A 101 8.379 5.203 -18.483 1.00 0.00 C ATOM 1508 O GLN A 101 8.216 6.061 -17.620 1.00 0.00 O ATOM 1509 CB GLN A 101 6.559 3.841 -17.338 1.00 0.00 C ATOM 1510 CG GLN A 101 5.750 2.540 -17.349 1.00 0.00 C ATOM 1511 CD GLN A 101 4.647 2.562 -16.289 1.00 0.00 C ATOM 1512 OE1 GLN A 101 4.784 1.987 -15.211 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.534 3.228 -16.555 1.00 0.00 N ATOM 0 H GLN A 101 8.759 2.752 -16.861 1.00 0.00 H new ATOM 0 HA GLN A 101 7.318 3.483 -19.277 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.940 4.018 -16.332 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.900 4.675 -17.581 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.308 2.393 -18.334 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.414 1.695 -17.168 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.426 3.703 -17.451 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.785 3.266 -15.864 1.00 0.00 H new ATOM 1522 N HIS A 102 9.153 5.423 -19.549 1.00 0.00 N ATOM 1523 CA HIS A 102 9.882 6.674 -19.787 1.00 0.00 C ATOM 1524 C HIS A 102 8.968 7.910 -19.819 1.00 0.00 C ATOM 1525 O HIS A 102 9.441 9.029 -19.604 1.00 0.00 O ATOM 1526 CB HIS A 102 10.678 6.558 -21.089 1.00 0.00 C ATOM 1527 CG HIS A 102 11.636 5.395 -21.091 1.00 0.00 C ATOM 1528 ND1 HIS A 102 12.698 5.243 -20.245 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 11.546 4.241 -21.838 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 13.280 3.996 -20.488 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 12.532 3.420 -21.440 1.00 0.00 N flip ATOM 0 H HIS A 102 9.294 4.728 -20.282 1.00 0.00 H new ATOM 0 HA HIS A 102 10.559 6.822 -18.946 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.985 6.453 -21.924 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.235 7.481 -21.252 1.00 0.00 H new ATOM 0 HD2 HIS A 102 10.815 4.034 -22.605 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.154 3.581 -20.007 1.00 0.00 H new ATOM 0 HE2 HIS A 102 12.690 2.484 -21.812 1.00 0.00 H new ATOM 1539 N ALA A 103 7.663 7.716 -20.042 1.00 0.00 N ATOM 1540 CA ALA A 103 6.651 8.751 -19.885 1.00 0.00 C ATOM 1541 C ALA A 103 6.683 9.342 -18.465 1.00 0.00 C ATOM 1542 O ALA A 103 6.565 10.553 -18.307 1.00 0.00 O ATOM 1543 CB ALA A 103 5.273 8.153 -20.186 1.00 0.00 C ATOM 0 H ALA A 103 7.281 6.819 -20.341 1.00 0.00 H new ATOM 0 HA ALA A 103 6.858 9.561 -20.584 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.509 8.922 -20.071 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.256 7.775 -21.208 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.072 7.335 -19.494 1.00 0.00 H new ATOM 1549 N ILE A 104 6.879 8.510 -17.434 1.00 0.00 N ATOM 1550 CA ILE A 104 7.015 8.956 -16.049 1.00 0.00 C ATOM 1551 C ILE A 104 8.263 9.817 -15.938 1.00 0.00 C ATOM 1552 O ILE A 104 8.203 10.904 -15.375 1.00 0.00 O ATOM 1553 CB ILE A 104 7.110 7.759 -15.070 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.898 6.811 -15.167 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.297 8.240 -13.617 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.621 7.405 -14.579 1.00 0.00 C ATOM 0 H ILE A 104 6.948 7.498 -17.543 1.00 0.00 H new ATOM 0 HA ILE A 104 6.129 9.530 -15.777 1.00 0.00 H new ATOM 0 HB ILE A 104 7.990 7.190 -15.370 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.725 6.559 -16.213 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.130 5.881 -14.649 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.360 7.378 -12.954 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.215 