USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=39 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 89 HIS : no HD1:sc= 1.02 K(o=2.1,f=-5!) USER MOD Set 1.2: A 119 THR OG1 : rot 68:sc= 1.06 USER MOD Set 2.1: A 22 TYR OH : rot -125:sc= 0.779 USER MOD Set 2.2: A 102 HIS : no HE2:sc= -0.147 X(o=1.4,f=1.6) USER MOD Set 2.3: A 105 SER OG : rot -85:sc= 0.775 USER MOD Set 3.1: A 53 HIS : no HE2:sc= -2.26! C(o=-1.6!,f=-4.7!) USER MOD Set 3.2: A 94 SER OG : rot 170:sc= 0.616 USER MOD Set 4.1: A 64 MET CE :methyl -173:sc= -0.41 (180deg=-0.5) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.08 K(o=0.67,f=-0.74) USER MOD Set 5.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 61 SER OG : rot 180:sc= 0.488 USER MOD Set 5.3: A 65 GLN : amide:sc= 0.538 X(o=1,f=1.3) USER MOD Set 6.1: A 28 HIS : no HD1:sc= 1.15 K(o=2.5,f=-5.6!) USER MOD Set 6.2: A 40 SER OG : rot -118:sc= 1.36 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= 1.22 (180deg=0.996) USER MOD Single : A 29 SER OG : rot 52:sc= 1.16 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 2.1 (180deg=0.835) USER MOD Single : A 47 TYR OH : rot -14:sc= 1.28 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.17) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.0131 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 1.3 (180deg=1.11) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.344 USER MOD Single : A 71 CYS SG : rot 100:sc= -1.31 USER MOD Single : A 73 CYS SG : rot 156:sc= 1.79 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.813 K(o=0.81,f=-2.9!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00375 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= 0.894 (180deg=0.732) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc= 1.83 (180deg=1.56) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 174:sc= 0 (180deg=-0.0522) USER MOD Single : A 97 TYR OH : rot 130:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 34:sc= 0.674 USER MOD Single : A 108 LYS NZ :NH3+ -136:sc= 0.918 (180deg=-0.582!) USER MOD Single : A 110 LYS NZ :NH3+ 152:sc= 1.31 (180deg=0.805) USER MOD Single : A 112 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.05) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.9) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.699 8.103 18.416 1.00 0.00 N ATOM 2 CA MET A 1 11.989 8.719 18.022 1.00 0.00 C ATOM 3 C MET A 1 11.769 9.767 16.923 1.00 0.00 C ATOM 4 O MET A 1 11.750 10.964 17.224 1.00 0.00 O ATOM 5 CB MET A 1 13.054 7.658 17.660 1.00 0.00 C ATOM 6 CG MET A 1 14.434 8.280 17.395 1.00 0.00 C ATOM 7 SD MET A 1 15.734 7.069 17.022 1.00 0.00 S ATOM 8 CE MET A 1 17.135 8.196 16.783 1.00 0.00 C ATOM 0 H1 MET A 1 10.865 7.396 19.160 1.00 0.00 H new ATOM 0 H2 MET A 1 10.058 8.839 18.774 1.00 0.00 H new ATOM 0 H3 MET A 1 10.268 7.641 17.590 1.00 0.00 H new ATOM 0 HA MET A 1 12.398 9.246 18.884 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.134 6.936 18.472 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.730 7.109 16.776 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.352 8.977 16.561 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.733 8.860 18.268 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.029 7.620 16.544 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.915 8.881 15.964 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.304 8.765 17.697 1.00 0.00 H new ATOM 20 N ALA A 2 11.608 9.352 15.658 1.00 0.00 N ATOM 21 CA ALA A 2 11.381 10.227 14.511 1.00 0.00 C ATOM 22 C ALA A 2 10.549 9.471 13.469 1.00 0.00 C ATOM 23 O ALA A 2 10.461 8.241 13.515 1.00 0.00 O ATOM 24 CB ALA A 2 12.730 10.649 13.911 1.00 0.00 C ATOM 0 H ALA A 2 11.634 8.365 15.403 1.00 0.00 H new ATOM 0 HA ALA A 2 10.843 11.122 14.823 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.559 11.302 13.055 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.312 11.181 14.663 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.278 9.764 13.588 1.00 0.00 H new ATOM 30 N VAL A 3 9.974 10.204 12.515 1.00 0.00 N ATOM 31 CA VAL A 3 9.165 9.678 11.418 1.00 0.00 C ATOM 32 C VAL A 3 9.583 10.442 10.150 1.00 0.00 C ATOM 33 O VAL A 3 10.125 11.549 10.235 1.00 0.00 O ATOM 34 CB VAL A 3 7.652 9.809 11.747 1.00 0.00 C ATOM 35 CG1 VAL A 3 6.761 9.144 10.683 1.00 0.00 C ATOM 36 CG2 VAL A 3 7.287 9.172 13.101 1.00 0.00 C ATOM 0 H VAL A 3 10.063 11.220 12.485 1.00 0.00 H new ATOM 0 HA VAL A 3 9.333 8.612 11.261 1.00 0.00 H new ATOM 0 HB VAL A 3 7.470 10.883 11.775 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.713 9.263 10.959 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.937 9.614 9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.001 8.083 10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.219 9.291 13.283 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.536 8.111 13.083 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.847 9.663 13.897 1.00 0.00 H new ATOM 46 N ALA A 4 9.339 9.853 8.979 1.00 0.00 N ATOM 47 CA ALA A 4 9.568 10.438 7.665 1.00 0.00 C ATOM 48 C ALA A 4 8.372 10.065 6.780 1.00 0.00 C ATOM 49 O ALA A 4 7.500 9.304 7.206 1.00 0.00 O ATOM 50 CB ALA A 4 10.906 9.925 7.105 1.00 0.00 C ATOM 0 H ALA A 4 8.958 8.909 8.922 1.00 0.00 H new ATOM 0 HA ALA A 4 9.643 11.525 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.080 10.361 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.715 10.211 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.872 8.839 7.019 1.00 0.00 H new ATOM 56 N ASP A 5 8.317 10.585 5.555 1.00 0.00 N ATOM 57 CA ASP A 5 7.200 10.384 4.634 1.00 0.00 C ATOM 58 C ASP A 5 7.715 10.467 3.198 1.00 0.00 C ATOM 59 O ASP A 5 8.736 11.115 2.950 1.00 0.00 O ATOM 60 CB ASP A 5 6.132 11.461 4.875 1.00 0.00 C ATOM 61 CG ASP A 5 4.977 11.320 3.875 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.129 10.422 4.058 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.952 12.078 2.882 1.00 0.00 O ATOM 0 H ASP A 5 9.060 11.167 5.168 1.00 0.00 H new ATOM 0 HA ASP A 5 6.754 9.404 4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.750 11.378 5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.580 12.450 4.782 1.00 0.00 H new ATOM 68 N LEU A 6 7.011 9.834 2.253 1.00 0.00 N ATOM 69 CA LEU A 6 7.355 9.810 0.834 1.00 0.00 C ATOM 70 C LEU A 6 7.613 11.208 0.260 1.00 0.00 C ATOM 71 O LEU A 6 8.466 11.354 -0.613 1.00 0.00 O ATOM 72 CB LEU A 6 6.221 9.149 0.027 1.00 0.00 C ATOM 73 CG LEU A 6 6.037 7.627 0.190 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.870 7.168 -0.697 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.298 6.837 -0.177 1.00 0.00 C ATOM 0 H LEU A 6 6.162 9.310 2.465 1.00 0.00 H new ATOM 0 HA LEU A 6 8.278 9.236 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.284 9.634 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.391 9.358 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 6 5.829 7.430 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.732 6.092 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.958 7.683 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.090 7.402 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.111 5.771 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.560 7.032 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.121 7.145 0.468 1.00 0.00 H new ATOM 87 N ALA A 7 6.904 12.237 0.735 1.00 0.00 N ATOM 88 CA ALA A 7 7.036 13.597 0.228 1.00 0.00 C ATOM 89 C ALA A 7 8.418 14.199 0.510 1.00 0.00 C ATOM 90 O ALA A 7 8.829 15.129 -0.185 1.00 0.00 O ATOM 91 CB ALA A 7 5.943 14.484 0.835 1.00 0.00 C ATOM 0 H ALA A 7 6.220 12.144 1.486 1.00 0.00 H new ATOM 0 HA ALA A 7 6.922 13.553 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.045 15.500 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.963 14.091 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.042 14.492 1.920 1.00 0.00 H new ATOM 97 N LEU A 8 9.135 13.697 1.525 1.00 0.00 N ATOM 98 CA LEU A 8 10.462 14.192 1.887 1.00 0.00 C ATOM 99 C LEU A 8 11.532 13.673 0.921 1.00 0.00 C ATOM 100 O LEU A 8 12.628 14.231 0.865 1.00 0.00 O ATOM 101 CB LEU A 8 10.828 13.768 3.324 1.00 0.00 C ATOM 102 CG LEU A 8 9.836 14.201 4.421 1.00 0.00 C ATOM 103 CD1 LEU A 8 10.371 13.767 5.791 1.00 0.00 C ATOM 104 CD2 LEU A 8 9.583 15.714 4.436 1.00 0.00 C ATOM 0 H LEU A 8 8.806 12.934 2.117 1.00 0.00 H new ATOM 0 HA LEU A 8 10.430 15.280 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.920 12.682 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.809 14.177 3.565 1.00 0.00 H new ATOM 0 HG LEU A 8 8.885 13.716 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.671 14.072 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.485 12.683 5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.338 14.237 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.876 15.957 5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.522 16.238 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.170 16.023 3.476 1.00 0.00 H new ATOM 116 N ILE A 9 11.245 12.589 0.194 1.00 0.00 N ATOM 117 CA ILE A 9 12.204 11.906 -0.666 1.00 0.00 C ATOM 118 C ILE A 9 12.509 12.823 -1.870 1.00 0.00 C ATOM 119 O ILE A 9 11.560 13.297 -2.503 1.00 0.00 O ATOM 120 CB ILE A 9 11.624 10.531 -1.081 1.00 0.00 C ATOM 121 CG1 ILE A 9 11.310 9.684 0.180 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.598 9.781 -2.002 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.750 8.288 -0.104 1.00 0.00 C ATOM 0 H ILE A 9 10.321 12.157 0.190 1.00 0.00 H new ATOM 0 HA ILE A 9 13.144 11.709 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 9 10.699 10.699 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 9 12.223 9.581 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.594 10.228 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.168 8.819 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.777 10.371 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.541 9.620 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.562 7.773 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.818 8.377 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.471 7.719 -0.691 1.00 0.00 H new ATOM 135 N PRO A 10 13.791 13.084 -2.210 1.00 0.00 N ATOM 136 CA PRO A 10 14.167 13.757 -3.452 1.00 0.00 C ATOM 137 C PRO A 10 13.535 13.032 -4.641 1.00 0.00 C ATOM 138 O PRO A 10 13.608 11.803 -4.714 1.00 0.00 O ATOM 139 CB PRO A 10 15.700 13.720 -3.514 1.00 0.00 C ATOM 140 CG PRO A 10 16.114 13.558 -2.053 1.00 0.00 C ATOM 141 CD PRO A 10 14.983 12.722 -1.458 1.00 0.00 C ATOM 0 HA PRO A 10 13.814 14.788 -3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.057 12.892 -4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.106 14.634 -3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.077 13.056 -1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.208 14.522 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.194 11.656 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.856 12.934 -0.396 1.00 0.00 H new ATOM 149 N ASP A 11 12.952 13.757 -5.594 1.00 0.00 N ATOM 150 CA ASP A 11 12.127 13.132 -6.631 1.00 0.00 C ATOM 151 C ASP A 11 12.886 12.837 -7.926 1.00 0.00 C ATOM 152 O ASP A 11 12.774 11.740 -8.482 1.00 0.00 O ATOM 153 CB ASP A 11 10.922 14.029 -6.903 1.00 0.00 C ATOM 154 CG ASP A 11 9.878 13.275 -7.712 1.00 0.00 C ATOM 155 OD1 ASP A 11 9.379 12.238 -7.229 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.510 13.722 -8.817 1.00 0.00 O ATOM 0 H ASP A 11 13.033 14.771 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 11 11.807 12.160 -6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.489 14.365 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.238 14.921 -7.444 1.00 0.00 H new ATOM 161 N VAL A 12 13.759 13.750 -8.359 1.00 0.00 N ATOM 162 CA VAL A 12 14.548 13.628 -9.583 1.00 0.00 C ATOM 163 C VAL A 12 15.947 14.152 -9.271 1.00 0.00 C ATOM 164 O VAL A 12 16.091 15.214 -8.659 1.00 0.00 O ATOM 165 CB VAL A 12 13.905 14.441 -10.734 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.669 14.272 -12.060 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.444 14.050 -10.990 1.00 0.00 C ATOM 0 H VAL A 12 13.940 14.617 -7.853 1.00 0.00 H new ATOM 0 HA VAL A 12 14.590 12.589 -9.909 1.00 0.00 H new ATOM 0 HB VAL A 12 13.953 15.478 -10.402 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.182 14.860 -12.838 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.696 14.616 -11.935 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.671 13.221 -12.347 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.044 14.651 -11.807 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.391 12.995 -11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.857 14.226 -10.089 1.00 0.00 H new ATOM 177 N ASP A 13 16.972 13.415 -9.696 1.00 0.00 N ATOM 178 CA ASP A 13 18.360 13.862 -9.684 1.00 0.00 C ATOM 179 C ASP A 13 19.089 13.020 -10.724 1.00 0.00 C ATOM 180 O ASP A 13 19.069 11.791 -10.636 1.00 0.00 O ATOM 181 CB ASP A 13 19.006 13.695 -8.302 1.00 0.00 C ATOM 182 CG ASP A 13 20.474 14.151 -8.321 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.774 15.235 -8.869 1.00 0.00 O ATOM 184 OD2 ASP A 13 21.330 13.443 -7.747 1.00 0.00 O ATOM 0 H ASP A 13 16.856 12.471 -10.065 1.00 0.00 H new ATOM 0 HA ASP A 13 18.418 14.926 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.451 14.275 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.950 12.651 -7.994 1.00 0.00 H new ATOM 189 N ILE A 14 19.654 13.660 -11.746 1.00 0.00 N ATOM 190 CA ILE A 14 20.249 12.997 -12.901 1.00 0.00 C ATOM 191 C ILE A 14 21.529 13.738 -13.311 1.00 0.00 C ATOM 192 O ILE A 14 21.724 14.904 -12.949 1.00 0.00 O ATOM 193 CB ILE A 14 19.232 12.876 -14.067 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.580 14.223 -14.467 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.154 11.822 -13.748 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.863 14.171 -15.821 1.00 0.00 C ATOM 0 H ILE A 14 19.711 14.677 -11.794 1.00 0.00 H new ATOM 0 HA ILE A 14 20.521 11.976 -12.632 1.00 0.00 H new ATOM 0 HB ILE A 14 19.808 12.550 -14.933 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.867 14.516 -13.697 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.349 14.995 -14.500 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.453 11.755 -14.580 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.628 10.852 -13.594 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.618 12.112 -12.844 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.429 15.146 -16.041 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.577 13.908 -16.601 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.072 13.422 -15.785 1.00 0.00 H new ATOM 208 N ASP A 15 22.412 13.042 -14.029 1.00 0.00 N ATOM 209 CA ASP A 15 23.725 13.538 -14.450 1.00 0.00 C ATOM 