USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 931 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HE2:sc= 0.914 K(o=3,f=-0.93!) USER MOD Set 1.3: A 119 THR OG1 : rot 100:sc= 0.942 USER MOD Set 2.1: A 53 HIS : no HD1:sc=0.000687 K(o=1.5,f=-2.3!) USER MOD Set 2.2: A 94 SER OG : rot 174:sc= 1.46 USER MOD Set 3.1: A 84 GLN : amide:sc= 0.0439 X(o=0.089,f=0.5) USER MOD Set 3.2: A 116 TYR OH : rot 180:sc= 0.0453 USER MOD Set 4.1: A 80 SER OG : rot -102:sc= 0.899 USER MOD Set 4.2: A 82 GLN : amide:sc= 0.853 K(o=1.8,f=0.62) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 0.975 K(o=2.3,f=-5!) USER MOD Set 5.2: A 40 SER OG : rot -129:sc= 1.28 USER MOD Set 6.1: A 22 TYR OH : rot -70:sc= 0.918 USER MOD Set 6.2: A 102 HIS : no HE2:sc= -0.0543 X(o=2,f=2.2) USER MOD Set 6.3: A 105 SER OG : rot 167:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00471) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.00184 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= 1.2 (180deg=1.08) USER MOD Single : A 29 SER OG : rot 73:sc= 1.2 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= 1.95 (180deg=1.64) USER MOD Single : A 47 TYR OH : rot 25:sc= 1.27 USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.16) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -10:sc= 0.705 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -86:sc= 1.23 USER MOD Single : A 64 MET CE :methyl -167:sc=-0.00415 (180deg=-0.422) USER MOD Single : A 65 GLN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0.955 K(o=0.95,f=-0.067) USER MOD Single : A 69 CYS SG : rot 11:sc= 0.171 USER MOD Single : A 71 CYS SG : rot 0:sc= -1.54 USER MOD Single : A 73 CYS SG : rot 162:sc= 1.7 USER MOD Single : A 81 HIS : no HD1:sc= -0.0053 X(o=-0.0053,f=-0.0014) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.23) 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 -134:sc= 0 (180deg=-0.232) USER MOD Single : A 97 TYR OH : rot 165:sc= -0.0191 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 15:sc= 0.0809 USER MOD Single : A 108 LYS NZ :NH3+ 146:sc= 2.08 (180deg=0.122) USER MOD Single : A 110 LYS NZ :NH3+ -175:sc= 1.86 (180deg=1.76) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0.13 K(o=0.13,f=-0.41) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.566 -7.474 -7.128 1.00 10.00 N ATOM 2 CA MET A 1 4.388 -7.574 -5.899 1.00 10.00 C ATOM 3 C MET A 1 4.204 -6.318 -5.041 1.00 10.00 C ATOM 4 O MET A 1 4.315 -5.213 -5.557 1.00 10.00 O ATOM 5 CB MET A 1 5.873 -7.819 -6.241 1.00 10.00 C ATOM 6 CG MET A 1 6.775 -7.958 -5.006 1.00 10.00 C ATOM 7 SD MET A 1 6.241 -9.201 -3.796 1.00 10.00 S ATOM 8 CE MET A 1 7.645 -9.112 -2.645 1.00 10.00 C ATOM 0 H1 MET A 1 4.082 -7.895 -7.926 1.00 10.00 H new ATOM 0 H2 MET A 1 2.670 -7.983 -6.988 1.00 10.00 H new ATOM 0 H3 MET A 1 3.368 -6.474 -7.333 1.00 10.00 H new ATOM 0 HA MET A 1 4.049 -8.433 -5.320 1.00 10.00 H new ATOM 0 HB2 MET A 1 5.954 -8.724 -6.843 1.00 10.00 H new ATOM 0 HB3 MET A 1 6.236 -6.995 -6.855 1.00 10.00 H new ATOM 0 HG2 MET A 1 7.783 -8.207 -5.338 1.00 10.00 H new ATOM 0 HG3 MET A 1 6.833 -6.990 -4.508 1.00 10.00 H new ATOM 0 HE1 MET A 1 7.482 -9.803 -1.818 1.00 10.00 H new ATOM 0 HE2 MET A 1 8.562 -9.383 -3.168 1.00 10.00 H new ATOM 0 HE3 MET A 1 7.734 -8.097 -2.258 1.00 10.00 H new ATOM 20 N ALA A 2 3.905 -6.492 -3.750 1.00 10.00 N ATOM 21 CA ALA A 2 3.774 -5.406 -2.778 1.00 10.00 C ATOM 22 C ALA A 2 4.161 -5.923 -1.389 1.00 10.00 C ATOM 23 O ALA A 2 3.968 -7.111 -1.100 1.00 10.00 O ATOM 24 CB ALA A 2 2.328 -4.893 -2.762 1.00 10.00 C ATOM 0 H ALA A 2 3.744 -7.414 -3.344 1.00 10.00 H new ATOM 0 HA ALA A 2 4.435 -4.585 -3.057 1.00 10.00 H new ATOM 0 HB1 ALA A 2 2.237 -4.085 -2.036 1.00 10.00 H new ATOM 0 HB2 ALA A 2 2.062 -4.523 -3.752 1.00 10.00 H new ATOM 0 HB3 ALA A 2 1.657 -5.706 -2.486 1.00 10.00 H new ATOM 30 N VAL A 3 4.675 -5.028 -0.554 1.00 10.00 N ATOM 31 CA VAL A 3 5.186 -5.245 0.784 1.00 10.00 C ATOM 32 C VAL A 3 4.902 -3.968 1.604 1.00 10.00 C ATOM 33 O VAL A 3 4.423 -2.976 1.055 1.00 10.00 O ATOM 34 CB VAL A 3 6.701 -5.555 0.703 1.00 10.00 C ATOM 35 CG1 VAL A 3 6.957 -7.058 0.507 1.00 10.00 C ATOM 36 CG2 VAL A 3 7.473 -4.770 -0.375 1.00 10.00 C ATOM 0 H VAL A 3 4.749 -4.047 -0.825 1.00 10.00 H new ATOM 0 HA VAL A 3 4.704 -6.093 1.270 1.00 10.00 H new ATOM 0 HB VAL A 3 7.087 -5.222 1.666 1.00 10.00 H new ATOM 0 HG11 VAL A 3 8.030 -7.240 0.454 1.00 10.00 H new ATOM 0 HG12 VAL A 3 6.536 -7.611 1.346 1.00 10.00 H new ATOM 0 HG13 VAL A 3 6.487 -7.389 -0.419 1.00 10.00 H new ATOM 0 HG21 VAL A 3 8.524 -5.057 -0.352 1.00 10.00 H new ATOM 0 HG22 VAL A 3 7.057 -4.995 -1.357 1.00 10.00 H new ATOM 0 HG23 VAL A 3 7.385 -3.701 -0.180 1.00 10.00 H new ATOM 46 N ALA A 4 5.230 -3.985 2.897 1.00 10.00 N ATOM 47 CA ALA A 4 5.160 -2.839 3.801 1.00 10.00 C ATOM 48 C ALA A 4 6.434 -2.812 4.651 1.00 10.00 C ATOM 49 O ALA A 4 7.241 -3.741 4.585 1.00 10.00 O ATOM 50 CB ALA A 4 3.908 -2.950 4.683 1.00 10.00 C ATOM 0 H ALA A 4 5.564 -4.830 3.360 1.00 10.00 H new ATOM 0 HA ALA A 4 5.089 -1.910 3.235 1.00 10.00 H new ATOM 0 HB1 ALA A 4 3.860 -2.094 5.356 1.00 10.00 H new ATOM 0 HB2 ALA A 4 3.019 -2.967 4.052 1.00 10.00 H new ATOM 0 HB3 ALA A 4 3.955 -3.868 5.268 1.00 10.00 H new ATOM 56 N ASP A 5 6.603 -1.771 5.462 1.00 10.00 N ATOM 57 CA ASP A 5 7.745 -1.603 6.359 1.00 10.00 C ATOM 58 C ASP A 5 7.284 -0.784 7.562 1.00 10.00 C ATOM 59 O ASP A 5 6.352 0.019 7.445 1.00 10.00 O ATOM 60 CB ASP A 5 8.887 -0.879 5.628 1.00 10.00 C ATOM 61 CG ASP A 5 10.130 -0.742 6.521 1.00 10.00 C ATOM 62 OD1 ASP A 5 10.226 0.280 7.239 1.00 10.00 O ATOM 63 OD2 ASP A 5 10.951 -1.680 6.527 1.00 10.00 O ATOM 0 H ASP A 5 5.935 -1.002 5.516 1.00 10.00 H new ATOM 0 HA ASP A 5 8.115 -2.574 6.687 1.00 10.00 H new ATOM 0 HB2 ASP A 5 9.147 -1.428 4.723 1.00 10.00 H new ATOM 0 HB3 ASP A 5 8.551 0.110 5.316 1.00 10.00 H new ATOM 68 N LEU A 6 7.915 -0.970 8.725 1.00 10.00 N ATOM 69 CA LEU A 6 7.563 -0.281 9.962 1.00 10.00 C ATOM 70 C LEU A 6 7.670 1.240 9.851 1.00 10.00 C ATOM 71 O LEU A 6 7.017 1.937 10.635 1.00 10.00 O ATOM 72 CB LEU A 6 8.437 -0.798 11.115 1.00 10.00 C ATOM 73 CG LEU A 6 8.032 -2.196 11.621 1.00 10.00 C ATOM 74 CD1 LEU A 6 9.111 -2.725 12.567 1.00 10.00 C ATOM 75 CD2 LEU A 6 6.697 -2.171 12.380 1.00 10.00 C ATOM 0 H LEU A 6 8.698 -1.615 8.831 1.00 10.00 H new ATOM 0 HA LEU A 6 6.515 -0.503 10.164 1.00 10.00 H new ATOM 0 HB2 LEU A 6 9.476 -0.827 10.787 1.00 10.00 H new ATOM 0 HB3 LEU A 6 8.384 -0.092 11.944 1.00 10.00 H new ATOM 0 HG LEU A 6 7.922 -2.839 10.748 1.00 10.00 H new ATOM 0 HD11 LEU A 6 8.827 -3.714 12.926 1.00 10.00 H new ATOM 0 HD12 LEU A 6 10.060 -2.791 12.035 1.00 10.00 H new ATOM 0 HD13 LEU A 6 9.216 -2.047 13.414 1.00 10.00 H new ATOM 0 HD21 LEU A 6 6.452 -3.178 12.718 1.00 10.00 H new ATOM 0 HD22 LEU A 6 6.781 -1.509 13.242 1.00 10.00 H new ATOM 0 HD23 LEU A 6 5.910 -1.808 11.719 1.00 10.00 H new ATOM 87 N ALA A 7 8.451 1.780 8.913 1.00 10.00 N ATOM 88 CA ALA A 7 8.510 3.215 8.660 1.00 10.00 C ATOM 89 C ALA A 7 7.152 3.791 8.231 1.00 10.00 C ATOM 90 O ALA A 7 6.915 4.980 8.420 1.00 10.00 O ATOM 91 CB ALA A 7 9.568 3.509 7.591 1.00 10.00 C ATOM 0 H ALA A 7 9.061 1.230 8.308 1.00 10.00 H new ATOM 0 HA ALA A 7 8.783 3.701 9.597 1.00 10.00 H new ATOM 0 HB1 ALA A 7 9.609 4.582 7.405 1.00 10.00 H new ATOM 0 HB2 ALA A 7 10.542 3.164 7.938 1.00 10.00 H new ATOM 0 HB3 ALA A 7 9.307 2.991 6.668 1.00 10.00 H new ATOM 97 N LEU A 8 6.263 2.967 7.662 1.00 10.00 N ATOM 98 CA LEU A 8 4.949 3.403 7.183 1.00 10.00 C ATOM 99 C LEU A 8 3.945 3.552 8.334 1.00 10.00 C ATOM 100 O LEU A 8 2.897 4.168 8.156 1.00 10.00 O ATOM 101 CB LEU A 8 4.392 2.397 6.154 1.00 10.00 C ATOM 102 CG LEU A 8 5.284 2.139 4.922 1.00 10.00 C ATOM 103 CD1 LEU A 8 4.596 1.127 3.997 1.00 10.00 C ATOM 104 CD2 LEU A 8 5.590 3.420 4.133 1.00 10.00 C ATOM 0 H LEU A 8 6.438 1.972 7.521 1.00 10.00 H new ATOM 0 HA LEU A 8 5.084 4.378 6.714 1.00 10.00 H new ATOM 0 HB2 LEU A 8 4.218 1.447 6.659 1.00 10.00 H new ATOM 0 HB3 LEU A 8 3.423 2.757 5.809 1.00 10.00 H new ATOM 0 HG LEU A 8 6.233 1.747 5.287 1.00 10.00 H new ATOM 0 HD11 LEU A 8 5.225 0.944 3.126 1.00 10.00 H new ATOM 0 HD12 LEU A 8 4.438 0.192 4.534 1.00 10.00 H new ATOM 0 HD13 LEU A 8 3.635 1.525 3.673 1.00 10.00 H new ATOM 0 HD21 LEU A 8 6.221 3.178 3.278 1.00 10.00 H new ATOM 0 HD22 LEU A 8 4.658 3.863 3.783 1.00 10.00 H new ATOM 0 HD23 LEU A 8 6.109 4.129 4.778 1.00 10.00 H new ATOM 116 N ILE A 9 4.232 2.964 9.502 1.00 10.00 N ATOM 117 CA ILE A 9 3.295 2.833 10.612 1.00 10.00 C ATOM 118 C ILE A 9 3.632 3.933 11.630 1.00 10.00 C ATOM 119 O ILE A 9 4.809 4.069 11.989 1.00 10.00 O ATOM 120 CB ILE A 9 3.435 1.389 11.152 1.00 10.00 C ATOM 121 CG1 ILE A 9 2.785 0.410 10.142 1.00 10.00 C ATOM 122 CG2 ILE A 9 2.826 1.201 12.556 1.00 10.00 C ATOM 123 CD1 ILE A 9 3.371 -1.004 10.191 1.00 10.00 C ATOM 0 H ILE A 9 5.146 2.558 9.701 1.00 10.00 H new ATOM 0 HA ILE A 9 2.250 2.972 10.337 1.00 10.00 H new ATOM 0 HB ILE A 9 4.499 1.178 11.258 1.00 10.00 H new ATOM 0 HG12 ILE A 9 1.714 0.357 10.339 1.00 10.00 H new ATOM 0 HG13 ILE A 9 2.905 0.809 9.135 1.00 10.00 H new ATOM 0 HG21 ILE A 9 2.958 0.167 12.875 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.326 1.865 13.261 1.00 10.00 H new ATOM 0 HG23 ILE A 9 1.763 1.438 12.526 1.00 10.00 H new ATOM 0 HD11 ILE A 9 2.867 -1.632 9.457 1.00 10.00 H new ATOM 0 HD12 ILE A 9 4.436 -0.964 9.964 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.227 -1.423 11.187 1.00 10.00 H new ATOM 135 N PRO A 10 2.646 4.699 12.140 1.00 10.00 N ATOM 136 CA PRO A 10 2.906 5.784 13.076 1.00 10.00 C ATOM 137 C PRO A 10 3.431 5.228 14.398 1.00 10.00 C ATOM 138 O PRO A 10 2.991 4.174 14.863 1.00 10.00 O ATOM 139 CB PRO A 10 1.576 6.527 13.240 1.00 10.00 C ATOM 140 CG PRO A 10 0.522 5.477 12.894 1.00 10.00 C ATOM 141 CD PRO A 10 1.221 4.608 11.848 1.00 10.00 C ATOM 0 HA PRO A 10 3.675 6.467 12.715 1.00 10.00 H new ATOM 0 HB2 PRO A 10 1.450 6.900 14.256 1.00 10.00 H new ATOM 0 HB3 PRO A 10 1.515 7.388 12.575 1.00 10.00 H new ATOM 0 HG2 PRO A 10 0.230 4.896 13.769 1.00 10.00 H new ATOM 0 HG3 PRO A 10 -0.385 5.933 12.497 1.00 10.00 H new ATOM 0 HD2 PRO A 10 0.876 3.576 11.904 1.00 10.00 H new ATOM 0 HD3 PRO A 10 1.006 4.961 10.840 1.00 10.00 H new ATOM 149 N ASP A 11 4.378 5.934 15.014 1.00 10.00 N ATOM 150 CA ASP A 11 5.075 5.484 16.224 1.00 10.00 C ATOM 151 C ASP A 11 4.228 5.682 17.487 1.00 10.00 C ATOM 152 O ASP A 11 4.284 4.887 18.423 1.00 10.00 O ATOM 153 CB ASP A 11 6.383 6.264 16.350 1.00 10.00 C ATOM 154 CG ASP A 11 7.303 5.643 17.400 1.00 10.00 C ATOM 155 OD1 ASP A 11 7.787 4.519 17.161 1.00 10.00 O ATOM 156 OD2 ASP A 11 7.628 6.314 18.404 1.00 10.00 O ATOM 0 H ASP A 11 4.689 6.848 14.684 1.00 10.00 H new ATOM 0 HA ASP A 11 5.269 4.415 16.132 1.00 10.00 H new ATOM 0 HB2 ASP A 11 6.891 6.284 15.386 1.00 10.00 H new ATOM 0 HB3 ASP A 11 6.167 7.298 16.619 1.00 10.00 H new ATOM 161 N VAL A 12 3.352 6.686 17.465 1.00 10.00 N ATOM 162 CA VAL A 12 2.414 7.022 18.527 1.00 10.00 C ATOM 163 C VAL A 12 1.088 7.340 17.836 1.00 10.00 C ATOM 164 O VAL A 12 1.075 8.046 16.829 1.00 10.00 O ATOM 165 CB VAL A 12 2.931 8.236 19.327 1.00 10.00 C ATOM 166 CG1 VAL A 12 2.007 8.576 20.509 1.00 10.00 C ATOM 167 CG2 VAL A 12 4.345 8.004 19.875 1.00 10.00 C ATOM 0 H VAL A 12 3.276 7.315 16.666 1.00 10.00 H new ATOM 0 HA VAL A 12 2.294 6.204 19.237 1.00 10.00 H new ATOM 0 HB VAL A 12 2.947 9.068 18.623 1.00 10.00 H new ATOM 0 HG11 VAL A 12 2.406 9.436 21.047 1.00 10.00 H new ATOM 0 HG12 VAL A 12 1.010 8.812 20.136 1.00 10.00 H new ATOM 0 HG13 VAL A 12 1.949 7.721 21.183 1.00 10.00 H new ATOM 0 HG21 VAL A 12 4.669 8.884 20.431 1.00 10.00 H new ATOM 0 HG22 VAL A 12 4.341 7.138 20.537 1.00 10.00 H new ATOM 0 HG23 VAL A 12 5.031 7.825 19.047 1.00 10.00 H new ATOM 177 N ASP A 13 -0.005 6.798 18.363 1.00 10.00 N ATOM 178 CA ASP A 13 -1.361 7.169 17.966 1.00 10.00 C ATOM 179 C ASP A 13 -2.238 6.890 19.175 1.00 10.00 C ATOM 180 O ASP A 13 -2.298 5.743 19.633 1.00 10.00 O ATOM 181 CB ASP A 13 -1.844 6.372 16.745 1.00 10.00 C ATOM 182 CG ASP A 13 -3.298 6.730 16.387 1.00 10.00 C ATOM 183 OD1 ASP A 13 -3.620 7.933 16.357 1.00 10.00 O ATOM 184 OD2 ASP A 13 -4.083 5.787 16.136 1.00 10.00 O ATOM 0 H ASP A 13 0.025 6.080 19.087 1.00 10.00 H new ATOM 0 HA ASP A 13 -1.401 8.217 17.667 1.00 10.00 H new ATOM 0 HB2 ASP A 13 -1.196 6.578 15.893 1.00 10.00 H new ATOM 0 HB3 ASP A 13 -1.770 5.304 16.952 1.00 10.00 H new ATOM 189 N ILE A 14 -2.790 7.939 19.772 1.00 10.00 N ATOM 190 CA ILE A 14 -3.474 7.893 21.056 1.00 10.00 C ATOM 191 C ILE A 14 -4.732 8.766 21.010 1.00 10.00 C ATOM 192 O ILE A 14 -4.857 9.642 20.154 1.00 10.00 O ATOM 193 CB ILE A 14 -2.520 8.316 22.201 1.00 10.00 C ATOM 194 CG1 ILE A 14 -1.882 9.708 21.977 1.00 10.00 C ATOM 195 CG2 ILE A 14 -1.449 7.231 22.449 1.00 10.00 C ATOM 196 CD1 ILE A 14 -1.163 10.259 23.215 1.00 10.00 C ATOM 0 H ILE A 14 -2.773 8.873 19.363 1.00 10.00 H new ATOM 0 HA ILE A 14 -3.784 6.868 21.259 1.00 10.00 H new ATOM 0 HB ILE A 14 -3.129 8.410 23.100 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -1.172 9.645 21.153 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -2.659 10.411 21.675 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -0.790 7.548 23.257 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.936 6.295 22.724 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -0.865 7.082 21.541 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -0.740 11.237 22.985 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -1.874 10.355 24.036 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -0.363 9.577 23.505 1.00 10.00 H new ATOM 208 N ASP A 15 -5.652 8.519 21.942 1.00 10.00 N ATOM 209 CA ASP A 15 -6.872 9.305 22.121 1.00 10.00 C ATOM 210 C ASP A 15 -6.560 10.731 22.604 1.00 10.00 C ATOM 211 O ASP A 15 -5.412 11.062 22.928 1.00 10.00 O ATOM 212 CB ASP A 15 -7.831 8.588 23.087 1.00 10.00 C ATOM 213 CG ASP A 15 -9.281 8.696 22.603 