8.824 -13.542 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.448 8.859 -13.327 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.806 6.688 -14.679 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.777 7.632 -13.524 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.366 8.320 -15.113 1.00 0.00 H new ATOM 1568 N SER A 105 9.394 9.343 -16.458 1.00 0.00 N ATOM 1569 CA SER A 105 10.667 10.013 -16.285 1.00 0.00 C ATOM 1570 C SER A 105 10.643 11.394 -16.923 1.00 0.00 C ATOM 1571 O SER A 105 11.012 12.375 -16.278 1.00 0.00 O ATOM 1572 CB SER A 105 11.742 9.114 -16.882 1.00 0.00 C ATOM 1573 OG SER A 105 11.614 7.850 -16.250 1.00 0.00 O ATOM 0 H SER A 105 9.446 8.486 -17.008 1.00 0.00 H new ATOM 0 HA SER A 105 10.881 10.177 -15.229 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.614 9.022 -17.961 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.734 9.532 -16.713 1.00 0.00 H new ATOM 0 HG SER A 105 12.372 7.281 -16.499 1.00 0.00 H new ATOM 1579 N THR A 106 10.145 11.482 -18.151 1.00 0.00 N ATOM 1580 CA THR A 106 9.952 12.756 -18.821 1.00 0.00 C ATOM 1581 C THR A 106 8.954 13.637 -18.061 1.00 0.00 C ATOM 1582 O THR A 106 9.244 14.818 -17.878 1.00 0.00 O ATOM 1583 CB THR A 106 9.578 12.548 -20.299 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.589 11.556 -20.484 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.804 12.133 -21.109 1.00 0.00 C ATOM 0 H THR A 106 9.865 10.673 -18.706 1.00 0.00 H new ATOM 0 HA THR A 106 10.897 13.299 -18.817 1.00 0.00 H new ATOM 0 HB THR A 106 9.183 13.505 -20.640 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.973 10.673 -20.302 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.520 11.990 -22.152 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.564 12.911 -21.043 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.204 11.200 -20.711 1.00 0.00 H new ATOM 1593 N GLU A 107 7.838 13.098 -17.551 1.00 0.00 N ATOM 1594 CA GLU A 107 6.883 13.874 -16.763 1.00 0.00 C ATOM 1595 C GLU A 107 7.549 14.457 -15.509 1.00 0.00 C ATOM 1596 O GLU A 107 7.451 15.660 -15.265 1.00 0.00 O ATOM 1597 CB GLU A 107 5.638 13.035 -16.393 1.00 0.00 C ATOM 1598 CG GLU A 107 4.590 13.069 -17.517 1.00 0.00 C ATOM 1599 CD GLU A 107 3.339 12.241 -17.167 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.581 12.632 -16.250 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.068 11.215 -17.832 1.00 0.00 O ATOM 0 H GLU A 107 7.577 12.120 -17.674 1.00 0.00 H new ATOM 0 HA GLU A 107 6.545 14.705 -17.382 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.935 12.004 -16.200 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.199 13.418 -15.472 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.299 14.102 -17.710 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.032 12.686 -18.437 1.00 0.00 H new ATOM 1608 N LYS A 108 8.259 13.634 -14.731 1.00 0.00 N ATOM 1609 CA LYS A 108 8.894 14.072 -13.491 1.00 0.00 C ATOM 1610 C LYS A 108 10.010 15.072 -13.774 1.00 0.00 C ATOM 1611 O LYS A 108 10.075 16.099 -13.099 1.00 0.00 O ATOM 1612 CB LYS A 108 9.442 12.869 -12.703 1.00 0.00 C ATOM 1613 CG LYS A 108 8.396 11.903 -12.119 1.00 0.00 C ATOM 1614 CD LYS A 108 7.319 12.618 -11.286 1.00 0.00 C ATOM 1615 CE LYS A 108 6.587 11.685 -10.312 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.461 11.224 -9.207 1.00 0.00 N ATOM 0 H LYS A 108 8.408 12.648 -14.945 1.00 0.00 H new ATOM 0 HA LYS A 108 8.136 14.567 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.102 12.302 -13.359 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.054 13.247 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.917 11.359 -12.933 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.899 11.164 -11.495 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.783 13.428 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.592 13.073 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.723 12.204 -9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.208 10.820 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.529 10.186 -9.