210 C ASP A 15 23.625 14.718 -15.433 1.00 0.00 C ATOM 211 O ASP A 15 22.548 15.037 -15.949 1.00 0.00 O ATOM 212 CB ASP A 15 24.539 12.396 -15.085 1.00 0.00 C ATOM 213 CG ASP A 15 26.025 12.463 -14.711 1.00 0.00 C ATOM 214 OD1 ASP A 15 26.692 13.450 -15.093 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.514 11.525 -14.044 1.00 0.00 O ATOM 0 H ASP A 15 22.229 12.089 -14.343 1.00 0.00 H new ATOM 0 HA ASP A 15 24.231 13.905 -13.557 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.129 11.438 -14.764 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.437 12.439 -16.169 1.00 0.00 H new ATOM 220 N SER A 16 24.778 15.313 -15.744 1.00 0.00 N ATOM 221 CA SER A 16 24.949 16.437 -16.658 1.00 0.00 C ATOM 222 C SER A 16 26.152 16.230 -17.600 1.00 0.00 C ATOM 223 O SER A 16 26.407 17.088 -18.445 1.00 0.00 O ATOM 224 CB SER A 16 25.112 17.734 -15.847 1.00 0.00 C ATOM 225 OG SER A 16 24.066 17.912 -14.899 1.00 0.00 O ATOM 0 H SER A 16 25.663 15.005 -15.342 1.00 0.00 H new ATOM 0 HA SER A 16 24.060 16.508 -17.285 1.00 0.00 H new ATOM 0 HB2 SER A 16 26.071 17.718 -15.328 1.00 0.00 H new ATOM 0 HB3 SER A 16 25.132 18.585 -16.527 1.00 0.00 H new ATOM 0 HG SER A 16 24.210 18.746 -14.406 1.00 0.00 H new ATOM 231 N ASP A 17 26.898 15.118 -17.481 1.00 0.00 N ATOM 232 CA ASP A 17 28.118 14.873 -18.261 1.00 0.00 C ATOM 233 C ASP A 17 27.866 14.878 -19.773 1.00 0.00 C ATOM 234 O ASP A 17 28.640 15.479 -20.522 1.00 0.00 O ATOM 235 CB ASP A 17 28.749 13.536 -17.851 1.00 0.00 C ATOM 236 CG ASP A 17 29.988 13.231 -18.710 1.00 0.00 C ATOM 237 OD1 ASP A 17 31.066 13.810 -18.449 1.00 0.00 O ATOM 238 OD2 ASP A 17 29.895 12.399 -19.640 1.00 0.00 O ATOM 0 H ASP A 17 26.668 14.361 -16.837 1.00 0.00 H new ATOM 0 HA ASP A 17 28.801 15.694 -18.041 1.00 0.00 H new ATOM 0 HB2 ASP A 17 29.030 13.569 -16.798 1.00 0.00 H new ATOM 0 HB3 ASP A 17 28.018 12.735 -17.961 1.00 0.00 H new ATOM 243 N GLY A 18 26.774 14.249 -20.223 1.00 0.00 N ATOM 244 CA GLY A 18 26.343 14.272 -21.616 1.00 0.00 C ATOM 245 C GLY A 18 25.428 13.096 -21.924 1.00 0.00 C ATOM 246 O GLY A 18 24.266 13.298 -22.279 1.00 0.00 O ATOM 0 H GLY A 18 26.160 13.704 -19.618 1.00 0.00 H new ATOM 0 HA2 GLY A 18 25.822 15.207 -21.824 1.00 0.00 H new ATOM 0 HA3 GLY A 18 27.214 14.240 -22.270 1.00 0.00 H new ATOM 250 N VAL A 19 25.922 11.873 -21.712 1.00 0.00 N ATOM 251 CA VAL A 19 25.209 10.628 -21.985 1.00 0.00 C ATOM 252 C VAL A 19 25.512 9.679 -20.823 1.00 0.00 C ATOM 253 O VAL A 19 26.667 9.565 -20.404 1.00 0.00 O ATOM 254 CB VAL A 19 25.649 10.041 -23.348 1.00 0.00 C ATOM 255 CG1 VAL A 19 24.924 8.719 -23.652 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.397 11.015 -24.512 1.00 0.00 C ATOM 0 H VAL A 19 26.857 11.720 -21.334 1.00 0.00 H new ATOM 0 HA VAL A 19 24.134 10.791 -22.058 1.00 0.00 H new ATOM 0 HB VAL A 19 26.721 9.863 -23.262 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.257 8.335 -24.616 1.00 0.00 H new ATOM 0 HG12 VAL A 19 25.152 7.991 -22.873 1.00 0.00 H new ATOM 0 HG13 VAL A 19 23.848 8.893 -23.682 1.00 0.00 H new ATOM 0 HG21 VAL A 19 25.722 10.557 -25.446 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.333 11.244 -24.571 1.00 0.00 H new ATOM 0 HG23 VAL A 19 25.957 11.935 -24.344 1.00 0.00 H new ATOM 266 N PHE A 20 24.480 9.029 -20.281 1.00 0.00 N ATOM 267 CA PHE A 20 24.558 8.186 -19.090 1.00 0.00 C ATOM 268 C PHE A 20 23.332 7.270 -19.034 1.00 0.00 C ATOM 269 O PHE A 20 22.407 7.410 -19.840 1.00 0.00 O ATOM 270 CB PHE A 20 24.648 9.071 -17.830 1.00 0.00 C ATOM 271 CG PHE A 20 23.503 10.057 -17.649 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.501 11.283 -18.344 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.442 9.756 -16.773 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.454 12.203 -18.157 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.398 10.677 -16.582 1.00 0.00 C ATOM 276 CZ PHE A 20 21.409 11.903 -17.269 1.00 0.00 C ATOM 0 H PHE A 20 23.539 9.077 -20.672 1.00 0.00 H new ATOM 0 HA PHE A 20 25.453 7.565 -19.133 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.692 8.424 -16.954 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.584 9.628 -17.862 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.307 11.517 -19.023 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.431 8.813 -16.246 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.454 13.139 -18.696 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.588 10.443 -15.908 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.612 12.615 -17.114 1.00 0.00 H new ATOM 286 N LYS A 21 23.311 6.330 -18.084 1.00 0.00 N ATOM 287 CA LYS A 21 22.208 5.384 -17.916 1.00 0.00 C ATOM 288 C LYS A 21 21.418 5.748 -16.665 1.00 0.00 C ATOM 289 O LYS A 21 21.948 6.400 -15.761 1.00 0.00 O ATOM 290 CB LYS A 21 22.731 3.939 -17.849 1.00 0.00 C ATOM 291 CG LYS A 21 23.540 3.558 -19.101 1.00 0.00 C ATOM 292 CD LYS A 21 23.721 2.039 -19.214 1.00 0.00 C ATOM 293 CE LYS A 21 24.679 1.658 -20.353 1.00 0.00 C ATOM 294 NZ LYS A 21 26.108 1.818 -19.983 1.00 0.00 N ATOM 0 H LYS A 21 24.064 6.205 -17.407 1.00 0.00 H new ATOM 0 HA LYS A 21 21.545 5.446 -18.779 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.356 3.821 -16.964 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.890 3.254 -17.739 1.00 0.00 H new ATOM 0 HG2 LYS A 21 23.033 3.932 -19.991 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.517 4.040 -19.065 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.104 1.648 -18.271 1.00 0.00 H new ATOM 0 HD3 LYS A 21 22.752 1.570 -19.383 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.498 0.623 -20.643 1.00 0.00 H new ATOM 0 HE3 LYS A 21 24.463 2.276 -21.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.699 1.263 -20.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.373 2.822 -20.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 26.254 1.482 -19.010 1.00 0.00 H new ATOM 308 N TYR A 22 20.154 5.336 -16.608 1.00 0.00 N ATOM 309 CA TYR A 22 19.228 5.728 -15.554 1.00 0.00 C ATOM 310 C TYR A 22 18.301 4.547 -15.213 1.00 0.00 C ATOM 311 O TYR A 22 18.291 3.527 -15.918 1.00 0.00 O ATOM 312 CB TYR A 22 18.487 7.019 -15.978 1.00 0.00 C ATOM 313 CG TYR A 22 17.045 6.805 -16.355 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.741 6.197 -17.581 1.00 0.00 C ATOM 315 CD2 TYR A 22 16.029 7.073 -15.419 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.436 5.759 -17.835 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.718 6.646 -15.670 1.00 0.00 C ATOM 318 CZ TYR A 22 14.433 5.950 -16.859 1.00 0.00 C ATOM 319 OH TYR A 22 13.193 5.439 -17.040 1.00 0.00 O ATOM 0 H TYR A 22 19.741 4.713 -17.302 1.00 0.00 H new ATOM 0 HA TYR A 22 19.757 5.968 -14.632 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.535 7.738 -15.160 1.00 0.00 H new ATOM 0 HB3 TYR A 22 19.010 7.464 -16.824 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.511 6.067 -18.327 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.259 7.607 -14.509 1.00 0.00 H new ATOM 0 HE1 TYR A 22 15.197 5.278 -18.772 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.933 6.850 -14.957 1.00 0.00 H new ATOM 0 HH TYR A 22 12.530 6.157 -16.968 1.00 0.00 H new ATOM 329 N VAL A 23 17.526 4.684 -14.136 1.00 0.00 N ATOM 330 CA VAL A 23 16.541 3.716 -13.673 1.00 0.00 C ATOM 331 C VAL A 23 15.322 4.479 -13.120 1.00 0.00 C ATOM 332 O VAL A 23 15.453 5.612 -12.634 1.00 0.00 O ATOM 333 CB VAL A 23 17.223 2.772 -12.653 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.527 3.453 -11.309 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.434 1.478 -12.415 1.00 0.00 C ATOM 0 H VAL A 23 17.573 5.510 -13.539 1.00 0.00 H new ATOM 0 HA VAL A 23 16.167 3.084 -14.478 1.00 0.00 H new ATOM 0 HB VAL A 23 18.173 2.509 -13.118 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.004 2.738 -10.639 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.195 4.299 -11.473 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.598 3.806 -10.861 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.962 0.858 -11.691 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.444 1.721 -12.030 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.335 0.934 -13.355 1.00 0.00 H new ATOM 345 N LEU A 24 14.148 3.842 -13.160 1.00 0.00 N ATOM 346 CA LEU A 24 12.892 4.357 -12.622 1.00 0.00 C ATOM 347 C LEU A 24 12.509 3.395 -11.506 1.00 0.00 C ATOM 348 O LEU A 24 12.287 2.215 -11.795 1.00 0.00 O ATOM 349 CB LEU A 24 11.813 4.378 -13.727 1.00 0.00 C ATOM 350 CG LEU A 24 10.445 4.961 -13.304 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.538 6.461 -13.021 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.409 4.732 -14.410 1.00 0.00 C ATOM 0 H LEU A 24 14.046 2.920 -13.584 1.00 0.00 H new ATOM 0 HA LEU A 24 12.987 5.378 -12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.191 4.957 -14.570 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.661 3.359 -14.083 1.00 0.00 H new ATOM 0 HG LEU A 24 10.141 4.449 -12.391 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.558 6.837 -12.726 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.251 6.636 -12.215 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.871 6.981 -13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.449 5.147 -14.101 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.739 5.224 -15.325 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.301 3.663 -14.591 1.00 0.00 H new ATOM 364 N ILE A 25 12.457 3.846 -10.249 1.00 0.00 N ATOM 365 CA ILE A 25 12.174 2.957 -9.123 1.00 0.00 C ATOM 366 C ILE A 25 10.913 3.433 -8.405 1.00 0.00 C ATOM 367 O ILE A 25 10.745 4.628 -8.162 1.00 0.00 O ATOM 368 CB ILE A 25 13.411 2.686 -8.210 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.317 3.254 -6.775 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.774 3.061 -8.833 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.330 2.635 -5.807 1.00 0.00 C ATOM 0 H ILE A 25 12.607 4.821 -9.988 1.00 0.00 H new ATOM 0 HA ILE A 25 11.960 1.959 -9.504 1.00 0.00 H new ATOM 0 HB ILE A 25 13.371 1.600 -8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.470 4.333 -6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.310 3.087 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.572 2.837 -8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.927 2.486 -9.746 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.786 4.125 -9.068 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.208 3.079 -4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.163 1.560 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.341 2.825 -6.168 1.00 0.00 H new ATOM 383 N ARG A 26 10.030 2.488 -8.083 1.00 0.00 N ATOM 384 CA ARG A 26 8.875 2.691 -7.222 1.00 0.00 C ATOM 385 C ARG A 26 9.338 2.597 -5.777 1.00 0.00 C ATOM 386 O ARG A 26 10.240 1.818 -5.474 1.00 0.00 O ATOM 387 CB ARG A 26 7.831 1.611 -7.533 1.00 0.00 C ATOM 388 CG ARG A 26 6.549 1.733 -6.686 1.00 0.00 C ATOM 389 CD ARG A 26 5.349 1.054 -7.359 1.00 0.00 C ATOM 390 NE ARG A 26 4.906 1.842 -8.518 1.00 0.00 N ATOM 391 CZ ARG A 26 4.066 1.478 -9.489 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.487 0.279 -9.474 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.818 2.330 -10.477 1.00 0.00 N ATOM 0 H ARG A 26 10.105 1.531 -8.428 1.00 0.00 H new ATOM 0 HA ARG A 26 8.424 3.669 -7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.566 1.666 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.275 0.629 -7.367 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.717 1.284 -5.707 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.323 2.786 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.622 0.048 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.532 0.952 -6.645 1.00 0.00 H new ATOM 0 HE ARG A 26 5.288 2.785 -8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.684 -0.373 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.847 0.012 -10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.267 3.246 -10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.179 2.069 -11.227 1.00 0.00 H new ATOM 407 N VAL A 27 8.673 3.326 -4.894 1.00 0.00 N ATOM 408 CA VAL A 27 8.933 3.413 -3.469 1.00 0.00 C ATOM 409 C VAL A 27 7.556 3.330 -2.798 1.00 0.00 C ATOM 410 O VAL A 27 6.598 3.909 -3.316 1.00 0.00 O ATOM 411 CB VAL A 27 9.637 4.758 -3.167 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.119 4.826 -1.714 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.841 5.051 -4.082 1.00 0.00 C ATOM 0 H VAL A 27 7.886 3.910 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 27 9.586 2.621 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 27 8.874 5.513 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.608 5.784 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.266 4.725 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.826 4.018 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.281 6.010 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.586 4.264 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.509 5.087 -5.120 1.00 0.00 H new ATOM 423 N HIS A 28 7.452 2.633 -1.666 1.00 0.00 N ATOM 424 CA HIS A 28 6.205 2.411 -0.931 1.00 0.00 C ATOM 425 C HIS A 28 6.281 3.108 0.433 1.00 0.00 C ATOM 426 O HIS A 28 7.377 3.307 0.966 1.00 0.00 O ATOM 427 CB HIS A 28 5.988 0.901 -0.755 1.00 0.00 C ATOM 428 CG HIS A 28 5.983 0.124 -2.052 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.042 0.202 -3.053 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.911 -0.800 -2.453 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.388 -0.659 -4.022 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.531 -1.295 -3.707 1.00 0.00 N ATOM 0 H HIS A 28 8.258 2.194 -1.221 1.00 0.00 H new ATOM 0 HA HIS A 28 5.365 2.828 -1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.772 0.505 -0.109 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.040 0.738 -0.242 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.788 -1.097 -1.896 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.826 -0.820 -4.930 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.020 -1.994 -4.266 1.00 0.00 H new ATOM 440 N SER A 29 5.124 3.474 0.998 1.00 0.00 N ATOM 441 CA SER A 29 5.007 4.199 2.263 1.00 0.00 C ATOM 442 C SER A 29 5.431 3.344 3.468 1.00 0.00 C ATOM 443 O SER A 29 4.595 2.793 4.186 1.00 0.00 O ATOM 444 CB SER A 29 3.585 4.744 2.458 1.00 0.00 C ATOM 445 OG SER A 29 3.163 5.540 1.371 1.00 0.00 O ATOM 0 H SER A 29 4.220 3.267 0.574 1.00 0.00 H new ATOM 0 HA SER A 29 5.696 5.041 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.893 3.911 2.586 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.547 5.334 3.374 1.00 0.00 H new ATOM 0 HG SER A 29 3.298 5.049 0.534 1.00 0.00 H new ATOM 451 N ALA A 30 6.740 3.239 3.693 1.00 0.00 N ATOM 