USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=36 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 112 LYS NZ :NH3+ 159:sc= 0.324 (180deg=0.0477) USER MOD Set 1.2: A 113 TYR OH : rot 180:sc= 0.307 USER MOD Set 2.1: A 22 TYR OH : rot 180:sc= 0.337 USER MOD Set 2.2: A 102 HIS : no HE2:sc= -0.331 K(o=2.5,f=-0.38) USER MOD Set 2.3: A 105 SER OG : rot -160:sc= 0.763 USER MOD Set 2.4: A 122 ASN : amide:sc= 1.74 K(o=2.5,f=-1.5) USER MOD Set 3.1: A 89 HIS : no HD1:sc= 0.955 K(o=2.3,f=-4.7!) USER MOD Set 3.2: A 119 THR OG1 : rot 77:sc= 1.32 USER MOD Set 4.1: A 81 HIS : no HD1:sc= 0.824 K(o=1.9,f=-4.6!) USER MOD Set 4.2: A 83 SER OG : rot 93:sc= 1.07 USER MOD Set 5.1: A 64 MET CE :methyl -160:sc= -0.0461 (180deg=-0.249) USER MOD Set 5.2: A 67 GLN : amide:sc= 1.08 K(o=1,f=-0.77) USER MOD Set 6.1: A 28 HIS : no HD1:sc= 1.02 K(o=2.3,f=-5!) USER MOD Set 6.2: A 40 SER OG : rot -96:sc= 1.28 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0113 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.14) USER MOD Single : A 29 SER OG : rot 180:sc= 0.691 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= 2.03 (180deg=1) USER MOD Single : A 47 TYR OH : rot 166:sc= 1.27 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 2.48 (180deg=2.36) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.409 F(o=-1,f=-0.41) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -78:sc= 0.447 USER MOD Single : A 65 GLN : amide:sc= 0.451 X(o=0.45,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -160:sc= 0 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.47 USER MOD Single : A 73 CYS SG : rot 122:sc= 1.09 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0528 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= 0.969 K(o=0.97,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.28) USER MOD Single : A 91 TYR OH : rot 23:sc= 0.49 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 42:sc= 1.61 USER MOD Single : A 95 MET CE :methyl 170:sc= 0 (180deg=-0.0749) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 1:sc= 0.104 USER MOD Single : A 108 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.16) USER MOD Single : A 110 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.17) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.952 -5.919 19.110 1.00 0.00 N ATOM 2 CA MET A 1 -14.471 -5.889 19.060 1.00 0.00 C ATOM 3 C MET A 1 -13.914 -7.294 19.317 1.00 0.00 C ATOM 4 O MET A 1 -14.398 -8.005 20.202 1.00 0.00 O ATOM 5 CB MET A 1 -13.892 -4.859 20.058 1.00 0.00 C ATOM 6 CG MET A 1 -12.360 -4.745 20.003 1.00 0.00 C ATOM 7 SD MET A 1 -11.668 -4.389 18.361 1.00 0.00 S ATOM 8 CE MET A 1 -9.897 -4.466 18.746 1.00 0.00 C ATOM 0 H1 MET A 1 -16.298 -5.104 19.656 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.333 -5.875 18.143 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.266 -6.799 19.566 1.00 0.00 H new ATOM 0 HA MET A 1 -14.163 -5.570 18.064 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.329 -3.882 19.853 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.192 -5.136 21.069 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.045 -3.959 20.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.929 -5.678 20.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.319 -4.270 17.843 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.656 -3.718 19.501 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.650 -5.457 19.126 1.00 0.00 H new ATOM 20 N ALA A 2 -12.878 -7.689 18.571 1.00 0.00 N ATOM 21 CA ALA A 2 -12.085 -8.892 18.802 1.00 0.00 C ATOM 22 C ALA A 2 -10.651 -8.586 18.362 1.00 0.00 C ATOM 23 O ALA A 2 -10.439 -7.717 17.512 1.00 0.00 O ATOM 24 CB ALA A 2 -12.660 -10.069 18.003 1.00 0.00 C ATOM 0 H ALA A 2 -12.560 -7.158 17.761 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.105 -9.172 19.855 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.059 -10.960 18.184 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.687 -10.254 18.316 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.643 -9.830 16.940 1.00 0.00 H new ATOM 30 N VAL A 3 -9.669 -9.279 18.939 1.00 0.00 N ATOM 31 CA VAL A 3 -8.262 -9.046 18.628 1.00 0.00 C ATOM 32 C VAL A 3 -8.010 -9.506 17.183 1.00 0.00 C ATOM 33 O VAL A 3 -8.338 -10.642 16.826 1.00 0.00 O ATOM 34 CB VAL A 3 -7.339 -9.762 19.643 1.00 0.00 C ATOM 35 CG1 VAL A 3 -5.929 -9.160 19.572 1.00 0.00 C ATOM 36 CG2 VAL A 3 -7.835 -9.653 21.097 1.00 0.00 C ATOM 0 H VAL A 3 -9.827 -10.012 19.630 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.028 -7.985 18.710 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.339 -10.817 19.367 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.281 -9.666 20.288 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.529 -9.288 18.566 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.974 -8.098 19.812 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.143 -10.176 21.758 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.889 -8.603 21.385 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.825 -10.103 21.179 1.00 0.00 H new ATOM 46 N ALA A 4 -7.452 -8.620 16.351 1.00 0.00 N ATOM 47 CA ALA A 4 -7.016 -8.953 14.999 1.00 0.00 C ATOM 48 C ALA A 4 -5.690 -9.733 15.039 1.00 0.00 C ATOM 49 O ALA A 4 -5.146 -10.015 16.108 1.00 0.00 O ATOM 50 CB ALA A 4 -6.880 -7.659 14.186 1.00 0.00 C ATOM 0 H ALA A 4 -7.291 -7.645 16.603 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.755 -9.594 14.519 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.554 -7.898 13.174 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.844 -7.151 14.147 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.145 -7.008 14.659 1.00 0.00 H new ATOM 56 N ASP A 5 -5.138 -10.039 13.866 1.00 0.00 N ATOM 57 CA ASP A 5 -3.793 -10.581 13.690 1.00 0.00 C ATOM 58 C ASP A 5 -3.285 -10.078 12.342 1.00 0.00 C ATOM 59 O ASP A 5 -4.085 -9.891 11.422 1.00 0.00 O ATOM 60 CB ASP A 5 -3.814 -12.115 13.716 1.00 0.00 C ATOM 61 CG ASP A 5 -2.403 -12.680 13.497 1.00 0.00 C ATOM 62 OD1 ASP A 5 -2.013 -12.893 12.329 1.00 0.00 O ATOM 63 OD2 ASP A 5 -1.677 -12.891 14.493 1.00 0.00 O ATOM 0 H ASP A 5 -5.632 -9.912 12.983 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.140 -10.256 14.500 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.206 -12.462 14.672 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.485 -12.488 12.942 1.00 0.00 H new ATOM 68 N LEU A 6 -1.974 -9.847 12.212 1.00 0.00 N ATOM 69 CA LEU A 6 -1.372 -9.268 11.015 1.00 0.00 C ATOM 70 C LEU A 6 -1.710 -10.060 9.751 1.00 0.00 C ATOM 71 O LEU A 6 -1.877 -9.454 8.691 1.00 0.00 O ATOM 72 CB LEU A 6 0.157 -9.183 11.177 1.00 0.00 C ATOM 73 CG LEU A 6 0.661 -8.244 12.290 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.190 -8.305 12.368 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.226 -6.788 12.086 1.00 0.00 C ATOM 0 H LEU A 6 -1.298 -10.060 12.945 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.790 -8.268 10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.539 -10.185 11.372 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.586 -8.857 10.230 1.00 0.00 H new ATOM 0 HG LEU A 6 0.213 -8.592 13.221 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.541 -7.639 13.156 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.503 -9.326 12.589 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.616 -7.994 11.414 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.611 -6.176 12.901 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.620 -6.420 11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.862 -6.732 12.073 1.00 0.00 H new ATOM 87 N ALA A 7 -1.837 -11.389 9.837 1.00 0.00 N ATOM 88 CA ALA A 7 -2.145 -12.230 8.691 1.00 0.00 C ATOM 89 C ALA A 7 -3.560 -11.980 8.150 1.00 0.00 C ATOM 90 O ALA A 7 -3.813 -12.235 6.972 1.00 0.00 O ATOM 91 CB ALA A 7 -1.980 -13.706 9.071 1.00 0.00 C ATOM 0 H ALA A 7 -1.727 -11.906 10.709 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.445 -11.972 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.212 -14.332 8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.952 -13.888 9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.658 -13.949 9.889 1.00 0.00 H new ATOM 97 N LEU A 8 -4.483 -11.499 8.992 1.00 0.00 N ATOM 98 CA LEU A 8 -5.870 -11.254 8.603 1.00 0.00 C ATOM 99 C LEU A 8 -6.004 -9.939 7.832 1.00 0.00 C ATOM 100 O LEU A 8 -6.967 -9.776 7.081 1.00 0.00 O ATOM 101 CB LEU A 8 -6.786 -11.210 9.842 1.00 0.00 C ATOM 102 CG LEU A 8 -6.817 -12.504 10.679 1.00 0.00 C ATOM 103 CD1 LEU A 8 -7.696 -12.297 11.918 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.340 -13.706 9.883 1.00 0.00 C ATOM 0 H LEU A 8 -4.284 -11.269 9.966 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.175 -12.077 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.465 -10.389 10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.801 -10.982 9.516 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.790 -12.723 10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.716 -13.214 12.507 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.289 -11.486 12.522 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.710 -12.044 11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.341 -14.591 10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.355 -13.503 9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.696 -13.880 9.021 1.00 0.00 H new ATOM 116 N ILE A 9 -5.075 -8.995 8.021 1.00 0.00 N ATOM 117 CA ILE A 9 -5.145 -7.677 7.395 1.00 0.00 C ATOM 118 C ILE A 9 -4.935 -7.866 5.882 1.00 0.00 C ATOM 119 O ILE A 9 -3.933 -8.489 5.507 1.00 0.00 O ATOM 120 CB ILE A 9 -4.095 -6.710 7.993 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.142 -6.694 9.542 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.314 -5.293 7.429 1.00 0.00 C ATOM 123 CD1 ILE