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.410 11.635 -9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.059 11.527 -8.297 1.00 0.00 H new ATOM 1630 N ILE A 109 10.871 14.811 -14.762 1.00 0.00 N ATOM 1631 CA ILE A 109 11.943 15.734 -15.119 1.00 0.00 C ATOM 1632 C ILE A 109 11.320 17.055 -15.579 1.00 0.00 C ATOM 1633 O ILE A 109 11.734 18.100 -15.085 1.00 0.00 O ATOM 1634 CB ILE A 109 12.900 15.097 -16.159 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.755 13.983 -15.508 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.859 16.142 -16.761 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.398 13.030 -16.528 1.00 0.00 C ATOM 0 H ILE A 109 10.843 13.963 -15.329 1.00 0.00 H new ATOM 0 HA ILE A 109 12.568 15.950 -14.253 1.00 0.00 H new ATOM 0 HB ILE A 109 12.273 14.681 -16.948 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.540 14.442 -14.907 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.129 13.406 -14.828 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.515 15.659 -17.486 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.282 16.922 -17.257 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.460 16.585 -15.967 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.982 12.275 -16.002 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.618 12.543 -17.113 1.00 0.00 H new ATOM 0 HD13 ILE A 109 15.051 13.595 -17.193 1.00 0.00 H new ATOM 1649 N LYS A 110 10.313 17.056 -16.461 1.00 0.00 N ATOM 1650 CA LYS A 110 9.701 18.310 -16.904 1.00 0.00 C ATOM 1651 C LYS A 110 9.070 19.060 -15.729 1.00 0.00 C ATOM 1652 O LYS A 110 9.194 20.284 -15.670 1.00 0.00 O ATOM 1653 CB LYS A 110 8.664 18.075 -18.016 1.00 0.00 C ATOM 1654 CG LYS A 110 9.330 17.815 -19.381 1.00 0.00 C ATOM 1655 CD LYS A 110 8.332 17.714 -20.546 1.00 0.00 C ATOM 1656 CE LYS A 110 7.501 19.001 -20.699 1.00 0.00 C ATOM 1657 NZ LYS A 110 6.833 19.114 -22.017 1.00 0.00 N ATOM 0 H LYS A 110 9.911 16.215 -16.875 1.00 0.00 H new ATOM 0 HA LYS A 110 10.497 18.928 -17.318 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.035 17.225 -17.752 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.010 18.944 -18.091 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.038 18.618 -19.589 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.904 16.890 -19.325 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.873 17.518 -21.472 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.665 16.868 -20.381 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.746 19.034 -19.913 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.151 19.864 -20.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.864 19.469 -21.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.365 19.774 -22.