452 CA ALA A 30 7.339 2.667 4.891 1.00 0.00 C ATOM 453 C ALA A 30 8.511 3.483 5.497 1.00 0.00 C ATOM 454 O ALA A 30 9.155 2.925 6.387 1.00 0.00 O ATOM 455 CB ALA A 30 7.721 1.205 4.602 1.00 0.00 C ATOM 0 H ALA A 30 7.435 3.562 3.020 1.00 0.00 H new ATOM 0 HA ALA A 30 6.586 2.707 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.171 0.764 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.828 0.642 4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.435 1.171 3.779 1.00 0.00 H new ATOM 461 N PRO A 31 8.840 4.749 5.118 1.00 0.00 N ATOM 462 CA PRO A 31 9.856 5.525 5.834 1.00 0.00 C ATOM 463 C PRO A 31 9.735 5.437 7.364 1.00 0.00 C ATOM 464 O PRO A 31 8.634 5.495 7.923 1.00 0.00 O ATOM 465 CB PRO A 31 9.720 6.969 5.356 1.00 0.00 C ATOM 466 CG PRO A 31 9.131 6.855 3.961 1.00 0.00 C ATOM 467 CD PRO A 31 8.335 5.552 4.002 1.00 0.00 C ATOM 0 HA PRO A 31 10.841 5.115 5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.071 7.546 6.015 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.686 7.474 5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.492 7.706 3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.911 6.823 3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.272 5.758 4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.443 5.010 3.063 1.00 0.00 H new ATOM 475 N ARG A 32 10.886 5.290 8.028 1.00 0.00 N ATOM 476 CA ARG A 32 11.071 5.083 9.470 1.00 0.00 C ATOM 477 C ARG A 32 10.136 4.027 10.080 1.00 0.00 C ATOM 478 O ARG A 32 9.893 4.059 11.288 1.00 0.00 O ATOM 479 CB ARG A 32 11.017 6.448 10.187 1.00 0.00 C ATOM 480 CG ARG A 32 12.110 7.455 9.770 1.00 0.00 C ATOM 481 CD ARG A 32 13.504 7.160 10.343 1.00 0.00 C ATOM 482 NE ARG A 32 14.205 6.057 9.650 1.00 0.00 N ATOM 483 CZ ARG A 32 15.000 5.141 10.224 1.00 0.00 C ATOM 484 NH1 ARG A 32 15.124 5.079 11.548 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.676 4.279 9.472 1.00 0.00 N ATOM 0 H ARG A 32 11.779 5.314 7.536 1.00 0.00 H new ATOM 0 HA ARG A 32 12.059 4.648 9.624 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.042 6.898 10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.092 6.279 11.261 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.175 7.471 8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.806 8.453 10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.112 8.062 10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.409 6.912 11.400 1.00 0.00 H new ATOM 0 HE ARG A 32 14.072 5.986 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.611 5.733 12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.732 4.378 11.971 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.591 4.313 8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.280 3.584 9.911 1.00 0.00 H new ATOM 499 N SER A 33 9.613 3.098 9.273 1.00 0.00 N ATOM 500 CA SER A 33 8.596 2.125 9.665 1.00 0.00 C ATOM 501 C SER A 33 7.399 2.792 10.374 1.00 0.00 C ATOM 502 O SER A 33 6.779 2.186 11.252 1.00 0.00 O ATOM 503 CB SER A 33 9.250 0.995 10.479 1.00 0.00 C ATOM 504 OG SER A 33 10.400 0.482 9.817 1.00 0.00 O ATOM 0 H SER A 33 9.897 3.002 8.298 1.00 0.00 H new ATOM 0 HA SER A 33 8.167 1.673 8.771 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.531 1.368 11.464 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.529 0.192 10.636 1.00 0.00 H new ATOM 0 HG SER A 33 10.796 -0.233 10.357 1.00 0.00 H new ATOM 510 N GLY A 34 7.087 4.046 10.019 1.00 0.00 N ATOM 511 CA GLY A 34 6.112 4.869 10.729 1.00 0.00 C ATOM 512 C GLY A 34 5.354 5.843 9.826 1.00 0.00 C ATOM 513 O GLY A 34 4.394 6.460 10.293 1.00 0.00 O ATOM 0 H GLY A 34 7.512 4.518 9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.395 4.217 11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.625 5.434 11.507 1.00 0.00 H new ATOM 517 N ALA A 35 5.737 5.977 8.548 1.00 0.00 N ATOM 518 CA ALA A 35 4.962 6.731 7.568 1.00 0.00 C ATOM 519 C ALA A 35 3.516 6.200 7.506 1.00 0.00 C ATOM 520 O ALA A 35 3.319 4.981 7.593 1.00 0.00 O ATOM 521 CB ALA A 35 5.615 6.611 6.192 1.00 0.00 C ATOM 0 H ALA A 35 6.591 5.565 8.171 1.00 0.00 H new ATOM 0 HA ALA A 35 4.939 7.779 7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.034 7.175 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.629 7.009 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.649 5.563 5.896 1.00 0.00 H new ATOM 527 N PRO A 36 2.508 7.071 7.329 1.00 0.00 N ATOM 528 CA PRO A 36 1.119 6.651 7.197 1.00 0.00 C ATOM 529 C PRO A 36 0.868 5.955 5.849 1.00 0.00 C ATOM 530 O PRO A 36 1.633 6.122 4.894 1.00 0.00 O ATOM 531 CB PRO A 36 0.299 7.941 7.332 1.00 0.00 C ATOM 532 CG PRO A 36 1.241 9.017 6.793 1.00 0.00 C ATOM 533 CD PRO A 36 2.619 8.519 7.227 1.00 0.00 C ATOM 0 HA PRO A 36 0.842 5.918 7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.626 7.892 6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.020 8.133 8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.169 9.110 5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.016 9.997 7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.382 8.802 6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.909 8.956 8.182 1.00 0.00 H new ATOM 541 N ALA A 37 -0.271 5.258 5.768 1.00 0.00 N ATOM 542 CA ALA A 37 -0.809 4.590 4.581 1.00 0.00 C ATOM 543 C ALA A 37 0.153 3.554 3.964 1.00 0.00 C ATOM 544 O ALA A 37 1.145 3.152 4.575 1.00 0.00 O ATOM 545 CB ALA A 37 -1.280 5.651 3.568 1.00 0.00 C ATOM 0 H ALA A 37 -0.877 5.139 6.580 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.669 3.996 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.681 5.157 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.055 6.268 4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.437 6.280 3.281 1.00 0.00 H new ATOM 551 N ALA A 38 -0.180 3.103 2.750 1.00 0.00 N ATOM 552 CA ALA A 38 0.622 2.224 1.903 1.00 0.00 C ATOM 553 C ALA A 38 0.550 2.723 0.458 1.00 0.00 C ATOM 554 O ALA A 38 0.439 1.936 -0.486 1.00 0.00 O ATOM 555 CB ALA A 38 0.177 0.765 2.066 1.00 0.00 C ATOM 0 H ALA A 38 -1.065 3.357 2.311 1.00 0.00 H new ATOM 0 HA ALA A 38 1.668 2.251 2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.786 0.125 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.299 0.461 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.871 0.670 1.781 1.00 0.00 H new ATOM 561 N GLU A 39 0.556 4.049 0.294 1.00 0.00 N ATOM 562 CA GLU A 39 0.673 4.671 -1.015 1.00 0.00 C ATOM 563 C GLU A 39 2.074 4.410 -1.583 1.00 0.00 C ATOM 564 O GLU A 39 2.988 4.020 -0.844 1.00 0.00 O ATOM 565 CB GLU A 39 0.372 6.178 -0.929 1.00 0.00 C ATOM 566 CG GLU A 39 -1.080 6.460 -0.517 1.00 0.00 C ATOM 567 CD GLU A 39 -1.401 7.965 -0.571 1.00 0.00 C ATOM 568 OE1 GLU A 39 -1.207 8.675 0.441 1.00 0.00 O ATOM 569 OE2 GLU A 39 -1.874 8.453 -1.623 1.00 0.00 O ATOM 0 H GLU A 39 0.480 4.713 1.065 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.061 4.232 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.048 6.641 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.570 6.641 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.758 5.919 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.252 6.086 0.492 1.00 0.00 H new ATOM 576 N SER A 40 2.254 4.664 -2.879 1.00 0.00 N ATOM 577 CA SER A 40 3.515 4.467 -3.579 1.00 0.00 C ATOM 578 C SER A 40 3.761 5.626 -4.546 1.00 0.00 C ATOM 579 O SER A 40 2.819 6.313 -4.954 1.00 0.00 O ATOM 580 CB SER A 40 3.504 3.134 -4.341 1.00 0.00 C ATOM 581 OG SER A 40 2.978 2.073 -3.559 1.00 0.00 O ATOM 0 H SER A 40 1.510 5.019 -3.480 1.00 0.00 H new ATOM 0 HA SER A 40 4.321 4.439 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.911 3.242 -5.249 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.519 2.886 -4.650 1.00 0.00 H new ATOM 0 HG SER A 40 3.667 1.387 -3.432 1.00 0.00 H new ATOM 587 N LYS A 41 5.023 5.837 -4.919 1.00 0.00 N ATOM 588 CA LYS A 41 5.461 6.877 -5.853 1.00 0.00 C ATOM 589 C LYS A 41 6.717 6.403 -6.571 1.00 0.00 C ATOM 590 O LYS A 41 7.399 5.509 -6.073 1.00 0.00 O ATOM 591 CB LYS A 41 5.677 8.213 -5.107 1.00 0.00 C ATOM 592 CG LYS A 41 6.659 8.197 -3.911 1.00 0.00 C ATOM 593 CD LYS A 41 8.166 8.361 -4.182 1.00 0.00 C ATOM 594 CE LYS A 41 8.635 9.815 -4.364 1.00 0.00 C ATOM 595 NZ LYS A 41 8.204 10.403 -5.655 1.00 0.00 N ATOM 0 H LYS A 41 5.795 5.270 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 41 4.691 7.058 -6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.032 8.950 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.709 8.560 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.359 8.992 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.520 7.253 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.720 7.916 -3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.423 7.796 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.246 10.422 -3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.722 9.852 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.793 11.232 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.309 9.696 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.208 10.693 -5.589 1.00 0.00 H new ATOM 609 N GLU A 42 7.076 7.057 -7.674 1.00 0.00 N ATOM 610 CA GLU A 42 8.265 6.722 -8.452 1.00 0.00 C ATOM 611 C GLU A 42 9.302 7.819 -8.241 1.00 0.00 C ATOM 612 O GLU A 42 8.928 8.967 -7.972 1.00 0.00 O ATOM 613 CB GLU A 42 7.922 6.620 -9.951 1.00 0.00 C ATOM 614 CG GLU A 42 7.506 5.222 -10.420 1.00 0.00 C ATOM 615 CD GLU A 42 6.123 4.785 -9.918 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.012 4.348 -8.755 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.147 4.779 -10.703 1.00 0.00 O ATOM 0 H GLU A 42 6.545 7.840 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 42 8.654 5.758 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.115 7.318 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.788 6.940 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.511 5.198 -11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.249 4.500 -10.082 1.00 0.00 H new ATOM 624 N ILE A 43 10.582 7.495 -8.415 1.00 0.00 N ATOM 625 CA ILE A 43 11.695 8.440 -8.440 1.00 0.00 C ATOM 626 C ILE A 43 12.608 8.098 -9.620 1.00 0.00 C ATOM 627 O ILE A 43 12.648 6.949 -10.074 1.00 0.00 O ATOM 628 CB ILE A 43 12.469 8.447 -7.100 1.00 0.00 C ATOM 629 CG1 ILE A 43 13.055 7.067 -6.730 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.560 8.980 -5.983 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.969 7.084 -5.500 1.00 0.00 C ATOM 0 H ILE A 43 10.883 6.529 -8.547 1.00 0.00 H new ATOM 0 HA ILE A 43 11.305 9.449 -8.571 1.00 0.00 H new ATOM 0 HB ILE A 43 13.326 9.110 -7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.235 6.372 -6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.617 6.683 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.107 8.984 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.244 9.995 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.683 8.340 -5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.339 6.077 -5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.811 7.751 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.408 7.436 -4.634 1.00 0.00 H new ATOM 643 N VAL A 44 13.349 9.100 -10.098 1.00 0.00 N ATOM 644 CA VAL A 44 14.180 9.015 -11.295 1.00 0.00 C ATOM 645 C VAL A 44 15.616 9.288 -10.855 1.00 0.00 C ATOM 646 O VAL A 44 15.878 10.350 -10.278 1.00 0.00 O ATOM 647 CB VAL A 44 13.680 10.054 -12.328 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.490 10.019 -13.631 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.199 9.860 -12.694 1.00 0.00 C ATOM 0 H VAL A 44 13.387 10.015 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 44 14.128 8.036 -11.771 1.00 0.00 H new ATOM 0 HB VAL A 44 13.812 11.017 -11.835 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.100 10.766 -14.322 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.536 10.236 -13.415 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.410 9.030 -14.083 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.902 10.615 -13.421 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.057 8.868 -13.123 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.587 9.959 -11.798 1.00 0.00 H new ATOM 659 N ARG A 45 16.542 8.358 -11.128 1.00 0.00 N ATOM 660 CA ARG A 45 17.976 8.526 -10.868 1.00 0.00 C ATOM 661 C ARG A 45 18.749 8.041 -12.082 1.00 0.00 C ATOM 662 O ARG A 45 18.324 7.083 -12.727 1.00 0.00 O ATOM 663 CB ARG A 45 18.439 7.704 -9.645 1.00 0.00 C ATOM 664 CG ARG A 45 17.943 8.189 -8.278 1.00 0.00 C ATOM 665 CD ARG A 45 18.343 9.628 -7.933 1.00 0.00 C ATOM 666 NE ARG A 45 17.141 10.456 -7.818 1.00 0.00 N ATOM 667 CZ ARG A 45 16.391 10.601 -6.726 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.845 10.274 -5.519 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.157 11.054 -6.860 1.00 0.00 N ATOM 0 H ARG A 45 16.311 7.455 -11.542 1.00 0.00 H new ATOM 0 HA ARG A 45 18.160 9.581 -10.666 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.113 6.673 -9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.529 7.695 -9.631 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.856 8.111 -8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.330 7.523 -7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.901 9.647 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.001 10.029 -8.704 1.00 0.00 H new ATOM 0 HE ARG A 45 16.851 10.969 -8.650 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.789 9.902 -5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.249 10.395 -4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.796 11.285 -7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.565 11.173 -6.038 1.00 0.00 H new ATOM 683 N GLY A 46 19.907 8.635 -12.357 1.00 0.00 N ATOM 684 CA GLY A 46 20.828 8.149 -13.370 1.00 0.00 C ATOM 685 C GLY A 46 22.116 8.943 -13.330 1.00 0.00 C ATOM 686 O GLY A 46 22.071 10.167 -13.209 1.00 0.00 O ATOM 0 H GLY A 46 20.232 9.474 -11.877 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.038 7.092 -13.204 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.372 8.232 -14.356 1.00 0.00 H new ATOM 690 N TYR A 47 23.249 8.247 -13.433 1.00 0.00 N ATOM 691 CA TYR A 47 24.571 8.827 -13.239 1.00 0.00 C ATOM 692 C TYR A 47 25.574 8.066 -14.090 1.00 0.00 C ATOM 693 O TYR A 47 25.412 6.863 -14.297 1.00 0.00 O ATOM 694 CB TYR A 47 24.993 8.726 -11.769 1.00 0.00 C ATOM 695 CG TYR A 47 24.006 9.313 -10.779 1.00 0.00 C ATOM 696 CD1 TYR A 47 23.996 10.694 -10.514 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.100 8.462 -10.122 1.00 0.00 C ATOM 698 CE1 TYR A 47 23.096 11.222 -9.570 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.211 8.978 -9.166 1.00 0.00 C ATOM 700 CZ TYR A 47 22.210 10.362 -8.880 1.00 0.00 C ATOM 701 OH TYR A 47 21.373 10.843 -7.925 1.00 0.00 O ATOM 0 H TYR A 47 23.270 7.252 -13.657 1.00 0.00 H new ATOM 0 HA TYR A 47 24.541 9.877 -13.528 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.151 7.676 -11.523 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.952 9.230 -11.646 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.679 11.349 -11.035 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.088 7.407 -10.354 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.082 12.284 -9.372 1.00 0.00 H new ATOM 0 HE2 TYR A 47 21.529 8.318 -8.650 1.00 0.00 H new ATOM 0 HH TYR A 47 21.652 11.747 -7.671 1.00 0.00 H new ATOM 711 N LYS A 48 26.646 8.736 -14.524 1.00 0.00 N ATOM 712 CA LYS A 48 27.743 8.080 -15.234 1.00 0.00 C ATOM 713 C LYS A 48 28.349 6.986 -14.349 1.00 0.00 C ATOM 714 O LYS A 48 28.647 5.910 -14.857 1.00 0.00 O ATOM 715 CB LYS A 48 28.778 9.135 -15.685 1.00 0.00 C ATOM 716 CG LYS A 48 29.606 8.770 -16.933 1.00 0.00 C ATOM 717 CD LYS A 48 30.611 7.620 -16.756 1.00 0.00 C ATOM 718 CE LYS A 48 31.534 7.516 -17.978 1.00 0.00 C ATOM 719 NZ LYS A 48 32.553 6.448 -17.826 1.00 0.00 N ATOM 0 H LYS A 48 26.775 9.739 -14.394 1.00 0.00 H new ATOM 0 HA LYS A 48 27.374 7.592 -16.136 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.254 10.071 -15.880 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.464 9.321 -14.858 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.919 8.507 -17.737 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.151 9.657 -17.257 1.00 0.00 H new ATOM 0 HD2 LYS A 48 31.206 7.785 -15.857 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.076 6.681 -16.617 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.935 7.319 -18.867 1.00 0.00 H new ATOM 0 HE3 LYS A 48 32.034 8.472 -18.