A 9 -3.044 -5.852 10.198 1.00 0.00 C ATOM 0 H ILE A 9 -4.255 -9.127 8.613 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.119 -7.225 7.585 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.105 -7.065 7.706 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.113 -6.315 9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.065 -7.718 9.907 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.573 -4.615 7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.210 -5.313 6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.314 -4.948 7.691 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.151 -5.896 11.282 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.067 -6.243 9.913 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.132 -4.817 9.866 1.00 0.00 H new ATOM 135 N PRO A 10 -5.817 -7.323 5.019 1.00 0.00 N ATOM 136 CA PRO A 10 -5.637 -7.309 3.572 1.00 0.00 C ATOM 137 C PRO A 10 -4.236 -6.847 3.176 1.00 0.00 C ATOM 138 O PRO A 10 -3.821 -5.742 3.534 1.00 0.00 O ATOM 139 CB PRO A 10 -6.710 -6.359 3.035 1.00 0.00 C ATOM 140 CG PRO A 10 -7.839 -6.508 4.049 1.00 0.00 C ATOM 141 CD PRO A 10 -7.078 -6.675 5.363 1.00 0.00 C ATOM 0 HA PRO A 10 -5.739 -8.310 3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.349 -5.332 2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.030 -6.638 2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.490 -5.634 4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.469 -7.370 3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.903 -5.710 5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.647 -7.279 6.069 1.00 0.00 H new ATOM 149 N ASP A 11 -3.514 -7.675 2.426 1.00 0.00 N ATOM 150 CA ASP A 11 -2.135 -7.401 2.018 1.00 0.00 C ATOM 151 C ASP A 11 -2.077 -6.292 0.962 1.00 0.00 C ATOM 152 O ASP A 11 -1.237 -5.393 1.025 1.00 0.00 O ATOM 153 CB ASP A 11 -1.528 -8.698 1.479 1.00 0.00 C ATOM 154 CG ASP A 11 -0.026 -8.548 1.231 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.715 -8.340 2.216 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.415 -8.704 0.074 1.00 0.00 O ATOM 0 H ASP A 11 -3.872 -8.565 2.080 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.563 -7.050 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.702 -9.506 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.026 -8.977 0.550 1.00 0.00 H new ATOM 161 N VAL A 12 -3.054 -6.281 0.053 1.00 0.00 N ATOM 162 CA VAL A 12 -3.231 -5.283 -0.995 1.00 0.00 C ATOM 163 C VAL A 12 -4.730 -4.985 -1.024 1.00 0.00 C ATOM 164 O VAL A 12 -5.542 -5.911 -0.990 1.00 0.00 O ATOM 165 CB VAL A 12 -2.726 -5.832 -2.351 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.895 -4.814 -3.490 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.251 -6.256 -2.307 1.00 0.00 C ATOM 0 H VAL A 12 -3.775 -7.002 0.029 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.658 -4.375 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.346 -6.708 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.527 -5.245 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.950 -4.562 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.329 -3.912 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.951 -6.633 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.633 -5.397 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.120 -7.039 -1.561 1.00 0.00 H new ATOM 177 N ASP A 13 -5.096 -3.705 -1.079 1.00 0.00 N ATOM 178 CA ASP A 13 -6.470 -3.262 -1.282 1.00 0.00 C ATOM 179 C ASP A 13 -6.378 -1.898 -1.948 1.00 0.00 C ATOM 180 O ASP A 13 -5.725 -1.004 -1.408 1.00 0.00 O ATOM 181 CB ASP A 13 -7.238 -3.150 0.041 1.00 0.00 C ATOM 182 CG ASP A 13 -8.707 -2.804 -0.239 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.435 -3.651 -0.803 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.141 -1.685 0.110 1.00 0.00 O ATOM 0 H ASP A 13 -4.433 -2.936 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.014 -3.983 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.174 -4.090 0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.787 -2.382 0.670 1.00 0.00 H new ATOM 189 N ILE A 14 -6.939 -1.765 -3.147 1.00 0.00 N ATOM 190 CA ILE A 14 -6.765 -0.603 -4.011 1.00 0.00 C ATOM 191 C ILE A 14 -8.043 -0.385 -4.831 1.00 0.00 C ATOM 192 O ILE A 14 -8.904 -1.268 -4.893 1.00 0.00 O ATOM 193 CB ILE A 14 -5.528 -0.779 -4.941 1.00 0.00 C ATOM 194 CG1 ILE A 14 -5.622 -2.049 -5.823 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.205 -0.757 -4.149 1.00 0.00 C ATOM 196 CD1 ILE A 14 -4.489 -2.186 -6.849 1.00 0.00 C ATOM 0 H ILE A 14 -7.542 -2.480 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.584 0.277 -3.393 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.532 0.080 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.621 -2.927 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.576 -2.042 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.368 -0.883 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.108 0.196 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.203 -1.569 -3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.629 -3.101 -7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.501 -1.328 -7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.531 -2.227 -6.330 1.00 0.00 H new ATOM 208 N ASP A 15 -8.142 0.762 -5.504 1.00 0.00 N ATOM 209 CA ASP A 15 -9.172 1.050 -6.500 1.00 0.00 C ATOM 210 C ASP A 15 -8.459 1.481 -7.775 1.00 0.00 C ATOM 211 O ASP A 15 -8.005 2.620 -7.883 1.00 0.00 O ATOM 212 CB ASP A 15 -10.179 2.109 -6.036 1.00 0.00 C ATOM 213 CG ASP A 15 -11.128 2.502 -7.181 1.00 0.00 C ATOM 214 OD1 ASP A 15 -11.659 1.601 -7.869 1.00 0.00 O ATOM 215 OD2 ASP A 15 -11.376 3.713 -7.372 1.00 0.00 O ATOM 0 H ASP A 15 -7.491 1.535 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.768 0.153 -6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.756 1.724 -5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.647 2.991 -5.680 1.00 0.00 H new ATOM 220 N SER A 16 -8.300 0.523 -8.690 1.00 0.00 N ATOM 221 CA SER A 16 -7.513 0.577 -9.918 1.00 0.00 C ATOM 222 C SER A 16 -8.130 1.498 -10.991 1.00 0.00 C ATOM 223 O SER A 16 -8.362 1.077 -12.127 1.00 0.00 O ATOM 224 CB SER A 16 -7.325 -0.865 -10.420 1.00 0.00 C ATOM 225 OG SER A 16 -6.934 -1.726 -9.358 1.00 0.00 O ATOM 0 H SER A 16 -8.756 -0.383 -8.580 1.00 0.00 H new ATOM 0 HA SER A 16 -6.543 1.025 -9.704 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.255 -1.225 -10.861 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.570 -0.885 -11.206 1.00 0.00 H new ATOM 0 HG SER A 16 -6.822 -2.637 -9.700 1.00 0.00 H new ATOM 231 N ASP A 17 -8.460 2.739 -10.625 1.00 0.00 N ATOM 232 CA ASP A 17 -9.241 3.666 -11.446 1.00 0.00 C ATOM 233 C ASP A 17 -8.575 3.983 -12.790 1.00 0.00 C ATOM 234 O ASP A 17 -9.260 4.093 -13.809 1.00 0.00 O ATOM 235 CB ASP A 17 -9.472 4.967 -10.674 1.00 0.00 C ATOM 236 CG ASP A 17 -10.424 5.878 -11.459 1.00 0.00 C ATOM 237 OD1 ASP A 17 -11.650 5.634 -11.388 1.00 0.00 O ATOM 238 OD2 ASP A 17 -9.962 6.845 -12.104 1.00 0.00 O ATOM 0 H ASP A 17 -8.184 3.136 -9.727 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.189 3.174 -11.665 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.892 4.748 -9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.522 5.475 -10.508 1.00 0.00 H new ATOM 243 N GLY A 18 -7.244 4.093 -12.799 1.00 0.00 N ATOM 244 CA GLY A 18 -6.436 4.284 -13.999 1.00 0.00 C ATOM 245 C GLY A 18 -5.071 4.848 -13.624 1.00 0.00 C ATOM 246 O GLY A 18 -4.050 4.212 -13.884 1.00 0.00 O ATOM 0 H GLY A 18 -6.686 4.050 -11.946 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.315 3.335 -14.521 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.943 4.963 -14.685 1.00 0.00 H new ATOM 250 N VAL A 19 -5.066 5.996 -12.938 1.00 0.00 N ATOM 251 CA VAL A 19 -3.886 6.634 -12.365 1.00 0.00 C ATOM 252 C VAL A 19 -4.347 7.217 -11.028 1.00 0.00 C ATOM 253 O VAL A 19 -5.321 7.974 -10.990 1.00 0.00 O ATOM 254 CB VAL A 19 -3.330 7.723 -13.311 1.00 0.00 C ATOM 255 CG1 VAL A 19 -2.040 8.339 -12.743 1.00 0.00 C ATOM 256 CG2 VAL A 19 -3.032 7.188 -14.722 1.00 0.00 C ATOM 0 H VAL A 19 -5.921 6.524 -12.762 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.068 5.928 -12.223 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.111 8.480 -13.385 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.669 9.102 -13.427 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.249 8.791 -11.774 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.286 7.560 -12.625 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.644 7.996 -15.343 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.292 6.390 -14.660 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.949 6.798 -15.164 1.00 0.00 H new ATOM 266 N PHE A 20 -3.699 6.826 -9.931 1.00 0.00 N ATOM 267 CA PHE A 20 -4.081 7.200 -8.572 1.00 0.00 C ATOM 268 C PHE A 20 -2.878 7.002 -7.651 1.00 0.00 C ATOM 269 O PHE A 20 -2.016 6.155 -7.915 1.00 0.00 O ATOM 270 CB PHE A 20 -5.264 6.343 -8.085 1.00 0.00 C ATOM 271 CG PHE A 20 -5.008 4.841 -8.131 1.00 0.00 C ATOM 272 CD1 PHE A 20 -5.069 4.143 -9.354 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.638 4.149 -6.963 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.722 2.783 -9.415 1.00 0.00 C ATOM 275 CE2 PHE A 20 -4.334 2.777 -7.015 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.367 2.095 -8.242 1.00 0.00 C ATOM 0 H PHE A 20 -2.875 6.226 -9.965 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.392 8.245 -8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.507 6.628 -7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.138 6.570 -8.695 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.385 4.657 -10.250 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.587 4.675 -6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.728 2.266 -10.363 