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.801 18.179 -22.471 1.00 0.00 H new ATOM 1671 N ALA A 111 8.428 18.356 -14.789 1.00 0.00 N ATOM 1672 CA ALA A 111 7.821 18.974 -13.617 1.00 0.00 C ATOM 1673 C ALA A 111 8.881 19.630 -12.723 1.00 0.00 C ATOM 1674 O ALA A 111 8.704 20.777 -12.309 1.00 0.00 O ATOM 1675 CB ALA A 111 7.017 17.931 -12.830 1.00 0.00 C ATOM 0 H ALA A 111 8.318 17.343 -14.825 1.00 0.00 H new ATOM 0 HA ALA A 111 7.144 19.759 -13.955 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.567 18.402 -11.956 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.232 17.521 -13.466 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.680 17.128 -12.508 1.00 0.00 H new ATOM 1681 N LYS A 112 9.980 18.924 -12.424 1.00 0.00 N ATOM 1682 CA LYS A 112 11.044 19.450 -11.562 1.00 0.00 C ATOM 1683 C LYS A 112 11.921 20.476 -12.281 1.00 0.00 C ATOM 1684 O LYS A 112 12.540 21.302 -11.611 1.00 0.00 O ATOM 1685 CB LYS A 112 11.886 18.298 -10.984 1.00 0.00 C ATOM 1686 CG LYS A 112 11.117 17.453 -9.951 1.00 0.00 C ATOM 1687 CD LYS A 112 10.718 18.238 -8.689 1.00 0.00 C ATOM 1688 CE LYS A 112 10.103 17.305 -7.638 1.00 0.00 C ATOM 1689 NZ LYS A 112 9.626 18.045 -6.441 1.00 0.00 N ATOM 0 H LYS A 112 10.155 17.980 -12.770 1.00 0.00 H new ATOM 0 HA LYS A 112 10.566 19.977 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.218 17.654 -11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.781 18.708 -10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.218 17.052 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.732 16.601 -9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.594 18.735 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.004 19.018 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.270 16.760 -8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.843 16.565 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.218 17.375 -5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.425 18.545 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.900 18.734 -6.725 1.00 0.00 H new ATOM 1703 N TYR A 113 11.942 20.454 -13.617 1.00 0.00 N ATOM 1704 CA TYR A 113 12.736 21.310 -14.490 1.00 0.00 C ATOM 1705 C TYR A 113 14.193 21.433 -13.996 1.00 0.00 C ATOM 1706 O TYR A 113 14.638 22.529 -13.644 1.00 0.00 O ATOM 1707 CB TYR A 113 11.994 22.643 -14.698 1.00 0.00 C ATOM 1708 CG TYR A 113 12.448 23.446 -15.903 1.00 0.00 C ATOM 1709 CD1 TYR A 113 11.994 23.094 -17.189 1.00 0.00 C ATOM 1710 CD2 TYR A 113 13.278 24.572 -15.738 1.00 0.00 C ATOM 1711 CE1 TYR A 113 12.350 23.874 -18.305 1.00 0.00 C ATOM 1712 CE2 TYR A 113 13.643 25.353 -16.848 1.00 0.00 C ATOM 1713 CZ TYR A 113 13.170 25.014 -18.136 1.00 0.00 C ATOM 1714 OH TYR A 113 13.488 25.779 -19.217 1.00 0.00 O ATOM 0 H TYR A 113 11.369 19.796 -14.146 1.00 0.00 H new ATOM 0 HA TYR A 113 12.840 20.859 -15.477 1.00 0.00 H new ATOM 0 HB2 TYR A 113 10.928 22.437 -14.798 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.118 23.255 -13.804 1.00 0.00 H new ATOM 0 HD1 TYR A 113 11.370 22.222 -17.319 1.00 0.00 H new ATOM 0 HD2 TYR A 113 13.636 24.836 -14.754 1.00 0.00 H new ATOM 0 HE1 TYR A 113 11.998 23.602 -19.289 1.00 0.00 H new ATOM 0 HE2 TYR A 113 14.285 26.212 -16.717 1.00 0.00 H new ATOM 0 HH TYR A 113 14.014 25.248 -19.851 1.00 0.00 H new ATOM 1724 N PRO A 114 14.947 20.315 -13.913 1.00 0.00 N ATOM 1725 CA PRO A 114 16.292 20.305 -13.346 1.00 0.00 C ATOM 1726 C PRO A 114 17.298 21.089 -14.203 1.00 0.00 C ATOM 1727 O PRO A 114 18.319 21.534 -13.673 1.00 0.00 O ATOM 1728 CB PRO A 114 16.672 18.824 -13.212 1.00 0.00 C ATOM 1729 CG PRO A 114 15.869 18.153 -14.315 1.00 0.00 C ATOM 1730 CD PRO A 114 14.583 18.975 -14.352 1.00 0.00 C ATOM 0 HA PRO A 114 16.314 20.809 -12.380 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.743 