1.00 10.00 C ATOM 214 OD1 ASP A 15 -9.809 9.829 22.570 1.00 10.00 O ATOM 215 OD2 ASP A 15 -9.851 7.636 22.240 1.00 10.00 O ATOM 0 H ASP A 15 -5.568 7.751 22.608 1.00 10.00 H new ATOM 0 HA ASP A 15 -7.362 9.395 21.151 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -7.550 7.538 23.172 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -7.743 9.023 24.082 1.00 10.00 H new ATOM 220 N SER A 16 -7.595 11.570 22.713 1.00 10.00 N ATOM 221 CA SER A 16 -7.471 13.008 22.949 1.00 10.00 C ATOM 222 C SER A 16 -8.511 13.533 23.956 1.00 10.00 C ATOM 223 O SER A 16 -8.659 14.747 24.090 1.00 10.00 O ATOM 224 CB SER A 16 -7.598 13.746 21.604 1.00 10.00 C ATOM 225 OG SER A 16 -6.720 13.235 20.613 1.00 10.00 O ATOM 0 H SER A 16 -8.563 11.259 22.638 1.00 10.00 H new ATOM 0 HA SER A 16 -6.493 13.197 23.391 1.00 10.00 H new ATOM 0 HB2 SER A 16 -8.625 13.669 21.248 1.00 10.00 H new ATOM 0 HB3 SER A 16 -7.391 14.806 21.755 1.00 10.00 H new ATOM 0 HG SER A 16 -6.841 13.736 19.779 1.00 10.00 H new ATOM 231 N ASP A 17 -9.227 12.658 24.668 1.00 10.00 N ATOM 232 CA ASP A 17 -10.291 13.044 25.594 1.00 10.00 C ATOM 233 C ASP A 17 -10.379 12.049 26.749 1.00 10.00 C ATOM 234 O ASP A 17 -10.318 10.835 26.537 1.00 10.00 O ATOM 235 CB ASP A 17 -11.639 13.082 24.859 1.00 10.00 C ATOM 236 CG ASP A 17 -12.804 13.310 25.836 1.00 10.00 C ATOM 237 OD1 ASP A 17 -12.971 14.456 26.299 1.00 10.00 O ATOM 238 OD2 ASP A 17 -13.532 12.329 26.144 1.00 10.00 O ATOM 0 H ASP A 17 -9.081 11.650 24.616 1.00 10.00 H new ATOM 0 HA ASP A 17 -10.060 14.033 25.989 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -11.626 13.877 24.113 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -11.790 12.145 24.323 1.00 10.00 H new ATOM 243 N GLY A 18 -10.568 12.573 27.968 1.00 10.00 N ATOM 244 CA GLY A 18 -10.847 11.794 29.166 1.00 10.00 C ATOM 245 C GLY A 18 -9.739 10.800 29.507 1.00 10.00 C ATOM 246 O GLY A 18 -8.588 10.941 29.088 1.00 10.00 O ATOM 0 H GLY A 18 -10.529 13.577 28.145 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -10.990 12.472 30.008 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -11.783 11.253 29.030 1.00 10.00 H new ATOM 250 N VAL A 19 -10.076 9.839 30.370 1.00 10.00 N ATOM 251 CA VAL A 19 -9.241 8.677 30.645 1.00 10.00 C ATOM 252 C VAL A 19 -9.375 7.713 29.456 1.00 10.00 C ATOM 253 O VAL A 19 -10.483 7.521 28.954 1.00 10.00 O ATOM 254 CB VAL A 19 -9.681 8.013 31.969 1.00 10.00 C ATOM 255 CG1 VAL A 19 -8.772 6.829 32.340 1.00 10.00 C ATOM 256 CG2 VAL A 19 -9.680 9.012 33.142 1.00 10.00 C ATOM 0 H VAL A 19 -10.947 9.850 30.901 1.00 10.00 H new ATOM 0 HA VAL A 19 -8.196 8.964 30.762 1.00 10.00 H new ATOM 0 HB VAL A 19 -10.697 7.656 31.800 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -9.113 6.388 33.277 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -8.811 6.079 31.550 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -7.747 7.180 32.456 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -9.995 8.504 34.053 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -8.675 9.412 33.279 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -10.369 9.829 32.925 1.00 10.00 H new ATOM 266 N PHE A 20 -8.288 7.048 29.066 1.00 10.00 N ATOM 267 CA PHE A 20 -8.299 5.978 28.078 1.00 10.00 C ATOM 268 C PHE A 20 -7.171 4.988 28.376 1.00 10.00 C ATOM 269 O PHE A 20 -6.138 5.362 28.931 1.00 10.00 O ATOM 270 CB PHE A 20 -8.188 6.555 26.659 1.00 10.00 C ATOM 271 CG PHE A 20 -6.962 7.396 26.354 1.00 10.00 C ATOM 272 CD1 PHE A 20 -6.942 8.772 26.658 1.00 10.00 C ATOM 273 CD2 PHE A 20 -5.865 6.815 25.692 1.00 10.00 C ATOM 274 CE1 PHE A 20 -5.843 9.564 26.279 1.00 10.00 C ATOM 275 CE2 PHE A 20 -4.769 7.604 25.311 1.00 10.00 C ATOM 276 CZ PHE A 20 -4.761 8.982 25.593 1.00 10.00 C ATOM 0 H PHE A 20 -7.359 7.244 29.437 1.00 10.00 H new ATOM 0 HA PHE A 20 -9.246 5.441 28.137 1.00 10.00 H new ATOM 0 HB2 PHE A 20 -8.215 5.725 25.952 1.00 10.00 H new ATOM 0 HB3 PHE A 20 -9.072 7.163 26.470 1.00 10.00 H new ATOM 0 HD1 PHE A 20 -7.773 9.220 27.183 1.00 10.00 H new ATOM 0 HD2 PHE A 20 -5.866 5.757 25.476 1.00 10.00 H new ATOM 0 HE1 PHE A 20 -5.830 10.618 26.514 1.00 10.00 H new ATOM 0 HE2 PHE A 20 -3.931 7.153 24.801 1.00 10.00 H new ATOM 0 HZ PHE A 20 -3.926 9.592 25.283 1.00 10.00 H new ATOM 286 N LYS A 21 -7.385 3.705 28.067 1.00 10.00 N ATOM 287 CA LYS A 21 -6.368 2.667 28.254 1.00 10.00 C ATOM 288 C LYS A 21 -5.314 2.811 27.156 1.00 10.00 C ATOM 289 O LYS A 21 -5.616 3.330 26.082 1.00 10.00 O ATOM 290 CB LYS A 21 -7.002 1.267 28.198 1.00 10.00 C ATOM 291 CG LYS A 21 -8.107 1.063 29.247 1.00 10.00 C ATOM 292 CD LYS A 21 -8.699 -0.353 29.161 1.00 10.00 C ATOM 293 CE LYS A 21 -9.877 -0.554 30.130 1.00 10.00 C ATOM 294 NZ LYS A 21 -11.078 0.240 29.763 1.00 10.00 N ATOM 0 H LYS A 21 -8.264 3.359 27.682 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.905 2.787 29.234 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.418 1.103 27.204 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -6.225 0.517 28.346 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -7.701 1.230 30.245 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -8.896 1.800 29.096 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -9.034 -0.543 28.141 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.921 -1.084 29.382 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -10.142 -1.611 30.155 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -9.562 -0.280 31.137 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -11.904 -0.118 30.284 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -10.922 1.239 30.007 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -11.251 0.156 28.741 1.00 10.00 H new ATOM 308 N TYR A 22 -4.108 2.291 27.386 1.00 10.00 N ATOM 309 CA TYR A 22 -3.067 2.241 26.365 1.00 10.00 C ATOM 310 C TYR A 22 -2.176 1.016 26.570 1.00 10.00 C ATOM 311 O TYR A 22 -2.137 0.439 27.661 1.00 10.00 O ATOM 312 CB TYR A 22 -2.265 3.558 26.334 1.00 10.00 C ATOM 313 CG TYR A 22 -0.898 3.505 26.980 1.00 10.00 C ATOM 314 CD1 TYR A 22 -0.763 3.696 28.363 1.00 10.00 C ATOM 315 CD2 TYR A 22 0.236 3.233 26.192 1.00 10.00 C ATOM 316 CE1 TYR A 22 0.506 3.635 28.957 1.00 10.00 C ATOM 317 CE2 TYR A 22 1.511 3.184 26.777 1.00 10.00 C ATOM 318 CZ TYR A 22 1.653 3.406 28.162 1.00 10.00 C ATOM 319 OH TYR A 22 2.893 3.431 28.718 1.00 10.00 O ATOM 0 H TYR A 22 -3.828 1.894 28.283 1.00 10.00 H new ATOM 0 HA TYR A 22 -3.535 2.137 25.386 1.00 10.00 H new ATOM 0 HB2 TYR A 22 -2.145 3.865 25.295 1.00 10.00 H new ATOM 0 HB3 TYR A 22 -2.852 4.332 26.829 1.00 10.00 H new ATOM 0 HD1 TYR A 22 -1.635 3.890 28.970 1.00 10.00 H new ATOM 0 HD2 TYR A 22 0.125 3.061 25.132 1.00 10.00 H new ATOM 0 HE1 TYR A 22 0.608 3.763 30.025 1.00 10.00 H new ATOM 0 HE2 TYR A 22 2.379 2.977 26.169 1.00 10.00 H new ATOM 0 HH TYR A 22 3.120 4.351 28.969 1.00 10.00 H new ATOM 329 N VAL A 23 -1.462 0.621 25.518 1.00 10.00 N ATOM 330 CA VAL A 23 -0.521 -0.490 25.505 1.00 10.00 C ATOM 331 C VAL A 23 0.760 0.001 24.810 1.00 10.00 C ATOM 332 O VAL A 23 0.702 0.755 23.832 1.00 10.00 O ATOM 333 CB VAL A 23 -1.149 -1.719 24.801 1.00 10.00 C ATOM 334 CG1 VAL A 23 -0.309 -2.990 24.997 1.00 10.00 C ATOM 335 CG2 VAL A 23 -2.570 -2.052 25.299 1.00 10.00 C ATOM 0 H VAL A 23 -1.528 1.089 24.614 1.00 10.00 H new ATOM 0 HA VAL A 23 -0.275 -0.816 26.516 1.00 10.00 H new ATOM 0 HB VAL A 23 -1.185 -1.429 23.751 1.00 10.00 H new ATOM 0 HG11 VAL A 23 -0.788 -3.825 24.486 1.00 10.00 H new ATOM 0 HG12 VAL A 23 0.687 -2.835 24.583 1.00 10.00 H new ATOM 0 HG13 VAL A 23 -0.229 -3.213 26.061 1.00 10.00 H new ATOM 0 HG21 VAL A 23 -2.948 -2.923 24.764 1.00 10.00 H new ATOM 0 HG22 VAL A 23 -2.540 -2.268 26.367 1.00 10.00 H new ATOM 0 HG23 VAL A 23 -3.227 -1.201 25.119 1.00 10.00 H new ATOM 345 N LEU A 24 1.912 -0.441 25.324 1.00 10.00 N ATOM 346 CA LEU A 24 3.221 -0.281 24.707 1.00 10.00 C ATOM 347 C LEU A 24 3.487 -1.616 24.013 1.00 10.00 C ATOM 348 O LEU A 24 3.544 -2.650 24.682 1.00 10.00 O ATOM 349 CB LEU A 24 4.267 0.037 25.798 1.00 10.00 C ATOM 350 CG LEU A 24 5.731 0.089 25.304 1.00 10.00 C ATOM 351 CD1 LEU A 24 5.959 1.142 24.213 1.00 10.00 C ATOM 352 CD2 LEU A 24 6.654 0.399 26.487 1.00 10.00 C ATOM 0 H LEU A 24 1.954 -0.937 26.214 1.00 10.00 H new ATOM 0 HA LEU A 24 3.271 0.541 23.993 1.00 10.00 H new ATOM 0 HB2 LEU A 24 4.018 0.997 26.250 1.00 10.00 H new ATOM 0 HB3 LEU A 24 4.191 -0.715 26.583 1.00 10.00 H new ATOM 0 HG LEU A 24 5.954 -0.886 24.871 1.00 10.00 H new ATOM 0 HD11 LEU A 24 7.005 1.129 23.908 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.328 0.918 23.353 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.706 2.129 24.601 1.00 10.00 H new ATOM 0 HD21 LEU A 24 7.687 0.436 26.142 1.00 10.00 H new ATOM 0 HD22 LEU A 24 6.381 1.362 26.919 1.00 10.00 H new ATOM 0 HD23 LEU A 24 6.552 -0.380 27.242 1.00 10.00 H new ATOM 364 N ILE A 25 3.588 -1.615 22.688 1.00 10.00 N ATOM 365 CA ILE A 25 3.584 -2.838 21.894 1.00 10.00 C ATOM 366 C ILE A 25 4.878 -2.839 21.088 1.00 10.00 C ATOM 367 O ILE A 25 5.156 -1.871 20.379 1.00 10.00 O ATOM 368 CB ILE A 25 2.321 -2.884 20.997 1.00 10.00 C ATOM 369 CG1 ILE A 25 1.004 -2.688 21.788 1.00 10.00 C ATOM 370 CG2 ILE A 25 2.254 -4.225 20.244 1.00 10.00 C ATOM 371 CD1 ILE A 25 -0.212 -2.386 20.907 1.00 10.00 C ATOM 0 H ILE A 25 3.675 -0.764 22.133 1.00 10.00 H new ATOM 0 HA ILE A 25 3.544 -3.732 22.516 1.00 10.00 H new ATOM 0 HB ILE A 25 2.413 -2.052 20.298 1.00 10.00 H new ATOM 0 HG12 ILE A 25 0.804 -3.588 22.370 1.00 10.00 H new ATOM 0 HG13 ILE A 25 1.137 -1.872 22.499 1.00 10.00 H new ATOM 0 HG21 ILE A 25 1.363 -4.246 19.617 1.00 10.00 H new ATOM 0 HG22 ILE A 25 3.140 -4.336 19.619 1.00 10.00 H new ATOM 0 HG23 ILE A 25 2.212 -5.044 20.962 1.00 10.00 H new ATOM 0 HD11 ILE A 25 -1.094 -2.262 21.535 1.00 10.00 H new ATOM 0 HD12 ILE A 25 -0.035 -1.469 20.345 1.00 10.00 H new ATOM 0 HD13 ILE A 25 -0.373 -3.212 20.214 1.00 10.00 H new ATOM 383 N ARG A 26 5.678 -3.898 21.204 1.00 10.00 N ATOM 384 CA ARG A 26 6.800 -4.125 20.308 1.00 10.00 C ATOM 385 C ARG A 26 6.228 -4.780 19.062 1.00 10.00 C ATOM 386 O ARG A 26 5.321 -5.606 19.164 1.00 10.00 O ATOM 387 CB ARG A 26 7.870 -4.986 21.000 1.00 10.00 C ATOM 388 CG ARG A 26 9.088 -5.219 20.090 1.00 10.00 C ATOM 389 CD ARG A 26 10.369 -5.554 20.864 1.00 10.00 C ATOM 390 NE ARG A 26 10.275 -6.788 21.664 1.00 10.00 N ATOM 391 CZ ARG A 26 11.268 -7.313 22.390 1.00 10.00 C ATOM 392 NH1 ARG A 26 12.486 -6.760 22.403 1.00 10.00 N ATOM 393 NH2 ARG A 26 11.035 -8.407 23.093 1.00 10.00 N ATOM 0 H ARG A 26 5.564 -4.616 21.919 1.00 10.00 H new ATOM 0 HA ARG A 26 7.303 -3.197 20.034 1.00 10.00 H new ATOM 0 HB2 ARG A 26 8.191 -4.498 21.920 1.00 10.00 H new ATOM 0 HB3 ARG A 26 7.438 -5.946 21.283 1.00 10.00 H new ATOM 0 HG2 ARG A 26 8.866 -6.032 19.399 1.00 10.00 H new ATOM 0 HG3 ARG A 26 9.259 -4.327 19.488 1.00 10.00 H new ATOM 0 HD2 ARG A 26 11.194 -5.652 20.158 1.00 10.00 H new ATOM 0 HD3 ARG A 26 10.612 -4.721 21.524 1.00 10.00 H new ATOM 0 HE ARG A 26 9.382 -7.281 21.664 1.00 10.00 H new ATOM 0 HH11 ARG A 26 12.671 -5.922 21.852 1.00 10.00 H new ATOM 0 HH12 ARG A 26 13.229 -7.177 22.964 1.00 10.00 H new ATOM 0 HH21 ARG A 26 10.110 -8.837 23.076 1.00 10.00 H new ATOM 0 HH22 ARG A 26 11.780 -8.822 23.653 1.00 10.00 H new ATOM 407 N VAL A 27 6.712 -4.401 17.889 1.00 10.00 N ATOM 408 CA VAL A 27 6.184 -4.841 16.612 1.00 10.00 C ATOM 409 C VAL A 27 7.383 -5.251 15.768 1.00 10.00 C ATOM 410 O VAL A 27 8.434 -4.604 15.826 1.00 10.00 O ATOM 411 CB VAL A 27 5.341 -3.718 15.967 1.00 10.00 C ATOM 412 CG1 VAL A 27 4.616 -4.193 14.702 1.00 10.00 C ATOM 413 CG2 VAL A 27 4.265 -3.180 16.922 1.00 10.00 C ATOM 0 H VAL A 27 7.503 -3.763 17.799 1.00 10.00 H new ATOM 0 HA VAL A 27 5.508 -5.690 16.714 1.00 10.00 H new ATOM 0 HB VAL A 27 6.058 -2.934 15.722 1.00 10.00 H new ATOM 0 HG11 VAL A 27 4.037 -3.370 14.284 1.00 10.00 H new ATOM 0 HG12 VAL A 27 5.348 -4.531 13.968 1.00 10.00 H new ATOM 0 HG13 VAL A 27 3.947 -5.016 14.953 1.00 10.00 H new ATOM 0 HG21 VAL A 27 3.698 -2.393 16.425 1.00 10.00 H new ATOM 0 HG22 VAL A 27 3.592 -3.989 17.204 1.00 10.00 H new ATOM 0 HG23 VAL A 27 4.741 -2.776 17.815 1.00 10.00 H new ATOM 423 N HIS A 28 7.218 -6.307 14.981 1.00 10.00 N ATOM 424 CA HIS A 28 8.258 -6.943 14.196 1.00 10.00 C ATOM 425 C HIS A 28 7.761 -7.002 12.757 1.00 10.00 C ATOM 426 O HIS A 28 6.594 -7.322 12.526 1.00 10.00 O ATOM 427 CB HIS A 28 8.500 -8.367 14.722 1.00 10.00 C ATOM 428 CG HIS A 28 8.755 -8.456 16.207 1.00 10.00 C ATOM 429 ND1 HIS A 28 9.908 -8.085 16.856 1.00 10.00 N ATOM 430 CD2 HIS A 28 7.889 -8.927 17.161 1.00 10.00 C ATOM 431 CE1 HIS A 28 9.748 -8.338 18.164 1.00 10.00 C ATOM 432 NE2 HIS A 28 8.528 -8.842 18.407 1.00 10.00 N ATOM 0 H HIS A 28 6.311 -6.761 14.871 1.00 10.00 H new ATOM 0 HA HIS A 28 9.193 -6.387 14.260 1.00 10.00 H new ATOM 0 HB2 HIS A 28 7.634 -8.982 14.478 1.00 10.00 H new ATOM 0 HB3 HIS A 28 9.353 -8.795 14.194 1.00 10.00 H new ATOM 0 HD2 HIS A 28 6.890 -9.298 16.984 1.00 10.00 H new ATOM 0 HE1 HIS A 28 10.499 -8.160 18.919 1.00 10.00 H new ATOM 0 HE2 HIS A 28 8.144 -9.109 19.313 1.00 10.00 H new ATOM 440 N SER A 29 8.629 -6.691 11.799 1.00 10.00 N ATOM 441 CA SER A 29 8.303 -6.797 10.383 1.00 10.00 C ATOM 442 C SER A 29 8.127 -8.270 10.011 1.00 10.00 C ATOM 443 O SER A 29 8.897 -9.122 10.453 1.00 10.00 O ATOM 444 CB SER A 29 9.414 -6.181 9.525 1.00 10.00 C ATOM 445 OG SER A 29 9.740 -4.877 9.963 1.00 10.00 O ATOM 0 H SER A 29 9.576 -6.359 11.983 1.00 10.00 H new ATOM 0 HA SER A 29 7.377 -6.254 10.195 1.00 10.00 H new ATOM 0 HB2 SER A 29 10.301 -6.813 9.567 1.00 10.00 H new ATOM 0 HB3 SER A 29 9.095 -6.148 8.483 1.00 10.00 H new ATOM 0 HG SER A 29 10.240 -4.930 10.804 1.00 10.00 H new ATOM 451 N ALA A 30 7.138 -8.551 9.165 1.00 10.00 N ATOM 452 CA ALA A 30 6.950 -9.821 8.480 1.00 10.00 C ATOM 453 C ALA A 30 6.274 -9.536 7.129 1.00 10.00 C ATOM 454 O ALA A 30 5.152 -9.988 6.879 1.00 10.00 O ATOM 455 CB ALA A 