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.075 2.247 -6.110 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.120 1.044 -8.284 1.00 0.00 H new ATOM 286 N LYS A 21 -2.814 7.796 -6.581 1.00 0.00 N ATOM 287 CA LYS A 21 -1.750 7.723 -5.588 1.00 0.00 C ATOM 288 C LYS A 21 -1.960 6.512 -4.687 1.00 0.00 C ATOM 289 O LYS A 21 -3.084 6.031 -4.516 1.00 0.00 O ATOM 290 CB LYS A 21 -1.716 9.021 -4.772 1.00 0.00 C ATOM 291 CG LYS A 21 -1.180 10.183 -5.622 1.00 0.00 C ATOM 292 CD LYS A 21 -1.264 11.514 -4.871 1.00 0.00 C ATOM 293 CE LYS A 21 -0.777 12.647 -5.786 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.921 13.985 -5.161 1.00 0.00 N ATOM 0 H LYS A 21 -3.509 8.515 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.789 7.607 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.718 9.258 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.087 8.887 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.144 9.985 -5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.750 10.250 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.290 11.702 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.655 11.474 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.270 12.479 -6.041 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.340 12.623 -6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.691 14.721 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.900 14.112 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.273 14.061 -4.351 1.00 0.00 H new ATOM 308 N TYR A 22 -0.875 6.040 -4.086 1.00 0.00 N ATOM 309 CA TYR A 22 -0.843 4.877 -3.220 1.00 0.00 C ATOM 310 C TYR A 22 0.220 5.127 -2.131 1.00 0.00 C ATOM 311 O TYR A 22 1.083 5.996 -2.292 1.00 0.00 O ATOM 312 CB TYR A 22 -0.586 3.612 -4.075 1.00 0.00 C ATOM 313 CG TYR A 22 0.786 3.021 -3.879 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.894 3.650 -4.467 1.00 0.00 C ATOM 315 CD2 TYR A 22 0.967 1.968 -2.963 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.189 3.280 -4.082 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.261 1.581 -2.587 1.00 0.00 C ATOM 318 CZ TYR A 22 3.374 2.255 -3.130 1.00 0.00 C ATOM 319 OH TYR A 22 4.628 1.926 -2.731 1.00 0.00 O ATOM 0 H TYR A 22 0.040 6.477 -4.195 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.794 4.709 -2.714 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.335 2.859 -3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.718 3.862 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.749 4.417 -5.214 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.109 1.458 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.045 3.778 -4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.404 0.772 -1.886 1.00 0.00 H new ATOM 0 HH TYR A 22 4.582 1.202 -2.072 1.00 0.00 H new ATOM 329 N VAL A 23 0.187 4.356 -1.042 1.00 0.00 N ATOM 330 CA VAL A 23 1.213 4.355 -0.003 1.00 0.00 C ATOM 331 C VAL A 23 1.545 2.918 0.391 1.00 0.00 C ATOM 332 O VAL A 23 0.723 2.002 0.260 1.00 0.00 O ATOM 333 CB VAL A 23 0.805 5.192 1.233 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.798 6.697 0.937 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.548 4.765 1.822 1.00 0.00 C ATOM 0 H VAL A 23 -0.572 3.701 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 23 2.104 4.831 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 23 1.571 4.992 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.506 7.243 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.795 7.012 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.088 6.907 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.781 5.387 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.327 4.884 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.497 3.721 2.130 1.00 0.00 H new ATOM 345 N LEU A 24 2.755 2.753 0.923 1.00 0.00 N ATOM 346 CA LEU A 24 3.254 1.512 1.490 1.00 0.00 C ATOM 347 C LEU A 24 3.248 1.758 2.992 1.00 0.00 C ATOM 348 O LEU A 24 3.883 2.716 3.439 1.00 0.00 O ATOM 349 CB LEU A 24 4.687 1.272 0.969 1.00 0.00 C ATOM 350 CG LEU A 24 5.225 -0.169 1.062 1.00 0.00 C ATOM 351 CD1 LEU A 24 4.974 -0.858 2.406 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.634 -1.014 -0.068 1.00 0.00 C ATOM 0 H LEU A 24 3.436 3.511 0.970 1.00 0.00 H new ATOM 0 HA LEU A 24 2.662 0.636 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.726 1.583 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.364 1.924 1.521 1.00 0.00 H new ATOM 0 HG LEU A 24 6.308 -0.088 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.386 -1.867 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.455 -0.290 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.902 -0.909 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.017 -2.032 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.547 -1.028 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.916 -0.585 -1.029 1.00 0.00 H new ATOM 364 N ILE A 25 2.545 0.943 3.776 1.00 0.00 N ATOM 365 CA ILE A 25 2.425 1.145 5.217 1.00 0.00 C ATOM 366 C ILE A 25 2.961 -0.110 5.892 1.00 0.00 C ATOM 367 O ILE A 25 2.499 -1.218 5.618 1.00 0.00 O ATOM 368 CB ILE A 25 0.968 1.489 5.618 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.474 2.771 4.907 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.842 1.641 7.145 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.996 3.115 5.190 1.00 0.00 C ATOM 0 H ILE A 25 2.043 0.125 3.430 1.00 0.00 H new ATOM 0 HA ILE A 25 3.011 2.003 5.547 1.00 0.00 H new ATOM 0 HB ILE A 25 0.336 0.661 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.099 3.609 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.608 2.653 3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.189 1.882 7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.128 0.707 7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.498 2.442 7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.266 4.026 4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.632 2.296 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.134 3.267 6.260 1.00 0.00 H new ATOM 383 N ARG A 26 3.965 0.063 6.748 1.00 0.00 N ATOM 384 CA ARG A 26 4.443 -0.979 7.639 1.00 0.00 C ATOM 385 C ARG A 26 3.499 -1.016 8.833 1.00 0.00 C ATOM 386 O ARG A 26 3.006 0.029 9.256 1.00 0.00 O ATOM 387 CB ARG A 26 5.886 -0.662 8.061 1.00 0.00 C ATOM 388 CG ARG A 26 6.505 -1.795 8.897 1.00 0.00 C ATOM 389 CD ARG A 26 8.039 -1.784 8.892 1.00 0.00 C ATOM 390 NE ARG A 26 8.626 -0.525 9.394 1.00 0.00 N ATOM 391 CZ ARG A 26 9.937 -0.315 9.581 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.815 -1.302 9.410 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.373 0.886 9.939 1.00 0.00 N ATOM 0 H ARG A 26 4.472 0.943 6.840 1.00 0.00 H new ATOM 0 HA ARG A 26 4.454 -1.956 7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.495 -0.493 7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.900 0.263 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.151 -1.714 9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.154 -2.753 8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.401 -2.612 9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.391 -1.959 7.875 1.00 0.00 H new ATOM 0 HE ARG A 26 7.988 0.240 9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.492 -2.229 9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.810 -1.130 9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.711 1.650 10.072 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.370 1.045 10.081 1.00 0.00 H new ATOM 407 N VAL A 27 3.293 -2.202 9.385 1.00 0.00 N ATOM 408 CA VAL A 27 2.371 -2.509 10.461 1.00 0.00 C ATOM 409 C VAL A 27 3.181 -3.340 11.459 1.00 0.00 C ATOM 410 O VAL A 27 4.002 -4.166 11.050 1.00 0.00 O ATOM 411 CB VAL A 27 1.169 -3.317 9.906 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.036 -3.411 10.937 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.578 -2.768 8.592 1.00 0.00 C ATOM 0 H VAL A 27 3.801 -3.029 9.070 1.00 0.00 H new ATOM 0 HA VAL A 27 1.962 -1.615 10.931 1.00 0.00 H new ATOM 0 HB VAL A 27 1.587 -4.301 9.692 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.791 -3.983 10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.402 -3.908 11.836 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.308 -2.409 11.191 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.257 -3.395 8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.227 -1.748 8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.345 -2.772 7.818 1.00 0.00 H new ATOM 423 N HIS A 28 2.937 -3.162 12.753 1.00 0.00 N ATOM 424 CA HIS A 28 3.559 -3.908 13.837 1.00 0.00 C ATOM 425 C HIS A 28 2.417 -4.413 14.717 1.00 0.00 C ATOM 426 O HIS A 28 1.448 -3.674 14.947 1.00 0.00 O ATOM 427 CB HIS A 28 4.490 -2.989 14.641 1.00 0.00 C ATOM 428 CG HIS A 28 5.492 -2.237 13.799 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.618 -2.758 13.208 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.436 -0.911 13.457 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.236 -1.769 12.542 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.551 -0.616 12.660 1.00 0.00 N ATOM 0 H HIS A 28 2.272 -2.464 13.087 1.00 0.00 H new ATOM 0 HA HIS A 28 4.161 -4.735 13.461 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.885 -2.271 15.194 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.027 -3.588 15.377 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.666 -0.213 13.751 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.156 -1.883 11.988 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.794 0.287 12.253 1.00 0.00 H new ATOM 440 N SER A 29 2.490 -5.660 15.187 1.00 0.00 N ATOM 441 CA SER A 29 1.408 -6.251 15.955 1.00 0.00 C ATOM 442 C SER A 29 1.261 -5.550 17.308 1.00 0.00 C ATOM 443 O SER A 29 2.153 -5.587 18.159 1.00 0.00 O ATOM 444 CB SER A 29 1.569 -7.772 16.097 