18.670 -13.344 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.413 18.430 -12.229 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.393 18.181 -15.270 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.672 17.105 -14.090 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.162 18.995 -15.357 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.825 18.543 -13.698 1.00 0.00 H new ATOM 1738 N ASP A 115 17.016 21.292 -15.498 1.00 0.00 N ATOM 1739 CA ASP A 115 17.791 22.187 -16.361 1.00 0.00 C ATOM 1740 C ASP A 115 16.958 22.710 -17.535 1.00 0.00 C ATOM 1741 O ASP A 115 16.959 23.915 -17.787 1.00 0.00 O ATOM 1742 CB ASP A 115 19.035 21.475 -16.909 1.00 0.00 C ATOM 1743 CG ASP A 115 19.859 22.432 -17.788 1.00 0.00 C ATOM 1744 OD1 ASP A 115 20.498 23.359 -17.242 1.00 0.00 O ATOM 1745 OD2 ASP A 115 19.896 22.244 -19.022 1.00 0.00 O ATOM 0 H ASP A 115 16.239 20.836 -15.976 1.00 0.00 H new ATOM 0 HA ASP A 115 18.094 23.033 -15.744 1.00 0.00 H new ATOM 0 HB2 ASP A 115 19.647 21.112 -16.083 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.736 20.603 -17.491 1.00 0.00 H new ATOM 1750 N TYR A 116 16.226 21.829 -18.230 1.00 0.00 N ATOM 1751 CA TYR A 116 15.390 22.179 -19.378 1.00 0.00 C ATOM 1752 C TYR A 116 14.330 21.091 -19.600 1.00 0.00 C ATOM 1753 O TYR A 116 14.277 20.104 -18.859 1.00 0.00 O ATOM 1754 CB TYR A 116 16.273 22.349 -20.633 1.00 0.00 C ATOM 1755 CG TYR A 116 15.597 23.104 -21.765 1.00 0.00 C ATOM 1756 CD1 TYR A 116 15.358 24.484 -21.635 1.00 0.00 C ATOM 1757 CD2 TYR A 116 15.201 22.438 -22.941 1.00 0.00 C ATOM 1758 CE1 TYR A 116 14.733 25.201 -22.671 1.00 0.00 C ATOM 1759 CE2 TYR A 116 14.580 23.147 -23.984 1.00 0.00 C ATOM 1760 CZ TYR A 116 14.343 24.534 -23.856 1.00 0.00 C ATOM 1761 OH TYR A 116 13.740 25.211 -24.872 1.00 0.00 O ATOM 0 H TYR A 116 16.200 20.835 -18.003 1.00 0.00 H new ATOM 0 HA TYR A 116 14.880 23.122 -19.184 1.00 0.00 H new ATOM 0 HB2 TYR A 116 17.186 22.874 -20.354 1.00 0.00 H new ATOM 0 HB3 TYR A 116 16.569 21.364 -20.993 1.00 0.00 H new ATOM 0 HD1 TYR A 116 15.657 24.997 -20.733 1.00 0.00 H new ATOM 0 HD2 TYR A 116 15.375 21.377 -23.042 1.00 0.00 H new ATOM 0 HE1 TYR A 116 14.551 26.260 -22.562 1.00 0.00 H new ATOM 0 HE2 TYR A 116 14.283 22.630 -24.885 1.00 0.00 H new ATOM 0 HH TYR A 116 13.544 24.592 -25.606 1.00 0.00 H new ATOM 1771 N GLU A 117 13.486 21.274 -20.620 1.00 0.00 N ATOM 1772 CA GLU A 117 12.566 20.260 -21.120 1.00 0.00 C ATOM 1773 C GLU A 117 13.364 19.037 -21.607 1.00 0.00 C ATOM 1774 O GLU A 117 14.513 19.156 -22.044 1.00 0.00 O ATOM 1775 CB GLU A 117 11.707 20.883 -22.243 1.00 0.00 C ATOM 1776 CG GLU A 117 10.803 19.863 -22.954 1.00 0.00 C ATOM 1777 CD GLU A 117 9.822 20.499 -23.947 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.261 20.939 -25.034 1.00 0.00 O ATOM 1779 OE2 GLU A 117 8.602 20.490 -23.667 1.00 0.00 O ATOM 0 H GLU A 117 13.426 22.155 -21.130 1.00 0.00 H new ATOM 0 HA GLU A 117 11.897 19.917 -20.331 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.088 21.674 -21.821 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.364 21.350 -22.977 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.428 19.144 -23.484 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.239 19.306 -22.206 1.00 0.00 H new ATOM 1786 N VAL A 118 12.722 17.868 -21.598 1.00 0.00 N ATOM 1787 CA VAL A 118 13.266 16.611 -22.092 1.00 0.00 C ATOM 1788 C VAL A 118 12.202 15.888 -22.926 1.00 0.00 C ATOM 1789 O VAL A 118 11.030 16.274 -22.900 1.00 0.00 O ATOM 1790 CB VAL A 118 13.777 