30 6.138 -10.760 9.365 1.00 10.00 C ATOM 0 H ALA A 30 6.417 -7.869 8.931 1.00 10.00 H new ATOM 0 HA ALA A 30 7.900 -10.319 8.286 1.00 10.00 H new ATOM 0 HB1 ALA A 30 5.997 -11.712 8.853 1.00 10.00 H new ATOM 0 HB2 ALA A 30 6.670 -10.928 10.302 1.00 10.00 H new ATOM 0 HB3 ALA A 30 5.166 -10.313 9.574 1.00 10.00 H new ATOM 461 N PRO A 31 6.892 -8.692 6.280 1.00 10.00 N ATOM 462 CA PRO A 31 6.267 -8.172 5.073 1.00 10.00 C ATOM 463 C PRO A 31 5.885 -9.326 4.149 1.00 10.00 C ATOM 464 O PRO A 31 6.681 -10.245 3.944 1.00 10.00 O ATOM 465 CB PRO A 31 7.283 -7.221 4.430 1.00 10.00 C ATOM 466 CG PRO A 31 8.356 -7.011 5.500 1.00 10.00 C ATOM 467 CD PRO A 31 8.279 -8.279 6.347 1.00 10.00 C ATOM 0 HA PRO A 31 5.345 -7.632 5.287 1.00 10.00 H new ATOM 0 HB2 PRO A 31 7.708 -7.651 3.523 1.00 10.00 H new ATOM 0 HB3 PRO A 31 6.817 -6.277 4.147 1.00 10.00 H new ATOM 0 HG2 PRO A 31 9.344 -6.885 5.057 1.00 10.00 H new ATOM 0 HG3 PRO A 31 8.158 -6.120 6.095 1.00 10.00 H new ATOM 0 HD2 PRO A 31 8.940 -9.054 5.959 1.00 10.00 H new ATOM 0 HD3 PRO A 31 8.584 -8.086 7.375 1.00 10.00 H new ATOM 475 N ARG A 32 4.669 -9.279 3.592 1.00 10.00 N ATOM 476 CA ARG A 32 4.078 -10.341 2.766 1.00 10.00 C ATOM 477 C ARG A 32 4.224 -11.744 3.394 1.00 10.00 C ATOM 478 O ARG A 32 4.236 -12.735 2.675 1.00 10.00 O ATOM 479 CB ARG A 32 4.637 -10.220 1.332 1.00 10.00 C ATOM 480 CG ARG A 32 3.686 -10.774 0.262 1.00 10.00 C ATOM 481 CD ARG A 32 4.278 -10.573 -1.139 1.00 10.00 C ATOM 482 NE ARG A 32 3.317 -10.955 -2.191 1.00 10.00 N ATOM 483 CZ ARG A 32 2.298 -10.211 -2.633 1.00 10.00 C ATOM 484 NH1 ARG A 32 2.120 -8.958 -2.212 1.00 10.00 N ATOM 485 NH2 ARG A 32 1.468 -10.712 -3.547 1.00 10.00 N ATOM 0 H ARG A 32 4.050 -8.477 3.707 1.00 10.00 H new ATOM 0 HA ARG A 32 2.998 -10.206 2.716 1.00 10.00 H new ATOM 0 HB2 ARG A 32 4.844 -9.172 1.117 1.00 10.00 H new ATOM 0 HB3 ARG A 32 5.587 -10.751 1.274 1.00 10.00 H new ATOM 0 HG2 ARG A 32 3.508 -11.835 0.439 1.00 10.00 H new ATOM 0 HG3 ARG A 32 2.720 -10.273 0.331 1.00 10.00 H new ATOM 0 HD2 ARG A 32 4.565 -9.529 -1.268 1.00 10.00 H new ATOM 0 HD3 ARG A 32 5.186 -11.168 -1.240 1.00 10.00 H new ATOM 0 HE ARG A 32 3.442 -11.872 -2.621 1.00 10.00 H new ATOM 0 HH11 ARG A 32 2.769 -8.549 -1.539 1.00 10.00 H new ATOM 0 HH12 ARG A 32 1.335 -8.409 -2.563 1.00 10.00 H new ATOM 0 HH21 ARG A 32 1.613 -11.656 -3.904 1.00 10.00 H new ATOM 0 HH22 ARG A 32 0.688 -10.151 -3.890 1.00 10.00 H new ATOM 499 N SER A 33 4.336 -11.823 4.725 1.00 10.00 N ATOM 500 CA SER A 33 4.636 -13.038 5.480 1.00 10.00 C ATOM 501 C SER A 33 5.837 -13.835 4.921 1.00 10.00 C ATOM 502 O SER A 33 5.852 -15.059 5.028 1.00 10.00 O ATOM 503 CB SER A 33 3.356 -13.878 5.622 1.00 10.00 C ATOM 504 OG SER A 33 2.284 -13.094 6.121 1.00 10.00 O ATOM 0 H SER A 33 4.215 -11.008 5.326 1.00 10.00 H new ATOM 0 HA SER A 33 4.967 -12.746 6.477 1.00 10.00 H new ATOM 0 HB2 SER A 33 3.084 -14.298 4.654 1.00 10.00 H new ATOM 0 HB3 SER A 33 3.540 -14.717 6.293 1.00 10.00 H new ATOM 0 HG SER A 33 1.481 -13.650 6.201 1.00 10.00 H new ATOM 510 N GLY A 34 6.837 -13.171 4.320 1.00 10.00 N ATOM 511 CA GLY A 34 7.967 -13.884 3.723 1.00 10.00 C ATOM 512 C GLY A 34 9.136 -13.035 3.217 1.00 10.00 C ATOM 513 O GLY A 34 10.114 -13.614 2.749 1.00 10.00 O ATOM 0 H GLY A 34 6.883 -12.155 4.237 1.00 10.00 H new ATOM 0 HA2 GLY A 34 8.353 -14.586 4.462 1.00 10.00 H new ATOM 0 HA3 GLY A 34 7.591 -14.475 2.888 1.00 10.00 H new ATOM 517 N ALA A 35 9.074 -11.696 3.265 1.00 10.00 N ATOM 518 CA ALA A 35 10.208 -10.859 2.875 1.00 10.00 C ATOM 519 C ALA A 35 11.419 -11.127 3.791 1.00 10.00 C ATOM 520 O ALA A 35 11.228 -11.415 4.974 1.00 10.00 O ATOM 521 CB ALA A 35 9.820 -9.378 2.934 1.00 10.00 C ATOM 0 H ALA A 35 8.252 -11.175 3.570 1.00 10.00 H new ATOM 0 HA ALA A 35 10.485 -11.110 1.851 1.00 10.00 H new ATOM 0 HB1 ALA A 35 10.673 -8.766 2.641 1.00 10.00 H new ATOM 0 HB2 ALA A 35 8.990 -9.192 2.253 1.00 10.00 H new ATOM 0 HB3 ALA A 35 9.521 -9.121 3.950 1.00 10.00 H new ATOM 527 N PRO A 36 12.660 -10.950 3.298 1.00 10.00 N ATOM 528 CA PRO A 36 13.889 -11.118 4.076 1.00 10.00 C ATOM 529 C PRO A 36 14.156 -9.898 4.985 1.00 10.00 C ATOM 530 O PRO A 36 15.228 -9.297 4.934 1.00 10.00 O ATOM 531 CB PRO A 36 14.976 -11.373 3.020 1.00 10.00 C ATOM 532 CG PRO A 36 14.513 -10.512 1.847 1.00 10.00 C ATOM 533 CD PRO A 36 12.993 -10.660 1.907 1.00 10.00 C ATOM 0 HA PRO A 36 13.843 -11.947 4.783 1.00 10.00 H new ATOM 0 HB2 PRO A 36 15.963 -11.077 3.375 1.00 10.00 H new ATOM 0 HB3 PRO A 36 15.038 -12.427 2.749 1.00 10.00 H new ATOM 0 HG2 PRO A 36 14.824 -9.473 1.958 1.00 10.00 H new ATOM 0 HG3 PRO A 36 14.918 -10.866 0.899 1.00 10.00 H new ATOM 0 HD2 PRO A 36 12.501 -9.747 1.572 1.00 10.00 H new ATOM 0 HD3 PRO A 36 12.655 -11.463 1.252 1.00 10.00 H new ATOM 541 N ALA A 37 13.167 -9.497 5.787 1.00 10.00 N ATOM 542 CA ALA A 37 13.238 -8.365 6.697 1.00 10.00 C ATOM 543 C ALA A 37 12.506 -8.727 7.988 1.00 10.00 C ATOM 544 O ALA A 37 11.407 -9.282 7.941 1.00 10.00 O ATOM 545 CB ALA A 37 12.590 -7.142 6.040 1.00 10.00 C ATOM 0 H ALA A 37 12.265 -9.972 5.817 1.00 10.00 H new ATOM 0 HA ALA A 37 14.277 -8.128 6.926 1.00 10.00 H new ATOM 0 HB1 ALA A 37 12.642 -6.293 6.721 1.00 10.00 H new ATOM 0 HB2 ALA A 37 13.119 -6.901 5.118 1.00 10.00 H new ATOM 0 HB3 ALA A 37 11.547 -7.361 5.813 1.00 10.00 H new ATOM 551 N ALA A 38 13.117 -8.387 9.123 1.00 10.00 N ATOM 552 CA ALA A 38 12.617 -8.663 10.466 1.00 10.00 C ATOM 553 C ALA A 38 13.005 -7.515 11.411 1.00 10.00 C ATOM 554 O ALA A 38 13.259 -7.729 12.597 1.00 10.00 O ATOM 555 CB ALA A 38 13.157 -10.022 10.937 1.00 10.00 C ATOM 0 H ALA A 38 14.009 -7.892 9.130 1.00 10.00 H new ATOM 0 HA ALA A 38 11.529 -8.722 10.465 1.00 10.00 H new ATOM 0 HB1 ALA A 38 12.786 -10.233 11.940 1.00 10.00 H new ATOM 0 HB2 ALA A 38 12.822 -10.803 10.255 1.00 10.00 H new ATOM 0 HB3 ALA A 38 14.247 -9.996 10.951 1.00 10.00 H new ATOM 561 N GLU A 39 13.088 -6.293 10.876 1.00 10.00 N ATOM 562 CA GLU A 39 13.318 -5.086 11.667 1.00 10.00 C ATOM 563 C GLU A 39 12.150 -4.913 12.640 1.00 10.00 C ATOM 564 O GLU A 39 11.030 -5.334 12.334 1.00 10.00 O ATOM 565 CB GLU A 39 13.434 -3.854 10.752 1.00 10.00 C ATOM 566 CG GLU A 39 14.594 -3.927 9.745 1.00 10.00 C ATOM 567 CD GLU A 39 15.976 -4.070 10.415 1.00 10.00 C ATOM 568 OE1 GLU A 39 16.443 -3.087 11.029 1.00 10.00 O ATOM 569 OE2 GLU A 39 16.570 -5.166 10.326 1.00 10.00 O ATOM 0 H GLU A 39 12.997 -6.115 9.876 1.00 10.00 H new ATOM 0 HA GLU A 39 14.253 -5.183 12.220 1.00 10.00 H new ATOM 0 HB2 GLU A 39 12.499 -3.732 10.205 1.00 10.00 H new ATOM 0 HB3 GLU A 39 13.560 -2.966 11.371 1.00 10.00 H new ATOM 0 HG2 GLU A 39 14.433 -4.773 9.077 1.00 10.00 H new ATOM 0 HG3 GLU A 39 14.588 -3.028 9.129 1.00 10.00 H new ATOM 576 N SER A 40 12.385 -4.284 13.793 1.00 10.00 N ATOM 577 CA SER A 40 11.392 -4.134 14.854 1.00 10.00 C ATOM 578 C SER A 40 11.465 -2.734 15.469 1.00 10.00 C ATOM 579 O SER A 40 12.492 -2.066 15.371 1.00 10.00 O ATOM 580 CB SER A 40 11.627 -5.191 15.940 1.00 10.00 C ATOM 581 OG SER A 40 11.776 -6.498 15.403 1.00 10.00 O ATOM 0 H SER A 40 13.285 -3.859 14.018 1.00 10.00 H new ATOM 0 HA SER A 40 10.401 -4.272 14.422 1.00 10.00 H new ATOM 0 HB2 SER A 40 12.520 -4.931 16.508 1.00 10.00 H new ATOM 0 HB3 SER A 40 10.790 -5.182 16.639 1.00 10.00 H new ATOM 0 HG SER A 40 11.172 -7.114 15.868 1.00 10.00 H new ATOM 587 N LYS A 41 10.379 -2.299 16.111 1.00 10.00 N ATOM 588 CA LYS A 41 10.314 -1.070 16.908 1.00 10.00 C ATOM 589 C LYS A 41 9.247 -1.228 17.992 1.00 10.00 C ATOM 590 O LYS A 41 8.515 -2.219 17.979 1.00 10.00 O ATOM 591 CB LYS A 41 10.088 0.171 16.014 1.00 10.00 C ATOM 592 CG LYS A 41 8.653 0.382 15.494 1.00 10.00 C ATOM 593 CD LYS A 41 8.606 1.603 14.560 1.00 10.00 C ATOM 594 CE LYS A 41 7.166 1.975 14.178 1.00 10.00 C ATOM 595 NZ LYS A 41 7.121 3.077 13.188 1.00 10.00 N ATOM 0 H LYS A 41 9.494 -2.806 16.091 1.00 10.00 H new ATOM 0 HA LYS A 41 11.271 -0.904 17.402 1.00 10.00 H new ATOM 0 HB2 LYS A 41 10.382 1.057 16.577 1.00 10.00 H new ATOM 0 HB3 LYS A 41 10.757 0.102 15.156 1.00 10.00 H new ATOM 0 HG2 LYS A 41 8.316 -0.507 14.961 1.00 10.00 H new ATOM 0 HG3 LYS A 41 7.972 0.528 16.332 1.00 10.00 H new ATOM 0 HD2 LYS A 41 9.083 2.453 15.048 1.00 10.00 H new ATOM 0 HD3 LYS A 41 9.178 1.392 13.657 1.00 10.00 H new ATOM 0 HE2 LYS A 41 6.662 1.099 13.769 1.00 10.00 H new ATOM 0 HE3 LYS A 41 6.618 2.269 15.073 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 6.158 3.467 13.147 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 7.786 3.825 13.471 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 7.388 2.713 12.251 1.00 10.00 H new ATOM 609 N GLU A 42 9.083 -0.237 18.863 1.00 10.00 N ATOM 610 CA GLU A 42 8.036 -0.221 19.873 1.00 10.00 C ATOM 611 C GLU A 42 7.130 0.968 19.576 1.00 10.00 C ATOM 612 O GLU A 42 7.621 2.028 19.181 1.00 10.00 O ATOM 613 CB GLU A 42 8.622 -0.123 21.292 1.00 10.00 C ATOM 614 CG GLU A 42 9.531 -1.296 21.702 1.00 10.00 C ATOM 615 CD GLU A 42 10.945 -1.248 21.084 1.00 10.00 C ATOM 616 OE1 GLU A 42 11.700 -0.309 21.403 1.00 10.00 O ATOM 617 OE2 GLU A 42 11.276 -2.165 20.301 1.00 10.00 O ATOM 0 H GLU A 42 9.683 0.588 18.885 1.00 10.00 H new ATOM 0 HA GLU A 42 7.470 -1.152 19.836 1.00 10.00 H new ATOM 0 HB2 GLU A 42 9.191 0.803 21.371 1.00 10.00 H new ATOM 0 HB3 GLU A 42 7.800 -0.053 22.004 1.00 10.00 H new ATOM 0 HG2 GLU A 42 9.622 -1.308 22.788 1.00 10.00 H new ATOM 0 HG3 GLU A 42 9.052 -2.231 21.412 1.00 10.00 H new ATOM 624 N ILE A 43 5.824 0.812 19.784 1.00 10.00 N ATOM 625 CA ILE A 43 4.812 1.822 19.494 1.00 10.00 C ATOM 626 C ILE A 43 3.887 1.997 20.696 1.00 10.00 C ATOM 627 O ILE A 43 3.710 1.077 21.497 1.00 10.00 O ATOM 628 CB ILE A 43 4.008 1.462 18.218 1.00 10.00 C ATOM 629 CG1 ILE A 43 3.201 0.150 18.366 1.00 10.00 C ATOM 630 CG2 ILE A 43 4.937 1.418 16.992 1.00 10.00 C ATOM 631 CD1 ILE A 43 2.222 -0.141 17.224 1.00 10.00 C ATOM 0 H ILE A 43 5.431 -0.046 20.170 1.00 10.00 H new ATOM 0 HA ILE A 43 5.316 2.770 19.303 1.00 10.00 H new ATOM 0 HB ILE A 43 3.272 2.252 18.069 1.00 10.00 H new ATOM 0 HG12 ILE A 43 3.901 -0.682 18.445 1.00 10.00 H new ATOM 0 HG13 ILE A 43 2.643 0.188 19.302 1.00 10.00 H new ATOM 0 HG21 ILE A 43 4.357 1.164 16.105 1.00 10.00 H new ATOM 0 HG22 ILE A 43 5.403 2.393 16.854 1.00 10.00 H new ATOM 0 HG23 ILE A 43 5.710 0.665 17.148 1.00 10.00 H new ATOM 0 HD11 ILE A 43 1.705 -1.080 17.419 1.00 10.00 H new ATOM 0 HD12 ILE A 43 1.494 0.667 17.155 1.00 10.00 H new ATOM 0 HD13 ILE A 43 2.770 -0.217 16.285 1.00 10.00 H new ATOM 643 N VAL A 44 3.256 3.164 20.782 1.00 10.00 N ATOM 644 CA VAL A 44 2.266 3.488 21.802 1.00 10.00 C ATOM 645 C VAL A 44 0.918 3.518 21.083 1.00 10.00 C ATOM 646 O VAL A 44 0.778 4.235 20.085 1.00 10.00 O ATOM 647 CB VAL A 44 2.627 4.844 22.450 1.00 10.00 C ATOM 648 CG1 VAL A 44 1.696 5.210 23.615 1.00 10.00 C ATOM 649 CG2 VAL A 44 4.064 4.879 23.003 1.00 10.00 C ATOM 0 H VAL A 44 3.423 3.929 20.128 1.00 10.00 H new ATOM 0 HA VAL A 44 2.233 2.760 22.612 1.00 10.00 H new ATOM 0 HB VAL A 44 2.519 5.562 21.637 1.00 10.00 H new ATOM 0 HG11 VAL A 44 1.996 6.171 24.032 1.00 10.00 H new ATOM 0 HG12 VAL A 44 0.670 5.275 23.254 1.00 10.00 H new ATOM 0 HG13 VAL A 44 1.761 4.443 24.387 1.00 10.00 H new ATOM 0 HG21 VAL A 44 4.260 5.856 23.446 1.00 10.00 H new ATOM 0 HG22 VAL A 44 4.180 4.106 23.763 1.00 10.00 H new ATOM 0 HG23 VAL A 44 4.770 4.700 22.192 1.00 10.00 H new ATOM 659 N ARG A 45 -0.069 2.754 21.563 1.00 10.00 N ATOM 660 CA ARG A 45 -1.439 2.726 21.050 1.00 10.00 C ATOM 661 C ARG A 45 -2.351 2.885 22.256 1.00 10.00 C ATOM 662 O ARG A 45 -2.082 2.252 23.279 1.00 10.00 O ATOM 663 CB ARG A 45 -1.730 1.368 20.381 1.00 10.00 C ATOM 664 CG ARG A 45 -0.921 1.035 19.118 1.00 10.00 C ATOM 665 CD ARG A 45 -1.288 1.885 17.896 1.00 10.00 C ATOM 666 NE ARG A 45 -0.416 3.059 17.826 1.00 10.00 N ATOM 667 CZ ARG A 45 0.497 3.306 16.889 1.00 10.00 C ATOM 668 NH1 ARG A 45 0.463 2.755 15.677 1.00 10.00 N ATOM 669 NH2 ARG A 45 1.507 4.092 17.201 1.00 10.00 N ATOM 0 H ARG A 45 0.071 2.117 22.347 1.00 10.00 H new ATOM 0 HA ARG A 45 -1.593 3.513 20.312 1.00 10.00 H new ATOM 0 HB2 ARG A 45 -1.554 0.582 21.115 1.00 10.00 H new ATOM 0 HB3 ARG A 45 -2.789 1.334 20.126 1.00 10.00 H new ATOM 0 HG2 ARG A 45 0.139 1.167 19.334 1.00 10.00 H new ATOM 0 HG3 ARG A 45 -1.068 -0.017 18.873 1.00 10.00 H new ATOM 0 HD2 ARG A 45 -1.188 1.292 16.987 1.00 10.00 H new ATOM 0 HD3 ARG A 45 -2.330 2.198 17.960 1.00 10.00 H new ATOM 0 HE ARG A 45 -0.518 3.754 18.566 1.00 10.00 H new ATOM 0 HH11 ARG A 45 -0.288 2.110 15.431 1.00 10.00 H new ATOM 0 HH12 ARG A 45 1.188 2.978 14.995 1.00 10.00 H new ATOM 0 HH21 ARG A 45 1.572 4.491 18.137 1.00 10.00 H new ATOM 0 HH22 ARG A 45 2.224 4.301 16.506 1.00 10.00 H new ATOM 683 N GLY A 46 -3.430 3.658 22.177 1.00 10.00 N ATOM 684 CA GLY A 46 -4.376 3.738 23.278 1.00 10.00 C ATOM 685 C GLY A 46 -5.614 4.516 22.899 1.00 10.00 C ATOM 686 O GLY A 46 -5.500 5.601 22.345 1.00 10.00 O ATOM 0 H GLY A 46 -3.667 4.232 21.368 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -4.660 2.732 23.587 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -3.897 4.212 24.135 1.00 10.00 H new ATOM 690 N TYR A 47 -6.784 3.964 23.218 1.00 10.00 N ATOM 691 CA TYR A 47 -8.063 4.481 22.736 1.00 10.00 C ATOM 692 C TYR A 47 -9.155 4.325 23.793 1.00 10.00 C ATOM 693 O TYR A 47 -9.178 3.328 24.528 1.00 10.00 O ATOM 694 CB TYR A 47 -8.460 3.725 21.467 1.00 10.00 C ATOM 695 CG TYR A 47 -7.392 3.687 20.388 1.00 10.00 C ATOM 696 CD1 TYR A 47 -7.200 4.801 19.549 1.00 10.00 C ATOM 697 CD2 TYR A 47 -6.574 2.548 20.244 1.00 10.00 C ATOM 698 CE1 TYR A 47 -6.195 4.778 18.565 1.00 10.00 C ATOM 699 CE2 TYR A 47 -5.580 2.513 19.253 1.00 10.00 C ATOM 700 CZ TYR A 47 -5.385 3.632 18.408 1.00 10.00 C ATOM 701 OH TYR A 47 -4.422 3.580 17.452 1.00 10.00 O ATOM 0 H TYR A 47 -6.871 3.144 23.819 1.00 10.00 H new ATOM 0 HA TYR A 47 -7.952 5.544 22.521 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.720 