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.074 6.336 -18.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 33.216 6.706 -17.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.083 5.552 -17.585 1.00 0.00 H new ATOM 733 N TRP A 49 28.491 7.214 -13.035 1.00 0.00 N ATOM 734 CA TRP A 49 29.089 6.216 -12.150 1.00 0.00 C ATOM 735 C TRP A 49 28.308 4.896 -12.136 1.00 0.00 C ATOM 736 O TRP A 49 28.925 3.839 -11.988 1.00 0.00 O ATOM 737 CB TRP A 49 29.349 6.778 -10.740 1.00 0.00 C ATOM 738 CG TRP A 49 28.238 7.467 -9.994 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.190 8.794 -9.730 1.00 0.00 C ATOM 740 CD2 TRP A 49 27.064 6.902 -9.326 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.090 9.084 -8.950 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.357 7.953 -8.664 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.524 5.605 -9.195 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.180 7.727 -7.930 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.309 5.379 -8.523 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.629 6.436 -7.896 1.00 0.00 C ATOM 0 H TRP A 49 28.201 8.074 -12.569 1.00 0.00 H new ATOM 0 HA TRP A 49 30.066 5.972 -12.566 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.694 5.952 -10.119 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.175 7.485 -10.819 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.909 9.520 -10.080 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.849 10.020 -8.625 1.00 0.00 H new ATOM 0 HE3 TRP A 49 27.056 4.767 -9.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.704 8.538 -7.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.895 4.382 -8.489 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.691 6.257 -7.392 1.00 0.00 H new ATOM 757 N ALA A 50 26.986 4.918 -12.342 1.00 0.00 N ATOM 758 CA ALA A 50 26.201 3.712 -12.548 1.00 0.00 C ATOM 759 C ALA A 50 26.216 3.364 -14.035 1.00 0.00 C ATOM 760 O ALA A 50 25.233 3.565 -14.752 1.00 0.00 O ATOM 761 CB ALA A 50 24.786 3.867 -11.999 1.00 0.00 C ATOM 0 H ALA A 50 26.437 5.777 -12.369 1.00 0.00 H new ATOM 0 HA ALA A 50 26.645 2.885 -11.993 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.227 2.947 -12.170 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.831 4.071 -10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.288 4.694 -12.505 1.00 0.00 H new ATOM 767 N GLU A 51 27.343 2.825 -14.505 1.00 0.00 N ATOM 768 CA GLU A 51 27.494 2.359 -15.885 1.00 0.00 C ATOM 769 C GLU A 51 26.546 1.189 -16.208 1.00 0.00 C ATOM 770 O GLU A 51 26.436 0.798 -17.371 1.00 0.00 O ATOM 771 CB GLU A 51 28.958 1.977 -16.174 1.00 0.00 C ATOM 772 CG GLU A 51 29.902 3.174 -15.989 1.00 0.00 C ATOM 773 CD GLU A 51 31.308 2.948 -16.568 1.00 0.00 C ATOM 774 OE1 GLU A 51 31.974 1.942 -16.227 1.00 0.00 O ATOM 775 OE2 GLU A 51 31.775 3.810 -17.349 1.00 0.00 O ATOM 0 H GLU A 51 28.180 2.699 -13.936 1.00 0.00 H new ATOM 0 HA GLU A 51 27.216 3.186 -16.539 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.261 1.168 -15.510 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.042 1.601 -17.194 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.460 4.050 -16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 51 29.988 3.396 -14.925 1.00 0.00 H new ATOM 782 N TYR A 52 25.852 0.640 -15.205 1.00 0.00 N ATOM 783 CA TYR A 52 24.844 -0.399 -15.317 1.00 0.00 C ATOM 784 C TYR A 52 23.714 -0.041 -14.350 1.00 0.00 C ATOM 785 O TYR A 52 23.967 0.379 -13.218 1.00 0.00 O ATOM 786 CB TYR A 52 25.423 -1.796 -15.024 1.00 0.00 C ATOM 787 CG TYR A 52 26.554 -1.866 -14.012 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.846 -1.459 -14.394 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.330 -2.351 -12.711 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.910 -1.514 -13.477 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.391 -2.425 -11.789 1.00 0.00 C ATOM 792 CZ TYR A 52 28.688 -2.000 -12.168 1.00 0.00 C ATOM 793 OH TYR A 52 29.726 -2.054 -11.286 1.00 0.00 O ATOM 0 H TYR A 52 25.994 0.933 -14.238 1.00 0.00 H new ATOM 0 HA TYR A 52 24.467 -0.447 -16.339 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.612 -2.434 -14.673 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.779 -2.221 -15.963 1.00 0.00 H new ATOM 0 HD1 TYR A 52 28.021 -1.102 -15.398 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.340 -2.668 -12.418 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.896 -1.185 -13.772 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.216 -2.805 -10.793 1.00 0.00 H new ATOM 0 HH TYR A 52 29.409 -2.410 -10.430 1.00 0.00 H new ATOM 803 N HIS A 53 22.468 -0.223 -14.790 1.00 0.00 N ATOM 804 CA HIS A 53 21.258 0.179 -14.062 1.00 0.00 C ATOM 805 C HIS A 53 21.144 -0.523 -12.705 1.00 0.00 C ATOM 806 O HIS A 53 20.590 0.037 -11.760 1.00 0.00 O ATOM 807 CB HIS A 53 19.998 -0.122 -14.896 1.00 0.00 C ATOM 808 CG HIS A 53 20.156 0.124 -16.375 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.832 1.264 -17.076 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.709 -0.757 -17.266 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.206 1.073 -18.354 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.755 -0.147 -18.519 1.00 0.00 N ATOM 0 H HIS A 53 22.264 -0.666 -15.686 1.00 0.00 H new ATOM 0 HA HIS A 53 21.337 1.252 -13.887 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.715 -1.163 -14.742 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.176 0.490 -14.524 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.389 2.101 -16.696 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.051 -1.755 -17.037 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.083 1.800 -19.143 1.00 0.00 H new ATOM 820 N ALA A 54 21.681 -1.743 -12.593 1.00 0.00 N ATOM 821 CA ALA A 54 21.690 -2.479 -11.337 1.00 0.00 C ATOM 822 C ALA A 54 22.445 -1.714 -10.245 1.00 0.00 C ATOM 823 O ALA A 54 22.077 -1.828 -9.077 1.00 0.00 O ATOM 824 CB ALA A 54 22.285 -3.875 -11.548 1.00 0.00 C ATOM 0 H ALA A 54 22.118 -2.240 -13.369 1.00 0.00 H new ATOM 0 HA ALA A 54 20.660 -2.589 -10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.287 -4.417 -10.602 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.685 -4.420 -12.277 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.307 -3.783 -11.915 1.00 0.00 H new ATOM 830 N ASP A 55 23.461 -0.919 -10.607 1.00 0.00 N ATOM 831 CA ASP A 55 24.233 -0.164 -9.621 1.00 0.00 C ATOM 832 C ASP A 55 23.371 0.909 -8.959 1.00 0.00 C ATOM 833 O ASP A 55 23.355 1.013 -7.732 1.00 0.00 O ATOM 834 CB ASP A 55 25.458 0.496 -10.259 1.00 0.00 C ATOM 835 CG ASP A 55 26.427 0.976 -9.168 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.074 0.124 -8.517 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.563 2.201 -8.976 1.00 0.00 O ATOM 0 H ASP A 55 23.764 -0.785 -11.572 1.00 0.00 H new ATOM 0 HA ASP A 55 24.569 -0.874 -8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.961 -0.212 -10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.147 1.339 -10.876 1.00 0.00 H new ATOM 842 N ILE A 56 22.607 1.669 -9.757 1.00 0.00 N ATOM 843 CA ILE A 56 21.689 2.673 -9.228 1.00 0.00 C ATOM 844 C ILE A 56 20.539 2.000 -8.494 1.00 0.00 C ATOM 845 O ILE A 56 20.196 2.485 -7.423 1.00 0.00 O ATOM 846 CB ILE A 56 21.149 3.693 -10.268 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.118 3.205 -11.737 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.850 5.042 -10.047 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.953 4.300 -12.793 1.00 0.00 C ATOM 0 H ILE A 56 22.611 1.602 -10.775 1.00 0.00 H new ATOM 0 HA ILE A 56 22.286 3.269 -8.537 1.00 0.00 H new ATOM 0 HB ILE A 56 20.082 3.820 -10.084 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.042 2.664 -11.941 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.301 2.492 -11.847 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.480 5.767 -10.771 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.643 5.399 -9.038 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.925 4.918 -10.175 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.944 3.850 -13.786 1.00 0.00 H new ATOM 0 HD12 ILE A 56 20.014 4.828 -12.626 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.783 5.003 -12.721 1.00 0.00 H new ATOM 861 N TYR A 57 19.954 0.907 -8.999 1.00 0.00 N ATOM 862 CA TYR A 57 18.866 0.278 -8.259 1.00 0.00 C ATOM 863 C TYR A 57 19.362 -0.165 -6.878 1.00 0.00 C ATOM 864 O TYR A 57 18.711 0.139 -5.883 1.00 0.00 O ATOM 865 CB TYR A 57 18.245 -0.904 -9.012 1.00 0.00 C ATOM 866 CG TYR A 57 17.195 -1.611 -8.168 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.078 -0.896 -7.688 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.390 -2.948 -7.767 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.168 -1.508 -6.809 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.476 -3.571 -6.901 1.00 0.00 C ATOM 871 CZ TYR A 57 15.361 -2.849 -6.413 1.00 0.00 C ATOM 872 OH TYR A 57 14.478 -3.427 -5.554 1.00 0.00 O ATOM 0 H TYR A 57 20.205 0.459 -9.880 1.00 0.00 H new ATOM 0 HA TYR A 57 18.079 1.023 -8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.791 -0.550 -9.938 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.027 -1.611 -9.290 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.921 0.127 -7.997 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.247 -3.497 -8.128 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.321 -0.952 -6.436 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.624 -4.600 -6.608 1.00 0.00 H new ATOM 0 HH TYR A 57 14.749 -4.353 -5.380 1.00 0.00 H new ATOM 882 N ASP A 58 20.527 -0.816 -6.790 1.00 0.00 N ATOM 883 CA ASP A 58 21.066 -1.274 -5.512 1.00 0.00 C ATOM 884 C ASP A 58 21.349 -0.099 -4.573 1.00 0.00 C ATOM 885 O ASP A 58 20.910 -0.108 -3.423 1.00 0.00 O ATOM 886 CB ASP A 58 22.341 -2.094 -5.724 1.00 0.00 C ATOM 887 CG ASP A 58 22.934 -2.522 -4.371 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.392 -3.454 -3.738 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.959 -1.945 -3.945 1.00 0.00 O ATOM 0 H ASP A 58 21.114 -1.037 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 58 20.311 -1.908 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.118 -2.975 -6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.072 -1.505 -6.279 1.00 0.00 H new ATOM 894 N LYS A 59 22.039 0.937 -5.067 1.00 0.00 N ATOM 895 CA LYS A 59 22.394 2.112 -4.273 1.00 0.00 C ATOM 896 C LYS A 59 21.145 2.843 -3.787 1.00 0.00 C ATOM 897 O LYS A 59 21.029 3.148 -2.600 1.00 0.00 O ATOM 898 CB LYS A 59 23.314 3.007 -5.116 1.00 0.00 C ATOM 899 CG LYS A 59 23.698 4.326 -4.425 1.00 0.00 C ATOM 900 CD LYS A 59 25.127 4.723 -4.812 1.00 0.00 C ATOM 901 CE LYS A 59 25.442 6.158 -4.372 1.00 0.00 C ATOM 902 NZ LYS A 59 26.773 6.606 -4.855 1.00 0.00 N ATOM 0 H LYS A 59 22.366 0.980 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 59 22.931 1.812 -3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.223 2.455 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.820 3.233 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 59 23.002 5.114 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.623 4.215 -3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.836 4.035 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.252 4.635 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.673 6.831 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.411 6.219 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.165 7.305 -4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.414 5.789 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.674 7.038 -5.796 1.00 0.00 H new ATOM 916 N VAL A 60 20.208 3.122 -4.689 1.00 0.00 N ATOM 917 CA VAL A 60 19.037 3.927 -4.385 1.00 0.00 C ATOM 918 C VAL A 60 18.081 3.125 -3.511 1.00 0.00 C ATOM 919 O VAL A 60 17.623 3.661 -2.508 1.00 0.00 O ATOM 920 CB VAL A 60 18.388 4.452 -5.675 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.153 5.303 -5.336 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.378 5.321 -6.469 1.00 0.00 C ATOM 0 H VAL A 60 20.243 2.793 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 60 19.329 4.810 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 60 18.097 3.592 -6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.700 5.670 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.429 4.694 -4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.453 6.148 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.897 5.682 -7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.686 6.171 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.253 4.727 -6.733 1.00 0.00 H new ATOM 932 N SER A 61 17.807 1.854 -3.823 1.00 0.00 N ATOM 933 CA SER A 61 16.963 1.024 -2.974 1.00 0.00 C ATOM 934 C SER A 61 17.600 0.900 -1.586 1.00 0.00 C ATOM 935 O SER A 61 16.876 0.941 -0.594 1.00 0.00 O ATOM 936 CB SER A 61 16.718 -0.334 -3.644 1.00 0.00 C ATOM 937 OG SER A 61 15.669 -1.038 -3.007 1.00 0.00 O ATOM 0 H SER A 61 18.159 1.383 -4.657 1.00 0.00 H new ATOM 0 HA SER A 61 15.986 1.488 -2.841 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.473 -0.185 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.631 -0.929 -3.611 1.00 0.00 H new ATOM 0 HG SER A 61 15.533 -1.899 -3.455 1.00 0.00 H new ATOM 943 N GLY A 62 18.933 0.831 -1.490 1.00 0.00 N ATOM 944 CA GLY A 62 19.648 0.865 -0.224 1.00 0.00 C ATOM 945 C GLY A 62 19.338 2.141 0.561 1.00 0.00 C ATOM 946 O GLY A 62 18.959 2.054 1.729 1.00 0.00 O ATOM 0 H GLY A 62 19.545 0.749 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.375 -0.006 0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.720 0.802 -0.409 1.00 0.00 H new ATOM 950 N ASP A 63 19.447 3.318 -0.064 1.00 0.00 N ATOM 951 CA ASP A 63 19.146 4.590 0.593 1.00 0.00 C ATOM 952 C ASP A 63 17.676 4.665 0.996 1.00 0.00 C ATOM 953 O ASP A 63 17.383 4.983 2.145 1.00 0.00 O ATOM 954 CB ASP A 63 19.490 5.786 -0.303 1.00 0.00 C ATOM 955 CG ASP A 63 19.302 7.102 0.470 1.00 0.00 C ATOM 956 OD1 ASP A 63 18.177 7.649 0.505 1.00 0.00 O ATOM 957 OD2 ASP A 63 20.296 7.583 1.058 1.00 0.00 O ATOM 0 H ASP A 63 19.745 3.414 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 63 19.766 4.637 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.520 5.704 -0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.853 5.782 -1.188 1.00 0.00 H new ATOM 962 N MET A 64 16.745 4.313 0.103 1.00 0.00 N ATOM 963 CA MET A 64 15.325 4.298 0.433 1.00 0.00 C ATOM 964 C MET A 64 15.047 3.368 1.618 1.00 0.00 C ATOM 965 O MET A 64 14.355 3.757 2.556 1.00 0.00 O ATOM 966 CB MET A 64 14.502 3.852 -0.782 1.00 0.00 C ATOM 967 CG MET A 64 14.549 4.761 -2.014 1.00 0.00 C ATOM 968 SD MET A 64 13.901 6.430 -1.760 1.00 0.00 S ATOM 969 CE MET A 64 15.453 7.306 -1.441 1.00 0.00 C ATOM 0 H MET A 64 16.955 4.035 -0.855 1.00 0.00 H new ATOM 0 HA MET A 64 15.033 5.310 0.712 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.842 2.860 -1.078 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.462 3.753 -0.471 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.583 4.837 -2.351 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.985 4.287 -2.818 1.00 0.00 H new ATOM 0 HE1 MET A 64 15.237 8.331 -1.139 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.999 6.800 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 64 16.059 7.315 -2.347 1.00 0.00 H new ATOM 979 N GLN A 65 15.604 2.157 1.631 1.00 0.00 N ATOM 980 CA GLN A 65 15.433 1.213 2.725 1.00 0.00 C ATOM 981 C GLN A 65 16.079 1.729 4.018 1.00 0.00 C ATOM 982 O GLN A 65 15.553 1.473 5.099 1.00 0.00 O ATOM 983 CB GLN A 65 16.036 -0.139 2.322 1.00 0.00 C ATOM 984 CG GLN A 65 15.169 -0.929 1.329 1.00 0.00 C ATOM 985 CD GLN A 65 15.892 -2.188 0.845 1.00 0.00 C ATOM 986 OE1 GLN A 65 16.214 -3.078 1.628 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.169 -2.309 -0.444 1.00 0.00 N ATOM 0 H GLN A 65 16.191 1.805 0.874 1.00 0.00 H new ATOM 0 HA GLN A 65 14.368 1.094 2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.018 0.028 1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.188 -0.741 3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.228 -1.206 1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.921 -0.298 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.902 -1.570 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.650 -3.141 -0.786 1.00 0.00 H new ATOM 996 N LYS A 66 17.181 2.483 3.929 1.00 0.00 N ATOM 997 CA LYS A 66 17.786 3.180 5.062 1.00 0.00 C ATOM 998 C LYS A 66 16.812 4.229 5.602 1.00 0.00 C ATOM 999 O LYS A 66 16.642 4.312 6.818 1.00 0.00 O ATOM 1000 CB LYS A 66 19.163 3.718 4.614 1.00 0.00 C ATOM 1001 CG LYS A 66 19.931 4.662 5.550 1.00 0.00 C ATOM 1002 CD LYS A 66 19.460 6.130 5.578 1.00 0.00 C ATOM 1003 CE LYS A 66 19.476 6.841 4.214 1.00 0.00 C ATOM 1004 NZ LYS A 66 20.848 7.083 3.704 1.00 0.00 N ATOM 0 H LYS A 66 17.683 2.626 3.052 1.00 0.00 H new ATOM 0 HA LYS A 66 17.975 2.519 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.803 2.859 4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.021 4.237 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.870 4.264 6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.983 4.646 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.446 6.164 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.093 6.686 6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.926 6.240 3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.953 7.793 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.799 7.407 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.311 7.811 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.397 6.201 3.752 1.00 0.00 H new ATOM 1018 N GLN A 67 16.130 4.996 4.740 1.00 0.00 N ATOM 1019 CA GLN A 67 15.055 5.887 5.187 1.00 0.00 C ATOM 1020 C GLN A 67 13.950 5.061 5.854 1.00 0.00 C ATOM 1021 O GLN A 67 13.453 5.449 6.910 1.00 0.00 O ATOM 1022 CB GLN A 67 14.529 6.778 4.042 1.00 0.00 C ATOM 1023 CG GLN A 67 15.644 7.658 3.446 1.00 0.00 C ATOM 1024 CD GLN A 67 15.142 8.744 2.492 1.00 0.00 C ATOM 1025 OE1 GLN A 67 14.136 9.404 2.736 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.847 8.984 1.396 1.00 0.00 N ATOM 0 H GLN A 67 16.304 5.016 3.735 1.00 0.00 H new ATOM 0 HA GLN A 67 15.454 6.578 5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.103 6.151 3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.725 7.412 4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.193 8.131 4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.350 7.020 2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.682 8.434 1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.554 9.719 0.752 1.00 0.00 H new ATOM 1035 N GLY A 68 13.628 3.893 5.298 1.00 0.00 N ATOM 1036 CA GLY A 68 12.765 2.862 5.879 1.00 0.00 C ATOM 1037 C GLY A 68 11.897 2.146 4.836 1.00 0.00 C ATOM 1038 O GLY A 68 11.202 1.187 5.169 1.00 0.00 O ATOM 0 H GLY A 68 13.981 3.625 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.383 2.127 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.119 3.318 6.629 1.00 0.00 H new ATOM 1042 N CYS A 69 11.914 2.625 3.590 1.00 0.00 N ATOM 1043 CA CYS A 69 11.020 2.239 2.511 1.00 0.00 C ATOM 1044 C CYS A 69 11.205 0.789 2.047 1.00 0.00 C ATOM 1045 O CYS A 69 12.101 0.067 2.483 1.00 0.00 O ATOM 1046 CB CYS A 69 11.306 3.156 1.314 1.00 0.00 C ATOM 1047 SG CYS A 69 11.323 4.911 1.776 1.00 0.00 S ATOM 0 H CYS A 69 12.591 3.330 3.298 1.00 0.00 H new ATOM 0 HA CYS A 69 10.001 2.330 2.887 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.268 2.889 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.550 2.993 0.546 1.00 0.00 H new ATOM 0 HG CYS A 69 11.572 5.634 0.725 1.00 0.00 H new ATOM 1053 N ASP A 70 10.383 0.412 1.071 1.00 0.00 N ATOM 1054 CA ASP A 70 10.474 -0.807 0.276 1.00 0.00 C ATOM 1055 C ASP A 70 10.320 -0.320 -1.166 1.00 0.00 C ATOM 1056 O ASP A 70 9.609 0.671 -1.391 1.00 0.00 O ATOM 1057 CB ASP A 70 9.387 -1.811 0.670 1.00 0.00 C ATOM 1058 CG ASP A 70 9.442 -3.066 -0.218 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.538 -3.644 -0.388 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.383 -3.496 -0.724 1.00 0.00 O ATOM 0 H ASP A 70 9.586 0.987 0.798 1.00 0.00 H new ATOM 0 HA ASP A 70 11.411 -1.342 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.512 -2.096 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.407 -1.343 0.582 1.00 0.00 H new ATOM 1065 N CYS A 71 11.009 -0.934 -2.129 1.00 0.00 N ATOM 1066 CA CYS A 71 11.116 -0.407 -3.489 1.00 0.00 C ATOM 1067 C CYS A 71 11.227 -1.511 -4.541 1.00 0.00 C ATOM 1068 O CYS A 71 11.463 -2.674 -4.203 1.00 0.00 O ATOM 1069 CB CYS A 71 12.377 0.469 -3.596 1.00 0.00 C ATOM 1070 SG CYS A 71 12.417 1.770 -2.335 1.00 0.00 S ATOM 0 H CYS A 71 11.509 -1.812 -1.987 1.00 0.00 H new ATOM 0 HA CYS A 71 10.207 0.163 -3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.263 -0.159 -3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.418 0.924 -4.586 1.00 0.00 H new ATOM 0 HG CYS A 71 13.193 1.404 -1.358 1.00 0.00 H new ATOM 1076 N GLU A 72 11.107 -1.132 -5.819 1.00 0.00 N ATOM 1077 CA GLU A 72 11.397 -1.993 -6.963 1.00 0.00 C ATOM 1078 C GLU A 72 11.744 -1.119 -8.169 1.00 0.00 C ATOM 1079 O GLU A 72 11.114 -0.083 -8.384 1.00 0.00 O ATOM 1080 CB GLU A 72 10.216 -2.932 -7.289 1.00 0.00 C ATOM 1081 CG GLU A 72 8.840 -2.267 -7.449 1.00 0.00 C ATOM 1082 CD GLU A 72 7.762 -3.313 -7.788 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.611 -3.683 -8.974 1.00 0.00 O ATOM 1084 OE2 GLU A 72 7.050 -3.783 -6.870 1.00 0.00 O ATOM 0 H GLU A 72 10.799 -0.198 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 72 12.246 -2.630 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.447 -3.465 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.145 -3.679 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.573 -1.748 -6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.884 -1.515 -8.237 1.00 0.00 H new ATOM 1091 N CYS A 73 12.750 -1.508 -8.955 1.00 0.00 N ATOM 1092 CA CYS A 73 13.028 -0.892 -10.244 1.00 0.00 C ATOM 1093 C CYS A 73 11.900 -1.329 -11.187 1.00 0.00 C ATOM 1094 O CYS A 73 11.716 -2.524 -11.436 1.00 0.00 O ATOM 1095 CB CYS A 73 14.423 -1.294 -10.767 1.00 0.00 C ATOM 1096 SG CYS A 73 14.787 -3.047 -10.428 1.00 0.00 S ATOM 0 H CYS A 73 13.393 -2.261 -8.711 1.00 0.00 H new ATOM 0 HA CYS A 73 13.053 0.195 -10.168 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.476 -1.112 -11.840 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.182 -0.667 -10.299 1.00 0.00 H new ATOM 0 HG CYS A 73 15.675 -3.477 -11.274 1.00 0.00 H new ATOM 1102 N LEU A 74 11.123 -0.373 -11.698 1.00 0.00 N ATOM 1103 CA LEU A 74 10.082 -0.652 -12.683 1.00 0.00 C ATOM 1104 C LEU A 74 10.708 -0.944 -14.048 1.00 0.00 C ATOM 1105 O LEU A 74 10.118 -1.651 -14.864 1.00 0.00 O ATOM 1106 CB LEU A 74 9.109 0.535 -12.778 1.00 0.00 C ATOM 1107 CG LEU A 74 8.350 0.849 -11.472 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.311 1.937 -11.753 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.654 -0.379 -10.869 1.00 0.00 C ATOM 0 H LEU A 74 11.198 0.611 -11.441 1.00 0.00 H new ATOM 0 HA LEU A 74 9.524 -1.532 -12.364 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.666 1.421 -13.081 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.383 0.331 -13.565 1.00 0.00 H new ATOM 0 HG LEU A 74 9.085 1.185 -10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.768 2.167 -10.836 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.813 2.835 -12.113 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.611 1.585 -12.511 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.138 -0.092 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.932 -0.775 -11.583 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.397 -1.144 -10.643 1.00 0.00 H new ATOM 1121 N GLY A 75 11.905 -0.410 -14.289 1.00 0.00 N ATOM 1122 CA GLY A 75 12.710 -0.616 -15.477 1.00 0.00 C ATOM 1123 C GLY A 75 13.791 0.454 -15.493 1.00 0.00 C ATOM 1124 O GLY A 75 13.983 1.171 -14.504 1.00 0.00 O ATOM 0 H GLY A 75 12.358 0.211 -13.619 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.156 -1.611 -15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.093 -0.550 -16.373 1.00 0.00 H new ATOM 1128 N GLY A 76 14.468 0.610 -16.623 1.00 0.00 N ATOM 1129 CA GLY A 76 15.407 1.700 -16.826 1.00 0.00 C ATOM 1130 C GLY A 76 15.657 1.908 -18.308 1.00 0.00 C ATOM 1131 O GLY A 76 14.938 1.357 -19.148 1.00 0.00 O ATOM 0 H GLY A 76 14.380 -0.016 -17.423 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.013 2.615 -16.384 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.346 1.480 -16.319 1.00 0.00 H new ATOM 1135 N GLY A 77 16.675 2.702 -18.615 1.00 0.00 N ATOM 1136 CA GLY A 77 16.996 3.129 -19.962 1.00 0.00 C ATOM 1137 C GLY A 77 18.216 4.036 -19.917 1.00 0.00 C ATOM 1138 O GLY A 77 19.020 3.975 -18.979 1.00 0.00 O ATOM 0 H GLY A 77 17.314 3.074 -17.912 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.194 2.263 -20.594 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.150 3.658 -20.401 1.00 0.00 H new ATOM 1142 N ARG A 78 18.354 4.899 -20.916 1.00 0.00 N ATOM 1143 CA ARG A 78 19.538 5.705 -21.159 1.00 0.00 C ATOM 1144 C ARG A 78 19.087 7.127 -21.464 1.00 0.00 C ATOM 1145 O ARG A 78 17.956 7.331 -21.915 1.00 0.00 O ATOM 1146 CB ARG A 78 20.298 5.031 -22.308 1.00 0.00 C ATOM 1147 CG ARG A 78 21.727 5.533 -22.538 1.00 0.00 C ATOM 1148 CD ARG A 78 22.395 4.563 -23.515 1.00 0.00 C ATOM 1149 NE ARG A 78 23.763 4.965 -23.875 1.00 0.00 N ATOM 1150 CZ ARG A 78 24.430 4.524 -24.951 1.00 0.00 C ATOM 1151 NH1 ARG A 78 23.871 3.668 -25.805 1.00 0.00 N ATOM 1152 NH2 ARG A 78 25.675 4.940 -25.166 1.00 0.00 N ATOM 0 H ARG A 78 17.617 5.061 -21.602 1.00 0.00 H new ATOM 0 HA ARG A 78 20.211 5.771 -20.304 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.335 3.959 -22.116 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.730 5.171 -23.228 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.719 6.544 -22.945 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.277 5.572 -21.598 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.419 3.568 -23.071 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.792 4.494 -24.420 1.00 0.00 H new ATOM 0 HE ARG A 78 24.239 5.627 -23.262 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.919 3.337 -25.646 1.00 0.00 H new ATOM 0 HH12 ARG A 78 24.394 3.344 -26.618 1.00 0.00 H new ATOM 0 HH21 ARG A 78 26.115 5.590 -24.515 1.00 0.00 H new ATOM 0 HH22 ARG A 78 26.189 4.609 -25.982 1.00 0.00 H new ATOM 1166 N ILE A 79 19.939 8.106 -21.179 1.00 0.00 N ATOM 1167 CA ILE A 79 19.600 9.520 -21.220 1.00 0.00 C ATOM 1168 C ILE A 79 20.755 10.244 -21.913 1.00 0.00 C ATOM 1169 O ILE A 79 21.922 9.912 -21.678 1.00 0.00 O ATOM 1170 CB ILE A 79 19.319 10.046 -19.787 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.063 9.349 -19.206 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.128 11.575 -19.786 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.517 9.921 -17.890 1.00 0.00 C ATOM 0 H ILE A 79 20.907 7.932 -20.907 1.00 0.00 H new ATOM 0 HA ILE A 79 18.685 9.701 -21.785 1.00 0.00 H new ATOM 0 HB ILE A 79 20.180 9.813 -19.161 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.271 9.393 -19.953 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.297 8.296 -19.051 1.00 0.00 H new ATOM 0 HG21 ILE A 79 18.933 11.917 -18.770 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.031 12.055 -20.163 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.285 11.837 -20.425 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.639 9.353 -17.583 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.283 9.852 -17.118 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.241 10.966 -18.034 1.00 0.00 H new ATOM 1185 N SER A 80 20.418 11.241 -22.736 1.00 0.00 N ATOM 1186 CA SER A 80 21.368 11.998 -23.540 1.00 0.00 C