15.752 -20.916 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.962 16.430 -20.215 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.676 15.452 -19.885 1.00 0.00 C ATOM 0 H VAL A 118 11.775 17.772 -21.232 1.00 0.00 H new ATOM 0 HA VAL A 118 14.122 16.803 -22.739 1.00 0.00 H new ATOM 0 HB VAL A 118 14.101 14.805 -21.347 1.00 0.00 H new ATOM 0 HG11 VAL A 118 15.303 15.804 -19.390 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.776 16.567 -20.927 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.650 17.400 -19.829 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.088 14.845 -19.079 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.295 16.388 -19.476 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.863 14.910 -20.368 1.00 0.00 H new ATOM 1802 N THR A 119 12.596 14.840 -23.649 1.00 0.00 N ATOM 1803 CA THR A 119 11.721 14.065 -24.529 1.00 0.00 C ATOM 1804 C THR A 119 12.044 12.571 -24.393 1.00 0.00 C ATOM 1805 O THR A 119 13.035 12.203 -23.756 1.00 0.00 O ATOM 1806 CB THR A 119 11.880 14.563 -25.981 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.246 14.730 -26.326 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.153 15.885 -26.231 1.00 0.00 C ATOM 0 H THR A 119 13.557 14.498 -23.639 1.00 0.00 H new ATOM 0 HA THR A 119 10.679 14.204 -24.242 1.00 0.00 H new ATOM 0 HB THR A 119 11.430 13.791 -26.606 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.612 13.875 -26.636 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.298 16.189 -27.268 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.088 15.757 -26.036 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.554 16.652 -25.568 1.00 0.00 H new ATOM 1816 N TRP A 120 11.227 11.699 -24.990 1.00 0.00 N ATOM 1817 CA TRP A 120 11.527 10.276 -25.083 1.00 0.00 C ATOM 1818 C TRP A 120 10.999 9.703 -26.387 1.00 0.00 C ATOM 1819 O TRP A 120 10.124 10.296 -27.027 1.00 0.00 O ATOM 1820 CB TRP A 120 10.925 9.482 -23.907 1.00 0.00 C ATOM 1821 CG TRP A 120 9.435 9.297 -23.899 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.513 10.270 -23.751 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.671 8.061 -24.063 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.245 9.729 -23.760 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.280 8.363 -23.937 1.00 0.00 C ATOM 1826 CE3 TRP A 120 9.013 6.713 -24.303 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.288 7.374 -24.010 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 8.027 5.709 -24.358 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.667 6.037 -24.211 1.00 0.00 C ATOM 0 H TRP A 120 10.341 11.964 -25.421 1.00 0.00 H new ATOM 0 HA TRP A 120 12.612 10.179 -25.047 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.389 8.496 -23.892 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.209 9.982 -22.981 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.736 11.321 -23.641 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.389 10.272 -23.650 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.050 6.447 -24.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.245 7.638 -23.