1.00 0.00 C ATOM 445 OG SER A 29 2.910 -8.191 16.265 1.00 0.00 O ATOM 0 H SER A 29 3.291 -6.276 15.045 1.00 0.00 H new ATOM 0 HA SER A 29 0.480 -6.097 15.404 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.982 -8.112 16.950 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.155 -8.256 15.212 1.00 0.00 H new ATOM 0 HG SER A 29 2.940 -9.167 16.350 1.00 0.00 H new ATOM 451 N ALA A 30 0.107 -4.906 17.487 1.00 0.00 N ATOM 452 CA ALA A 30 -0.374 -4.355 18.743 1.00 0.00 C ATOM 453 C ALA A 30 -1.921 -4.398 18.830 1.00 0.00 C ATOM 454 O ALA A 30 -2.482 -3.520 19.489 1.00 0.00 O ATOM 455 CB ALA A 30 0.187 -2.930 18.905 1.00 0.00 C ATOM 0 H ALA A 30 -0.546 -4.750 16.719 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.017 -4.966 19.572 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.166 -2.504 19.844 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.276 -2.966 18.910 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.151 -2.309 18.075 1.00 0.00 H new ATOM 461 N PRO A 31 -2.665 -5.323 18.170 1.00 0.00 N ATOM 462 CA PRO A 31 -4.123 -5.249 18.172 1.00 0.00 C ATOM 463 C PRO A 31 -4.701 -5.325 19.594 1.00 0.00 C ATOM 464 O PRO A 31 -4.067 -5.826 20.531 1.00 0.00 O ATOM 465 CB PRO A 31 -4.631 -6.350 17.240 1.00 0.00 C ATOM 466 CG PRO A 31 -3.484 -7.352 17.186 1.00 0.00 C ATOM 467 CD PRO A 31 -2.247 -6.485 17.388 1.00 0.00 C ATOM 0 HA PRO A 31 -4.465 -4.283 17.801 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.542 -6.808 17.624 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.864 -5.958 16.250 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.575 -8.109 17.965 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.455 -7.878 16.232 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.467 -7.041 17.909 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.832 -6.176 16.429 1.00 0.00 H new ATOM 475 N ARG A 32 -5.913 -4.783 19.750 1.00 0.00 N ATOM 476 CA ARG A 32 -6.596 -4.527 21.023 1.00 0.00 C ATOM 477 C ARG A 32 -5.713 -3.763 22.027 1.00 0.00 C ATOM 478 O ARG A 32 -5.982 -3.800 23.228 1.00 0.00 O ATOM 479 CB ARG A 32 -7.176 -5.849 21.568 1.00 0.00 C ATOM 480 CG ARG A 32 -8.382 -5.663 22.514 1.00 0.00 C ATOM 481 CD ARG A 32 -8.245 -6.459 23.820 1.00 0.00 C ATOM 482 NE ARG A 32 -7.203 -5.879 24.686 1.00 0.00 N ATOM 483 CZ ARG A 32 -6.803 -6.340 25.875 1.00 0.00 C ATOM 484 NH1 ARG A 32 -7.317 -7.460 26.378 1.00 0.00 N ATOM 485 NH2 ARG A 32 -5.881 -5.667 26.556 1.00 0.00 N ATOM 0 H ARG A 32 -6.475 -4.495 18.949 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.433 -3.851 20.849 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.479 -6.474 20.728 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.391 -6.387 22.099 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.493 -4.605 22.749 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.292 -5.972 22.000 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.199 -6.466 24.348 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.999 -7.496 23.594 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.739 -5.038 24.342 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.024 -7.976 25.855 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.004 -7.802 27.286 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.487 -4.809 26.170 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.567 -6.009 27.465 1.00 0.00 H new ATOM 499 N SER A 33 -4.654 -3.095 21.558 1.00 0.00 N ATOM 500 CA SER A 33 -3.646 -2.429 22.375 1.00 0.00 C ATOM 501 C SER A 33 -3.090 -3.347 23.480 1.00 0.00 C ATOM 502 O SER A 33 -2.748 -2.869 24.565 1.00 0.00 O ATOM 503 CB SER A 33 -4.213 -1.096 22.891 1.00 0.00 C ATOM 504 OG SER A 33 -4.776 -0.339 21.826 1.00 0.00 O ATOM 0 H SER A 33 -4.473 -3.002 20.559 1.00 0.00 H new ATOM 0 HA SER A 33 -2.775 -2.198 21.761 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.973 -1.288 23.648 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.422 -0.521 23.373 1.00 0.00 H new ATOM 0 HG SER A 33 -5.132 0.504 22.177 1.00 0.00 H new ATOM 510 N GLY A 34 -3.023 -4.666 23.239 1.00 0.00 N ATOM 511 CA GLY A 34 -2.648 -5.621 24.279 1.00 0.00 C ATOM 512 C GLY A 34 -2.305 -7.030 23.797 1.00 0.00 C ATOM 513 O GLY A 34 -2.009 -7.880 24.640 1.00 0.00 O ATOM 0 H GLY A 34 -3.224 -5.089 22.333 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.789 -5.223 24.818 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.468 -5.692 24.994 1.00 0.00 H new ATOM 517 N ALA A 35 -2.328 -7.311 22.487 1.00 0.00 N ATOM 518 CA ALA A 35 -1.869 -8.595 21.962 1.00 0.00 C ATOM 519 C ALA A 35 -0.402 -8.851 22.367 1.00 0.00 C ATOM 520 O ALA A 35 0.397 -7.909 22.353 1.00 0.00 O ATOM 521 CB ALA A 35 -2.020 -8.606 20.440 1.00 0.00 C ATOM 0 H ALA A 35 -2.661 -6.662 21.774 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.478 -9.394 22.385 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.678 -9.564 20.047 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.068 -8.460 20.177 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.422 -7.803 20.009 1.00 0.00 H new ATOM 527 N PRO A 36 -0.017 -10.099 22.698 1.00 0.00 N ATOM 528 CA PRO A 36 1.323 -10.416 23.192 1.00 0.00 C ATOM 529 C PRO A 36 2.384 -10.489 22.082 1.00 0.00 C ATOM 530 O PRO A 36 3.580 -10.488 22.387 1.00 0.00 O ATOM 531 CB PRO A 36 1.169 -11.772 23.892 1.00 0.00 C ATOM 532 CG PRO A 36 0.051 -12.449 23.101 1.00 0.00 C ATOM 533 CD PRO A 36 -0.870 -11.280 22.755 1.00 0.00 C ATOM 0 HA PRO A 36 1.682 -9.629 23.856 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.093 -12.350 23.858 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.905 -11.655 24.943 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.430 -12.944 22.207 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.462 -13.207 23.693 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.370 -11.446 21.801 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.650 -11.162 23.507 1.00 0.00 H new ATOM 541 N ALA A 37 1.972 -10.587 20.811 1.00 0.00 N ATOM 542 CA ALA A 37 2.881 -10.685 19.673 1.00 0.00 C ATOM 543 C ALA A 37 3.736 -9.415 19.529 1.00 0.00 C ATOM 544 O ALA A 37 3.354 -8.337 19.994 1.00 0.00 O ATOM 545 CB ALA A 37 2.070 -10.950 18.398 1.00 0.00 C ATOM 0 H ALA A 37 0.987 -10.600 20.547 1.00 0.00 H new ATOM 0 HA ALA A 37 3.567 -11.515 19.840 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.746 -11.024 17.546 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.518 -11.884 18.505 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.369 -10.131 18.236 1.00 0.00 H new ATOM 551 N ALA A 38 4.879 -9.552 18.851 1.00 0.00 N ATOM 552 CA ALA A 38 5.799 -8.469 18.528 1.00 0.00 C ATOM 553 C ALA A 38 6.497 -8.833 17.214 1.00 0.00 C ATOM 554 O ALA A 38 7.634 -9.311 17.196 1.00 0.00 O ATOM 555 CB ALA A 38 6.786 -8.229 19.679 1.00 0.00 C ATOM 0 H ALA A 38 5.197 -10.456 18.501 1.00 0.00 H new ATOM 0 HA ALA A 38 5.265 -7.527 18.398 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.462 -7.416 19.415 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.235 -7.964 20.581 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.362 -9.136 19.859 1.00 0.00 H new ATOM 561 N GLU A 39 5.767 -8.666 16.117 1.00 0.00 N ATOM 562 CA GLU A 39 6.158 -8.976 14.749 1.00 0.00 C ATOM 563 C GLU A 39 5.668 -7.825 13.859 1.00 0.00 C ATOM 564 O GLU A 39 4.981 -6.914 14.339 1.00 0.00 O ATOM 565 CB GLU A 39 5.543 -10.321 14.309 1.00 0.00 C ATOM 566 CG GLU A 39 6.080 -11.525 15.097 1.00 0.00 C ATOM 567 CD GLU A 39 5.548 -12.854 14.531 1.00 0.00 C ATOM 568 OE1 GLU A 39 6.187 -13.434 13.622 1.00 0.00 O ATOM 569 OE2 GLU A 39 4.499 -13.349 15.001 1.00 0.00 O ATOM 0 H GLU A 39 4.822 -8.284 16.165 1.00 0.00 H new ATOM 0 HA GLU A 39 7.240 -9.076 14.667 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.460 -10.273 14.427 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.742 -10.473 13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.170 -11.525 15.065 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.792 -11.433 16.144 1.00 0.00 H new ATOM 576 N SER A 40 5.999 -7.862 12.567 1.00 0.00 N ATOM 577 CA SER A 40 5.675 -6.796 11.627 1.00 0.00 C ATOM 578 C SER A 40 5.262 -7.380 10.271 1.00 0.00 C ATOM 579 O SER A 40 5.583 -8.527 9.943 1.00 0.00 O ATOM 580 CB SER A 40 6.865 -5.838 11.476 1.00 0.00 C ATOM 581 OG SER A 40 7.429 -5.460 12.726 1.00 0.00 O ATOM 0 H SER A 40 6.504 -8.641 12.144 1.00 0.00 H new ATOM 0 HA SER A 40 4.830 -6.230 12.019 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.633 -6.313 10.865 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.541 -4.944 10.943 1.00 0.00 H new ATOM 0 HG SER A 40 7.051 -4.601 13.009 1.00 0.00 H new ATOM 587 N LYS A 41 4.524 -6.584 9.500 1.00 0.00 N ATOM 588 CA LYS A 41 3.910 -6.908 8.212 1.00 0.00 C ATOM 589 C LYS A 41 3.809 -5.584 7.447 1.00 0.00 C ATOM 590 O LYS A 41 3.985 -4.521 8.041 1.00 0.00 O ATOM 591 CB LYS A 41 2.550 -7.580 8.508 1.00 0.00 C ATOM 592 CG LYS A 41 1.665 -7.985 7.311 1.00 0.00 C ATOM 593 CD LYS A 41 0.417 -7.091 7.220 1.00 0.00 C ATOM 594 CE LYS A 41 -0.513 -7.403 6.036 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.118 -8.759 6.081 1.00 0.00 N ATOM 0 H LYS A 41 4.324 -5.624 9.779 1.00 0.00 H new ATOM 0 HA LYS A 41 4.476 -7.607 7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.742 -8.475 9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.972 -6.902 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.239 -7.909 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.363 -9.027 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.151 -7.188 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.736 -6.051 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.311 -6.661 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.050 -7.299 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.069 -8.729 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.524 -9.422 5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.185 -9.076 7.069 1.00 0.00 H new ATOM 609 N GLU A 42 3.521 -5.597 6.149 1.00 0.00 N ATOM 610 CA GLU A 42 3.331 -4.377 5.368 1.00 0.00 C ATOM 611 C GLU A 42 2.066 -4.533 4.529 1.00 0.00 C ATOM 612 O GLU A 42 1.667 -5.662 4.229 1.00 0.00 O ATOM 613 CB GLU A 42 4.543 -4.077 4.465 1.00 0.00 C ATOM 614 CG GLU A 42 5.908 -3.938 5.162 1.00 0.00 C ATOM 615 CD GLU A 42 6.547 -5.281 5.577 1.00 0.00 C ATOM 616 OE1 GLU A 42 6.601 -6.225 4.756 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.049 -5.386 6.718 1.00 0.00 O ATOM 0 H GLU A 42 3.412 -6.454 5.607 1.00 0.00 H new ATOM 0 HA GLU A 42 3.231 -3.533 6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.619 -4.872 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.342 -3.153 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.592 -3.414 4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.789 -3.316 6.049 1.00 0.00 H new ATOM 624 N ILE A 43 1.457 -3.415 4.133 1.00 0.00 N ATOM 625 CA ILE A 43 0.239 -3.358 3.334 1.00 0.00 C ATOM 626 C ILE A 43 0.384 -2.294 2.242 1.00 0.00 C ATOM 627 O ILE A 43 1.140 -1.328 2.392 1.00 0.00 O ATOM 628 CB ILE A 43 -1.011 -3.108 4.221 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.945 -1.810 5.058 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.277 -4.330 5.105 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.189 -1.513 5.913 1.00 0.00 C ATOM 0 H ILE A 43 1.815 -2.490 4.371 1.00 0.00 H new ATOM 0 HA ILE A 43 0.091 -4.325 2.853 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.849 -2.960 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.078 -1.866 5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.780 -0.970 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.155 -4.147 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.452 -5.203 4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.413 -4.511 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.041 -0.582 6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.061 -1.419 5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.348 -2.328 6.620 1.00 0.00 H new ATOM 643 N VAL A 44 -0.381 -2.467 1.164 1.00 0.00 N ATOM 644 CA VAL A 44 -0.401 -1.598 -0.009 1.00 0.00 C ATOM 645 C VAL A 44 -1.817 -1.032 -0.099 1.00 0.00 C ATOM 646 O VAL A 44 -2.775 -1.814 -0.163 1.00 0.00 O ATOM 647 CB VAL A 44 -0.045 -2.429 -1.266 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.024 -1.573 -2.535 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.283 -3.188 -1.128 1.00 0.00 C ATOM 0 H VAL A 44 -1.030 -3.250 1.083 1.00 0.00 H new ATOM 0 HA VAL A 44 0.325 -0.789 0.063 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.859 -3.149 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.277 -2.205 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.943 -1.100 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.787 -0.804 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.477 -3.751 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.093 -2.477 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.224 -3.875 -0.284 1.00 0.00 H new ATOM 659 N ARG A 45 -1.964 0.297 -0.086 1.00 0.00 N ATOM 660 CA ARG A 45 -3.249 1.005 -0.157 1.00 0.00 C ATOM 661 C ARG A 45 -3.144 2.052 -1.256 1.00 0.00 C ATOM 662 O ARG A 45 -2.079 2.651 -1.395 1.00 0.00 O ATOM 663 CB ARG A 45 -3.544 1.741 1.166 1.00 0.00 C ATOM 664 CG ARG A 45 -3.638 0.894 2.443 1.00 0.00 C ATOM 665 CD ARG A 45 -4.867 -0.030 2.515 1.00 0.00 C ATOM 666 NE ARG A 45 -4.574 -1.331 1.907 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.493 -2.513 2.523 1.00 0.00 C ATOM 668 NH1 ARG A 45 -4.990 -2.723 3.739 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.865 -3.495 1.901 1.00 0.00 N ATOM 0 H ARG A 45 -1.167 0.931 -0.024 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.043 0.284 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.766 2.489 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.485 2.279 1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.738 0.285 2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.652 1.561 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.164 -0.168 3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.709 0.435 2.002 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.414 -1.334 0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.455 -1.965 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.906 -3.642 4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.460 -3.338 0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.785 -4.410 2.344 1.00 0.00 H new ATOM 683 N GLY A 46 -4.222 2.342 -1.981 1.00 0.00 N ATOM 684 CA GLY A 46 -4.237 3.428 -2.953 1.00 0.00 C ATOM 685 C GLY A 46 -5.566 3.491 -3.678 1.00 0.00 C ATOM 686 O GLY A 46 -6.053 2.468 -4.161 1.00 0.00 O ATOM 0 H GLY A 46 -5.103 1.833 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.049 4.375 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.432 3.286 -3.674 1.00 0.00 H new ATOM 690 N TYR A 47 -6.153 4.685 -3.759 1.00 0.00 N ATOM 691 CA TYR A 47 -7.489 4.889 -4.310 1.00 0.00 C ATOM 692 C TYR A 47 -7.565 6.319 -4.836 1.00 0.00 C ATOM 693 O TYR A 47 -6.904 7.206 -4.290 1.00 0.00 O ATOM 694 CB TYR A 47 -8.562 4.707 -3.217 1.00 0.00 C ATOM 695 CG TYR A 47 -8.355 3.558 -2.241 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.532 3.755 -1.117 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.994 2.318 -2.427 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.354 2.729 -0.174 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.820 1.283 -1.491 1.00 0.00 C ATOM 700 CZ TYR A 47 -8.007 1.490 -0.352 1.00 0.00 C ATOM 701 OH TYR A 47 -7.869 0.527 0.597 1.00 0.00 O ATOM 0 H TYR A 47 -5.708 5.546 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.671 4.163 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.625 5.632 -2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.526 4.568 -3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.033 4.703 -0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.621 2.161 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.719 2.888 0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.307 0.331 -1.642 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.541 -0.172 0.454 1.00 0.00 H new ATOM 711 N LYS A 48 -8.409 6.574 -5.842 1.00 0.00 N ATOM 712 CA LYS A 48 -8.560 7.920 -6.408 1.00 0.00 C ATOM 713 C LYS A 48 -9.003 8.963 -5.378 1.00 0.00 C ATOM 714 O LYS A 48 -8.653 10.133 -5.537 1.00 0.00 O ATOM 715 CB LYS A 48 -9.498 7.920 -7.629 1.00 0.00 C ATOM 716 CG LYS A 48 -10.886 7.312 -7.362 1.00 0.00 C ATOM 717 CD LYS A 48 -11.869 7.660 -8.488 1.00 0.00 C ATOM 718 CE LYS A 48 -13.147 6.809 -8.436 1.00 0.00 C ATOM 719 NZ LYS A 48 -12.925 5.421 -8.907 1.00 0.00 N ATOM 0 H LYS A 48 -8.998 5.866 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.565 8.215 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.624 8.946 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.022 7.367 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.801 6.229 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.271 7.682 -6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.136 8.715 -8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.379 7.516 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.523 6.786 -7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.917 7.278 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.840 4.935 -8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.450 5.440 -9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.329 4.913 -8.222 1.00 0.00 H new ATOM 733 N TRP A 49 -9.755 8.577 -4.337 1.00 0.00 N ATOM 734 CA TRP A 49 -10.205 9.532 -3.327 1.00 0.00 C ATOM 735 C TRP A 49 -9.032 10.116 -2.531 1.00 0.00 C ATOM 736 O TRP A 49 -9.123 11.259 -2.080 1.00 0.00 O ATOM 737 CB TRP A 49 -11.307 8.940 -2.429 1.00 0.00 C ATOM 738 CG TRP A 49 -11.129 7.566 -1.841 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.835 6.472 -2.208 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.278 7.120 -0.735 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.499 5.399 -1.409 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.545 5.740 -0.476 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.315 7.738 0.088 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.883 5.021 0.533 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.597 7.010 1.056 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.868 5.648 1.271 1.00 0.00 C ATOM 0 H TRP A 49 -10.060 7.617 -4.177 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.661 10.371 -3.852 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.459 9.632 -1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.230 8.929 -3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.557 6.443 -3.010 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.907 4.468 -1.498 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.123 8.795 -0.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.153 3.996 0.