2.702 21.737 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -9.358 4.184 21.054 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -7.825 5.675 19.661 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -6.712 1.700 20.898 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -6.043 5.638 17.929 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -4.965 1.633 19.135 1.00 10.00 H new ATOM 0 HH TYR A 47 -4.135 4.490 17.227 1.00 10.00 H new ATOM 711 N LYS A 48 -10.068 5.300 23.864 1.00 10.00 N ATOM 712 CA LYS A 48 -11.109 5.369 24.891 1.00 10.00 C ATOM 713 C LYS A 48 -12.093 4.205 24.796 1.00 10.00 C ATOM 714 O LYS A 48 -12.599 3.766 25.827 1.00 10.00 O ATOM 715 CB LYS A 48 -11.812 6.736 24.771 1.00 10.00 C ATOM 716 CG LYS A 48 -12.753 7.058 25.941 1.00 10.00 C ATOM 717 CD LYS A 48 -13.370 8.454 25.769 1.00 10.00 C ATOM 718 CE LYS A 48 -14.249 8.805 26.976 1.00 10.00 C ATOM 719 NZ LYS A 48 -14.983 10.079 26.784 1.00 10.00 N ATOM 0 H LYS A 48 -10.104 6.073 23.200 1.00 10.00 H new ATOM 0 HA LYS A 48 -10.653 5.278 25.877 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -11.055 7.517 24.701 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -12.382 6.760 23.842 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -13.543 6.309 25.996 1.00 10.00 H new ATOM 0 HG3 LYS A 48 -12.203 7.011 26.881 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -12.580 9.196 25.659 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -13.966 8.485 24.857 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -14.962 8.000 27.150 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -13.626 8.877 27.868 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -15.483 10.327 27.662 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -14.310 10.835 26.543 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -15.672 9.970 26.012 1.00 10.00 H new ATOM 733 N TRP A 49 -12.365 3.698 23.589 1.00 10.00 N ATOM 734 CA TRP A 49 -13.333 2.623 23.387 1.00 10.00 C ATOM 735 C TRP A 49 -12.869 1.280 23.970 1.00 10.00 C ATOM 736 O TRP A 49 -13.707 0.399 24.118 1.00 10.00 O ATOM 737 CB TRP A 49 -13.694 2.502 21.893 1.00 10.00 C ATOM 738 CG TRP A 49 -12.550 2.444 20.918 1.00 10.00 C ATOM 739 CD1 TRP A 49 -12.206 3.432 20.060 1.00 10.00 C ATOM 740 CD2 TRP A 49 -11.565 1.380 20.707 1.00 10.00 C ATOM 741 NE1 TRP A 49 -11.077 3.071 19.356 1.00 10.00 N ATOM 742 CE2 TRP A 49 -10.601 1.846 19.765 1.00 10.00 C ATOM 743 CE3 TRP A 49 -11.358 0.085 21.229 1.00 10.00 C ATOM 744 CZ2 TRP A 49 -9.443 1.125 19.450 1.00 10.00 C ATOM 745 CZ3 TRP A 49 -10.186 -0.640 20.942 1.00 10.00 C ATOM 746 CH2 TRP A 49 -9.211 -0.105 20.084 1.00 10.00 C ATOM 0 H TRP A 49 -11.921 4.022 22.730 1.00 10.00 H new ATOM 0 HA TRP A 49 -14.232 2.890 23.942 1.00 10.00 H new ATOM 0 HB2 TRP A 49 -14.297 1.604 21.762 1.00 10.00 H new ATOM 0 HB3 TRP A 49 -14.324 3.351 21.627 1.00 10.00 H new ATOM 0 HD1 TRP A 49 -12.737 4.365 19.944 1.00 10.00 H new ATOM 0 HE1 TRP A 49 -10.649 3.639 18.625 1.00 10.00 H new ATOM 0 HE3 TRP A 49 -12.113 -0.358 21.861 1.00 10.00 H new ATOM 0 HZ2 TRP A 49 -8.738 1.510 18.729 1.00 10.00 H new ATOM 0 HZ3 TRP A 49 -10.036 -1.614 21.384 1.00 10.00 H new ATOM 0 HH2 TRP A 49 -8.287 -0.638 19.913 1.00 10.00 H new ATOM 757 N ALA A 50 -11.575 1.102 24.278 1.00 10.00 N ATOM 758 CA ALA A 50 -11.028 -0.188 24.683 1.00 10.00 C ATOM 759 C ALA A 50 -11.724 -0.728 25.933 1.00 10.00 C ATOM 760 O ALA A 50 -11.630 -0.122 27.012 1.00 10.00 O ATOM 761 CB ALA A 50 -9.523 -0.064 24.915 1.00 10.00 C ATOM 0 H ALA A 50 -10.884 1.852 24.251 1.00 10.00 H new ATOM 0 HA ALA A 50 -11.208 -0.901 23.878 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -9.121 -1.031 25.217 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -9.038 0.259 23.994 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -9.335 0.669 25.700 1.00 10.00 H new ATOM 767 N GLU A 51 -12.355 -1.893 25.818 1.00 10.00 N ATOM 768 CA GLU A 51 -13.025 -2.551 26.934 1.00 10.00 C ATOM 769 C GLU A 51 -11.992 -3.030 27.964 1.00 10.00 C ATOM 770 O GLU A 51 -12.180 -2.865 29.170 1.00 10.00 O ATOM 771 CB GLU A 51 -13.881 -3.707 26.390 1.00 10.00 C ATOM 772 CG GLU A 51 -14.826 -4.287 27.453 1.00 10.00 C ATOM 773 CD GLU A 51 -15.775 -5.351 26.856 1.00 10.00 C ATOM 774 OE1 GLU A 51 -15.332 -6.507 26.668 1.00 10.00 O ATOM 775 OE2 GLU A 51 -16.955 -5.016 26.611 1.00 10.00 O ATOM 0 H GLU A 51 -12.416 -2.410 24.941 1.00 10.00 H new ATOM 0 HA GLU A 51 -13.684 -1.850 27.447 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -14.467 -3.354 25.541 1.00 10.00 H new ATOM 0 HB3 GLU A 51 -13.227 -4.496 26.020 1.00 10.00 H new ATOM 0 HG2 GLU A 51 -14.240 -4.732 28.257 1.00 10.00 H new ATOM 0 HG3 GLU A 51 -15.414 -3.482 27.895 1.00 10.00 H new ATOM 782 N TYR A 52 -10.836 -3.507 27.486 1.00 10.00 N ATOM 783 CA TYR A 52 -9.695 -3.980 28.256 1.00 10.00 C ATOM 784 C TYR A 52 -8.437 -3.703 27.435 1.00 10.00 C ATOM 785 O TYR A 52 -8.512 -3.417 26.244 1.00 10.00 O ATOM 786 CB TYR A 52 -9.813 -5.494 28.518 1.00 10.00 C ATOM 787 CG TYR A 52 -10.964 -5.912 29.415 1.00 10.00 C ATOM 788 CD1 TYR A 52 -10.904 -5.660 30.800 1.00 10.00 C ATOM 789 CD2 TYR A 52 -12.082 -6.573 28.872 1.00 10.00 C ATOM 790 CE1 TYR A 52 -11.963 -6.053 31.640 1.00 10.00 C ATOM 791 CE2 TYR A 52 -13.142 -6.973 29.706 1.00 10.00 C ATOM 792 CZ TYR A 52 -13.093 -6.708 31.093 1.00 10.00 C ATOM 793 OH TYR A 52 -14.122 -7.096 31.897 1.00 10.00 O ATOM 0 H TYR A 52 -10.669 -3.574 26.482 1.00 10.00 H new ATOM 0 HA TYR A 52 -9.655 -3.469 29.218 1.00 10.00 H new ATOM 0 HB2 TYR A 52 -9.917 -6.004 27.560 1.00 10.00 H new ATOM 0 HB3 TYR A 52 -8.882 -5.842 28.965 1.00 10.00 H new ATOM 0 HD1 TYR A 52 -10.042 -5.163 31.219 1.00 10.00 H new ATOM 0 HD2 TYR A 52 -12.126 -6.774 27.812 1.00 10.00 H new ATOM 0 HE1 TYR A 52 -11.914 -5.855 32.701 1.00 10.00 H new ATOM 0 HE2 TYR A 52 -13.995 -7.484 29.285 1.00 10.00 H new ATOM 0 HH TYR A 52 -14.815 -7.529 31.356 1.00 10.00 H new ATOM 803 N HIS A 53 -7.255 -3.846 28.037 1.00 10.00 N ATOM 804 CA HIS A 53 -5.975 -3.745 27.327 1.00 10.00 C ATOM 805 C HIS A 53 -5.860 -4.790 26.206 1.00 10.00 C ATOM 806 O HIS A 53 -5.202 -4.535 25.198 1.00 10.00 O ATOM 807 CB HIS A 53 -4.833 -3.883 28.342 1.00 10.00 C ATOM 808 CG HIS A 53 -4.883 -2.811 29.401 1.00 10.00 C ATOM 809 ND1 HIS A 53 -5.614 -2.870 30.593 1.00 10.00 N ATOM 810 CD2 HIS A 53 -4.321 -1.576 29.284 1.00 10.00 C ATOM 811 CE1 HIS A 53 -5.467 -1.661 31.163 1.00 10.00 C ATOM 812 NE2 HIS A 53 -4.695 -0.870 30.399 1.00 10.00 N ATOM 0 H HIS A 53 -7.156 -4.036 29.034 1.00 10.00 H new ATOM 0 HA HIS A 53 -5.913 -2.770 26.843 1.00 10.00 H new ATOM 0 HB2 HIS A 53 -4.886 -4.863 28.816 1.00 10.00 H new ATOM 0 HB3 HIS A 53 -3.877 -3.833 27.821 1.00 10.00 H new ATOM 0 HD2 HIS A 53 -3.702 -1.222 28.473 1.00 10.00 H new ATOM 0 HE1 HIS A 53 -5.908 -1.367 32.104 1.00 10.00 H new ATOM 0 HE2 HIS A 53 -4.432 0.092 30.612 1.00 10.00 H new ATOM 820 N ALA A 54 -6.518 -5.942 26.372 1.00 10.00 N ATOM 821 CA ALA A 54 -6.646 -6.962 25.335 1.00 10.00 C ATOM 822 C ALA A 54 -7.326 -6.425 24.069 1.00 10.00 C ATOM 823 O ALA A 54 -6.988 -6.868 22.981 1.00 10.00 O ATOM 824 CB ALA A 54 -7.425 -8.158 25.893 1.00 10.00 C ATOM 0 H ALA A 54 -6.982 -6.192 27.245 1.00 10.00 H new ATOM 0 HA ALA A 54 -5.642 -7.274 25.046 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -7.522 -8.921 25.121 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -6.891 -8.573 26.748 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -8.416 -7.832 26.207 1.00 10.00 H new ATOM 830 N ASP A 55 -8.247 -5.469 24.215 1.00 10.00 N ATOM 831 CA ASP A 55 -9.025 -4.927 23.095 1.00 10.00 C ATOM 832 C ASP A 55 -8.099 -4.168 22.139 1.00 10.00 C ATOM 833 O ASP A 55 -8.153 -4.328 20.923 1.00 10.00 O ATOM 834 CB ASP A 55 -10.122 -3.992 23.644 1.00 10.00 C ATOM 835 CG ASP A 55 -11.326 -3.769 22.709 1.00 10.00 C ATOM 836 OD1 ASP A 55 -11.373 -4.340 21.599 1.00 10.00 O ATOM 837 OD2 ASP A 55 -12.215 -3.008 23.146 1.00 10.00 O ATOM 0 H ASP A 55 -8.476 -5.047 25.115 1.00 10.00 H new ATOM 0 HA ASP A 55 -9.496 -5.741 22.544 1.00 10.00 H new ATOM 0 HB2 ASP A 55 -10.486 -4.400 24.587 1.00 10.00 H new ATOM 0 HB3 ASP A 55 -9.673 -3.024 23.868 1.00 10.00 H new ATOM 842 N ILE A 56 -7.174 -3.376 22.709 1.00 10.00 N ATOM 843 CA ILE A 56 -6.193 -2.614 21.942 1.00 10.00 C ATOM 844 C ILE A 56 -5.276 -3.603 21.223 1.00 10.00 C ATOM 845 O ILE A 56 -5.104 -3.491 20.010 1.00 10.00 O ATOM 846 CB ILE A 56 -5.410 -1.642 22.862 1.00 10.00 C ATOM 847 CG1 ILE A 56 -6.375 -0.633 23.519 1.00 10.00 C ATOM 848 CG2 ILE A 56 -4.310 -0.887 22.085 1.00 10.00 C ATOM 849 CD1 ILE A 56 -5.776 0.150 24.689 1.00 10.00 C ATOM 0 H ILE A 56 -7.092 -3.251 23.718 1.00 10.00 H new ATOM 0 HA ILE A 56 -6.690 -1.992 21.198 1.00 10.00 H new ATOM 0 HB ILE A 56 -4.927 -2.238 23.637 1.00 10.00 H new ATOM 0 HG12 ILE A 56 -6.713 0.073 22.761 1.00 10.00 H new ATOM 0 HG13 ILE A 56 -7.257 -1.169 23.871 1.00 10.00 H new ATOM 0 HG21 ILE A 56 -3.782 -0.215 22.762 1.00 10.00 H new ATOM 0 HG22 ILE A 56 -3.606 -1.604 21.663 1.00 10.00 H new ATOM 0 HG23 ILE A 56 -4.765 -0.308 21.281 1.00 10.00 H new ATOM 0 HD11 ILE A 56 -6.524 0.835 25.089 1.00 10.00 H new ATOM 0 HD12 ILE A 56 -5.464 -0.544 25.470 1.00 10.00 H new ATOM 0 HD13 ILE A 56 -4.912 0.718 24.343 1.00 10.00 H new ATOM 861 N TYR A 57 -4.664 -4.545 21.955 1.00 10.00 N ATOM 862 CA TYR A 57 -3.728 -5.482 21.342 1.00 10.00 C ATOM 863 C TYR A 57 -4.408 -6.291 20.235 1.00 10.00 C ATOM 864 O TYR A 57 -3.797 -6.502 19.189 1.00 10.00 O ATOM 865 CB TYR A 57 -3.118 -6.401 22.405 1.00 10.00 C ATOM 866 CG TYR A 57 -2.165 -7.444 21.846 1.00 10.00 C ATOM 867 CD1 TYR A 57 -0.830 -7.103 21.543 1.00 10.00 C ATOM 868 CD2 TYR A 57 -2.624 -8.753 21.604 1.00 10.00 C ATOM 869 CE1 TYR A 57 0.043 -8.067 21.002 1.00 10.00 C ATOM 870 CE2 TYR A 57 -1.761 -9.717 21.054 1.00 10.00 C ATOM 871 CZ TYR A 57 -0.424 -9.380 20.746 1.00 10.00 C ATOM 872 OH TYR A 57 0.392 -10.325 20.210 1.00 10.00 O ATOM 0 H TYR A 57 -4.801 -4.673 22.958 1.00 10.00 H new ATOM 0 HA TYR A 57 -2.921 -4.911 20.883 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -2.586 -5.792 23.135 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -3.923 -6.907 22.938 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -0.476 -6.099 21.726 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -3.644 -9.018 21.842 1.00 10.00 H new ATOM 0 HE1 TYR A 57 1.068 -7.805 20.782 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -2.121 -10.718 20.866 1.00 10.00 H new ATOM 0 HH TYR A 57 1.225 -9.905 19.909 1.00 10.00 H new ATOM 882 N ASP A 58 -5.659 -6.701 20.427 1.00 10.00 N ATOM 883 CA ASP A 58 -6.408 -7.468 19.427 1.00 10.00 C ATOM 884 C ASP A 58 -6.609 -6.672 18.135 1.00 10.00 C ATOM 885 O ASP A 58 -6.320 -7.174 17.047 1.00 10.00 O ATOM 886 CB ASP A 58 -7.768 -7.917 19.975 1.00 10.00 C ATOM 887 CG ASP A 58 -8.573 -8.676 18.901 1.00 10.00 C ATOM 888 OD1 ASP A 58 -8.249 -9.858 18.653 1.00 10.00 O ATOM 889 OD2 ASP A 58 -9.496 -8.070 18.313 1.00 10.00 O ATOM 0 H ASP A 58 -6.185 -6.512 21.280 1.00 10.00 H new ATOM 0 HA ASP A 58 -5.811 -8.351 19.197 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -7.620 -8.558 20.844 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -8.333 -7.048 20.312 1.00 10.00 H new ATOM 894 N LYS A 59 -7.014 -5.394 18.238 1.00 10.00 N ATOM 895 CA LYS A 59 -7.158 -4.538 17.058 1.00 10.00 C ATOM 896 C LYS A 59 -5.807 -4.360 16.388 1.00 10.00 C ATOM 897 O LYS A 59 -5.707 -4.492 15.169 1.00 10.00 O ATOM 898 CB LYS A 59 -7.727 -3.162 17.434 1.00 10.00 C ATOM 899 CG LYS A 59 -9.203 -3.194 17.840 1.00 10.00 C ATOM 900 CD LYS A 59 -10.164 -3.486 16.676 1.00 10.00 C ATOM 901 CE LYS A 59 -11.614 -3.386 17.171 1.00 10.00 C ATOM 902 NZ LYS A 59 -12.600 -3.654 16.092 1.00 10.00 N ATOM 0 H LYS A 59 -7.245 -4.938 19.121 1.00 10.00 H new ATOM 0 HA LYS A 59 -7.854 -5.021 16.372 1.00 10.00 H new ATOM 0 HB2 LYS A 59 -7.142 -2.750 18.256 1.00 10.00 H new ATOM 0 HB3 LYS A 59 -7.607 -2.486 16.587 1.00 10.00 H new ATOM 0 HG2 LYS A 59 -9.341 -3.952 18.611 1.00 10.00 H new ATOM 0 HG3 LYS A 59 -9.468 -2.235 18.285 1.00 10.00 H new ATOM 0 HD2 LYS A 59 -9.996 -2.777 15.865 1.00 10.00 H new ATOM 0 HD3 LYS A 59 -9.974 -4.481 16.274 1.00 10.00 H new ATOM 0 HE2 LYS A 59 -11.767 -4.095 17.984 1.00 10.00 H new ATOM 0 HE3 LYS A 59 -11.788 -2.391 17.580 1.00 10.00 H new ATOM 0 HZ1 LYS A 59 -13.564 -3.575 16.475 1.00 10.00 H new ATOM 0 HZ2 LYS A 59 -12.474 -2.962 15.