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.317 4.680 -24.514 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.916 5.262 -24.253 1.00 0.00 H new ATOM 1840 N ALA A 121 11.527 8.540 -26.761 1.00 0.00 N ATOM 1841 CA ALA A 121 11.013 7.716 -27.835 1.00 0.00 C ATOM 1842 C ALA A 121 11.331 6.269 -27.472 1.00 0.00 C ATOM 1843 O ALA A 121 12.450 5.968 -27.049 1.00 0.00 O ATOM 1844 CB ALA A 121 11.657 8.099 -29.175 1.00 0.00 C ATOM 0 H ALA A 121 12.348 8.139 -26.307 1.00 0.00 H new ATOM 0 HA ALA A 121 9.939 7.858 -27.952 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.255 7.466 -29.966 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.438 9.143 -29.399 1.00 0.00 H new ATOM 0 HB3 ALA A 121 12.736 7.960 -29.113 1.00 0.00 H new ATOM 1850 N ASN A 122 10.369 5.365 -27.649 1.00 0.00 N ATOM 1851 CA ASN A 122 10.574 3.942 -27.373 1.00 0.00 C ATOM 1852 C ASN A 122 11.461 3.276 -28.432 1.00 0.00 C ATOM 1853 O ASN A 122 12.091 2.253 -28.162 1.00 0.00 O ATOM 1854 CB ASN A 122 9.213 3.240 -27.309 1.00 0.00 C ATOM 1855 CG ASN A 122 9.364 1.763 -26.952 1.00 0.00 C ATOM 1856 OD1 ASN A 122 9.824 1.420 -25.867 1.00 0.00 O ATOM 1857 ND2 ASN A 122 8.972 0.860 -27.837 1.00 0.00 N ATOM 0 H ASN A 122 9.433 5.594 -27.985 1.00 0.00 H new ATOM 0 HA ASN A 122 11.088 3.851 -26.416 1.00 0.00 H new ATOM 0 HB2 ASN A 122 8.583 3.732 -26.568 1.00 0.00 H new ATOM 0 HB3 ASN A 122 8.708 3.334 -28.270 1.00 0.00 H new ATOM 0 HD21 ASN A 122 9.051 -0.134 -27.621 1.00 0.00 H new ATOM 0 HD22 ASN A 122 8.591 1.158 -28.735 1.00 0.00 H new ATOM 1864 N ASP A 123 11.495 3.837 -29.646 1.00 0.00 N ATOM 1865 CA ASP A 123 12.195 3.259 -30.797 1.00 0.00 C ATOM 1866 C ASP A 123 13.721 3.309 -30.657 1.00 0.00 C ATOM 1867 O ASP A 123 14.416 2.416 -31.146 1.00 0.00 O ATOM 1868 CB ASP A 123 11.784 4.013 -32.067 1.00 0.00 C ATOM 1869 CG ASP A 123 12.507 3.464 -33.309 1.00 0.00 C ATOM 1870 OD1 ASP A 123 12.161 2.354 -33.774 1.00 0.00 O ATOM 1871 OD2 ASP A 123 13.396 4.156 -33.852 1.00 0.00 O ATOM 0 H ASP A 123 11.029 4.719 -29.859 1.00 0.00 H new ATOM 0 HA ASP A 123 11.910 2.208 -30.852 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.706 3.931 -32.207 1.00 0.00 H new ATOM 0 HB3 ASP A 123 12.011 5.073 -31.952 1.00 0.00 H new ATOM 1876 N GLY A 124 14.243 4.345 -29.995 1.00 0.00 N ATOM 1877 CA GLY A 124 15.679 4.552 -29.832 1.00 0.00 C ATOM 1878 C GLY A 124 16.266 3.652 -28.743 1.00 0.00 C ATOM 1879 O GLY A 124 15.531 3.057 -27.948 1.00 0.00 O ATOM 0 H GLY A 124 13.674 5.068 -29.555 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.184 4.354 -30.778 1.00 0.00 H new ATOM 0 HA3 GLY A 124 15.869 5.596 -29.582 1.00 0.00 H new ATOM 1883 N TYR A 125 17.597 3.579 -28.685 1.00 0.00 N ATOM 1884 CA TYR A 125 18.357 2.858 -27.674 1.00 0.00 C ATOM 1885 C TYR A 125 19.671 3.595 -27.470 1.00 0.00 C ATOM 1886 O TYR A 125 20.274 4.039 -28.472 1.00 0.00 O ATOM 1887 CB TYR A 125 18.597 1.399 -28.096 1.00 0.00 C ATOM 1888 CG TYR A 125 19.349 0.580 -27.060 1.00 0.00 C ATOM 1889 CD1 TYR A 125 20.758 0.552 -27.065 1.00 0.00 C ATOM 1890 CD2 TYR A 125 18.644 -0.141 -26.078 1.00 0.00 C ATOM 1891 CE1 TYR A 125 21.459 -0.180 -26.090 1.00 0.00 C ATOM 1892 CE2 TYR A 125 19.336 -0.869 -25.094 1.00 0.00 C ATOM 1893 CZ TYR A 125 20.748 -0.893 -25.095 1.00 0.00 C ATOM 1894 OH TYR A 125 21.410 -1.608 -24.142 1.00 0.00 O ATOM 1895 OXT TYR A 125 20.111 3.727 -26.314 1.00 0.00 O ATOM 0 H TYR A 125 18.195 4.041 -29.371 1.00 0.00 H new ATOM 0 HA TYR A 125 17.799 2.823 -26.739 1.00 0.00 H new ATOM 0 HB2 TYR A 125 17.636 0.924 -28.294 1.00 0.00 H new ATOM 0 HB3 TYR A 125 19.157 1.388 -29.031 1.00 0.00 H new ATOM 0 HD1 TYR A 125 21.303 1.096 -27.822 1.00 0.00 H new ATOM 0 HD2 TYR A 125 17.564 -0.135 -26.080 1.00 0.00 H new ATOM 0 HE1 TYR A 125 22.539 -0.198 -26.100 1.00 0.00 H new ATOM 0 HE2 TYR A 125 18.787 -1.410 -24.337 1.00 0.00 H new ATOM 0 HH TYR A 125 20.762 -2.032 -23.542 1.00 0.00 H new TER 1905 TYR A 125