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.832 7.502 1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.299 5.088 1.999 1.00 0.00 H new ATOM 757 N ALA A 50 -7.918 9.387 -2.393 1.00 0.00 N ATOM 758 CA ALA A 50 -6.700 9.913 -1.803 1.00 0.00 C ATOM 759 C ALA A 50 -5.912 10.667 -2.874 1.00 0.00 C ATOM 760 O ALA A 50 -4.912 10.182 -3.402 1.00 0.00 O ATOM 761 CB ALA A 50 -5.886 8.805 -1.145 1.00 0.00 C ATOM 0 H ALA A 50 -7.845 8.414 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.948 10.615 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.980 9.228 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.479 8.335 -0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.617 8.058 -1.892 1.00 0.00 H new ATOM 767 N GLU A 51 -6.378 11.870 -3.204 1.00 0.00 N ATOM 768 CA GLU A 51 -5.703 12.774 -4.134 1.00 0.00 C ATOM 769 C GLU A 51 -4.362 13.288 -3.556 1.00 0.00 C ATOM 770 O GLU A 51 -3.583 13.931 -4.261 1.00 0.00 O ATOM 771 CB GLU A 51 -6.684 13.913 -4.475 1.00 0.00 C ATOM 772 CG GLU A 51 -6.243 14.791 -5.655 1.00 0.00 C ATOM 773 CD GLU A 51 -7.360 15.760 -6.084 1.00 0.00 C ATOM 774 OE1 GLU A 51 -7.471 16.867 -5.508 1.00 0.00 O ATOM 775 OE2 GLU A 51 -8.127 15.438 -7.020 1.00 0.00 O ATOM 0 H GLU A 51 -7.247 12.250 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.434 12.248 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.659 13.482 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.811 14.544 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.355 15.358 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.965 14.158 -6.498 1.00 0.00 H new ATOM 782 N TYR A 52 -4.053 12.982 -2.292 1.00 0.00 N ATOM 783 CA TYR A 52 -2.789 13.252 -1.615 1.00 0.00 C ATOM 784 C TYR A 52 -2.431 12.001 -0.807 1.00 0.00 C ATOM 785 O TYR A 52 -3.327 11.294 -0.332 1.00 0.00 O ATOM 786 CB TYR A 52 -2.854 14.529 -0.756 1.00 0.00 C ATOM 787 CG TYR A 52 -4.201 14.908 -0.169 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.163 15.515 -0.997 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.477 14.707 1.195 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.412 15.897 -0.477 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.719 15.095 1.729 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.696 15.688 0.894 1.00 0.00 C ATOM 793 OH TYR A 52 -7.897 16.058 1.421 1.00 0.00 O ATOM 0 H TYR A 52 -4.721 12.511 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.001 13.454 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.147 14.418 0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.505 15.363 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.940 15.689 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.734 14.254 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.152 16.348 -1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.927 14.940 2.777 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.917 15.838 2.376 1.00 0.00 H new ATOM 803 N HIS A 53 -1.139 11.691 -0.680 1.00 0.00 N ATOM 804 CA HIS A 53 -0.674 10.435 -0.094 1.00 0.00 C ATOM 805 C HIS A 53 -0.983 10.425 1.399 1.00 0.00 C ATOM 806 O HIS A 53 -1.334 9.382 1.957 1.00 0.00 O ATOM 807 CB HIS A 53 0.838 10.260 -0.302 1.00 0.00 C ATOM 808 CG HIS A 53 1.312 10.416 -1.726 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.749 11.580 -2.285 1.00 0.00 N flip ATOM 810 CD2 HIS A 53 1.463 9.385 -2.655 1.00 0.00 C flip ATOM 811 CE1 HIS A 53 2.178 11.276 -3.554 1.00 0.00 C flip ATOM 812 NE2 HIS A 53 1.990 9.962 -3.749 1.00 0.00 N flip ATOM 0 H HIS A 53 -0.384 12.307 -0.982 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.190 9.612 -0.588 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.361 10.987 0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.126 9.271 0.054 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.210 8.343 -2.523 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.593 11.972 -4.268 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.217 9.467 -4.612 1.00 0.00 H new ATOM 820 N ALA A 54 -0.912 11.595 2.043 1.00 0.00 N ATOM 821 CA ALA A 54 -1.290 11.744 3.438 1.00 0.00 C ATOM 822 C ALA A 54 -2.726 11.280 3.717 1.00 0.00 C ATOM 823 O ALA A 54 -3.003 10.885 4.849 1.00 0.00 O ATOM 824 CB ALA A 54 -1.107 13.199 3.880 1.00 0.00 C ATOM 0 H ALA A 54 -0.591 12.459 1.606 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.631 11.098 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.393 13.300 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.063 13.487 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.735 13.847 3.268 1.00 0.00 H new ATOM 830 N ASP A 55 -3.637 11.310 2.735 1.00 0.00 N ATOM 831 CA ASP A 55 -5.037 10.966 2.982 1.00 0.00 C ATOM 832 C ASP A 55 -5.193 9.476 3.281 1.00 0.00 C ATOM 833 O ASP A 55 -5.816 9.107 4.277 1.00 0.00 O ATOM 834 CB ASP A 55 -5.928 11.323 1.790 1.00 0.00 C ATOM 835 CG ASP A 55 -7.404 11.290 2.217 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.844 12.206 2.948 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.128 10.357 1.814 1.00 0.00 O ATOM 0 H ASP A 55 -3.429 11.567 1.770 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.351 11.549 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.670 12.313 1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.760 10.620 0.975 1.00 0.00 H new ATOM 842 N ILE A 56 -4.582 8.618 2.452 1.00 0.00 N ATOM 843 CA ILE A 56 -4.587 7.175 2.672 1.00 0.00 C ATOM 844 C ILE A 56 -3.807 6.838 3.932 1.00 0.00 C ATOM 845 O ILE A 56 -4.238 5.944 4.663 1.00 0.00 O ATOM 846 CB ILE A 56 -4.056 6.335 1.477 1.00 0.00 C ATOM 847 CG1 ILE A 56 -3.089 7.074 0.517 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.239 5.637 0.794 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.873 6.403 -0.841 1.00 0.00 C ATOM 0 H ILE A 56 -4.075 8.908 1.616 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.636 6.898 2.783 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.391 5.571 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.470 8.081 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.122 7.177 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.876 5.045 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.738 4.984 1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.944 6.386 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.181 6.999 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.458 5.406 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.826 6.325 -1.364 1.00 0.00 H new ATOM 861 N TYR A 57 -2.694 7.531 4.208 1.00 0.00 N ATOM 862 CA TYR A 57 -1.969 7.251 5.432 1.00 0.00 C ATOM 863 C TYR A 57 -2.858 7.555 6.635 1.00 0.00 C ATOM 864 O TYR A 57 -3.029 6.670 7.461 1.00 0.00 O ATOM 865 CB TYR A 57 -0.629 7.990 5.515 1.00 0.00 C ATOM 866 CG TYR A 57 0.122 7.672 6.801 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.391 6.331 7.149 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.505 8.705 7.677 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.031 6.019 8.361 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.154 8.404 8.888 1.00 0.00 C ATOM 871 CZ TYR A 57 1.415 7.059 9.240 1.00 0.00 C ATOM 872 OH TYR A 57 2.023 6.784 10.429 1.00 0.00 O ATOM 0 H TYR A 57 -2.295 8.262 3.618 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.717 6.191 5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.012 7.718 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.804 9.064 5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.102 5.536 6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.300 9.733 7.418 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.229 4.989 8.620 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.454 9.202 9.551 1.00 0.00 H new ATOM 0 HH TYR A 57 2.215 7.622 10.900 1.00 0.00 H new ATOM 882 N ASP A 58 -3.488 8.731 6.715 1.00 0.00 N ATOM 883 CA ASP A 58 -4.333 9.094 7.855 1.00 0.00 C ATOM 884 C ASP A 58 -5.519 8.137 8.019 1.00 0.00 C ATOM 885 O ASP A 58 -5.802 7.681 9.128 1.00 0.00 O ATOM 886 CB ASP A 58 -4.843 10.530 7.702 1.00 0.00 C ATOM 887 CG ASP A 58 -5.791 10.894 8.857 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.307 11.165 9.978 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.023 10.939 8.643 1.00 0.00 O ATOM 0 H ASP A 58 -3.427 9.453 5.997 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.717 9.018 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.000 11.221 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.363 10.637 6.750 1.00 0.00 H new ATOM 894 N LYS A 59 -6.186 7.794 6.911 1.00 0.00 N ATOM 895 CA LYS A 59 -7.299 6.848 6.883 1.00 0.00 C ATOM 896 C LYS A 59 -6.870 5.500 7.455 1.00 0.00 C ATOM 897 O LYS A 59 -7.500 4.991 8.384 1.00 0.00 O ATOM 898 CB LYS A 59 -7.760 6.710 5.416 1.00 0.00 C ATOM 899 CG LYS A 59 -8.892 5.695 5.161 1.00 0.00 C ATOM 900 CD LYS A 59 -10.313 6.278 5.171 1.00 0.00 C ATOM 901 CE LYS A 59 -10.547 7.289 4.036 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.938 7.807 4.024 1.00 0.00 N ATOM 0 H LYS A 59 -5.960 8.176 5.993 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.123 7.208 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.089 7.688 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.900 6.426 4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.720 5.219 4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.833 4.913 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.035 5.466 5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.495 6.765 6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.852 8.122 4.145 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.329 6.815 3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.049 8.485 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.602 7.017 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.139 8.283 4.927 1.00 0.00 H new ATOM 916 N VAL A 60 -5.803 4.919 6.914 1.00 0.00 N ATOM 917 CA VAL A 60 -5.463 3.542 7.216 1.00 0.00 C ATOM 918 C VAL A 60 -4.635 3.425 8.493 1.00 0.00 C ATOM 919 O VAL A 60 -4.875 2.484 9.242 1.00 0.00 O ATOM 920 CB VAL A 60 -4.857 2.878 5.964 1.00 0.00 C ATOM 921 CG1 VAL A 60 -4.509 1.406 6.239 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.889 2.951 4.814 1.00 0.00 C ATOM 0 H VAL A 60 -5.164 5.382 6.267 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.363 2.974 7.452 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.942 3.404 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.083 0.959 5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.784 