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 59 -12.454 -4.614 15.719 1.00 10.00 H new ATOM 916 N VAL A 60 -4.783 -4.013 17.169 1.00 10.00 N ATOM 917 CA VAL A 60 -3.505 -3.608 16.617 1.00 10.00 C ATOM 918 C VAL A 60 -2.841 -4.811 15.943 1.00 10.00 C ATOM 919 O VAL A 60 -2.331 -4.666 14.838 1.00 10.00 O ATOM 920 CB VAL A 60 -2.643 -2.960 17.717 1.00 10.00 C ATOM 921 CG1 VAL A 60 -1.213 -2.651 17.241 1.00 10.00 C ATOM 922 CG2 VAL A 60 -3.282 -1.641 18.194 1.00 10.00 C ATOM 0 H VAL A 60 -4.822 -4.007 18.188 1.00 10.00 H new ATOM 0 HA VAL A 60 -3.637 -2.849 15.846 1.00 10.00 H new ATOM 0 HB VAL A 60 -2.592 -3.684 18.530 1.00 10.00 H new ATOM 0 HG11 VAL A 60 -0.649 -2.196 18.055 1.00 10.00 H new ATOM 0 HG12 VAL A 60 -0.724 -3.575 16.934 1.00 10.00 H new ATOM 0 HG13 VAL A 60 -1.251 -1.963 16.397 1.00 10.00 H new ATOM 0 HG21 VAL A 60 -2.661 -1.196 18.971 1.00 10.00 H new ATOM 0 HG22 VAL A 60 -3.362 -0.951 17.354 1.00 10.00 H new ATOM 0 HG23 VAL A 60 -4.276 -1.842 18.595 1.00 10.00 H new ATOM 932 N SER A 61 -2.856 -5.995 16.560 1.00 10.00 N ATOM 933 CA SER A 61 -2.280 -7.189 15.947 1.00 10.00 C ATOM 934 C SER A 61 -3.050 -7.590 14.683 1.00 10.00 C ATOM 935 O SER A 61 -2.429 -8.058 13.726 1.00 10.00 O ATOM 936 CB SER A 61 -2.174 -8.334 16.966 1.00 10.00 C ATOM 937 OG SER A 61 -3.398 -8.602 17.604 1.00 10.00 O ATOM 0 H SER A 61 -3.261 -6.150 17.483 1.00 10.00 H new ATOM 0 HA SER A 61 -1.264 -6.957 15.629 1.00 10.00 H new ATOM 0 HB2 SER A 61 -1.827 -9.235 16.460 1.00 10.00 H new ATOM 0 HB3 SER A 61 -1.425 -8.080 17.716 1.00 10.00 H new ATOM 0 HG SER A 61 -3.496 -8.016 18.383 1.00 10.00 H new ATOM 943 N GLY A 62 -4.371 -7.381 14.644 1.00 10.00 N ATOM 944 CA GLY A 62 -5.165 -7.593 13.445 1.00 10.00 C ATOM 945 C GLY A 62 -4.686 -6.676 12.320 1.00 10.00 C ATOM 946 O GLY A 62 -4.381 -7.153 11.226 1.00 10.00 O ATOM 0 H GLY A 62 -4.912 -7.060 15.447 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -5.090 -8.634 13.131 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -6.216 -7.399 13.658 1.00 10.00 H new ATOM 950 N ASP A 63 -4.568 -5.375 12.597 1.00 10.00 N ATOM 951 CA ASP A 63 -4.090 -4.402 11.615 1.00 10.00 C ATOM 952 C ASP A 63 -2.673 -4.735 11.170 1.00 10.00 C ATOM 953 O ASP A 63 -2.411 -4.799 9.974 1.00 10.00 O ATOM 954 CB ASP A 63 -4.126 -2.970 12.164 1.00 10.00 C ATOM 955 CG ASP A 63 -3.525 -1.961 11.161 1.00 10.00 C ATOM 956 OD1 ASP A 63 -3.914 -1.987 9.971 1.00 10.00 O ATOM 957 OD2 ASP A 63 -2.674 -1.149 11.582 1.00 10.00 O ATOM 0 H ASP A 63 -4.800 -4.969 13.504 1.00 10.00 H new ATOM 0 HA ASP A 63 -4.764 -4.459 10.760 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -5.156 -2.692 12.388 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -3.572 -2.925 13.102 1.00 10.00 H new ATOM 962 N MET A 64 -1.768 -5.039 12.104 1.00 10.00 N ATOM 963 CA MET A 64 -0.376 -5.295 11.779 1.00 10.00 C ATOM 964 C MET A 64 -0.248 -6.504 10.861 1.00 10.00 C ATOM 965 O MET A 64 0.551 -6.458 9.930 1.00 10.00 O ATOM 966 CB MET A 64 0.461 -5.484 13.050 1.00 10.00 C ATOM 967 CG MET A 64 0.786 -4.144 13.720 1.00 10.00 C ATOM 968 SD MET A 64 1.667 -2.959 12.673 1.00 10.00 S ATOM 969 CE MET A 64 0.569 -1.540 12.893 1.00 10.00 C ATOM 0 H MET A 64 -1.985 -5.113 13.098 1.00 10.00 H new ATOM 0 HA MET A 64 0.011 -4.424 11.250 1.00 10.00 H new ATOM 0 HB2 MET A 64 -0.080 -6.119 13.751 1.00 10.00 H new ATOM 0 HB3 MET A 64 1.388 -6.001 12.802 1.00 10.00 H new ATOM 0 HG2 MET A 64 -0.145 -3.687 14.055 1.00 10.00 H new ATOM 0 HG3 MET A 64 1.386 -4.336 14.610 1.00 10.00 H new ATOM 0 HE1 MET A 64 0.807 -0.778 12.151 1.00 10.00 H new ATOM 0 HE2 MET A 64 -0.466 -1.858 12.768 1.00 10.00 H new ATOM 0 HE3 MET A 64 0.703 -1.128 13.893 1.00 10.00 H new ATOM 979 N GLN A 65 -1.056 -7.549 11.051 1.00 10.00 N ATOM 980 CA GLN A 65 -1.039 -8.693 10.150 1.00 10.00 C ATOM 981 C GLN A 65 -1.501 -8.296 8.744 1.00 10.00 C ATOM 982 O GLN A 65 -0.948 -8.796 7.764 1.00 10.00 O ATOM 983 CB GLN A 65 -1.895 -9.818 10.740 1.00 10.00 C ATOM 984 CG GLN A 65 -1.150 -10.499 11.898 1.00 10.00 C ATOM 985 CD GLN A 65 -2.062 -11.447 12.675 1.00 10.00 C ATOM 986 OE1 GLN A 65 -2.072 -12.654 12.468 1.00 10.00 O ATOM 987 NE2 GLN A 65 -2.875 -10.900 13.566 1.00 10.00 N ATOM 0 H GLN A 65 -1.725 -7.623 11.817 1.00 10.00 H new ATOM 0 HA GLN A 65 -0.016 -9.057 10.049 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.844 -9.415 11.095 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -2.129 -10.551 9.967 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -0.297 -11.054 11.506 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -0.754 -9.740 12.573 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -2.853 -9.893 13.726 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -3.523 -11.486 14.093 1.00 10.00 H new ATOM 996 N LYS A 66 -2.479 -7.385 8.621 1.00 10.00 N ATOM 997 CA LYS A 66 -2.875 -6.835 7.324 1.00 10.00 C ATOM 998 C LYS A 66 -1.754 -5.983 6.714 1.00 10.00 C ATOM 999 O LYS A 66 -1.632 -5.980 5.490 1.00 10.00 O ATOM 1000 CB LYS A 66 -4.181 -6.026 7.433 1.00 10.00 C ATOM 1001 CG LYS A 66 -5.384 -6.901 7.824 1.00 10.00 C ATOM 1002 CD LYS A 66 -6.658 -6.082 8.095 1.00 10.00 C ATOM 1003 CE LYS A 66 -7.170 -5.268 6.893 1.00 10.00 C ATOM 1004 NZ LYS A 66 -7.651 -6.119 5.773 1.00 10.00 N ATOM 0 H LYS A 66 -3.009 -7.015 9.410 1.00 10.00 H new ATOM 0 HA LYS A 66 -3.058 -7.677 6.656 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.055 -5.236 8.173 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -4.384 -5.540 6.479 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -5.581 -7.616 7.026 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -5.133 -7.478 8.714 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -7.447 -6.761 8.419 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -6.465 -5.399 8.922 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -7.981 -4.618 7.221 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -6.370 -4.622 6.532 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -7.982 -5.514 4.995 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -6.873 -6.722 5.436 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -8.434 -6.718 6.104 1.00 10.00 H new ATOM 1018 N GLN A 67 -0.969 -5.273 7.528 1.00 10.00 N ATOM 1019 CA GLN A 67 0.153 -4.479 7.032 1.00 10.00 C ATOM 1020 C GLN A 67 1.243 -5.411 6.497 1.00 10.00 C ATOM 1021 O GLN A 67 1.689 -5.282 5.356 1.00 10.00 O ATOM 1022 CB GLN A 67 0.740 -3.544 8.116 1.00 10.00 C ATOM 1023 CG GLN A 67 -0.224 -2.499 8.705 1.00 10.00 C ATOM 1024 CD GLN A 67 -0.889 -1.593 7.668 1.00 10.00 C ATOM 1025 OE1 GLN A 67 -0.276 -1.188 6.685 1.00 10.00 O ATOM 1026 NE2 GLN A 67 -2.157 -1.265 7.853 1.00 10.00 N ATOM 0 H GLN A 67 -1.093 -5.233 8.540 1.00 10.00 H new ATOM 0 HA GLN A 67 -0.223 -3.843 6.230 1.00 10.00 H new ATOM 0 HB2 GLN A 67 1.118 -4.160 8.932 1.00 10.00 H new ATOM 0 HB3 GLN A 67 1.595 -3.020 7.690 1.00 10.00 H new ATOM 0 HG2 GLN A 67 -1.001 -3.017 9.268 1.00 10.00 H new ATOM 0 HG3 GLN A 67 0.323 -1.878 9.414 1.00 10.00 H new ATOM 0 HE21 GLN A 67 -2.658 -1.607 8.673 1.00 10.00 H new ATOM 0 HE22 GLN A 67 -2.634 -0.670 7.175 1.00 10.00 H new ATOM 1035 N GLY A 68 1.676 -6.351 7.339 1.00 10.00 N ATOM 1036 CA GLY A 68 2.819 -7.223 7.115 1.00 10.00 C ATOM 1037 C GLY A 68 3.754 -7.204 8.325 1.00 10.00 C ATOM 1038 O GLY A 68 4.963 -7.062 8.143 1.00 10.00 O ATOM 0 H GLY A 68 1.217 -6.529 8.232 1.00 10.00 H new ATOM 0 HA2 GLY A 68 2.476 -8.241 6.929 1.00 10.00 H new ATOM 0 HA3 GLY A 68 3.360 -6.901 6.225 1.00 10.00 H new ATOM 1042 N CYS A 69 3.211 -7.276 9.543 1.00 10.00 N ATOM 1043 CA CYS A 69 3.922 -7.185 10.807 1.00 10.00 C ATOM 1044 C CYS A 69 3.249 -8.117 11.830 1.00 10.00 C ATOM 1045 O CYS A 69 2.154 -8.622 11.591 1.00 10.00 O ATOM 1046 CB CYS A 69 3.866 -5.730 11.304 1.00 10.00 C ATOM 1047 SG CYS A 69 4.889 -4.618 10.299 1.00 10.00 S ATOM 0 H CYS A 69 2.208 -7.407 9.673 1.00 10.00 H new ATOM 0 HA CYS A 69 4.962 -7.485 10.680 1.00 10.00 H new ATOM 0 HB2 CYS A 69 2.833 -5.383 11.288 1.00 10.00 H new ATOM 0 HB3 CYS A 69 4.200 -5.690 12.341 1.00 10.00 H new ATOM 0 HG CYS A 69 5.272 -5.236 9.221 1.00 10.00 H new ATOM 1053 N ASP A 70 3.873 -8.288 12.994 1.00 10.00 N ATOM 1054 CA ASP A 70 3.343 -9.035 14.143 1.00 10.00 C ATOM 1055 C ASP A 70 3.686 -8.273 15.424 1.00 10.00 C ATOM 1056 O ASP A 70 4.583 -7.424 15.397 1.00 10.00 O ATOM 1057 CB ASP A 70 3.937 -10.453 14.178 1.00 10.00 C ATOM 1058 CG ASP A 70 3.402 -11.300 15.349 1.00 10.00 C ATOM 1059 OD1 ASP A 70 2.198 -11.174 15.666 1.00 10.00 O ATOM 1060 OD2 ASP A 70 4.196 -12.069 15.925 1.00 10.00 O ATOM 0 H ASP A 70 4.798 -7.897 13.174 1.00 10.00 H new ATOM 0 HA ASP A 70 2.261 -9.129 14.056 1.00 10.00 H new ATOM 0 HB2 ASP A 70 3.713 -10.958 13.239 1.00 10.00 H new ATOM 0 HB3 ASP A 70 5.022 -10.385 14.252 1.00 10.00 H new ATOM 1065 N CYS A 71 2.997 -8.538 16.538 1.00 10.00 N ATOM 1066 CA CYS A 71 3.036 -7.733 17.753 1.00 10.00 C ATOM 1067 C CYS A 71 3.344 -8.556 19.005 1.00 10.00 C ATOM 1068 O CYS A 71 2.980 -9.722 19.108 1.00 10.00 O ATOM 1069 CB CYS A 71 1.656 -7.098 17.959 1.00 10.00 C ATOM 1070 SG CYS A 71 1.202 -6.016 16.589 1.00 10.00 S ATOM 0 H CYS A 71 2.378 -9.345 16.617 1.00 10.00 H new ATOM 0 HA CYS A 71 3.828 -6.995 17.623 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.907 -7.883 18.065 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.654 -6.528 18.888 1.00 10.00 H new ATOM 0 HG CYS A 71 2.159 -6.005 15.709 1.00 10.00 H new ATOM 1076 N GLU A 72 3.845 -7.870 20.031 1.00 10.00 N ATOM 1077 CA GLU A 72 4.115 -8.377 21.363 1.00 10.00 C ATOM 1078 C GLU A 72 3.825 -7.223 22.329 1.00 10.00 C ATOM 1079 O GLU A 72 4.500 -6.193 22.294 1.00 10.00 O ATOM 1080 CB GLU A 72 5.584 -8.827 21.416 1.00 10.00 C ATOM 1081 CG GLU A 72 6.034 -9.228 22.825 1.00 10.00 C ATOM 1082 CD GLU A 72 7.506 -9.668 22.827 1.00 10.00 C ATOM 1083 OE1 GLU A 72 8.386 -8.798 22.592 1.00 10.00 O ATOM 1084 OE2 GLU A 72 7.790 -10.853 23.088 1.00 10.00 O ATOM 0 H GLU A 72 4.086 -6.883 19.942 1.00 10.00 H new ATOM 0 HA GLU A 72 3.500 -9.236 21.632 1.00 10.00 H new ATOM 0 HB2 GLU A 72 5.725 -9.671 20.741 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.220 -8.019 21.053 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.901 -8.388 23.506 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.407 -10.040 23.194 1.00 10.00 H new ATOM 1091 N CYS A 73 2.779 -7.330 23.148 1.00 10.00 N ATOM 1092 CA CYS A 73 2.528 -6.375 24.220 1.00 10.00 C ATOM 1093 C CYS A 73 3.687 -6.445 25.226 1.00 10.00 C ATOM 1094 O CYS A 73 3.910 -7.486 25.836 1.00 10.00 O ATOM 1095 CB CYS A 73 1.162 -6.664 24.871 1.00 10.00 C ATOM 1096 SG CYS A 73 0.823 -8.446 25.027 1.00 10.00 S ATOM 0 H CYS A 73 2.087 -8.077 23.086 1.00 10.00 H new ATOM 0 HA CYS A 73 2.482 -5.359 23.829 1.00 10.00 H new ATOM 0 HB2 CYS A 73 1.130 -6.204 25.859 1.00 10.00 H new ATOM 0 HB3 CYS A 73 0.375 -6.199 24.277 1.00 10.00 H new ATOM 0 HG CYS A 73 -0.116 -8.634 25.906 1.00 10.00 H new ATOM 1102 N LEU A 74 4.409 -5.336 25.415 1.00 10.00 N ATOM 1103 CA LEU A 74 5.448 -5.248 26.445 1.00 10.00 C ATOM 1104 C LEU A 74 4.815 -4.967 27.811 1.00 10.00 C ATOM 1105 O LEU A 74 5.356 -5.352 28.840 1.00 10.00 O ATOM 1106 CB LEU A 74 6.471 -4.143 26.112 1.00 10.00 C ATOM 1107 CG LEU A 74 7.304 -4.377 24.835 1.00 10.00 C ATOM 1108 CD1 LEU A 74 8.347 -3.260 24.711 1.00 10.00 C ATOM 1109 CD2 LEU A 74 8.019 -5.733 24.826 1.00 10.00 C ATOM 0 H LEU A 74 4.292 -4.484 24.866 1.00 10.00 H new ATOM 0 HA LEU A 74 5.970 -6.204 26.475 1.00 10.00 H new ATOM 0 HB2 LEU A 74 5.939 -3.197 26.010 1.00 10.00 H new ATOM 0 HB3 LEU A 74 7.153 -4.036 26.956 1.00 10.00 H new ATOM 0 HG LEU A 74 6.614 -4.372 23.992 1.00 10.00 H new ATOM 0 HD11 LEU A 74 8.942 -3.416 23.811 1.00 10.00 H new ATOM 0 HD12 LEU A 74 7.842 -2.296 24.650 1.00 10.00 H new ATOM 0 HD13 LEU A 74 9.000 -3.273 25.584 1.00 10.00 H new ATOM 0 HD21 LEU A 74 8.588 -5.838 23.902 1.00 10.00 H new ATOM 0 HD22 LEU A 74 8.696 -5.793 25.678 1.00 10.00 H new ATOM 0 HD23 LEU A 74 7.282 -6.533 24.891 1.00 10.00 H new ATOM 1121 N GLY A 75 3.666 -4.284 27.816 1.00 10.00 N ATOM 1122 CA GLY A 75 2.948 -3.856 29.002 1.00 10.00 C ATOM 1123 C GLY A 75 1.929 -2.805 28.586 1.00 10.00 C ATOM 1124 O GLY A 75 1.817 -2.475 27.404 1.00 10.00 O ATOM 0 H GLY A 75 3.198 -4.007 26.953 1.00 10.00 H new ATOM 0 HA2 GLY A 75 2.450 -4.704 29.472 1.00 10.00 H new ATOM 0 HA3 GLY A 75 3.639 -3.445 29.738 1.00 10.00 H new ATOM 1128 N GLY A 76 1.181 -2.253 29.531 1.00 10.00 N ATOM 1129 CA GLY A 76 0.251 -1.170 29.246 1.00 10.00 C ATOM 1130 C GLY A 76 -0.041 -0.364 30.500 1.00 10.00 C ATOM 1131 O GLY A 76 0.617 -0.535 31.530 1.00 10.00 O ATOM 0 H GLY A 76 1.201 -2.541 30.509 1.00 10.00 H new ATOM 0 HA2 GLY A 76 0.669 -0.518 28.479 1.00 10.00 H new ATOM 0 HA3 GLY A 76 -0.677 -1.578 28.846 1.00 10.00 H new ATOM 1135 N GLY A 77 -1.044 0.497 30.408 1.00 10.00 N ATOM 1136 CA GLY A 77 -1.406 1.442 31.440 1.00 10.00 C ATOM 1137 C GLY A 77 -2.642 2.195 30.986 1.00 10.00 C ATOM 1138 O GLY A 77 -3.466 1.678 30.219 1.00 10.00 O ATOM 0 H GLY A 77 -1.644 0.554 29.585 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.601 0.923 32.378 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -0.585 2.136 31.624 1.00 10.00 H new ATOM 1142 N ARG A 78 -2.790 3.426 31.450 1.00 10.00 N ATOM 1143 CA ARG A 78 -3.837 4.328 30.998 1.00 10.00 C ATOM 1144 C ARG A 78 -3.284 5.744 30.967 1.00 10.00 C ATOM 1145 O ARG A 78 -2.204 6.011 31.486 1.00 10.00 O ATOM 1146 CB ARG A 78 -5.120 4.171 31.838 1.00 10.00 C ATOM 1147 CG ARG A 78 -4.966 4.190 33.369 1.00 10.00 C ATOM 1148 CD ARG A 78 -6.371 4.097 33.981 1.00 10.00 C ATOM 1149 NE ARG A 78 -6.373 4.104 35.450 1.00 10.00 N ATOM 1150 CZ ARG A 78 -7.433 4.331 36.231 1.00 10.00 C ATOM 1151 NH1 ARG A 78 -8.649 4.517 35.696 1.00 10.00 N ATOM 1152 NH2 ARG A 78 -7.284 4.392 37.543 1.00 10.00 N ATOM 0 H ARG A 78 -2.179 3.831 32.159 1.00 10.00 H new ATOM 0 HA ARG A 78 -4.143 4.074 29.983 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -5.807 4.970 31.558 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -5.594 3.230 31.558 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -4.348 3.356 33.702 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -4.468 5.104 33.692 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -6.971 4.933 33.621 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -6.852 3.184 33.629 1.00 10.00 H new ATOM 0 HE ARG A 78 -5.485 3.919 35.916 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -8.771 4.486 34.684 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -9.452 4.690 36.301 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -6.361 4.266 37.958 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -8.092 4.565 38.141 1.00 10.00 H new ATOM 1166 N ILE A 79 -3.994 6.641 30.305 1.00 10.00 N ATOM 1167 CA ILE A 79 -3.610 8.027 30.111 1.00 10.00 C ATOM 1168 C ILE A 79 -4.871 8.828 30.417 1.00 10.00 C ATOM 1169 O ILE A 79 -5.981 8.315 30.269 1.00 10.00 O ATOM 1170 CB ILE A 79 -3.067 8.258 28.674 1.00 10.00 C ATOM 1171 CG1 ILE A 79 -2.009 7.193 28.284 1.00 10.00 C ATOM 1172 CG2 ILE A 79 -2.504 9.688 28.522 1.00 10.00 C ATOM 1173 CD1 ILE A 79 -1.285 7.406 26.947 1.00 10.00 C ATOM 0 H ILE A 79 -4.889 6.414 29.871 1.00 10.00 H new ATOM 0 HA ILE A 79 -2.792 8.337 30.762 1.00 10.00 H new ATOM 0 HB ILE A 79 -3.904 8.149 27.984 1.00 10.00 H new ATOM 0 HG12 ILE A 79 -1.260 7.150 29.075 1.00 10.00 H new ATOM 0 HG13 ILE A 79 -2.499 6.220 28.256 1.00 10.00 H new ATOM 0 HG21 