ATOM 1187 C SER A 80 20.944 13.463 -23.666 1.00 0.00 C ATOM 1188 O SER A 80 19.756 13.789 -23.590 1.00 0.00 O ATOM 1189 CB SER A 80 21.440 11.396 -24.952 1.00 0.00 C ATOM 1190 OG SER A 80 21.847 10.042 -24.924 1.00 0.00 O ATOM 0 H SER A 80 19.453 11.548 -22.861 1.00 0.00 H new ATOM 0 HA SER A 80 22.338 11.948 -23.046 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.464 11.472 -25.430 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.138 11.973 -25.558 1.00 0.00 H new ATOM 0 HG SER A 80 21.880 9.691 -25.839 1.00 0.00 H new ATOM 1196 N HIS A 81 21.934 14.328 -23.893 1.00 0.00 N ATOM 1197 CA HIS A 81 21.831 15.734 -24.275 1.00 0.00 C ATOM 1198 C HIS A 81 23.228 16.150 -24.753 1.00 0.00 C ATOM 1199 O HIS A 81 24.220 15.547 -24.333 1.00 0.00 O ATOM 1200 CB HIS A 81 21.324 16.634 -23.133 1.00 0.00 C ATOM 1201 CG HIS A 81 22.111 16.662 -21.843 1.00 0.00 C ATOM 1202 ND1 HIS A 81 23.028 15.739 -21.390 1.00 0.00 N ATOM 1203 CD2 HIS A 81 21.988 17.612 -20.864 1.00 0.00 C ATOM 1204 CE1 HIS A 81 23.450 16.130 -20.178 1.00 0.00 C ATOM 1205 NE2 HIS A 81 22.845 17.273 -19.810 1.00 0.00 N ATOM 0 H HIS A 81 22.908 14.037 -23.807 1.00 0.00 H new ATOM 0 HA HIS A 81 21.088 15.856 -25.063 1.00 0.00 H new ATOM 0 HB2 HIS A 81 21.270 17.654 -23.512 1.00 0.00 H new ATOM 0 HB3 HIS A 81 20.305 16.328 -22.895 1.00 0.00 H new ATOM 0 HD1 HIS A 81 23.333 14.904 -21.889 1.00 0.00 H new ATOM 0 HD2 HIS A 81 21.340 18.475 -20.899 1.00 0.00 H new ATOM 0 HE1 HIS A 81 24.176 15.599 -19.580 1.00 0.00 H new ATOM 1213 N GLN A 82 23.326 17.138 -25.644 1.00 0.00 N ATOM 1214 CA GLN A 82 24.581 17.512 -26.299 1.00 0.00 C ATOM 1215 C GLN A 82 24.597 19.021 -26.550 1.00 0.00 C ATOM 1216 O GLN A 82 23.560 19.676 -26.465 1.00 0.00 O ATOM 1217 CB GLN A 82 24.719 16.761 -27.643 1.00 0.00 C ATOM 1218 CG GLN A 82 24.806 15.231 -27.510 1.00 0.00 C ATOM 1219 CD GLN A 82 25.103 14.545 -28.848 1.00 0.00 C ATOM 1220 OE1 GLN A 82 24.539 14.881 -29.887 1.00 0.00 O ATOM 1221 NE2 GLN A 82 25.996 13.568 -28.862 1.00 0.00 N ATOM 0 H GLN A 82 22.530 17.706 -25.934 1.00 0.00 H new ATOM 0 HA GLN A 82 25.416 17.242 -25.653 1.00 0.00 H new ATOM 0 HB2 GLN A 82 23.866 17.011 -28.274 1.00 0.00 H new ATOM 0 HB3 GLN A 82 25.611 17.120 -28.156 1.00 0.00 H new ATOM 0 HG2 GLN A 82 25.586 14.975 -26.792 1.00 0.00 H new ATOM 0 HG3 GLN A 82 23.867 14.850 -27.110 1.00 0.00 H new ATOM 0 HE21 GLN A 82 26.463 13.291 -27.998 1.00 0.00 H new ATOM 0 HE22 GLN A 82 26.218 13.092 -29.737 1.00 0.00 H new ATOM 1230 N SER A 83 25.745 19.572 -26.951 1.00 0.00 N ATOM 1231 CA SER A 83 25.839 20.952 -27.426 1.00 0.00 C ATOM 1232 C SER A 83 24.932 21.189 -28.649 1.00 0.00 C ATOM 1233 O SER A 83 24.432 22.299 -28.841 1.00 0.00 O ATOM 1234 CB SER A 83 27.303 21.272 -27.760 1.00 0.00 C ATOM 1235 OG SER A 83 28.167 20.855 -26.709 1.00 0.00 O ATOM 0 H SER A 83 26.635 19.073 -26.955 1.00 0.00 H new ATOM 0 HA SER A 83 25.493 21.620 -26.637 1.00 0.00 H new ATOM 0 HB2 SER A 83 27.586 20.774 -28.688 1.00 0.00 H new ATOM 0 HB3 SER A 83 27.416 22.343 -27.926 1.00 0.00 H new ATOM 0 HG SER A 83 29.094 21.067 -26.944 1.00 0.00 H new ATOM 1241 N GLN A 84 24.696 20.145 -29.459 1.00 0.00 N ATOM 1242 CA GLN A 84 23.795 20.183 -30.607 1.00 0.00 C ATOM 1243 C GLN A 84 22.347 20.453 -30.166 1.00 0.00 C ATOM 1244 O GLN A 84 21.633 21.195 -30.843 1.00 0.00 O ATOM 1245 CB GLN A 84 23.915 18.849 -31.367 1.00 0.00 C ATOM 1246 CG GLN A 84 23.143 18.838 -32.695 1.00 0.00 C ATOM 1247 CD GLN A 84 23.352 17.522 -33.449 1.00 0.00 C ATOM 1248 OE1 GLN A 84 24.316 17.358 -34.195 1.00 0.00 O ATOM 1249 NE2 GLN A 84 22.467 16.553 -33.276 1.00 0.00 N ATOM 0 H GLN A 84 25.138 19.236 -29.326 1.00 0.00 H new ATOM 0 HA GLN A 84 24.077 21.002 -31.269 1.00 0.00 H new ATOM 0 HB2 GLN A 84 24.967 18.644 -31.564 1.00 0.00 H new ATOM 0 HB3 GLN A 84 23.546 18.043 -30.733 1.00 0.00 H new ATOM 0 HG2 GLN A 84 22.080 18.984 -32.502 1.00 0.00 H new ATOM 0 HG3 GLN A 84 23.471 19.671 -33.316 1.00 0.00 H new ATOM 0 HE21 GLN A 84 21.670 16.695 -32.656 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.582 15.664 -33.763 1.00 0.00 H new ATOM 1258 N ASP A 85 21.913 19.878 -29.039 1.00 0.00 N ATOM 1259 CA ASP A 85 20.589 20.087 -28.461 1.00 0.00 C ATOM 1260 C ASP A 85 20.631 19.722 -26.977 1.00 0.00 C ATOM 1261 O ASP A 85 20.797 18.551 -26.617 1.00 0.00 O ATOM 1262 CB ASP A 85 19.517 19.242 -29.167 1.00 0.00 C ATOM 1263 CG ASP A 85 18.152 19.379 -28.473 1.00 0.00 C ATOM 1264 OD1 ASP A 85 17.913 20.407 -27.798 1.00 0.00 O ATOM 1265 OD2 ASP A 85 17.314 18.461 -28.619 1.00 0.00 O ATOM 0 H ASP A 85 22.491 19.239 -28.493 1.00 0.00 H new ATOM 0 HA ASP A 85 20.322 21.136 -28.591 1.00 0.00 H new ATOM 0 HB2 ASP A 85 19.431 19.555 -30.208 1.00 0.00 H new ATOM 0 HB3 ASP A 85 19.821 18.195 -29.173 1.00 0.00 H new ATOM 1270 N LYS A 86 20.514 20.734 -26.113 1.00 0.00 N ATOM 1271 CA LYS A 86 20.580 20.550 -24.665 1.00 0.00 C ATOM 1272 C LYS A 86 19.279 19.998 -24.073 1.00 0.00 C ATOM 1273 O LYS A 86 19.305 19.532 -22.932 1.00 0.00 O ATOM 1274 CB LYS A 86 21.013 21.859 -23.985 1.00 0.00 C ATOM 1275 CG LYS A 86 19.963 22.980 -24.069 1.00 0.00 C ATOM 1276 CD LYS A 86 20.468 24.252 -23.373 1.00 0.00 C ATOM 1277 CE LYS A 86 19.338 25.261 -23.131 1.00 0.00 C ATOM 1278 NZ LYS A 86 18.408 24.805 -22.071 1.00 0.00 N ATOM 0 H LYS A 86 20.371 21.702 -26.400 1.00 0.00 H new ATOM 0 HA LYS A 86 21.335 19.790 -24.465 1.00 0.00 H new ATOM 0 HB2 LYS A 86 21.232 21.657 -22.936 1.00 0.00 H new ATOM 0 HB3 LYS A 86 21.939 22.206 -24.443 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.738 23.196 -25.113 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.034 22.650 -23.604 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.927 23.986 -22.421 1.00 0.00 H new ATOM 0 HD3 LYS A 86 21.244 24.715 -23.983 1.00 0.00 H new ATOM 0 HE2 LYS A 86 19.765 26.224 -22.850 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.785 25.416 -24.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.843 25.611 -21.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.775 24.074 -22.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 18.952 24.410 -21.278 1.00 0.00 H new ATOM 1292 N LYS A 87 18.154 20.039 -24.806 1.00 0.00 N ATOM 1293 CA LYS A 87 16.908 19.412 -24.364 1.00 0.00 C ATOM 1294 C LYS A 87 17.211 17.935 -24.151 1.00 0.00 C ATOM 1295 O LYS A 87 17.727 17.282 -25.062 1.00 0.00 O ATOM 1296 CB LYS A 87 15.820 19.619 -25.428 1.00 0.00 C ATOM 1297 CG LYS A 87 14.486 18.906 -25.142 1.00 0.00 C ATOM 1298 CD LYS A 87 13.842 18.345 -26.420 1.00 0.00 C ATOM 1299 CE LYS A 87 14.304 16.923 -26.798 1.00 0.00 C ATOM 1300 NZ LYS A 87 15.752 16.780 -27.094 1.00 0.00 N ATOM 0 H LYS A 87 18.087 20.504 -25.712 1.00 0.00 H new ATOM 0 HA LYS A 87 16.538 19.852 -23.438 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.629 20.688 -25.528 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.201 19.272 -26.388 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.654 18.093 -24.435 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.797 19.604 -24.667 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.759 18.340 -26.294 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.063 19.018 -27.249 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.049 16.248 -25.981 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.738 16.596 -27.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.911 15.906 -27.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.074 17.596 -27.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.286 16.738 -26.203 1.00 0.00 H new ATOM 1314 N ILE A 88 16.875 17.412 -22.980 1.00 0.00 N ATOM 1315 CA ILE A 88 17.199 16.043 -22.599 1.00 0.00 C ATOM 1316 C ILE A 88 16.404 15.084 -23.506 1.00 0.00 C ATOM 1317 O ILE A 88 15.390 15.462 -24.099 1.00 0.00 O ATOM 1318 CB ILE A 88 16.977 15.890 -21.067 1.00 0.00 C ATOM 1319 CG1 ILE A 88 17.843 16.924 -20.293 1.00 0.00 C ATOM 1320 CG2 ILE A 88 17.299 14.473 -20.562 1.00 0.00 C ATOM 1321 CD1 ILE A 88 17.612 16.961 -18.776 1.00 0.00 C ATOM 0 H ILE A 88 16.367 17.929 -22.262 1.00 0.00 H new ATOM 0 HA ILE A 88 18.245 15.783 -22.759 1.00 0.00 H new ATOM 0 HB ILE A 88 15.919 16.074 -20.882 1.00 0.00 H new ATOM 0 HG12 ILE A 88 18.895 16.706 -20.480 1.00 0.00 H new ATOM 0 HG13 ILE A 88 17.646 17.916 -20.699 1.00 0.00 H new ATOM 0 HG21 ILE A 88 17.127 14.422 -19.487 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.656 13.752 -21.067 1.00 0.00 H new ATOM 0 HG23 ILE A 88 18.342 14.240 -20.774 1.00 0.00 H new ATOM 0 HD11 ILE A 88 18.262 17.713 -18.327 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.571 17.213 -18.572 1.00 0.00 H new ATOM 0 HD13 ILE A 88 17.839 15.984 -18.349 1.00 0.00 H new ATOM 1333 N HIS A 89 16.838 13.833 -23.616 1.00 0.00 N ATOM 1334 CA HIS A 89 16.086 12.767 -24.257 1.00 0.00 C ATOM 1335 C HIS A 89 16.290 11.486 -23.451 1.00 0.00 C ATOM 1336 O HIS A 89 17.357 11.306 -22.860 1.00 0.00 O ATOM 1337 CB HIS A 89 16.559 12.603 -25.706 1.00 0.00 C ATOM 1338 CG HIS A 89 15.643 11.730 -26.526 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.392 12.078 -26.984 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.899 10.461 -26.972 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.914 11.051 -27.705 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.796 10.035 -27.724 1.00 0.00 N ATOM 0 H HIS A 89 17.741 13.528 -23.254 1.00 0.00 H new ATOM 0 HA HIS A 89 15.022 13.003 -24.283 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.631 13.585 -26.173 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.561 12.174 -25.710 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.794 9.889 -26.778 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.955 11.042 -28.201 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.684 9.136 -28.192 1.00 0.00 H new ATOM 1350 N VAL A 90 15.295 10.599 -23.447 1.00 0.00 N ATOM 1351 CA VAL A 90 15.279 9.357 -22.679 1.00 0.00 C ATOM 1352 C VAL A 90 14.897 8.239 -23.653 1.00 0.00 C ATOM 1353 O VAL A 90 13.974 8.400 -24.450 1.00 0.00 O ATOM 1354 CB VAL A 90 14.273 9.469 -21.509 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.349 8.242 -20.590 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.480 10.733 -20.656 1.00 0.00 C ATOM 0 H VAL A 90 14.448 10.732 -23.999 1.00 0.00 H new ATOM 0 HA VAL A 90 16.252 9.146 -22.235 1.00 0.00 H new ATOM 0 HB VAL A 90 13.290 9.528 -21.976 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.630 8.351 -19.778 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.117 7.344 -21.162 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.354 8.159 -20.176 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.744 10.754 -19.852 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.483 10.724 -20.230 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.359 11.618 -21.281 1.00 0.00 H new ATOM 1366 N TYR A 91 15.613 7.118 -23.647 1.00 0.00 N ATOM 1367 CA TYR A 91 15.441 6.070 -24.647 1.00 0.00 C ATOM 1368 C TYR A 91 15.993 4.744 -24.124 1.00 0.00 C ATOM 1369 O TYR A 91 16.435 4.661 -22.974 1.00 0.00 O ATOM 1370 CB TYR A 91 16.116 6.504 -25.966 1.00 0.00 C ATOM 1371 CG TYR A 91 17.637 6.500 -25.969 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.364 7.401 -25.167 1.00 0.00 C ATOM 1373 CD2 TYR A 91 18.328 5.597 -26.799 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.768 7.391 -25.182 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.732 5.604 -26.847 1.00 0.00 C ATOM 1376 CZ TYR A 91 20.461 6.511 -26.044 1.00 0.00 C ATOM 1377 OH TYR A 91 21.821 6.559 -26.107 1.00 0.00 O ATOM 0 H TYR A 91 16.328 6.911 -22.949 1.00 0.00 H new ATOM 0 HA TYR A 91 14.381 5.917 -24.848 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.769 5.846 -26.762 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.775 7.509 -26.212 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.839 8.103 -24.537 1.00 0.00 H new ATOM 0 HD2 TYR A 91 17.775 4.894 -27.403 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.319 8.057 -24.534 1.00 0.00 H new ATOM 0 HE2 TYR A 91 20.254 4.917 -27.497 1.00 0.00 H new ATOM 0 HH TYR A 91 22.143 5.889 -26.746 1.00 0.00 H new ATOM 1387 N GLY A 92 16.000 3.710 -24.965 1.00 0.00 N ATOM 1388 CA GLY A 92 16.597 2.432 -24.633 1.00 0.00 C ATOM 1389 C GLY A 92 15.778 1.660 -23.603 1.00 0.00 C ATOM 1390 O GLY A 92 14.584 1.905 -23.409 1.00 0.00 O ATOM 0 H GLY A 92 15.588 3.743 -25.898 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.695 1.833 -25.539 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.603 2.593 -24.247 1.00 0.00 H new ATOM 1394 N TYR A 93 16.431 0.686 -22.976 1.00 0.00 N ATOM 1395 CA TYR A 93 15.855 -0.232 -22.008 1.00 0.00 C ATOM 1396 C TYR A 93 16.963 -0.648 -21.043 1.00 0.00 C ATOM 1397 O TYR A 93 18.139 -0.639 -21.421 1.00 0.00 O ATOM 1398 CB TYR A 93 15.270 -1.458 -22.733 1.00 0.00 C ATOM 1399 CG TYR A 93 16.230 -2.210 -23.643 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.397 -1.810 -24.984 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.948 -3.321 -23.156 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.280 -2.504 -25.829 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.835 -4.021 -23.995 1.00 0.00 C ATOM 1404 CZ TYR A 93 18.005 -3.614 -25.340 1.00 0.00 C ATOM 1405 OH TYR A 93 18.856 -4.281 -26.170 1.00 0.00 O ATOM 0 H TYR A 93 17.422 0.510 -23.139 1.00 0.00 H new ATOM 0 HA TYR A 93 15.045 0.245 -21.457 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.890 -2.153 -21.984 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.416 -1.132 -23.327 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.843 -0.965 -25.365 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.816 -3.637 -22.132 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.405 -2.188 -26.854 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.385 -4.868 -23.613 1.00 0.00 H new ATOM 0 HH TYR A 93 19.278 -5.018 -25.682 1.00 0.00 H new ATOM 1415 N SER A 94 16.611 -1.014 -19.808 1.00 0.00 N ATOM 1416 CA SER A 94 17.594 -1.501 -18.860 1.00 0.00 C ATOM 1417 C SER A 94 18.124 -2.848 -19.335 1.00 0.00 C ATOM 1418 O SER A 94 17.348 -3.757 -19.643 1.00 0.00 O ATOM 1419 CB SER A 94 17.032 -1.573 -17.438 1.00 0.00 C ATOM 1420 OG SER A 94 17.910 -2.292 -16.587 1.00 0.00 O ATOM 0 H SER A 94 15.656 -0.980 -19.450 1.00 0.00 H new ATOM 0 HA SER A 94 18.422 -0.794 -18.816 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.884 -0.566 -17.049 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.055 -2.056 -17.452 1.00 0.00 H new ATOM 0 HG SER A 94 17.619 -2.191 -15.657 1.00 0.00 H new ATOM 1426 N MET A 95 19.449 -2.987 -19.303 1.00 0.00 N ATOM 1427 CA MET A 95 20.157 -4.246 -19.507 1.00 0.00 C ATOM 1428 C MET A 95 19.664 -5.343 -18.545 1.00 0.00 C ATOM 1429 O MET