1.349 7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.413 0.865 6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.473 2.484 3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.798 2.426 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.124 3.994 4.602 1.00 0.00 H new ATOM 932 N SER A 61 -3.749 4.364 8.835 1.00 0.00 N ATOM 933 CA SER A 61 -3.116 4.346 10.149 1.00 0.00 C ATOM 934 C SER A 61 -4.181 4.533 11.231 1.00 0.00 C ATOM 935 O SER A 61 -4.062 3.939 12.302 1.00 0.00 O ATOM 936 CB SER A 61 -1.989 5.383 10.252 1.00 0.00 C ATOM 937 OG SER A 61 -2.475 6.710 10.337 1.00 0.00 O ATOM 0 H SER A 61 -3.460 5.132 8.230 1.00 0.00 H new ATOM 0 HA SER A 61 -2.642 3.376 10.300 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.380 5.166 11.130 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.338 5.294 9.382 1.00 0.00 H new ATOM 0 HG SER A 61 -2.748 7.016 9.447 1.00 0.00 H new ATOM 943 N GLY A 62 -5.237 5.305 10.952 1.00 0.00 N ATOM 944 CA GLY A 62 -6.401 5.415 11.809 1.00 0.00 C ATOM 945 C GLY A 62 -7.058 4.052 11.988 1.00 0.00 C ATOM 946 O GLY A 62 -7.236 3.616 13.120 1.00 0.00 O ATOM 0 H GLY A 62 -5.298 5.876 10.109 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.109 5.816 12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.115 6.116 11.376 1.00 0.00 H new ATOM 950 N ASP A 63 -7.378 3.345 10.899 1.00 0.00 N ATOM 951 CA ASP A 63 -8.006 2.023 10.980 1.00 0.00 C ATOM 952 C ASP A 63 -7.136 1.022 11.737 1.00 0.00 C ATOM 953 O ASP A 63 -7.630 0.322 12.619 1.00 0.00 O ATOM 954 CB ASP A 63 -8.338 1.468 9.594 1.00 0.00 C ATOM 955 CG ASP A 63 -9.101 0.140 9.739 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.349 0.176 9.839 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.464 -0.935 9.746 1.00 0.00 O ATOM 0 H ASP A 63 -7.211 3.669 9.946 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.935 2.161 11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.941 2.186 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.422 1.312 9.024 1.00 0.00 H new ATOM 962 N MET A 64 -5.834 0.994 11.451 1.00 0.00 N ATOM 963 CA MET A 64 -4.890 0.105 12.114 1.00 0.00 C ATOM 964 C MET A 64 -4.871 0.391 13.608 1.00 0.00 C ATOM 965 O MET A 64 -5.016 -0.536 14.399 1.00 0.00 O ATOM 966 CB MET A 64 -3.488 0.266 11.516 1.00 0.00 C ATOM 967 CG MET A 64 -3.406 -0.210 10.058 1.00 0.00 C ATOM 968 SD MET A 64 -3.478 -2.003 9.855 1.00 0.00 S ATOM 969 CE MET A 64 -5.185 -2.130 9.274 1.00 0.00 C ATOM 0 H MET A 64 -5.405 1.594 10.746 1.00 0.00 H new ATOM 0 HA MET A 64 -5.208 -0.926 11.958 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.193 1.314 11.569 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.774 -0.296 12.118 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.223 0.241 9.495 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.477 0.156 9.620 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.546 -3.147 9.424 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.812 -1.436 9.833 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.228 -1.883 8.213 1.00 0.00 H new ATOM 979 N GLN A 65 -4.766 1.657 14.012 1.00 0.00 N ATOM 980 CA GLN A 65 -4.750 2.041 15.412 1.00 0.00 C ATOM 981 C GLN A 65 -6.109 1.807 16.083 1.00 0.00 C ATOM 982 O GLN A 65 -6.144 1.516 17.278 1.00 0.00 O ATOM 983 CB GLN A 65 -4.312 3.504 15.518 1.00 0.00 C ATOM 984 CG GLN A 65 -2.802 3.673 15.267 1.00 0.00 C ATOM 985 CD GLN A 65 -2.417 5.149 15.197 1.00 0.00 C ATOM 986 OE1 GLN A 65 -1.849 5.716 16.128 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.732 5.804 14.092 1.00 0.00 N ATOM 0 H GLN A 65 -4.690 2.445 13.369 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.037 1.413 15.946 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.869 4.102 14.797 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.560 3.886 16.508 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.241 3.185 16.064 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.528 3.178 14.335 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.203 5.319 13.328 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.504 6.794 14.003 1.00 0.00 H new ATOM 996 N LYS A 66 -7.221 1.871 15.341 1.00 0.00 N ATOM 997 CA LYS A 66 -8.531 1.467 15.847 1.00 0.00 C ATOM 998 C LYS A 66 -8.566 -0.046 16.091 1.00 0.00 C ATOM 999 O LYS A 66 -9.139 -0.458 17.100 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.654 1.951 14.910 1.00 0.00 C ATOM 1001 CG LYS A 66 -9.922 3.457 15.100 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.034 4.019 14.199 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.646 4.087 12.711 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.730 4.672 11.881 1.00 0.00 N ATOM 0 H LYS A 66 -7.235 2.204 14.377 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.706 1.947 16.810 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.378 1.755 13.874 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.566 1.388 15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.187 3.639 16.141 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.000 4.006 14.906 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.924 3.399 14.306 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.298 5.019 14.543 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.741 4.684 12.599 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.414 3.085 12.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.429 4.700 10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.587 4.089 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.935 5.638 12.208 1.00 0.00 H new ATOM 1018 N GLN A 67 -7.934 -0.875 15.244 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.752 -2.295 15.564 1.00 0.00 C ATOM 1020 C GLN A 67 -6.761 -2.457 16.730 1.00 0.00 C ATOM 1021 O GLN A 67 -6.866 -3.411 17.496 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.279 -3.106 14.342 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.289 -3.092 13.179 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.842 -3.968 12.004 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.484 -5.129 12.173 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.860 -3.463 10.781 1.00 0.00 N ATOM 0 H GLN A 67 -7.546 -0.589 14.345 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.723 -2.690 15.862 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.327 -2.705 13.994 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.098 -4.137 14.646 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.258 -3.439 13.539 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.426 -2.067 12.833 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.156 -2.498 10.632 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.578 -4.038 9.987 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.803 -1.538 16.868 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.813 -1.435 17.938 1.00 0.00 C ATOM 1037 C GLY A 68 -3.381 -1.370 17.388 1.00 0.00 C ATOM 1038 O GLY A 68 -2.484 -0.875 18.069 1.00 0.00 O ATOM 0 H GLY A 68 -5.692 -0.791 16.182 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.014 -0.545 18.534 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.908 -2.293 18.604 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.176 -1.861 16.160 1.00 0.00 N ATOM 1043 CA CYS A 69 -1.894 -1.953 15.473 1.00 0.00 C ATOM 1044 C CYS A 69 -1.185 -0.600 15.381 1.00 0.00 C ATOM 1045 O CYS A 69 -1.823 0.450 15.302 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.134 -2.520 14.069 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.583 -4.276 14.195 1.00 0.00 S ATOM 0 H CYS A 69 -3.944 -2.222 15.594 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.242 -2.611 16.048 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.929 -1.965 13.572 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.237 -2.406 13.460 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.378 -4.859 13.051 1.00 0.00 H new ATOM 1053 N ASP A 70 0.145 -0.644 15.322 1.00 0.00 N ATOM 1054 CA ASP A 70 1.005 0.532 15.200 1.00 0.00 C ATOM 1055 C ASP A 70 1.629 0.508 13.808 1.00 0.00 C ATOM 1056 O ASP A 70 1.989 -0.573 13.335 1.00 0.00 O ATOM 1057 CB ASP A 70 2.071 0.490 16.295 1.00 0.00 C ATOM 1058 CG ASP A 70 3.071 1.646 16.132 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.646 2.822 16.167 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.285 1.384 15.988 1.00 0.00 O ATOM 0 H ASP A 70 0.667 -1.520 15.359 1.00 0.00 H new ATOM 0 HA ASP A 70 0.440 1.456 15.323 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.595 0.551 17.274 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.600 -0.462 16.256 1.00 0.00 H new ATOM 1065 N CYS A 71 1.760 1.666 13.150 1.00 0.00 N ATOM 1066 CA CYS A 71 2.117 1.739 11.736 1.00 0.00 C ATOM 1067 C CYS A 71 3.030 2.912 11.383 1.00 0.00 C ATOM 1068 O CYS A 71 3.126 3.886 12.133 1.00 0.00 O ATOM 1069 CB CYS A 71 0.824 1.897 10.925 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.148 0.379 10.992 1.00 0.00 S ATOM 0 H CYS A 71 1.621 2.577 13.587 1.00 0.00 H new ATOM 0 HA CYS A 71 2.662 0.824 11.503 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.239 2.729 11.319 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.064 2.138 9.889 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.629 0.224 12.190 1.00 0.00 H new ATOM 1076 N GLU A 72 3.630 2.850 10.190 1.00 0.00 N ATOM 1077 CA GLU A 72 4.467 3.889 9.609 1.00 0.00 C ATOM 1078 C GLU A 72 4.350 3.778 8.085 1.00 0.00 C ATOM 1079 O GLU A 72 4.544 2.690 7.542 1.00 0.00 O ATOM 1080 CB GLU A 72 5.906 3.633 10.085 1.00 0.00 C ATOM 1081 CG GLU A 72 6.943 4.513 9.382 1.00 0.00 C ATOM 1082 CD GLU A 72 8.343 4.309 9.981 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.849 3.165 9.966 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.952 5.293 10.462 1.00 0.00 