ILE A 79 -2.130 9.826 27.508 1.00 10.00 H new ATOM 0 HG22 ILE A 79 -3.294 10.413 28.719 1.00 10.00 H new ATOM 0 HG23 ILE A 79 -1.690 9.836 29.232 1.00 10.00 H new ATOM 0 HD11 ILE A 79 -0.572 6.598 26.787 1.00 10.00 H new ATOM 0 HD12 ILE A 79 -2.013 7.413 26.136 1.00 10.00 H new ATOM 0 HD13 ILE A 79 -0.755 8.358 26.968 1.00 10.00 H new ATOM 1185 N SER A 80 -4.717 10.063 30.883 1.00 10.00 N ATOM 1186 CA SER A 80 -5.822 10.959 31.161 1.00 10.00 C ATOM 1187 C SER A 80 -5.501 12.309 30.536 1.00 10.00 C ATOM 1188 O SER A 80 -4.487 12.924 30.872 1.00 10.00 O ATOM 1189 CB SER A 80 -6.080 11.024 32.673 1.00 10.00 C ATOM 1190 OG SER A 80 -4.893 11.203 33.432 1.00 10.00 O ATOM 0 H SER A 80 -3.803 10.472 31.080 1.00 10.00 H new ATOM 0 HA SER A 80 -6.752 10.600 30.720 1.00 10.00 H new ATOM 0 HB2 SER A 80 -6.766 11.844 32.884 1.00 10.00 H new ATOM 0 HB3 SER A 80 -6.573 10.106 32.992 1.00 10.00 H new ATOM 0 HG SER A 80 -4.622 10.346 33.823 1.00 10.00 H new ATOM 1196 N HIS A 81 -6.333 12.753 29.597 1.00 10.00 N ATOM 1197 CA HIS A 81 -6.292 14.112 29.086 1.00 10.00 C ATOM 1198 C HIS A 81 -6.986 14.978 30.132 1.00 10.00 C ATOM 1199 O HIS A 81 -8.211 15.094 30.122 1.00 10.00 O ATOM 1200 CB HIS A 81 -6.956 14.190 27.700 1.00 10.00 C ATOM 1201 CG HIS A 81 -6.940 15.588 27.130 1.00 10.00 C ATOM 1202 ND1 HIS A 81 -5.928 16.157 26.387 1.00 10.00 N ATOM 1203 CD2 HIS A 81 -7.906 16.546 27.294 1.00 10.00 C ATOM 1204 CE1 HIS A 81 -6.283 17.423 26.110 1.00 10.00 C ATOM 1205 NE2 HIS A 81 -7.471 17.718 26.662 1.00 10.00 N ATOM 0 H HIS A 81 -7.056 12.174 29.170 1.00 10.00 H new ATOM 0 HA HIS A 81 -5.272 14.465 28.933 1.00 10.00 H new ATOM 0 HB2 HIS A 81 -6.441 13.516 27.015 1.00 10.00 H new ATOM 0 HB3 HIS A 81 -7.987 13.843 27.774 1.00 10.00 H new ATOM 0 HD2 HIS A 81 -8.841 16.419 27.820 1.00 10.00 H new ATOM 0 HE1 HIS A 81 -5.692 18.111 25.523 1.00 10.00 H new ATOM 0 HE2 HIS A 81 -7.958 18.614 26.628 1.00 10.00 H new ATOM 1213 N GLN A 82 -6.223 15.515 31.084 1.00 10.00 N ATOM 1214 CA GLN A 82 -6.759 16.275 32.209 1.00 10.00 C ATOM 1215 C GLN A 82 -7.014 17.723 31.767 1.00 10.00 C ATOM 1216 O GLN A 82 -6.354 18.663 32.217 1.00 10.00 O ATOM 1217 CB GLN A 82 -5.846 16.134 33.437 1.00 10.00 C ATOM 1218 CG GLN A 82 -5.696 14.669 33.885 1.00 10.00 C ATOM 1219 CD GLN A 82 -4.882 14.483 35.168 1.00 10.00 C ATOM 1220 OE1 GLN A 82 -4.720 15.382 35.986 1.00 10.00 O ATOM 1221 NE2 GLN A 82 -4.349 13.288 35.378 1.00 10.00 N ATOM 0 H GLN A 82 -5.206 15.433 31.094 1.00 10.00 H new ATOM 0 HA GLN A 82 -7.723 15.874 32.523 1.00 10.00 H new ATOM 0 HB2 GLN A 82 -4.863 16.544 33.206 1.00 10.00 H new ATOM 0 HB3 GLN A 82 -6.252 16.724 34.259 1.00 10.00 H new ATOM 0 HG2 GLN A 82 -6.688 14.243 34.033 1.00 10.00 H new ATOM 0 HG3 GLN A 82 -5.223 14.103 33.083 1.00 10.00 H new ATOM 0 HE21 GLN A 82 -4.485 12.542 34.696 1.00 10.00 H new ATOM 0 HE22 GLN A 82 -3.803 13.114 36.222 1.00 10.00 H new ATOM 1230 N SER A 83 -7.940 17.868 30.812 1.00 10.00 N ATOM 1231 CA SER A 83 -8.432 19.117 30.234 1.00 10.00 C ATOM 1232 C SER A 83 -7.310 20.073 29.798 1.00 10.00 C ATOM 1233 O SER A 83 -7.484 21.286 29.879 1.00 10.00 O ATOM 1234 CB SER A 83 -9.431 19.758 31.214 1.00 10.00 C ATOM 1235 OG SER A 83 -10.420 18.826 31.627 1.00 10.00 O ATOM 0 H SER A 83 -8.395 17.056 30.396 1.00 10.00 H new ATOM 0 HA SER A 83 -8.951 18.888 29.303 1.00 10.00 H new ATOM 0 HB2 SER A 83 -8.897 20.135 32.086 1.00 10.00 H new ATOM 0 HB3 SER A 83 -9.911 20.614 30.739 1.00 10.00 H new ATOM 0 HG SER A 83 -11.039 19.261 32.250 1.00 10.00 H new ATOM 1241 N GLN A 84 -6.170 19.518 29.358 1.00 10.00 N ATOM 1242 CA GLN A 84 -4.861 20.126 29.080 1.00 10.00 C ATOM 1243 C GLN A 84 -4.247 20.994 30.196 1.00 10.00 C ATOM 1244 O GLN A 84 -3.021 21.025 30.301 1.00 10.00 O ATOM 1245 CB GLN A 84 -4.800 20.786 27.686 1.00 10.00 C ATOM 1246 CG GLN A 84 -5.747 21.976 27.456 1.00 10.00 C ATOM 1247 CD GLN A 84 -5.423 22.700 26.148 1.00 10.00 C ATOM 1248 OE1 GLN A 84 -4.930 23.819 26.155 1.00 10.00 O ATOM 1249 NE2 GLN A 84 -5.683 22.068 25.010 1.00 10.00 N ATOM 0 H GLN A 84 -6.142 18.516 29.167 1.00 10.00 H new ATOM 0 HA GLN A 84 -4.188 19.268 29.065 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -3.778 21.122 27.511 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -5.018 20.025 26.937 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -6.778 21.624 27.433 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -5.667 22.674 28.290 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -6.094 21.135 25.027 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -5.471 22.516 24.118 1.00 10.00 H new ATOM 1258 N ASP A 85 -5.046 21.593 31.079 1.00 10.00 N ATOM 1259 CA ASP A 85 -4.606 22.369 32.244 1.00 10.00 C ATOM 1260 C ASP A 85 -3.694 21.558 33.166 1.00 10.00 C ATOM 1261 O ASP A 85 -2.777 22.102 33.775 1.00 10.00 O ATOM 1262 CB ASP A 85 -5.834 22.851 33.029 1.00 10.00 C ATOM 1263 CG ASP A 85 -5.438 23.608 34.312 1.00 10.00 C ATOM 1264 OD1 ASP A 85 -4.917 24.733 34.195 1.00 10.00 O ATOM 1265 OD2 ASP A 85 -5.717 23.077 35.422 1.00 10.00 O ATOM 0 H ASP A 85 -6.062 21.550 31.001 1.00 10.00 H new ATOM 0 HA ASP A 85 -4.031 23.220 31.878 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.437 23.502 32.396 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.456 21.995 33.290 1.00 10.00 H new ATOM 1270 N LYS A 86 -3.892 20.230 33.214 1.00 10.00 N ATOM 1271 CA LYS A 86 -3.079 19.301 34.004 1.00 10.00 C ATOM 1272 C LYS A 86 -2.505 18.201 33.104 1.00 10.00 C ATOM 1273 O LYS A 86 -2.257 17.097 33.578 1.00 10.00 O ATOM 1274 CB LYS A 86 -3.887 18.789 35.213 1.00 10.00 C ATOM 1275 CG LYS A 86 -4.304 19.938 36.144 1.00 10.00 C ATOM 1276 CD LYS A 86 -5.109 19.452 37.356 1.00 10.00 C ATOM 1277 CE LYS A 86 -5.500 20.621 38.275 1.00 10.00 C ATOM 1278 NZ LYS A 86 -6.443 21.579 37.643 1.00 10.00 N ATOM 0 H LYS A 86 -4.637 19.767 32.693 1.00 10.00 H new ATOM 0 HA LYS A 86 -2.213 19.812 34.424 1.00 10.00 H new ATOM 0 HB2 LYS A 86 -4.775 18.265 34.861 1.00 10.00 H new ATOM 0 HB3 LYS A 86 -3.290 18.067 35.770 1.00 10.00 H new ATOM 0 HG2 LYS A 86 -3.413 20.462 36.490 1.00 10.00 H new ATOM 0 HG3 LYS A 86 -4.899 20.658 35.582 1.00 10.00 H new ATOM 0 HD2 LYS A 86 -6.008 18.939 37.015 1.00 10.00 H new ATOM 0 HD3 LYS A 86 -4.521 18.726 37.918 1.00 10.00 H new ATOM 0 HE2 LYS A 86 -5.952 20.223 39.184 1.00 10.00 H new ATOM 0 HE3 LYS A 86 -4.598 21.155 38.575 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 -6.705 22.313 38.331 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 -5.988 22.023 36.820 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 -7.298 21.073 37.335 1.00 10.00 H new ATOM 1292 N LYS A 87 -2.223 18.547 31.837 1.00 10.00 N ATOM 1293 CA LYS A 87 -1.539 17.768 30.795 1.00 10.00 C ATOM 1294 C LYS A 87 -2.144 16.381 30.509 1.00 10.00 C ATOM 1295 O LYS A 87 -3.186 16.010 31.045 1.00 10.00 O ATOM 1296 CB LYS A 87 0.003 17.861 30.977 1.00 10.00 C ATOM 1297 CG LYS A 87 0.843 16.628 31.383 1.00 10.00 C ATOM 1298 CD LYS A 87 0.491 15.929 32.699 1.00 10.00 C ATOM 1299 CE LYS A 87 0.736 16.794 33.948 1.00 10.00 C ATOM 1300 NZ LYS A 87 2.178 16.996 34.241 1.00 10.00 N ATOM 0 H LYS A 87 -2.494 19.465 31.485 1.00 10.00 H new ATOM 0 HA LYS A 87 -1.739 18.236 29.831 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.412 18.227 30.035 1.00 10.00 H new ATOM 0 HB3 LYS A 87 0.188 18.631 31.726 1.00 10.00 H new ATOM 0 HG2 LYS A 87 0.768 15.893 30.582 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.887 16.936 31.436 1.00 10.00 H new ATOM 0 HD2 LYS A 87 -0.558 15.634 32.673 1.00 10.00 H new ATOM 0 HD3 LYS A 87 1.078 15.014 32.782 1.00 10.00 H new ATOM 0 HE2 LYS A 87 0.260 17.765 33.810 1.00 10.00 H new ATOM 0 HE3 LYS A 87 0.259 16.324 34.808 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 2.286 17.390 35.197 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 2.675 16.084 34.184 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 2.584 17.656 33.547 1.00 10.00 H new ATOM 1314 N ILE A 88 -1.536 15.654 29.567 1.00 10.00 N ATOM 1315 CA ILE A 88 -1.821 14.248 29.317 1.00 10.00 C ATOM 1316 C ILE A 88 -0.933 13.438 30.269 1.00 10.00 C ATOM 1317 O ILE A 88 0.278 13.348 30.070 1.00 10.00 O ATOM 1318 CB ILE A 88 -1.653 13.878 27.820 1.00 10.00 C ATOM 1319 CG1 ILE A 88 -0.408 14.493 27.136 1.00 10.00 C ATOM 1320 CG2 ILE A 88 -2.937 14.289 27.073 1.00 10.00 C ATOM 1321 CD1 ILE A 88 -0.161 13.953 25.721 1.00 10.00 C ATOM 0 H ILE A 88 -0.821 16.037 28.949 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.866 14.013 29.521 1.00 10.00 H new ATOM 0 HB ILE A 88 -1.489 12.801 27.774 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -0.526 15.575 27.088 1.00 10.00 H new ATOM 0 HG13 ILE A 88 0.470 14.295 27.751 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -2.840 14.037 26.017 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -3.790 13.758 27.496 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -3.091 15.363 27.177 1.00 10.00 H new ATOM 0 HD11 ILE A 88 0.726 14.426 25.301 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -0.011 12.874 25.764 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -1.023 14.174 25.091 1.00 10.00 H new ATOM 1333 N HIS A 89 -1.510 12.924 31.356 1.00 10.00 N ATOM 1334 CA HIS A 89 -0.763 12.205 32.381 1.00 10.00 C ATOM 1335 C HIS A 89 -0.949 10.713 32.146 1.00 10.00 C ATOM 1336 O HIS A 89 -2.086 10.246 32.060 1.00 10.00 O ATOM 1337 CB HIS A 89 -1.258 12.612 33.777 1.00 10.00 C ATOM 1338 CG HIS A 89 -0.223 12.420 34.861 1.00 10.00 C ATOM 1339 ND1 HIS A 89 0.449 11.261 35.189 1.00 10.00 N ATOM 1340 CD2 HIS A 89 0.229 13.395 35.710 1.00 10.00 C ATOM 1341 CE1 HIS A 89 1.281 11.539 36.205 1.00 10.00 C ATOM 1342 NE2 HIS A 89 1.200 12.837 36.543 1.00 10.00 N ATOM 0 H HIS A 89 -2.509 12.996 31.548 1.00 10.00 H new ATOM 0 HA HIS A 89 0.297 12.451 32.324 1.00 10.00 H new ATOM 0 HB2 HIS A 89 -1.561 13.659 33.756 1.00 10.00 H new ATOM 0 HB3 HIS A 89 -2.145 12.028 34.024 1.00 10.00 H new ATOM 0 HD1 HIS A 89 0.334 10.353 34.739 1.00 10.00 H new ATOM 0 HD2 HIS A 89 -0.108 14.421 35.731 1.00 10.00 H new ATOM 0 HE1 HIS A 89 1.927 10.818 36.685 1.00 10.00 H new ATOM 1350 N VAL A 90 0.141 9.957 32.047 1.00 10.00 N ATOM 1351 CA VAL A 90 0.112 8.505 31.948 1.00 10.00 C ATOM 1352 C VAL A 90 0.100 7.966 33.386 1.00 10.00 C ATOM 1353 O VAL A 90 0.705 8.577 34.274 1.00 10.00 O ATOM 1354 CB VAL A 90 1.328 8.037 31.122 1.00 10.00 C ATOM 1355 CG1 VAL A 90 1.330 6.522 30.909 1.00 10.00 C ATOM 1356 CG2 VAL A 90 1.388 8.723 29.743 1.00 10.00 C ATOM 0 H VAL A 90 1.084 10.345 32.033 1.00 10.00 H new ATOM 0 HA VAL A 90 -0.770 8.127 31.431 1.00 10.00 H new ATOM 0 HB VAL A 90 2.204 8.320 31.706 1.00 10.00 H new ATOM 0 HG11 VAL A 90 2.204 6.238 30.323 1.00 10.00 H new ATOM 0 HG12 VAL A 90 1.362 6.019 31.875 1.00 10.00 H new ATOM 0 HG13 VAL A 90 0.425 6.228 30.377 1.00 10.00 H new ATOM 0 HG21 VAL A 90 2.260 8.364 29.196 1.00 10.00 H new ATOM 0 HG22 VAL A 90 0.484 8.489 29.180 1.00 10.00 H new ATOM 0 HG23 VAL A 90 1.463 9.802 29.876 1.00 10.00 H new ATOM 1366 N TYR A 91 -0.585 6.859 33.648 1.00 10.00 N ATOM 1367 CA TYR A 91 -0.668 6.255 34.969 1.00 10.00 C ATOM 1368 C TYR A 91 -1.125 4.799 34.856 1.00 10.00 C ATOM 1369 O TYR A 91 -1.391 4.307 33.757 1.00 10.00 O ATOM 1370 CB TYR A 91 -1.553 7.099 35.913 1.00 10.00 C ATOM 1371 CG TYR A 91 -3.049 7.192 35.636 1.00 10.00 C ATOM 1372 CD1 TYR A 91 -3.549 7.680 34.408 1.00 10.00 C ATOM 1373 CD2 TYR A 91 -3.953 6.888 36.674 1.00 10.00 C ATOM 1374 CE1 TYR A 91 -4.933 7.833 34.214 1.00 10.00 C ATOM 1375 CE2 TYR A 91 -5.334 7.082 36.502 1.00 10.00 C ATOM 1376 CZ TYR A 91 -5.831 7.553 35.268 1.00 10.00 C ATOM 1377 OH TYR A 91 -7.168 7.741 35.088 1.00 10.00 O ATOM 0 H TYR A 91 -1.106 6.349 32.935 1.00 10.00 H new ATOM 0 HA TYR A 91 0.324 6.243 35.421 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -1.429 6.704 36.921 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -1.155 8.114 35.917 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -2.864 7.937 33.614 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -3.580 6.502 37.611 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -5.310 8.165 33.258 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -6.015 6.871 37.314 1.00 10.00 H new ATOM 0 HH TYR A 91 -7.646 7.501 35.909 1.00 10.00 H new ATOM 1387 N GLY A 92 -1.225 4.102 35.985 1.00 10.00 N ATOM 1388 CA GLY A 92 -1.797 2.767 36.029 1.00 10.00 C ATOM 1389 C GLY A 92 -0.837 1.694 35.534 1.00 10.00 C ATOM 1390 O GLY A 92 0.385 1.852 35.589 1.00 10.00 O ATOM 0 H GLY A 92 -0.911 4.449 36.891 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -2.093 2.538 37.053 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -2.702 2.745 35.422 1.00 10.00 H new ATOM 1394 N TYR A 93 -1.415 0.563 35.125 1.00 10.00 N ATOM 1395 CA TYR A 93 -0.742 -0.604 34.569 1.00 10.00 C ATOM 1396 C TYR A 93 -1.781 -1.400 33.769 1.00 10.00 C ATOM 1397 O TYR A 93 -2.982 -1.247 34.006 1.00 10.00 O ATOM 1398 CB TYR A 93 -0.142 -1.461 35.697 1.00 10.00 C ATOM 1399 CG TYR A 93 -1.081 -1.819 36.839 1.00 10.00 C ATOM 1400 CD1 TYR A 93 -1.905 -2.958 36.750 1.00 10.00 C ATOM 1401 CD2 TYR A 93 -1.111 -1.030 38.006 1.00 10.00 C ATOM 1402 CE1 TYR A 93 -2.757 -3.305 37.813 1.00 10.00 C ATOM 1403 CE2 TYR A 93 -1.951 -1.378 39.080 1.00 10.00 C ATOM 1404 CZ TYR A 93 -2.781 -2.520 38.988 1.00 10.00 C ATOM 1405 OH TYR A 93 -3.597 -2.877 40.020 1.00 10.00 O ATOM 0 H TYR A 93 -2.425 0.433 35.178 1.00 10.00 H new ATOM 0 HA TYR A 93 0.079 -0.302 33.919 1.00 10.00 H new ATOM 0 HB2 TYR A 93 0.236 -2.386 35.261 1.00 10.00 H new ATOM 0 HB3 TYR A 93 0.715 -0.931 36.112 1.00 10.00 H new ATOM 0 HD1 TYR A 93 -1.882 -3.569 35.859 1.00 10.00 H new ATOM 0 HD2 TYR A 93 -0.485 -0.153 38.077 1.00 10.00 H new ATOM 0 HE1 TYR A 93 -3.394 -4.173 37.732 1.00 10.00 H new ATOM 0 HE2 TYR A 93 -1.962 -0.773 39.975 1.00 10.00 H new ATOM 0 HH TYR A 93 -3.496 -2.236 40.754 1.00 10.00 H new ATOM 1415 N SER A 94 -1.358 -2.239 32.818 