A 95 19.753 -6.525 -18.885 1.00 0.00 O ATOM 1430 CB MET A 95 21.661 -3.979 -19.319 1.00 0.00 C ATOM 1431 CG MET A 95 22.547 -5.178 -19.685 1.00 0.00 C ATOM 1432 SD MET A 95 24.336 -4.869 -19.581 1.00 0.00 S ATOM 1433 CE MET A 95 24.550 -4.664 -17.789 1.00 0.00 C ATOM 0 H MET A 95 20.076 -2.202 -19.129 1.00 0.00 H new ATOM 0 HA MET A 95 19.962 -4.614 -20.514 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.949 -3.124 -19.931 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.846 -3.704 -18.281 1.00 0.00 H new ATOM 0 HG2 MET A 95 22.298 -6.010 -19.026 1.00 0.00 H new ATOM 0 HG3 MET A 95 22.306 -5.493 -20.700 1.00 0.00 H new ATOM 0 HE1 MET A 95 25.611 -4.574 -17.557 1.00 0.00 H new ATOM 0 HE2 MET A 95 24.029 -3.764 -17.461 1.00 0.00 H new ATOM 0 HE3 MET A 95 24.138 -5.531 -17.272 1.00 0.00 H new ATOM 1443 N ALA A 96 19.144 -4.973 -17.366 1.00 0.00 N ATOM 1444 CA ALA A 96 18.796 -5.913 -16.304 1.00 0.00 C ATOM 1445 C ALA A 96 17.291 -5.957 -16.016 1.00 0.00 C ATOM 1446 O ALA A 96 16.806 -6.986 -15.543 1.00 0.00 O ATOM 1447 CB ALA A 96 19.562 -5.524 -15.032 1.00 0.00 C ATOM 0 H ALA A 96 18.953 -4.000 -17.126 1.00 0.00 H new ATOM 0 HA ALA A 96 19.077 -6.912 -16.637 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.312 -6.218 -14.230 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.634 -5.565 -15.226 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.285 -4.512 -14.736 1.00 0.00 H new ATOM 1453 N TYR A 97 16.548 -4.884 -16.321 1.00 0.00 N ATOM 1454 CA TYR A 97 15.155 -4.716 -15.892 1.00 0.00 C ATOM 1455 C TYR A 97 14.206 -4.308 -17.030 1.00 0.00 C ATOM 1456 O TYR A 97 13.022 -4.082 -16.775 1.00 0.00 O ATOM 1457 CB TYR A 97 15.103 -3.706 -14.726 1.00 0.00 C ATOM 1458 CG TYR A 97 16.071 -3.978 -13.584 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.090 -5.242 -12.960 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.959 -2.975 -13.144 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.011 -5.518 -11.937 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.878 -3.240 -12.112 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.915 -4.522 -11.510 1.00 0.00 C ATOM 1464 OH TYR A 97 18.803 -4.814 -10.517 1.00 0.00 O ATOM 0 H TYR A 97 16.900 -4.104 -16.876 1.00 0.00 H new ATOM 0 HA TYR A 97 14.795 -5.689 -15.557 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.304 -2.710 -15.121 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.089 -3.691 -14.325 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.391 -6.004 -13.271 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.934 -1.997 -13.602 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.028 -6.494 -11.476 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.555 -2.467 -11.779 1.00 0.00 H new ATOM 0 HH TYR A 97 19.705 -4.553 -10.797 1.00 0.00 H new ATOM 1474 N GLY A 98 14.685 -4.233 -18.278 1.00 0.00 N ATOM 1475 CA GLY A 98 13.854 -3.882 -19.426 1.00 0.00 C ATOM 1476 C GLY A 98 13.454 -2.401 -19.432 1.00 0.00 C ATOM 1477 O GLY A 98 13.949 -1.615 -18.614 1.00 0.00 O ATOM 0 H GLY A 98 15.660 -4.415 -18.516 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.393 -4.113 -20.345 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.955 -4.498 -19.421 1.00 0.00 H new ATOM 1481 N PRO A 99 12.617 -1.973 -20.391 1.00 0.00 N ATOM 1482 CA PRO A 99 12.224 -0.578 -20.518 1.00 0.00 C ATOM 1483 C PRO A 99 11.321 -0.172 -19.352 1.00 0.00 C ATOM 1484 O PRO A 99 10.364 -0.873 -19.009 1.00 0.00 O ATOM 1485 CB PRO A 99 11.515 -0.468 -21.870 1.00 0.00 C ATOM 1486 CG PRO A 99 10.967 -1.876 -22.110 1.00 0.00 C ATOM 1487 CD PRO A 99 11.988 -2.785 -21.425 1.00 0.00 C ATOM 0 HA PRO A 99 13.077 0.099 -20.481 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.716 0.273 -21.844 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.203 -0.167 -22.659 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.972 -1.997 -21.681 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.884 -2.097 -23.174 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.503 -3.660 -20.993 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.727 -3.149 -22.139 1.00 0.00 H new ATOM 1495 N ALA A 100 11.625 0.977 -18.750 1.00 0.00 N ATOM 1496 CA ALA A 100 10.758 1.621 -17.777 1.00 0.00 C ATOM 1497 C ALA A 100 9.528 2.227 -18.459 1.00 0.00 C ATOM 1498 O ALA A 100 9.443 2.300 -19.689 1.00 0.00 O ATOM 1499 CB ALA A 100 11.539 2.764 -17.130 1.00 0.00 C ATOM 0 H ALA A 100 12.489 1.488 -18.929 1.00 0.00 H new ATOM 0 HA ALA A 100 10.436 0.880 -17.046 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.909 3.264 -16.394 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.426 2.366 -16.637 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.840 3.479 -17.896 1.00 0.00 H new ATOM 1505 N GLN A 101 8.598 2.728 -17.641 1.00 0.00 N ATOM 1506 CA GLN A 101 7.489 3.559 -18.091 1.00 0.00 C ATOM 1507 C GLN A 101 8.087 4.947 -18.339 1.00 0.00 C ATOM 1508 O GLN A 101 7.906 5.856 -17.531 1.00 0.00 O ATOM 1509 CB GLN A 101 6.364 3.599 -17.036 1.00 0.00 C ATOM 1510 CG GLN A 101 5.528 2.316 -17.034 1.00 0.00 C ATOM 1511 CD GLN A 101 4.479 2.336 -15.921 1.00 0.00 C ATOM 1512 OE1 GLN A 101 4.672 1.763 -14.851 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.351 2.994 -16.136 1.00 0.00 N ATOM 0 H GLN A 101 8.599 2.563 -16.634 1.00 0.00 H new ATOM 0 HA GLN A 101 7.028 3.164 -18.997 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.800 3.748 -16.048 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.715 4.453 -17.231 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.035 2.200 -17.999 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.182 1.454 -16.904 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.198 3.467 -17.027 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.634 3.028 -15.411 1.00 0.00 H new ATOM 1522 N HIS A 102 8.860 5.109 -19.416 1.00 0.00 N ATOM 1523 CA HIS A 102 9.600 6.336 -19.710 1.00 0.00 C ATOM 1524 C HIS A 102 8.708 7.577 -19.804 1.00 0.00 C ATOM 1525 O HIS A 102 9.218 8.684 -19.646 1.00 0.00 O ATOM 1526 CB HIS A 102 10.414 6.159 -20.994 1.00 0.00 C ATOM 1527 CG HIS A 102 11.528 5.161 -20.834 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.645 3.928 -21.435 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.587 5.298 -19.985 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.751 3.340 -20.949 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.351 4.132 -20.044 1.00 0.00 N ATOM 0 H HIS A 102 8.990 4.380 -20.118 1.00 0.00 H new ATOM 0 HA HIS A 102 10.270 6.509 -18.868 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.753 5.836 -21.798 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.832 7.121 -21.292 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.007 3.532 -22.125 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.798 6.162 -19.372 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.109 2.365 -21.245 1.00 0.00 H new ATOM 1539 N ALA A 103 7.396 7.404 -20.006 1.00 0.00 N ATOM 1540 CA ALA A 103 6.419 8.477 -19.896 1.00 0.00 C ATOM 1541 C ALA A 103 6.530 9.187 -18.535 1.00 0.00 C ATOM 1542 O ALA A 103 6.460 10.415 -18.479 1.00 0.00 O ATOM 1543 CB ALA A 103 5.017 7.890 -20.098 1.00 0.00 C ATOM 0 H ALA A 103 6.986 6.503 -20.253 1.00 0.00 H new ATOM 0 HA ALA A 103 6.613 9.225 -20.665 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.275 8.684 -20.018 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.953 7.432 -21.085 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.825 7.136 -19.335 1.00 0.00 H new ATOM 1549 N ILE A 104 6.743 8.431 -17.450 1.00 0.00 N ATOM 1550 CA ILE A 104 6.979 8.970 -16.112 1.00 0.00 C ATOM 1551 C ILE A 104 8.241 9.817 -16.149 1.00 0.00 C ATOM 1552 O ILE A 104 8.221 10.956 -15.698 1.00 0.00 O ATOM 1553 CB ILE A 104 7.129 7.837 -15.064 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.905 6.897 -15.012 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.421 8.408 -13.662 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.664 7.549 -14.402 1.00 0.00 C ATOM 0 H ILE A 104 6.756 7.412 -17.482 1.00 0.00 H new ATOM 0 HA ILE A 104 6.123 9.577 -15.817 1.00 0.00 H new ATOM 0 HB ILE A 104 7.980 7.238 -15.389 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.671 6.562 -16.022 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.162 6.010 -14.433 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.521 7.589 -12.949 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.348 8.981 -13.688 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.601 9.058 -13.356 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.842 6.833 -14.397 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.881 7.860 -13.380 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.382 8.420 -14.994 1.00 0.00 H new ATOM 1568 N SER A 105 9.330 9.278 -16.688 1.00 0.00 N ATOM 1569 CA SER A 105 10.619 9.939 -16.722 1.00 0.00 C ATOM 1570 C SER A 105 10.511 11.303 -17.403 1.00 0.00 C ATOM 1571 O SER A 105 10.938 12.302 -16.824 1.00 0.00 O ATOM 1572 CB SER A 105 11.613 9.000 -17.405 1.00 0.00 C ATOM 1573 OG SER A 105 11.511 7.728 -16.780 1.00 0.00 O ATOM 0 H SER A 105 9.336 8.354 -17.119 1.00 0.00 H new ATOM 0 HA SER A 105 10.979 10.146 -15.714 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.394 8.921 -18.470 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.628 9.388 -17.317 1.00 0.00 H new ATOM 0 HG SER A 105 12.080 7.709 -15.982 1.00 0.00 H new ATOM 1579 N THR A 106 9.871 11.373 -18.572 1.00 0.00 N ATOM 1580 CA THR A 106 9.581 12.645 -19.228 1.00 0.00 C ATOM 1581 C THR A 106 8.721 13.562 -18.352 1.00 0.00 C ATOM 1582 O THR A 106 9.074 14.730 -18.198 1.00 0.00 O ATOM 1583 CB THR A 106 8.950 12.438 -20.617 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.102 11.310 -20.684 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.037 12.246 -21.674 1.00 0.00 C ATOM 0 H THR A 106 9.542 10.555 -19.085 1.00 0.00 H new ATOM 0 HA THR A 106 10.537 13.148 -19.375 1.00 0.00 H new ATOM 0 HB THR A 106 8.359 13.335 -20.802 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.645 11.193 -19.825 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.574 12.101 -22.650 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.676 13.129 -21.703 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.637 11.371 -21.424 1.00 0.00 H new ATOM 1593 N GLU A 107 7.632 13.069 -17.752 1.00 0.00 N ATOM 1594 CA GLU A 107 6.739 13.893 -16.939 1.00 0.00 C ATOM 1595 C GLU A 107 7.498 14.505 -15.757 1.00 0.00 C ATOM 1596 O GLU A 107 7.406 15.710 -15.511 1.00 0.00 O ATOM 1597 CB GLU A 107 5.528 13.059 -16.460 1.00 0.00 C ATOM 1598 CG GLU A 107 4.447 12.909 -17.541 1.00 0.00 C ATOM 1599 CD GLU A 107 3.701 14.228 -17.815 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.780 14.585 -17.045 1.00 0.00 O ATOM 1601 OE2 GLU A 107 4.010 14.913 -18.817 1.00 0.00 O ATOM 0 H GLU A 107 7.348 12.091 -17.817 1.00 0.00 H new ATOM 0 HA GLU A 107 6.363 14.713 -17.551 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.871 12.070 -16.155 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.092 13.531 -15.579 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.907 12.557 -18.464 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.731 12.148 -17.231 1.00 0.00 H new ATOM 1608 N LYS A 108 8.289 13.697 -15.050 1.00 0.00 N ATOM 1609 CA LYS A 108 9.040 14.128 -13.879 1.00 0.00 C ATOM 1610 C LYS A 108 10.148 15.100 -14.267 1.00 0.00 C ATOM 1611 O LYS A 108 10.288 16.145 -13.632 1.00 0.00 O ATOM 1612 CB LYS A 108 9.636 12.899 -13.178 1.00 0.00 C ATOM 1613 CG LYS A 108 8.614 11.939 -12.554 1.00 0.00 C ATOM 1614 CD LYS A 108 7.708 12.610 -11.510 1.00 0.00 C ATOM 1615 CE LYS A 108 7.246 11.602 -10.451 1.00 0.00 C ATOM 1616 NZ LYS A 108 8.377 11.186 -9.587 1.00 0.00 N ATOM 0 H LYS A 108 8.425 12.713 -15.281 1.00 0.00 H new ATOM 0 HA LYS A 108 8.363 14.646 -13.199 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.236 12.345 -13.900 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.314 13.241 -12.396 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.994 11.516 -13.344 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.144 11.110 -12.086 1.00 0.00 H new ATOM 0 HD2 LYS A 108 8.246 13.427 -11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.840 13.047 -12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.460 12.045 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.815 10.728 -10.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.347 10.156 -9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.275 11.448 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.303 11.662 -8.665 1.00 0.00 H new ATOM 1630 N ILE A 109 10.933 14.783 -15.298 1.00 0.00 N ATOM 1631 CA ILE A 109 12.031 15.638 -15.732 1.00 0.00 C ATOM 1632 C ILE A 109 11.453 16.957 -16.272 1.00 0.00 C ATOM 1633 O ILE A 109 12.020 18.002 -15.967 1.00 0.00 O ATOM 1634 CB ILE A 109 12.959 14.862 -16.703 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.742 13.757 -15.948 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.964 15.764 -17.448 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.409 12.734 -16.882 1.00 0.00 C ATOM 0 H ILE A 109 10.824 13.932 -15.850 1.00 0.00 H new ATOM 0 HA ILE A 109 12.680 15.918 -14.902 1.00 0.00 H new ATOM 0 HB ILE A 109 12.298 14.421 -17.449 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.507 14.224 -15.327 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.061 13.234 -15.276 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.580 15.154 -18.109 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.422 16.504 -18.037 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.602 16.273 -16.725 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.939 11.990 -16.287 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.647 12.241 -17.485 1.00 0.00 H new ATOM 0 HD13 ILE A 109 15.115 13.245 -17.537 1.00 0.00 H new ATOM 1649 N LYS A 110 10.310 16.983 -16.977 1.00 0.00 N ATOM 1650 CA LYS A 110 9.678 18.258 -17.341 1.00 0.00 C ATOM 1651 C LYS A 110 9.251 19.028 -16.093 1.00 0.00 C ATOM 1652 O LYS A 110 9.512 20.227 -16.014 1.00 0.00 O ATOM 1653 CB LYS A 110 8.466 18.082 -18.277 1.00 0.00 C ATOM 1654 CG LYS A 110 8.878 17.814 -19.735 1.00 0.00 C ATOM 1655 CD LYS A 110 7.774 18.074 -20.772 1.00 0.00 C ATOM 1656 CE LYS A 110 7.324 19.546 -20.780 1.00 0.00 C ATOM 1657 NZ LYS A 110 6.555 19.906 -21.995 1.00 0.00 N ATOM 0 H LYS A 110 9.814 16.152 -17.300 1.00 0.00 H new ATOM 0 HA LYS A 110 10.433 18.826 -17.885 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.852 17.255 -17.919 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.848 18.979 -18.237 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.738 18.438 -19.976 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.202 16.777 -19.822 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.136 17.800 -21.763 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.918 17.434 -20.558 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.713 19.739 -19.898 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.201 20.189 -20.