1.00 10.00 N ATOM 1416 CA SER A 94 -2.277 -3.146 32.144 1.00 10.00 C ATOM 1417 C SER A 94 -2.664 -4.241 33.128 1.00 10.00 C ATOM 1418 O SER A 94 -1.791 -4.864 33.729 1.00 10.00 O ATOM 1419 CB SER A 94 -1.665 -3.719 30.861 1.00 10.00 C ATOM 1420 OG SER A 94 -2.413 -4.819 30.377 1.00 10.00 O ATOM 0 H SER A 94 -0.390 -2.305 32.503 1.00 10.00 H new ATOM 0 HA SER A 94 -3.170 -2.605 31.831 1.00 10.00 H new ATOM 0 HB2 SER A 94 -1.623 -2.942 30.098 1.00 10.00 H new ATOM 0 HB3 SER A 94 -0.639 -4.032 31.054 1.00 10.00 H new ATOM 0 HG SER A 94 -2.055 -5.102 29.510 1.00 10.00 H new ATOM 1426 N MET A 95 -3.966 -4.495 33.248 1.00 10.00 N ATOM 1427 CA MET A 95 -4.460 -5.654 33.986 1.00 10.00 C ATOM 1428 C MET A 95 -4.216 -6.950 33.195 1.00 10.00 C ATOM 1429 O MET A 95 -4.242 -8.026 33.782 1.00 10.00 O ATOM 1430 CB MET A 95 -5.953 -5.476 34.304 1.00 10.00 C ATOM 1431 CG MET A 95 -6.190 -4.339 35.306 1.00 10.00 C ATOM 1432 SD MET A 95 -7.922 -4.152 35.812 1.00 10.00 S ATOM 1433 CE MET A 95 -7.727 -2.885 37.094 1.00 10.00 C ATOM 0 H MET A 95 -4.698 -3.912 32.843 1.00 10.00 H new ATOM 0 HA MET A 95 -3.912 -5.731 34.925 1.00 10.00 H new ATOM 0 HB2 MET A 95 -6.499 -5.269 33.383 1.00 10.00 H new ATOM 0 HB3 MET A 95 -6.352 -6.406 34.709 1.00 10.00 H new ATOM 0 HG2 MET A 95 -5.580 -4.516 36.192 1.00 10.00 H new ATOM 0 HG3 MET A 95 -5.848 -3.403 34.865 1.00 10.00 H new ATOM 0 HE1 MET A 95 -8.300 -3.169 37.976 1.00 10.00 H new ATOM 0 HE2 MET A 95 -6.674 -2.795 37.359 1.00 10.00 H new ATOM 0 HE3 MET A 95 -8.090 -1.928 36.718 1.00 10.00 H new ATOM 1443 N ALA A 96 -3.993 -6.855 31.873 1.00 10.00 N ATOM 1444 CA ALA A 96 -3.792 -8.019 31.019 1.00 10.00 C ATOM 1445 C ALA A 96 -2.327 -8.475 31.001 1.00 10.00 C ATOM 1446 O ALA A 96 -2.086 -9.666 30.833 1.00 10.00 O ATOM 1447 CB ALA A 96 -4.276 -7.697 29.599 1.00 10.00 C ATOM 0 H ALA A 96 -3.949 -5.966 31.375 1.00 10.00 H new ATOM 0 HA ALA A 96 -4.374 -8.845 31.427 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.127 -8.566 28.958 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -5.336 -7.443 29.625 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -3.710 -6.853 29.204 1.00 10.00 H new ATOM 1453 N TYR A 97 -1.359 -7.555 31.148 1.00 10.00 N ATOM 1454 CA TYR A 97 0.063 -7.858 30.937 1.00 10.00 C ATOM 1455 C TYR A 97 0.908 -7.418 32.133 1.00 10.00 C ATOM 1456 O TYR A 97 1.640 -8.223 32.699 1.00 10.00 O ATOM 1457 CB TYR A 97 0.582 -7.192 29.643 1.00 10.00 C ATOM 1458 CG TYR A 97 -0.399 -7.116 28.485 1.00 10.00 C ATOM 1459 CD1 TYR A 97 -1.003 -8.287 27.988 1.00 10.00 C ATOM 1460 CD2 TYR A 97 -0.742 -5.862 27.940 1.00 10.00 C ATOM 1461 CE1 TYR A 97 -1.982 -8.203 26.984 1.00 10.00 C ATOM 1462 CE2 TYR A 97 -1.728 -5.771 26.944 1.00 10.00 C ATOM 1463 CZ TYR A 97 -2.356 -6.943 26.473 1.00 10.00 C ATOM 1464 OH TYR A 97 -3.329 -6.865 25.538 1.00 10.00 O ATOM 0 H TYR A 97 -1.540 -6.587 31.415 1.00 10.00 H new ATOM 0 HA TYR A 97 0.156 -8.939 30.834 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.905 -6.179 29.885 1.00 10.00 H new ATOM 0 HB3 TYR A 97 1.465 -7.737 29.308 1.00 10.00 H new ATOM 0 HD1 TYR A 97 -0.713 -9.251 28.379 1.00 10.00 H new ATOM 0 HD2 TYR A 97 -0.245 -4.969 28.289 1.00 10.00 H new ATOM 0 HE1 TYR A 97 -2.447 -9.101 26.605 1.00 10.00 H new ATOM 0 HE2 TYR A 97 -2.004 -4.808 26.541 1.00 10.00 H new ATOM 0 HH TYR A 97 -3.637 -5.938 25.463 1.00 10.00 H new ATOM 1474 N GLY A 98 0.805 -6.143 32.523 1.00 10.00 N ATOM 1475 CA GLY A 98 1.602 -5.528 33.575 1.00 10.00 C ATOM 1476 C GLY A 98 1.877 -4.061 33.239 1.00 10.00 C ATOM 1477 O GLY A 98 1.406 -3.573 32.203 1.00 10.00 O ATOM 0 H GLY A 98 0.142 -5.495 32.098 1.00 10.00 H new ATOM 0 HA2 GLY A 98 1.077 -5.598 34.528 1.00 10.00 H new ATOM 0 HA3 GLY A 98 2.543 -6.065 33.690 1.00 10.00 H new ATOM 1481 N PRO A 99 2.599 -3.327 34.100 1.00 10.00 N ATOM 1482 CA PRO A 99 3.035 -1.964 33.815 1.00 10.00 C ATOM 1483 C PRO A 99 3.830 -1.886 32.508 1.00 10.00 C ATOM 1484 O PRO A 99 4.734 -2.688 32.286 1.00 10.00 O ATOM 1485 CB PRO A 99 3.919 -1.547 34.996 1.00 10.00 C ATOM 1486 CG PRO A 99 3.529 -2.500 36.124 1.00 10.00 C ATOM 1487 CD PRO A 99 3.105 -3.770 35.390 1.00 10.00 C ATOM 0 HA PRO A 99 2.175 -1.305 33.694 1.00 10.00 H new ATOM 0 HB2 PRO A 99 4.977 -1.636 34.750 1.00 10.00 H new ATOM 0 HB3 PRO A 99 3.743 -0.508 35.276 1.00 10.00 H new ATOM 0 HG2 PRO A 99 4.365 -2.687 36.798 1.00 10.00 H new ATOM 0 HG3 PRO A 99 2.717 -2.096 36.728 1.00 10.00 H new ATOM 0 HD2 PRO A 99 3.947 -4.451 35.268 1.00 10.00 H new ATOM 0 HD3 PRO A 99 2.338 -4.308 35.948 1.00 10.00 H new ATOM 1495 N ALA A 100 3.510 -0.909 31.658 1.00 10.00 N ATOM 1496 CA ALA A 100 4.359 -0.562 30.532 1.00 10.00 C ATOM 1497 C ALA A 100 5.631 0.088 31.070 1.00 10.00 C ATOM 1498 O ALA A 100 5.690 0.555 32.210 1.00 10.00 O ATOM 1499 CB ALA A 100 3.629 0.409 29.599 1.00 10.00 C ATOM 0 H ALA A 100 2.663 -0.345 31.734 1.00 10.00 H new ATOM 0 HA ALA A 100 4.608 -1.459 29.965 1.00 10.00 H new ATOM 0 HB1 ALA A 100 4.276 0.662 28.759 1.00 10.00 H new ATOM 0 HB2 ALA A 100 2.718 -0.059 29.227 1.00 10.00 H new ATOM 0 HB3 ALA A 100 3.374 1.317 30.146 1.00 10.00 H new ATOM 1505 N GLN A 101 6.645 0.203 30.210 1.00 10.00 N ATOM 1506 CA GLN A 101 7.826 1.003 30.473 1.00 10.00 C ATOM 1507 C GLN A 101 7.436 2.453 30.170 1.00 10.00 C ATOM 1508 O GLN A 101 7.870 3.023 29.171 1.00 10.00 O ATOM 1509 CB GLN A 101 9.018 0.485 29.650 1.00 10.00 C ATOM 1510 CG GLN A 101 9.431 -0.930 30.087 1.00 10.00 C ATOM 1511 CD GLN A 101 10.628 -1.440 29.278 1.00 10.00 C ATOM 1512 OE1 GLN A 101 10.472 -2.102 28.261 1.00 10.00 O ATOM 1513 NE2 GLN A 101 11.848 -1.122 29.703 1.00 10.00 N ATOM 0 H GLN A 101 6.662 -0.265 29.304 1.00 10.00 H new ATOM 0 HA GLN A 101 8.159 0.937 31.509 1.00 10.00 H new ATOM 0 HB2 GLN A 101 8.756 0.478 28.592 1.00 10.00 H new ATOM 0 HB3 GLN A 101 9.863 1.164 29.765 1.00 10.00 H new ATOM 0 HG2 GLN A 101 9.683 -0.926 31.148 1.00 10.00 H new ATOM 0 HG3 GLN A 101 8.589 -1.611 29.962 1.00 10.00 H new ATOM 0 HE21 GLN A 101 11.964 -0.570 30.552 1.00 10.00 H new ATOM 0 HE22 GLN A 101 12.667 -1.431 29.179 1.00 10.00 H new ATOM 1522 N HIS A 102 6.550 3.014 30.999 1.00 10.00 N ATOM 1523 CA HIS A 102 5.870 4.288 30.777 1.00 10.00 C ATOM 1524 C HIS A 102 6.814 5.431 30.391 1.00 10.00 C ATOM 1525 O HIS A 102 6.419 6.268 29.589 1.00 10.00 O ATOM 1526 CB HIS A 102 5.071 4.685 32.026 1.00 10.00 C ATOM 1527 CG HIS A 102 4.012 3.697 32.454 1.00 10.00 C ATOM 1528 ND1 HIS A 102 4.059 2.863 33.549 1.00 10.00 N ATOM 1529 CD2 HIS A 102 2.795 3.503 31.861 1.00 10.00 C ATOM 1530 CE1 HIS A 102 2.900 2.183 33.601 1.00 10.00 C ATOM 1531 NE2 HIS A 102 2.097 2.533 32.583 1.00 10.00 N ATOM 0 H HIS A 102 6.278 2.573 31.878 1.00 10.00 H new ATOM 0 HA HIS A 102 5.203 4.130 29.929 1.00 10.00 H new ATOM 0 HB2 HIS A 102 5.767 4.828 32.853 1.00 10.00 H new ATOM 0 HB3 HIS A 102 4.594 5.647 31.841 1.00 10.00 H new ATOM 0 HD1 HIS A 102 4.836 2.776 34.205 1.00 10.00 H new ATOM 0 HD2 HIS A 102 2.434 4.015 30.981 1.00 10.00 H new ATOM 0 HE1 HIS A 102 2.649 1.455 34.358 1.00 10.00 H new ATOM 1539 N ALA A 103 8.054 5.449 30.899 1.00 10.00 N ATOM 1540 CA ALA A 103 9.036 6.472 30.545 1.00 10.00 C ATOM 1541 C ALA A 103 9.343 6.487 29.039 1.00 10.00 C ATOM 1542 O ALA A 103 9.541 7.555 28.465 1.00 10.00 O ATOM 1543 CB ALA A 103 10.325 6.241 31.343 1.00 10.00 C ATOM 0 H ALA A 103 8.399 4.756 31.563 1.00 10.00 H new ATOM 0 HA ALA A 103 8.610 7.444 30.796 1.00 10.00 H new ATOM 0 HB1 ALA A 103 11.058 7.004 31.079 1.00 10.00 H new ATOM 0 HB2 ALA A 103 10.108 6.300 32.410 1.00 10.00 H new ATOM 0 HB3 ALA A 103 10.727 5.255 31.108 1.00 10.00 H new ATOM 1549 N ILE A 104 9.374 5.311 28.398 1.00 10.00 N ATOM 1550 CA ILE A 104 9.571 5.204 26.956 1.00 10.00 C ATOM 1551 C ILE A 104 8.349 5.836 26.287 1.00 10.00 C ATOM 1552 O ILE A 104 8.493 6.699 25.426 1.00 10.00 O ATOM 1553 CB ILE A 104 9.790 3.727 26.533 1.00 10.00 C ATOM 1554 CG1 ILE A 104 10.994 3.110 27.287 1.00 10.00 C ATOM 1555 CG2 ILE A 104 9.981 3.630 25.008 1.00 10.00 C ATOM 1556 CD1 ILE A 104 11.309 1.656 26.911 1.00 10.00 C ATOM 0 H ILE A 104 9.263 4.412 28.868 1.00 10.00 H new ATOM 0 HA ILE A 104 10.471 5.732 26.640 1.00 10.00 H new ATOM 0 HB ILE A 104 8.902 3.155 26.803 1.00 10.00 H new ATOM 0 HG12 ILE A 104 11.877 3.720 27.095 1.00 10.00 H new ATOM 0 HG13 ILE A 104 10.799 3.160 28.358 1.00 10.00 H new ATOM 0 HG21 ILE A 104 10.134 2.588 24.726 1.00 10.00 H new ATOM 0 HG22 ILE A 104 9.094 4.016 24.505 1.00 10.00 H new ATOM 0 HG23 ILE A 104 10.850 4.217 24.712 1.00 10.00 H new ATOM 0 HD11 ILE A 104 12.166 1.308 27.488 1.00 10.00 H new ATOM 0 HD12 ILE A 104 10.445 1.028 27.130 1.00 10.00 H new ATOM 0 HD13 ILE A 104 11.540 1.597 25.847 1.00 10.00 H new ATOM 1568 N SER A 105 7.146 5.421 26.696 1.00 10.00 N ATOM 1569 CA SER A 105 5.902 5.931 26.150 1.00 10.00 C ATOM 1570 C SER A 105 5.803 7.459 26.265 1.00 10.00 C ATOM 1571 O SER A 105 5.464 8.101 25.272 1.00 10.00 O ATOM 1572 CB SER A 105 4.720 5.238 26.835 1.00 10.00 C ATOM 1573 OG SER A 105 4.944 3.835 26.934 1.00 10.00 O ATOM 0 H SER A 105 7.016 4.716 27.421 1.00 10.00 H new ATOM 0 HA SER A 105 5.877 5.704 25.084 1.00 10.00 H new ATOM 0 HB2 SER A 105 4.573 5.658 27.830 1.00 10.00 H new ATOM 0 HB3 SER A 105 3.806 5.426 26.271 1.00 10.00 H new ATOM 0 HG SER A 105 4.295 3.443 27.555 1.00 10.00 H new ATOM 1579 N THR A 106 6.114 8.058 27.418 1.00 10.00 N ATOM 1580 CA THR A 106 5.988 9.500 27.574 1.00 10.00 C ATOM 1581 C THR A 106 6.960 10.236 26.660 1.00 10.00 C ATOM 1582 O THR A 106 6.550 11.201 26.024 1.00 10.00 O ATOM 1583 CB THR A 106 6.151 9.929 29.041 1.00 10.00 C ATOM 1584 OG1 THR A 106 7.275 9.346 29.669 1.00 10.00 O ATOM 1585 CG2 THR A 106 4.924 9.515 29.851 1.00 10.00 C ATOM 0 H THR A 106 6.451 7.568 28.247 1.00 10.00 H new ATOM 0 HA THR A 106 4.978 9.778 27.273 1.00 10.00 H new ATOM 0 HB THR A 106 6.279 11.011 29.018 1.00 10.00 H new ATOM 0 HG1 THR A 106 7.867 8.962 28.989 1.00 10.00 H new ATOM 0 HG21 THR A 106 5.051 9.824 30.888 1.00 10.00 H new ATOM 0 HG22 THR A 106 4.036 9.993 29.436 1.00 10.00 H new ATOM 0 HG23 THR A 106 4.807 8.432 29.807 1.00 10.00 H new ATOM 1593 N GLU A 107 8.207 9.777 26.543 1.00 10.00 N ATOM 1594 CA GLU A 107 9.178 10.422 25.667 1.00 10.00 C ATOM 1595 C GLU A 107 8.766 10.289 24.202 1.00 10.00 C ATOM 1596 O GLU A 107 8.880 11.252 23.443 1.00 10.00 O ATOM 1597 CB GLU A 107 10.575 9.827 25.876 1.00 10.00 C ATOM 1598 CG GLU A 107 11.214 10.233 27.216 1.00 10.00 C ATOM 1599 CD GLU A 107 11.563 11.734 27.275 1.00 10.00 C ATOM 1600 OE1 GLU A 107 12.647 12.115 26.791 1.00 10.00 O ATOM 1601 OE2 GLU A 107 10.736 12.516 27.806 1.00 10.00 O ATOM 0 H GLU A 107 8.565 8.963 27.043 1.00 10.00 H new ATOM 0 HA GLU A 107 9.206 11.481 25.923 1.00 10.00 H new ATOM 0 HB2 GLU A 107 10.511 8.740 25.826 1.00 10.00 H new ATOM 0 HB3 GLU A 107 11.224 10.146 25.060 1.00 10.00 H new ATOM 0 HG2 GLU A 107 10.530 9.990 28.029 1.00 10.00 H new ATOM 0 HG3 GLU A 107 12.119 9.647 27.375 1.00 10.00 H new ATOM 1608 N LYS A 108 8.235 9.126 23.807 1.00 10.00 N ATOM 1609 CA LYS A 108 7.714 8.914 22.460 1.00 10.00 C ATOM 1610 C LYS A 108 6.587 9.899 22.181 1.00 10.00 C ATOM 1611 O LYS A 108 6.642 10.591 21.165 1.00 10.00 O ATOM 1612 CB LYS A 108 7.250 7.459 22.298 1.00 10.00 C ATOM 1613 CG LYS A 108 8.404 6.531 21.904 1.00 10.00 C ATOM 1614 CD LYS A 108 7.920 5.081 21.756 1.00 10.00 C ATOM 1615 CE LYS A 108 9.037 4.210 21.167 1.00 10.00 C ATOM 1616 NZ LYS A 108 9.110 4.332 19.695 1.00 10.00 N ATOM 0 H LYS A 108 8.156 8.310 24.414 1.00 10.00 H new ATOM 0 HA LYS A 108 8.503 9.093 21.730 1.00 10.00 H new ATOM 0 HB2 LYS A 108 6.809 7.113 23.233 1.00 10.00 H new ATOM 0 HB3 LYS A 108 6.469 7.409 21.539 1.00 10.00 H new ATOM 0 HG2 LYS A 108 8.843 6.869 20.965 1.00 10.00 H new ATOM 0 HG3 LYS A 108 9.189 6.581 22.659 1.00 10.00 H new ATOM 0 HD2 LYS A 108 7.617 4.690 22.727 1.00 10.00 H new ATOM 0 HD3 LYS A 108 7.042 5.046 21.110 1.00 10.00 H new ATOM 0 HE2 LYS A 108 9.993 4.500 21.604 1.00 10.00 H new ATOM 0 HE3 LYS A 108 8.866 3.168 21.437 1.00 10.00 H new ATOM 0 HZ1 LYS A 108 10.101 4.254 19.389 1.00 10.00 H new ATOM 0 HZ2 LYS A 108 8.551 3.573 19.256 1.00 10.00 H new ATOM 0 HZ3 LYS A 108 8.730 5.255 19.404 1.00 10.00 H new ATOM 1630 N ILE A 109 5.587 9.988 23.063 1.00 10.00 N ATOM 1631 CA ILE A 109 4.483 10.932 22.909 1.00 10.00 C ATOM 1632 C ILE A 109 5.066 12.345 22.798 1.00 10.00 C ATOM 1633 O ILE A 109 4.723 13.070 21.874 1.00 10.00 O ATOM 1634 CB ILE A 109 3.471 10.788 24.073 1.00 10.00 C ATOM 1635 CG1 ILE A 109 2.781 9.400 24.082 1.00 10.00 C ATOM 1636 CG2 ILE A 109 2.378 11.870 23.999 1.00 10.00 C ATOM 1637 CD1 ILE A 109 2.145 9.052 25.437 1.00 10.00 C ATOM 0 H ILE A 109 5.523 9.409 23.900 1.00 10.00 H new ATOM 0 HA ILE A 109 3.922 10.720 21.999 1.00 10.00 H new ATOM 0 HB ILE A 109 4.050 10.903 24.989 1.00 10.00 H new ATOM 0 HG12 ILE A 109 2.012 9.378 23.310 1.00 10.00 H new ATOM 0 HG13 ILE A 109 3.513 8.635 23.824 1.00 10.00 H new ATOM 0 HG21 ILE A 109 1.683 11.743 24.829 1.00 10.00 H new ATOM 0 HG22 ILE A 109 2.838 12.856 24.059 1.00 10.00 H new ATOM 0 HG23 ILE A 109 1.838 11.778 23.057 1.00 10.00 H new ATOM 0 HD11 ILE A 109 1.678 8.069 25.378 1.00 10.00 H new ATOM 0 HD12 ILE A 109 2.915 9.043 26.209 1.00 10.00 H new ATOM 0 HD13 ILE A 109 1.390 9.797 25.687 1.00 10.00 H new ATOM 1649 N LYS A 110 5.975 12.724 23.701 1.00 10.00 N ATOM 1650 CA LYS A 110 6.542 14.069 23.765 1.00 10.00 C ATOM 1651 C LYS A 110 7.286 14.426 22.477 1.00 10.00 C ATOM 1652 O LYS A 110 7.162 15.546 21.996 1.00 10.00 O ATOM 1653 CB LYS A 110 7.440 14.150 25.009 1.00 10.00 C ATOM 1654 CG LYS A 110 7.747 15.598 25.420 1.00 10.00 C ATOM 1655 CD LYS A 110 8.433 15.710 26.795 1.00 10.00 C ATOM 1656 CE LYS A 110 7.633 14.990 27.896 1.00 10.00 C ATOM 1657 NZ LYS A 110 7.991 15.421 29.263 1.00 10.00 N ATOM 0 H LYS A 110 6.341 12.095 24.416 1.00 10.00 H new ATOM 0 HA LYS A 110 5.746 14.809 23.854 1.00 10.00 H new ATOM 0 HB2 LYS A 110 6.954 13.636 25.838 1.00 10.00 H new ATOM 0 HB3 LYS A 110 8.375 13.625 24.813 1.00 10.00 H new ATOM 0 HG2 LYS A 110 8.386 16.055 24.665 1.00 10.00 H new ATOM 0 HG3 LYS A 110 6.818 16.168 25.438 1.00 10.00 H new ATOM 0 HD2 LYS A 110 9.435 15.284 26.737 1.00 10.00 H new ATOM 0 HD3 LYS A 110 8.548 16.761 27.059 1.00 10.00 H new ATOM 0 HE2 LYS A 110 6.569 15.166 27.735 1.00 10.00 H new ATOM 0 HE3 LYS A 110 7.795 13.916 27.808 1.00 10.00 H new ATOM 0 HZ1 LYS A 110 7.478 14.839 29.956 1.00 10.00 H new ATOM 0 HZ2 LYS A 110 9.015 15.308 29.406 1.00 10.00 H new ATOM 0 HZ3 LYS A 110 7.732 16.420 29.391 1.00 10.00 H new ATOM 1671 N ALA A 111 8.040 13.486 21.903 1.00 10.00 N ATOM 1672 CA ALA A 111 8.745 13.690 20.651 1.00 10.00 C ATOM 1673 C ALA A 111 7.758 13.861 19.491 1.00 10.00 C ATOM 1674 O ALA A 111 7.943 14.738 18.652 1.00 10.00 O ATOM 1675 CB ALA A 111 9.691 12.508 20.395 1.00 10.00 C ATOM 0 H ALA A 111 8.175 12.557 22.303 1.00 10.00 H new ATOM 0 HA ALA A 111 9.333 14.605 20.721 1.00 10.00 H new ATOM 0 HB1 ALA A 111 10.220 12.662 19.454 1.00 10.00 H new ATOM 0 HB2 ALA A 111 10.412 12.436 21.209 1.00 10.00 H new ATOM 0 HB3 ALA A 111 9.114 11.585 20.339 1.00 10.00 H new ATOM 1681 N LYS A 112 6.736 13.000 19.405 1.00 10.00 N ATOM 1682 CA LYS A 112 5.805 12.978 18.271 1.00 10.00 C ATOM 1683 C LYS A 112 4.740 14.082 18.376 1.00 10.00 C ATOM 1684 O LYS A 112 4.173 14.452 17.351 1.00 10.00 O ATOM 1685 CB LYS A 112 5.183 11.574 18.127 1.00 10.00 C ATOM 1686 CG LYS A 112 6.048 10.603 17.294 1.00 10.00 C ATOM 1687 CD LYS A 112 7.481 10.381 17.819 1.00 10.00 C ATOM 1688 CE LYS A 112 8.305 9.378 16.995 1.00 10.00 C ATOM 1689 NZ LYS A 112 8.589 9.842 15.610 1.00 10.00 N ATOM 0 H LYS A 112 6.532 12.300 20.119 1.00 10.00 H new ATOM 0 HA LYS A 112 6.366 13.194 17.362 1.00 10.00 H new ATOM 0 HB2 LYS A 112 5.027 11.150 19.119 1.00 10.00 H new ATOM 0 HB3 LYS A 112 4.202 11.665 17.662 1.00 10.00 H new ATOM 0 HG2 LYS A 112 5.542 9.639 17.249 1.00 10.00 H new ATOM 0 HG3 LYS A 112 6.107 10.980 16.273 1.00 10.00 H new ATOM 0 HD2 LYS A 112 8.003 11.338 17.834 1.00 10.00 H new ATOM 0 HD3 LYS A 112 7.428 10.031 18.850 1.00 10.00 H new ATOM 0 HE2 LYS A 112 9.248 9.187 17.507 1.00 10.00 H new ATOM 0 HE3 LYS A 112 7.769 8.430 16.950 1.00 10.00 H new ATOM 0 HZ1 LYS A 112 9.147 9.121 15.110 1.00 10.00 H new ATOM 0 HZ2 LYS A 112 7.693 9.998 15.106 1.00 10.00 H new ATOM 0 HZ3 LYS A 112 9.126 10.732 15.645 1.00 10.00 H new ATOM 1703 N TYR A 113 4.511 14.630 19.567 1.00 10.00 N ATOM 1704 CA TYR A 113 3.584 15.716 19.848 1.00 10.00 C ATOM 1705 C TYR A 113 4.339 16.750 20.703 1.00 10.00 C ATOM 1706 O TYR A 113 4.175 16.758 21.921 1.00 10.00 O ATOM 1707 CB TYR A 113 2.317 15.176 20.538 1.00 10.00 C ATOM 1708 CG TYR A 113 1.505 14.194 19.709 1.00 10.00 C ATOM 1709 CD1 TYR A 113 0.484 14.663 18.858 1.00 10.00 C ATOM 1710 CD2 TYR A 113 1.766 12.812 19.795 1.00 10.00 C ATOM 1711 CE1 TYR A 113 -0.282 13.756 18.103 1.00 10.00 C ATOM 1712 CE2 TYR A 113 1.011 11.902 19.035 1.00 10.00 C ATOM 1713 CZ TYR A 113 -0.024 12.367 18.193 1.00 10.00 C ATOM 1714 OH TYR A 113 -0.758 11.474 17.474 1.00 10.00 O ATOM 0 H TYR A 113 4.995 14.309 20.405 1.00 10.00 H new ATOM 0 HA TYR A 113 3.239 16.197 18.932 1.00 10.00 H new ATOM 0 HB2 TYR A 113 2.608 14.689 21.469 1.00 10.00 H new ATOM 0 HB3 TYR A 113 1.679 16.019 20.804 1.00 10.00 H new ATOM 0 HD1 TYR A 113 0.289 15.723 18.785 1.00 10.00 H new ATOM 0 HD2 TYR A 113 2.548 12.451 20.446 1.00 10.00 H new ATOM 0 HE1 TYR A 113 -1.066 14.119 17.455 1.00 10.00 H new ATOM 0 HE2 TYR A 113 1.223 10.845 19.095 1.00 10.00 H new ATOM 0 HH TYR A 113 -0.441 10.565 17.659 1.00 10.00 H new ATOM 1724 N PRO A 114 5.211 17.580 20.094 1.00 10.00 N ATOM 1725 CA PRO A 114 6.082 18.529 20.791 1.00 10.00 C ATOM 1726 C PRO A 114 5.313 19.786 21.254 1.00 10.00 C ATOM 1727 O PRO A 114 5.704 20.914 20.953 1.00 10.00 O ATOM 1728 CB PRO A 114 7.213 18.812 19.791 1.00 10.00 C ATOM 1729 CG PRO A 114 6.496 18.747 18.446 1.00 10.00 C ATOM 1730 CD PRO A 114 5.494 17.613 18.663 1.00 10.00 C ATOM 0 HA PRO A 114 6.484 18.134 21.724 1.00 10.00 H new ATOM 0 HB2 PRO A 114 7.668 19.788 19.960 1.00 10.00 H new ATOM 0 HB3 PRO A 114 8.010 18.072 19.861 1.00 10.00 H new ATOM 0 HG2 PRO A 114 6.000 19.687 18.204 1.00 10.00 H new ATOM 0 HG3 PRO A 114 7.184 18.530 17.629 1.00 10.00 H new ATOM 0 HD2 PRO A 114 4.582 17.786 18.091 1.00 10.00 H new ATOM 0 HD3 PRO A 114 5.906 16.661 18.327 1.00 10.00 H new ATOM 1738 N ASP A 115 4.196 19.592 21.951 1.00 10.00 N ATOM 1739 CA ASP A 115 3.341 20.636 22.514 1.00 10.00 C ATOM 1740 C ASP A 115 2.747 20.105 23.824 1.00 10.00 C ATOM 1741 O ASP A 115 2.813 18.898 24.088 1.00 10.00 O ATOM 1742 CB ASP A 115 2.241 21.017 21.503 1.00 10.00 C ATOM 1743 CG ASP A 115 1.407 22.254 21.911 1.00 10.00 C ATOM 1744 OD1 ASP A 115 1.888 23.056 22.745 1.00 10.00 O ATOM 1745 OD2 ASP A 115 0.305 22.414 21.345 1.00 10.00 O ATOM 0 H ASP A 115 3.844 18.655 22.149 1.00 10.00 H new ATOM 0 HA ASP A 115 3.914 21.540 22.721 1.00 10.00 H new ATOM 0 HB2 ASP A 115 2.703 21.208 20.535 1.00 10.00 H new ATOM 0 HB3 ASP A 115 1.571 20.167 21.375 1.00 10.00 H new ATOM 1750 N TYR A 116 2.155 20.984 24.637 1.00 10.00 N ATOM 1751 CA TYR A 116 1.726 20.701 26.005 1.00 10.00 C ATOM 1752 C TYR A 116 2.883 20.063 26.800 1.00 10.00 C ATOM 1753 O TYR A 116 4.023 20.512 26.694 1.00 10.00 O ATOM 1754 CB TYR A 116 0.402 19.905 26.005 1.00 10.00 C ATOM 1755 CG TYR A 116 -0.696 20.505 25.140 1.00 10.00 C ATOM 1756 CD1 TYR A 116 -1.244 21.760 25.468 1.00 10.00 C ATOM 1757 CD2 TYR A 116 -1.159 19.817 23.999 1.00 10.00 C ATOM 1758 CE1 TYR A 116 -2.234 22.336 24.653 1.00 10.00 C ATOM 1759 CE2 TYR A 116 -2.159 20.383 23.185 1.00 10.00 C ATOM 1760 CZ TYR A 116 -2.694 21.654 23.503 1.00 10.00 C ATOM 1761 OH TYR A 116 -3.680 22.208 22.734 1.00 10.00 O ATOM 0 H TYR A 116 1.956 21.942 24.350 1.00 10.00 H new ATOM 0 HA TYR A 116 1.491 21.625 26.533 1.00 10.00 H new ATOM 0 HB2 TYR A 116 0.603 18.890 25.662 1.00 10.00 H new ATOM 0 HB3 TYR A 116 0.039 19.829 27.030 1.00 10.00 H new ATOM 0 HD1 TYR A 116 -0.902 22.282 26.349 1.00 10.00 H new ATOM 0 HD2 TYR A 116 -0.745 18.852 23.749 1.00 10.00 H new ATOM 0 HE1 TYR A 116 -2.644 23.302 24.906 1.00 10.00 H new ATOM 0 HE2 TYR A 116 -2.518 19.847 22.318 1.00 10.00 H new ATOM 0 HH TYR A 116 -3.881 21.614 21.981 1.00 10.00 H new ATOM 1771 N GLU A 117 2.594 19.076 27.653 1.00 10.00 N ATOM 1772 CA GLU A 117 3.559 18.390 28.500 1.00 10.00 C ATOM 1773 C GLU A 117 3.074 16.942 28.650 1.00 10.00 C ATOM 1774 O GLU A 117 1.893 16.655 28.415 1.00 10.00 O ATOM 1775 CB GLU A 117 3.641 19.147 29.845 1.00 10.00 C ATOM 1776 CG GLU A 117 4.647 18.604 30.872 1.00 10.00 C ATOM 1777 CD GLU A 117 6.079 18.548 30.313 1.00 10.00 C ATOM 1778 OE1 GLU A 117 6.372 17.559 29.595 1.00 10.00 O ATOM 1779 OE2 GLU A 117 6.888 19.437 30.632 1.00 10.00 O ATOM 0 H GLU A 117 1.644 18.724 27.773 1.00 10.00 H new ATOM 0 HA GLU A 117 4.565 18.371 28.080 1.00 10.00 H new ATOM 0 HB2 GLU A 117 3.892 20.187 29.637 1.00 10.00 H new ATOM 0 HB3 GLU A 117 2.651 19.143 30.301 1.00 10.00 H new ATOM 0 HG2 GLU A 117 4.631 19.234 31.761 1.00 10.00 H new ATOM 0 HG3 GLU A 117 4.342 17.605 31.183 1.00 10.00 H new ATOM 1786 N VAL A 118 3.954 16.033 29.083 1.00 10.00 N ATOM 1787 CA VAL A 118 3.647 14.622 29.296 1.00 10.00 C ATOM 1788 C VAL A 118 4.464 14.160 30.507 1.00 10.00 C ATOM 1789 O VAL A 118 5.674 14.404 30.562 1.00 10.00 O ATOM 1790 CB VAL A 118 4.003 13.775 28.046 1.00 10.00 C ATOM 1791 CG1 VAL A 118 3.220 12.453 28.070 1.00 10.00 C ATOM 1792 CG2 VAL A 118 3.758 14.450 26.688 1.00 10.00 C ATOM 0 H VAL A 118 4.923 16.268 29.299 1.00 10.00 H new ATOM 0 HA VAL A 118 2.579 14.491 29.473 1.00 10.00 H new ATOM 0 HB VAL A 118 5.080 13.625 28.121 1.00 10.00 H new ATOM 0 HG11 VAL A 118 3.475 11.863 27.189 1.00 10.00 H new ATOM 0 HG12 VAL A 118 3.479 11.893 28.969 1.00 10.00 H new ATOM 0 HG13 VAL A 118 2.151 12.663 28.069 1.00 10.00 H new ATOM 0 HG21 VAL A 118 4.041 13.768 25.886 1.00 10.00 H new ATOM 0 HG22 VAL A 118 2.702 14.703 26.593 1.00 10.00 H new ATOM 0 HG23 VAL A 118 4.357 15.358 26.620 1.00 10.00 H new ATOM 1802 N THR A 119 3.836 13.462 31.455 1.00 10.00 N ATOM 1803 CA THR A 119 4.495 12.836 32.601 1.00 10.00 C ATOM 1804 C THR A 119 3.813 11.492 32.887 1.00 10.00 C ATOM 1805 O THR A 119 2.756 11.204 32.318 1.00 10.00 O ATOM 1806 CB THR A 119 4.466 13.772 33.832 1.00 10.00 C ATOM 1807 OG1 THR A 119 3.184 14.349 34.038 1.00 10.00 O ATOM 1808 CG2 THR A 119 5.464 14.924 33.709 1.00 10.00 C ATOM 0 H THR A 119 2.827 13.313 31.446 1.00 10.00 H new ATOM 0 HA THR A 119 5.545 12.656 32.372 1.00 10.00 H new ATOM 0 HB THR A 119 4.732 13.133 34.674 1.00 10.00 H new ATOM 0 HG1 THR A 119 2.715 13.860 34.747 1.00 10.00 H new ATOM 0 HG21 THR A 119 5.405 15.553 34.598 1.00 10.00 H new ATOM 0 HG22 THR A 119 6.473 14.523 33.614 1.00 10.00 H new ATOM 0 HG23 THR A 119 5.226 15.519 32.827 1.00 10.00 H new ATOM 1816 N TRP A 120 4.390 10.681 33.774 1.00 10.00 N ATOM 1817 CA TRP A 120 3.817 9.397 34.162 1.00 10.00 C ATOM 1818 C TRP A 120 3.941 9.149 35.662 1.00 10.00 C ATOM 1819 O TRP A 120 4.741 9.787 36.342 1.00 10.00 O ATOM 1820 CB TRP A 120 4.442 8.247 33.361 1.00 10.00 C ATOM 1821 CG TRP A 120 5.890 7.964 33.624 1.00 10.00 C ATOM 1822 CD1 TRP A 120 6.937 8.591 33.042 1.00 10.00 C ATOM 1823 CD2 TRP A 120 6.478 6.980 34.533 1.00 10.00 C ATOM 1824 NE1 TRP A 120 8.119 8.097 33.548 1.00 10.00 N ATOM 1825 CE2 TRP A 120 7.899 7.093 34.466 1.00 10.00 C ATOM 1826 CE3 TRP A 120 5.954 5.992 35.396 1.00 10.00 C ATOM 1827 CZ2 TRP A 120 8.753 6.280 35.227 1.00 10.00 C ATOM 1828 CZ3 TRP A 120 6.802 5.171 36.164 1.00 10.00 C ATOM 1829 CH2 TRP A 120 8.198 5.314 36.083 1.00 10.00 C ATOM 0 H TRP A 120 5.269 10.899 34.243 1.00 10.00 H new ATOM 0 HA TRP A 120 2.753 9.435 33.926 1.00 10.00 H new ATOM 0 HB2 TRP A 120 3.874 7.340 33.565 1.00 10.00 H new ATOM 0 HB3 TRP A 120 4.323 8.465 32.300 1.00 10.00 H new ATOM 0 HD1 TRP A 120 6.858 9.364 32.292 1.00 10.00 H new ATOM 0 HE1 TRP A 120 9.043 8.433 33.277 1.00 10.00 H new ATOM 0 HE3 TRP A 120 4.884 5.864 35.468 1.00 10.00 H new ATOM 0 HZ2 TRP A 120 9.824 6.396 35.155 1.00 10.00 H new ATOM 0 HZ3 TRP A 120 6.377 4.426 36.820 1.00 10.00 H new ATOM 0 HH2 TRP A 120 8.842 4.683 36.677 1.00 10.00 H new ATOM 1840 N ALA A 121 3.158 8.190 36.163 1.00 10.00 N ATOM 1841 CA ALA A 121 3.237 7.629 37.507 1.00 10.00 C ATOM 1842 C ALA A 121 2.850 6.144 37.445 1.00 10.00 C ATOM 1843 O ALA A 121 2.345 5.679 36.425 1.00 10.00 O ATOM 1844 CB ALA A 121 2.294 8.400 38.442 1.00 10.00 C ATOM 0 H ALA A 121 2.414 7.764 35.610 1.00 10.00 H new ATOM 0 HA ALA A 121 4.251 7.717 37.896 1.00 10.00 H new ATOM 0 HB1 ALA A 121 2.354 7.980 39.446 1.00 10.00 H new ATOM 0 HB2 ALA A 121 2.587 9.450 38.470 1.00 10.00 H new ATOM 0 HB3 ALA A 121 1.271 8.318 38.075 1.00 10.00 H new ATOM 1850 N ASN A 122 3.077 5.396 38.528 1.00 10.00 N ATOM 1851 CA ASN A 122 2.700 3.979 38.647 1.00 10.00 C ATOM 1852 C ASN A 122 2.347 3.644 40.110 1.00 10.00 C ATOM 1853 O ASN A 122 2.473 2.509 40.550 1.00 10.00 O ATOM 1854 CB ASN A 122 3.836 3.106 38.074 1.00 10.00 C ATOM 1855 CG ASN A 122 3.532 1.604 38.083 1.00 10.00 C ATOM 1856 OD1 ASN A 122 4.259 0.819 38.671 1.00 10.00 O ATOM 1857 ND2 ASN A 122 2.492 1.153 37.391 1.00 10.00 N ATOM 0 H ASN A 122 3.536 5.761 39.363 1.00 10.00 H new ATOM 0 HA ASN A 122 1.804 3.767 38.064 1.00 10.00 H new ATOM 0 HB2 ASN A 122 4.040 3.419 37.050 1.00 10.00 H new ATOM 0 HB3 ASN A 122 4.744 3.286 38.649 1.00 10.00 H new ATOM 0 HD21 ASN A 122 2.301 0.152 37.351 1.00 10.00 H new ATOM 0 HD22 ASN A 122 1.884 1.808 36.899 1.00 10.00 H new ATOM 1864 N ASP A 123 1.956 4.659 40.892 1.00 10.00 N ATOM 1865 CA ASP A 123 1.674 4.531 42.332 1.00 10.00 C ATOM 1866 C ASP A 123 0.487 3.600 42.630 1.00 10.00 C ATOM 1867 O ASP A 123 0.426 2.970 43.683 1.00 10.00 O ATOM 1868 CB ASP A 123 1.401 5.919 42.928 1.00 10.00 C ATOM 1869 CG ASP A 123 1.092 5.844 44.441 1.00 10.00 C ATOM 1870 OD1 ASP A 123 2.040 5.603 45.216 1.00 10.00 O ATOM 1871 OD2 ASP A 123 -0.074 6.093 44.809 1.00 10.00 O ATOM 0 H ASP A 123 1.824 5.607 40.539 1.00 10.00 H new ATOM 0 HA ASP A 123 2.555 4.083 42.792 1.00 10.00 H new ATOM 0 HB2 ASP A 123 2.267 6.561 42.765 1.00 10.00 H new ATOM 0 HB3 ASP A 123 0.561 6.379 42.408 1.00 10.00 H new ATOM 1876 N GLY A 124 -0.433 3.465 41.669 1.00 10.00 N ATOM 1877 CA GLY A 124 -1.595 2.594 41.719 1.00 10.00 C ATOM 1878 C GLY A 124 -2.228 2.545 40.331 1.00 10.00 C ATOM 1879 O GLY A 124 -1.715 3.176 39.399 1.00 10.00 O ATOM 0 H GLY A 124 -0.378 3.989 40.796 1.00 10.00 H new ATOM 0 HA2 GLY A 124 -1.304 1.593 42.037 1.00 10.00 H new ATOM 0 HA3 GLY A 124 -2.314 2.964 42.450 1.00 10.00 H new ATOM 1883 N TYR A 125 -3.304 1.758 40.183 1.00 10.00 N ATOM 1884 CA TYR A 125 -4.051 1.687 38.930 1.00 10.00 C ATOM 1885 C TYR A 125 -4.606 3.071 38.586 1.00 10.00 C ATOM 1886 O TYR A 125 -4.515 3.483 37.412 1.00 10.00 O ATOM 1887 CB TYR A 125 -5.168 0.635 38.991 1.00 10.00 C ATOM 1888 CG TYR A 125 -5.928 0.529 37.680 1.00 10.00 C ATOM 1889 CD1 TYR A 125 -5.279 0.041 36.527 1.00 10.00 C ATOM 1890 CD2 TYR A 125 -7.261 0.978 37.593 1.00 10.00 C ATOM 1891 CE1 TYR A 125 -5.944 0.030 35.286 1.00 10.00 C ATOM 1892 CE2 TYR A 125 -7.935 0.960 36.359 1.00 10.00 C ATOM 1893 CZ TYR A 125 -7.276 0.497 35.198 1.00 10.00 C ATOM 1894 OH TYR A 125 -7.933 0.514 33.998 1.00 10.00 O ATOM 1895 OXT TYR A 125 -5.253 3.700 39.448 1.00 10.00 O ATOM 0 H TYR A 125 -3.673 1.161 40.923 1.00 10.00 H new ATOM 0 HA TYR A 125 -3.371 1.372 38.139 1.00 10.00 H new ATOM 0 HB2 TYR A 125 -4.738 -0.335 39.239 1.00 10.00 H new ATOM 0 HB3 TYR A 125 -5.862 0.890 39.792 1.00 10.00 H new ATOM 0 HD1 TYR A 125 -4.266 -0.326 36.596 1.00 10.00 H new ATOM 0 HD2 TYR A 125 -7.767 1.337 38.477 1.00 10.00 H new ATOM 0 HE1 TYR A 125 -5.438 -0.334 34.404 1.00 10.00 H new ATOM 0 HE2 TYR A 125 -8.958 1.301 36.299 1.00 10.00 H new ATOM 0 HH TYR A 125 -8.839 0.865 34.126 1.00 10.00 H new TER 1905 TYR A 125