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.899 20.682 -21.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.210 20.210 -22.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.016 19.079 -22.322 1.00 0.00 H new ATOM 1671 N ALA A 111 8.620 18.364 -15.120 1.00 0.00 N ATOM 1672 CA ALA A 111 8.129 19.022 -13.914 1.00 0.00 C ATOM 1673 C ALA A 111 9.267 19.674 -13.118 1.00 0.00 C ATOM 1674 O ALA A 111 9.089 20.772 -12.591 1.00 0.00 O ATOM 1675 CB ALA A 111 7.361 18.019 -13.044 1.00 0.00 C ATOM 0 H ALA A 111 8.438 17.361 -15.149 1.00 0.00 H new ATOM 0 HA ALA A 111 7.451 19.820 -14.218 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.998 18.519 -12.146 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.515 17.623 -13.606 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.023 17.201 -12.761 1.00 0.00 H new ATOM 1681 N LYS A 112 10.432 19.017 -13.026 1.00 0.00 N ATOM 1682 CA LYS A 112 11.577 19.522 -12.257 1.00 0.00 C ATOM 1683 C LYS A 112 12.505 20.401 -13.106 1.00 0.00 C ATOM 1684 O LYS A 112 13.308 21.140 -12.536 1.00 0.00 O ATOM 1685 CB LYS A 112 12.334 18.353 -11.593 1.00 0.00 C ATOM 1686 CG LYS A 112 11.744 17.966 -10.223 1.00 0.00 C ATOM 1687 CD LYS A 112 10.356 17.302 -10.270 1.00 0.00 C ATOM 1688 CE LYS A 112 9.806 17.148 -8.847 1.00 0.00 C ATOM 1689 NZ LYS A 112 8.579 16.317 -8.806 1.00 0.00 N ATOM 0 H LYS A 112 10.606 18.122 -13.482 1.00 0.00 H new ATOM 0 HA LYS A 112 11.191 20.167 -11.468 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.308 17.486 -12.254 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.382 18.627 -11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.437 17.287 -9.726 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.679 18.863 -9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.674 17.905 -10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.426 16.326 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.569 16.698 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.589 18.133 -8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.033 16.545 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.000 16.511 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.842 15.311 -8.791 1.00 0.00 H new ATOM 1703 N TYR A 113 12.397 20.323 -14.435 1.00 0.00 N ATOM 1704 CA TYR A 113 13.231 20.986 -15.432 1.00 0.00 C ATOM 1705 C TYR A 113 14.729 21.040 -15.065 1.00 0.00 C ATOM 1706 O TYR A 113 15.279 22.129 -14.892 1.00 0.00 O ATOM 1707 CB TYR A 113 12.606 22.325 -15.884 1.00 0.00 C ATOM 1708 CG TYR A 113 12.199 23.303 -14.793 1.00 0.00 C ATOM 1709 CD1 TYR A 113 10.926 23.199 -14.198 1.00 0.00 C ATOM 1710 CD2 TYR A 113 13.071 24.334 -14.390 1.00 0.00 C ATOM 1711 CE1 TYR A 113 10.534 24.096 -13.188 1.00 0.00 C ATOM 1712 CE2 TYR A 113 12.687 25.237 -13.383 1.00 0.00 C ATOM 1713 CZ TYR A 113 11.416 25.120 -12.773 1.00 0.00 C ATOM 1714 OH TYR A 113 11.055 26.000 -11.797 1.00 0.00 O ATOM 0 H TYR A 113 11.671 19.753 -14.870 1.00 0.00 H new ATOM 0 HA TYR A 113 13.239 20.354 -16.320 1.00 0.00 H new ATOM 0 HB2 TYR A 113 13.318 22.827 -16.539 1.00 0.00 H new ATOM 0 HB3 TYR A 113 11.724 22.101 -16.484 1.00 0.00 H new ATOM 0 HD1 TYR A 113 10.246 22.424 -14.520 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.040 24.431 -14.857 1.00 0.00 H new ATOM 0 HE1 TYR A 113 9.560 24.003 -12.730 1.00 0.00 H new ATOM 0 HE2 TYR A 113 13.363 26.021 -13.075 1.00 0.00 H new ATOM 0 HH TYR A 113 11.786 26.634 -11.641 1.00 0.00 H new ATOM 1724 N PRO A 114 15.424 19.881 -14.970 1.00 0.00 N ATOM 1725 CA PRO A 114 16.883 19.826 -14.847 1.00 0.00 C ATOM 1726 C PRO A 114 17.634 20.643 -15.914 1.00 0.00 C ATOM 1727 O PRO A 114 18.760 21.076 -15.666 1.00 0.00 O ATOM 1728 CB PRO A 114 17.254 18.341 -14.934 1.00 0.00 C ATOM 1729 CG PRO A 114 16.003 17.637 -14.424 1.00 0.00 C ATOM 1730 CD PRO A 114 14.890 18.526 -14.970 1.00 0.00 C ATOM 0 HA PRO A 114 17.184 20.279 -13.903 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.494 18.045 -15.955 1.00 0.00 H new ATOM 0 HB3 PRO A 114 18.125 18.107 -14.322 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.929 16.616 -14.798 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.982 17.580 -13.336 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.603 18.219 -15.976 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.996 18.458 -14.349 1.00 0.00 H new ATOM 1738 N ASP A 115 17.013 20.877 -17.077 1.00 0.00 N ATOM 1739 CA ASP A 115 17.500 21.812 -18.093 1.00 0.00 C ATOM 1740 C ASP A 115 16.364 22.752 -18.504 1.00 0.00 C ATOM 1741 O ASP A 115 16.406 23.933 -18.158 1.00 0.00 O ATOM 1742 CB ASP A 115 18.083 21.089 -19.314 1.00 0.00 C ATOM 1743 CG ASP A 115 18.393 22.123 -20.406 1.00 0.00 C ATOM 1744 OD1 ASP A 115 19.335 22.928 -20.225 1.00 0.00 O ATOM 1745 OD2 ASP A 115 17.643 22.202 -21.403 1.00 0.00 O ATOM 0 H ASP A 115 16.144 20.413 -17.340 1.00 0.00 H new ATOM 0 HA ASP A 115 18.314 22.393 -17.659 1.00 0.00 H new ATOM 0 HB2 ASP A 115 18.990 20.552 -19.036 1.00 0.00 H new ATOM 0 HB3 ASP A 115 17.375 20.349 -19.687 1.00 0.00 H new ATOM 1750 N TYR A 116 15.333 22.232 -19.184 1.00 0.00 N ATOM 1751 CA TYR A 116 14.162 23.001 -19.605 1.00 0.00 C ATOM 1752 C TYR A 116 13.034 22.053 -20.017 1.00 0.00 C ATOM 1753 O TYR A 116 11.912 22.177 -19.526 1.00 0.00 O ATOM 1754 CB TYR A 116 14.528 23.915 -20.789 1.00 0.00 C ATOM 1755 CG TYR A 116 13.361 24.716 -21.338 1.00 0.00 C ATOM 1756 CD1 TYR A 116 12.838 25.795 -20.597 1.00 0.00 C ATOM 1757 CD2 TYR A 116 12.788 24.378 -22.580 1.00 0.00 C ATOM 1758 CE1 TYR A 116 11.746 26.532 -21.090 1.00 0.00 C ATOM 1759 CE2 TYR A 116 11.695 25.109 -23.078 1.00 0.00 C ATOM 1760 CZ TYR A 116 11.167 26.189 -22.336 1.00 0.00 C ATOM 1761 OH TYR A 116 10.108 26.891 -22.829 1.00 0.00 O ATOM 0 H TYR A 116 15.292 21.251 -19.459 1.00 0.00 H new ATOM 0 HA TYR A 116 13.827 23.615 -18.769 1.00 0.00 H new ATOM 0 HB2 TYR A 116 15.311 24.604 -20.473 1.00 0.00 H new ATOM 0 HB3 TYR A 116 14.945 23.304 -21.590 1.00 0.00 H new ATOM 0 HD1 TYR A 116 13.278 26.057 -19.646 1.00 0.00 H new ATOM 0 HD2 TYR A 116 13.190 23.554 -23.152 1.00 0.00 H new ATOM 0 HE1 TYR A 116 11.350 27.359 -20.519 1.00 0.00 H new ATOM 0 HE2 TYR A 116 11.258 24.844 -24.030 1.00 0.00 H new ATOM 0 HH TYR A 116 9.842 26.517 -23.695 1.00 0.00 H new ATOM 1771 N GLU A 117 13.333 21.086 -20.889 1.00 0.00 N ATOM 1772 CA GLU A 117 12.365 20.150 -21.449 1.00 0.00 C ATOM 1773 C GLU A 117 13.102 18.854 -21.817 1.00 0.00 C ATOM 1774 O GLU A 117 14.338 18.803 -21.830 1.00 0.00 O ATOM 1775 CB GLU A 117 11.655 20.824 -22.646 1.00 0.00 C ATOM 1776 CG GLU A 117 10.603 19.941 -23.338 1.00 0.00 C ATOM 1777 CD GLU A 117 9.615 20.740 -24.205 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.034 21.395 -25.186 1.00 0.00 O ATOM 1779 OE2 GLU A 117 8.396 20.678 -23.922 1.00 0.00 O ATOM 0 H GLU A 117 14.281 20.932 -21.231 1.00 0.00 H new ATOM 0 HA GLU A 117 11.587 19.884 -20.733 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.173 21.738 -22.300 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.405 21.117 -23.380 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.110 19.205 -23.962 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.047 19.389 -22.581 1.00 0.00 H new ATOM 1786 N VAL A 118 12.336 17.802 -22.101 1.00 0.00 N ATOM 1787 CA VAL A 118 12.809 16.460 -22.392 1.00 0.00 C ATOM 1788 C VAL A 118 11.791 15.788 -23.327 1.00 0.00 C ATOM 1789 O VAL A 118 10.621 16.182 -23.343 1.00 0.00 O ATOM 1790 CB VAL A 118 13.001 15.717 -21.049 1.00 0.00 C ATOM 1791 CG1 VAL A 118 11.718 15.691 -20.209 1.00 0.00 C ATOM 1792 CG2 VAL A 118 13.545 14.292 -21.194 1.00 0.00 C ATOM 0 H VAL A 118 11.319 17.872 -22.135 1.00 0.00 H new ATOM 0 HA VAL A 118 13.771 16.453 -22.904 1.00 0.00 H new ATOM 0 HB VAL A 118 13.760 16.302 -20.529 1.00 0.00 H new ATOM 0 HG11 VAL A 118 11.904 15.158 -19.276 1.00 0.00 H new ATOM 0 HG12 VAL A 118 11.407 16.712 -19.988 1.00 0.00 H new ATOM 0 HG13 VAL A 118 10.929 15.184 -20.765 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.651 13.841 -20.207 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.854 13.698 -21.793 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.518 14.322 -21.685 1.00 0.00 H new ATOM 1802 N THR A 119 12.211 14.759 -24.064 1.00 0.00 N ATOM 1803 CA THR A 119 11.335 13.876 -24.836 1.00 0.00 C ATOM 1804 C THR A 119 11.779 12.425 -24.609 1.00 0.00 C ATOM 1805 O THR A 119 12.791 12.182 -23.943 1.00 0.00 O ATOM 1806 CB THR A 119 11.347 14.263 -26.328 1.00 0.00 C ATOM 1807 OG1 THR A 119 12.670 14.403 -26.813 1.00 0.00 O ATOM 1808 CG2 THR A 119 10.594 15.566 -26.583 1.00 0.00 C ATOM 0 H THR A 119 13.197 14.510 -24.143 1.00 0.00 H new ATOM 0 HA THR A 119 10.304 13.981 -24.499 1.00 0.00 H new ATOM 0 HB THR A 119 10.846 13.452 -26.858 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.110 13.527 -26.820 1.00 0.00 H new ATOM 0 HG21 THR A 119 10.626 15.803 -27.646 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.557 15.454 -26.268 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.061 16.373 -26.017 1.00 0.00 H new ATOM 1816 N TRP A 120 11.051 11.453 -25.166 1.00 0.00 N ATOM 1817 CA TRP A 120 11.499 10.066 -25.177 1.00 0.00 C ATOM 1818 C TRP A 120 11.198 9.399 -26.511 1.00 0.00 C ATOM 1819 O TRP A 120 10.417 9.923 -27.312 1.00 0.00 O ATOM 1820 CB TRP A 120 10.908 9.256 -24.006 1.00 0.00 C ATOM 1821 CG TRP A 120 9.491 8.780 -24.121 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.381 9.548 -24.096 1.00 0.00 C ATOM 1823 CD2 TRP A 120 9.012 7.403 -24.238 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.256 8.750 -24.139 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.585 7.414 -24.203 1.00 0.00 C ATOM 1826 CE3 TRP A 120 9.641 6.144 -24.346 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.824 6.234 -24.234 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 8.889 4.954 -24.359 1.00 0.00 C ATOM 1829 CH2 TRP A 120 7.484 4.996 -24.302 1.00 0.00 C ATOM 0 H TRP A 120 10.148 11.606 -25.615 1.00 0.00 H new ATOM 0 HA TRP A 120 12.581 10.081 -25.044 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.542 8.383 -23.851 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.983 9.867 -23.107 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.374 10.627 -24.049 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.300 9.105 -24.125 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.717 6.093 -24.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.745 6.278 -24.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 9.395 4.001 -24.413 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.914 4.079 -24.311 1.00 0.00 H new ATOM 1840 N ALA A 121 11.804 8.233 -26.728 1.00 0.00 N ATOM 1841 CA ALA A 121 11.497 7.339 -27.829 1.00 0.00 C ATOM 1842 C ALA A 121 11.648 5.903 -27.331 1.00 0.00 C ATOM 1843 O ALA A 121 12.544 5.602 -26.538 1.00 0.00 O ATOM 1844 CB ALA A 121 12.435 7.604 -29.012 1.00 0.00 C ATOM 0 H ALA A 121 12.543 7.879 -26.121 1.00 0.00 H new ATOM 0 HA ALA A 121 10.477 7.506 -28.175 1.00 0.00 H new ATOM 0 HB1 ALA A 121 12.191 6.925 -29.829 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.315 8.634 -29.348 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.467 7.442 -28.701 1.00 0.00 H new ATOM 1850 N ASN A 122 10.776 5.015 -27.805 1.00 0.00 N ATOM 1851 CA ASN A 122 10.693 3.625 -27.362 1.00 0.00 C ATOM 1852 C ASN A 122 11.600 2.735 -28.223 1.00 0.00 C ATOM 1853 O ASN A 122 11.161 1.723 -28.775 1.00 0.00 O ATOM 1854 CB ASN A 122 9.223 3.176 -27.382 1.00 0.00 C ATOM 1855 CG ASN A 122 9.035 1.797 -26.747 1.00 0.00 C ATOM 1856 OD1 ASN A 122 9.733 1.421 -25.808 1.00 0.00 O ATOM 1857 ND2 ASN A 122 8.079 1.016 -27.226 1.00 0.00 N ATOM 0 H ASN A 122 10.092 5.248 -28.525 1.00 0.00 H new ATOM 0 HA ASN A 122 11.053 3.532 -26.338 1.00 0.00 H new ATOM 0 HB2 ASN A 122 8.614 3.906 -26.849 1.00 0.00 H new ATOM 0 HB3 ASN A 122 8.865 3.153 -28.411 1.00 0.00 H new ATOM 0 HD21 ASN A 122 7.918 0.096 -26.815 1.00 0.00 H new ATOM 0 HD22 ASN A 122 7.503 1.334 -28.006 1.00 0.00 H new ATOM 1864 N ASP A 123 12.848 3.159 -28.427 1.00 0.00 N ATOM 1865 CA ASP A 123 13.811 2.509 -29.320 1.00 0.00 C ATOM 1866 C ASP A 123 15.233 2.760 -28.803 1.00 0.00 C ATOM 1867 O ASP A 123 15.425 3.436 -27.788 1.00 0.00 O ATOM 1868 CB ASP A 123 13.650 3.059 -30.751 1.00 0.00 C ATOM 1869 CG ASP A 123 14.222 2.160 -31.866 1.00 0.00 C ATOM 1870 OD1 ASP A 123 14.739 1.055 -31.588 1.00 0.00 O ATOM 1871 OD2 ASP A 123 14.162 2.570 -33.047 1.00 0.00 O ATOM 0 H ASP A 123 13.228 3.985 -27.964 1.00 0.00 H new ATOM 0 HA ASP A 123 13.627 1.435 -29.340 1.00 0.00 H new ATOM 0 HB2 ASP A 123 12.589 3.221 -30.944 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.136 4.033 -30.806 1.00 0.00 H new ATOM 1876 N GLY A 124 16.227 2.240 -29.518 1.00 0.00 N ATOM 1877 CA GLY A 124 17.636 2.298 -29.155 1.00 0.00 C ATOM 1878 C GLY A 124 17.951 1.398 -27.956 1.00 0.00 C ATOM 1879 O GLY A 124 17.178 0.496 -27.617 1.00 0.00 O ATOM 0 H GLY A 124 16.065 1.749 -30.398 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.244 1.994 -30.007 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.909 3.327 -28.919 1.00 0.00 H new ATOM 1883 N TYR A 125 19.107 1.630 -27.331 1.00 0.00 N ATOM 1884 CA TYR A 125 19.615 0.902 -26.176 1.00 0.00 C ATOM 1885 C TYR A 125 20.486 1.874 -25.384 1.00 0.00 C ATOM 1886 O TYR A 125 21.355 2.530 -26.003 1.00 0.00 O ATOM 1887 CB TYR A 125 20.421 -0.322 -26.636 1.00 0.00 C ATOM 1888 CG TYR A 125 21.239 -0.989 -25.544 1.00 0.00 C ATOM 1889 CD1 TYR A 125 20.614 -1.484 -24.382 1.00 0.00 C ATOM 1890 CD2 TYR A 125 22.636 -1.101 -25.688 1.00 0.00 C ATOM 1891 CE1 TYR A 125 21.377 -2.091 -23.369 1.00 0.00 C ATOM 1892 CE2 TYR A 125 23.406 -1.706 -24.680 1.00 0.00 C ATOM 1893 CZ TYR A 125 22.780 -2.204 -23.516 1.00 0.00 C ATOM 1894 OH TYR A 125 23.544 -2.786 -22.550 1.00 0.00 O ATOM 1895 OXT TYR A 125 20.260 2.002 -24.165 1.00 0.00 O ATOM 0 H TYR A 125 19.742 2.368 -27.635 1.00 0.00 H new ATOM 0 HA TYR A 125 18.802 0.532 -25.551 1.00 0.00 H new ATOM 0 HB2 TYR A 125 19.733 -1.056 -27.056 1.00 0.00 H new ATOM 0 HB3 TYR A 125 21.092 -0.018 -27.439 1.00 0.00 H new ATOM 0 HD1 TYR A 125 19.543 -1.397 -24.269 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.117 -0.720 -26.577 1.00 0.00 H new ATOM 0 HE1 TYR A 125 20.894 -2.470 -22.481 1.00 0.00 H new ATOM 0 HE2 TYR A 125 24.477 -1.790 -24.795 1.00 0.00 H new ATOM 0 HH TYR A 125 24.484 -2.775 -22.826 1.00 0.00 H new TER 1905 TYR A 125