O ATOM 0 H GLU A 72 3.538 2.037 9.582 1.00 0.00 H new ATOM 0 HA GLU A 72 4.167 4.893 9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.962 3.806 11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.156 2.585 9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.962 4.278 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.655 5.561 9.472 1.00 0.00 H new ATOM 1091 N CYS A 73 4.023 4.864 7.376 1.00 0.00 N ATOM 1092 CA CYS A 73 4.117 4.879 5.919 1.00 0.00 C ATOM 1093 C CYS A 73 5.608 4.873 5.557 1.00 0.00 C ATOM 1094 O CYS A 73 6.354 5.775 5.947 1.00 0.00 O ATOM 1095 CB CYS A 73 3.361 6.071 5.300 1.00 0.00 C ATOM 1096 SG CYS A 73 3.649 7.600 6.235 1.00 0.00 S ATOM 0 H CYS A 73 3.693 5.737 7.788 1.00 0.00 H new ATOM 0 HA CYS A 73 3.633 3.997 5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.681 6.209 4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.293 5.853 5.277 1.00 0.00 H new ATOM 0 HG CYS A 73 4.157 8.501 5.447 1.00 0.00 H new ATOM 1102 N LEU A 74 6.058 3.852 4.822 1.00 0.00 N ATOM 1103 CA LEU A 74 7.427 3.786 4.321 1.00 0.00 C ATOM 1104 C LEU A 74 7.638 4.815 3.202 1.00 0.00 C ATOM 1105 O LEU A 74 8.772 5.225 2.957 1.00 0.00 O ATOM 1106 CB LEU A 74 7.765 2.366 3.830 1.00 0.00 C ATOM 1107 CG LEU A 74 7.687 1.258 4.902 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.186 -0.066 4.312 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.508 1.582 6.158 1.00 0.00 C ATOM 0 H LEU A 74 5.483 3.052 4.560 1.00 0.00 H new ATOM 0 HA LEU A 74 8.104 4.026 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.086 2.110 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.772 2.374 3.413 1.00 0.00 H new ATOM 0 HG LEU A 74 6.642 1.183 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.130 -0.847 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.564 -0.342 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.219 0.048 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.414 0.766 6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.556 1.706 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.138 2.504 6.607 1.00 0.00 H new ATOM 1121 N GLY A 75 6.561 5.245 2.537 1.00 0.00 N ATOM 1122 CA GLY A 75 6.558 6.322 1.559 1.00 0.00 C ATOM 1123 C GLY A 75 5.253 6.297 0.770 1.00 0.00 C ATOM 1124 O GLY A 75 4.329 5.549 1.111 1.00 0.00 O ATOM 0 H GLY A 75 5.638 4.834 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.672 7.283 2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.405 6.214 0.882 1.00 0.00 H new ATOM 1128 N GLY A 76 5.200 7.082 -0.305 1.00 0.00 N ATOM 1129 CA GLY A 76 4.084 7.115 -1.239 1.00 0.00 C ATOM 1130 C GLY A 76 4.583 7.126 -2.679 1.00 0.00 C ATOM 1131 O GLY A 76 5.790 7.198 -2.924 1.00 0.00 O ATOM 0 H GLY A 76 5.951 7.726 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.444 6.248 -1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.475 8.000 -1.054 1.00 0.00 H new ATOM 1135 N GLY A 77 3.648 7.051 -3.620 1.00 0.00 N ATOM 1136 CA GLY A 77 3.890 6.972 -5.052 1.00 0.00 C ATOM 1137 C GLY A 77 2.550 6.938 -5.783 1.00 0.00 C ATOM 1138 O GLY A 77 1.507 7.174 -5.170 1.00 0.00 O ATOM 0 H GLY A 77 2.654 7.043 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.477 7.829 -5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.469 6.079 -5.287 1.00 0.00 H new ATOM 1142 N ARG A 78 2.528 6.628 -7.079 1.00 0.00 N ATOM 1143 CA ARG A 78 1.286 6.429 -7.820 1.00 0.00 C ATOM 1144 C ARG A 78 1.423 5.225 -8.737 1.00 0.00 C ATOM 1145 O ARG A 78 2.538 4.754 -8.983 1.00 0.00 O ATOM 1146 CB ARG A 78 0.842 7.731 -8.515 1.00 0.00 C ATOM 1147 CG ARG A 78 1.521 8.095 -9.843 1.00 0.00 C ATOM 1148 CD ARG A 78 0.975 9.466 -10.278 1.00 0.00 C ATOM 1149 NE ARG A 78 1.184 9.755 -11.707 1.00 0.00 N ATOM 1150 CZ ARG A 78 1.044 10.966 -12.274 1.00 0.00 C ATOM 1151 NH1 ARG A 78 0.787 12.035 -11.523 1.00 0.00 N ATOM 1152 NH2 ARG A 78 1.148 11.116 -13.591 1.00 0.00 N ATOM 0 H ARG A 78 3.370 6.508 -7.643 1.00 0.00 H new ATOM 0 HA ARG A 78 0.470 6.193 -7.137 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.232 7.668 -8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.002 8.555 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.604 8.134 -9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.311 7.340 -10.601 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.092 9.510 -10.059 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.454 10.244 -9.684 1.00 0.00 H new ATOM 0 HE ARG A 78 1.455 8.979 -12.311 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.695 11.938 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.682 12.951 -11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.336 10.307 -14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.040 12.040 -14.009 1.00 0.00 H new ATOM 1166 N ILE A 79 0.287 4.715 -9.204 1.00 0.00 N ATOM 1167 CA ILE A 79 0.205 3.447 -9.911 1.00 0.00 C ATOM 1168 C ILE A 79 -0.282 3.723 -11.335 1.00 0.00 C ATOM 1169 O ILE A 79 -1.292 4.405 -11.521 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.685 2.458 -9.112 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.027 2.081 -7.788 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -1.005 1.188 -9.923 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.769 1.165 -6.849 1.00 0.00 C ATOM 0 H ILE A 79 -0.614 5.180 -9.099 1.00 0.00 H new ATOM 0 HA ILE A 79 1.178 2.963 -9.993 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.632 2.952 -8.897 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.971 1.593 -8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.270 2.999 -7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.630 0.523 -9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.535 1.463 -10.835 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.077 0.678 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.181 0.963 -5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.702 1.654 -6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.990 0.226 -7.357 1.00 0.00 H new ATOM 1185 N SER A 80 0.441 3.133 -12.291 1.00 0.00 N ATOM 1186 CA SER A 80 0.214 3.079 -13.733 1.00 0.00 C ATOM 1187 C SER A 80 0.101 4.433 -14.448 1.00 0.00 C ATOM 1188 O SER A 80 0.006 5.495 -13.835 1.00 0.00 O ATOM 1189 CB SER A 80 -0.972 2.154 -14.016 1.00 0.00 C ATOM 1190 OG SER A 80 -0.677 0.859 -13.515 1.00 0.00 O ATOM 0 H SER A 80 1.292 2.627 -12.043 1.00 0.00 H new ATOM 0 HA SER A 80 1.122 2.667 -14.174 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.874 2.544 -13.545 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.166 2.108 -15.088 1.00 0.00 H new ATOM 0 HG SER A 80 -1.433 0.260 -13.691 1.00 0.00 H new ATOM 1196 N HIS A 81 0.162 4.382 -15.783 1.00 0.00 N ATOM 1197 CA HIS A 81 -0.033 5.514 -16.675 1.00 0.00 C ATOM 1198 C HIS A 81 -0.463 4.961 -18.031 1.00 0.00 C ATOM 1199 O HIS A 81 -0.122 3.821 -18.361 1.00 0.00 O ATOM 1200 CB HIS A 81 1.273 6.317 -16.817 1.00 0.00 C ATOM 1201 CG HIS A 81 1.024 7.766 -17.150 1.00 0.00 C ATOM 1202 ND1 HIS A 81 1.379 8.435 -18.301 1.00 0.00 N ATOM 1203 CD2 HIS A 81 0.399 8.671 -16.335 1.00 0.00 C ATOM 1204 CE1 HIS A 81 0.982 9.713 -18.175 1.00 0.00 C ATOM 1205 NE2 HIS A 81 0.377 9.909 -16.988 1.00 0.00 N ATOM 0 H HIS A 81 0.356 3.515 -16.284 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.793 6.186 -16.276 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.839 6.253 -15.887 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.889 5.869 -17.597 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.008 8.465 -15.356 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.128 10.478 -18.923 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.017 10.782 -16.636 1.00 0.00 H new ATOM 1213 N GLN A 82 -1.143 5.767 -18.851 1.00 0.00 N ATOM 1214 CA GLN A 82 -1.571 5.352 -20.190 1.00 0.00 C ATOM 1215 C GLN A 82 -0.373 4.916 -21.049 1.00 0.00 C ATOM 1216 O GLN A 82 -0.501 4.018 -21.881 1.00 0.00 O ATOM 1217 CB GLN A 82 -2.352 6.486 -20.875 1.00 0.00 C ATOM 1218 CG GLN A 82 -3.660 6.827 -20.139 1.00 0.00 C ATOM 1219 CD GLN A 82 -4.493 7.876 -20.885 1.00 0.00 C ATOM 1220 OE1 GLN A 82 -3.992 8.912 -21.318 1.00 0.00 O ATOM 1221 NE2 GLN A 82 -5.784 7.641 -21.057 1.00 0.00 N ATOM 0 H GLN A 82 -1.411 6.720 -18.607 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.230 4.490 -20.084 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.725 7.376 -20.926 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.580 6.198 -21.901 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.251 5.920 -20.014 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.426 7.195 -19.140 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.198 6.781 -20.697 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.365 8.320 -21.549 1.00 0.00 H new ATOM 1230 N SER A 83 0.802 5.503 -20.803 1.00 0.00 N ATOM 1231 CA SER A 83 2.060 5.194 -21.471 1.00 0.00 C ATOM 1232 C SER A 83 2.551 3.755 -21.239 1.00 0.00 C ATOM 1233 O SER A 83 3.426 3.296 -21.974 1.00 0.00 O ATOM 1234 CB SER A 83 3.129 6.187 -20.985 1.00 0.00 C ATOM 1235 OG SER A 83 2.589 7.489 -20.783 1.00 0.00 O ATOM 0 H SER A 83 0.902 6.237 -20.102 1.00 0.00 H new ATOM 0 HA SER A 83 1.885 5.284 -22.543 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.564 5.825 -20.053 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.937 6.238 -21.715 1.00 0.00 H new ATOM 0 HG SER A 83 2.314 7.588 -19.848 1.00 0.00 H new ATOM 1241 N GLN A 84 2.050 3.048 -20.215 1.00 0.00 N ATOM 1242 CA GLN A 84 2.565 1.746 -19.780 1.00 0.00 C ATOM 1243 C GLN A 84 1.444 0.751 -19.444 1.00 0.00 C ATOM 1244 O GLN A 84 1.751 -0.400 -19.155 1.00 0.00 O ATOM 1245 CB GLN A 84 3.476 1.943 -18.548 1.00 0.00 C ATOM 1246 CG GLN A 84 4.786 2.705 -18.813 1.00 0.00 C ATOM 1247 CD GLN A 84 5.790 1.890 -19.635 1.00 0.00 C ATOM 1248 OE1 GLN A 84 6.647 1.198 -19.090 1.00 0.00 O ATOM 1249 NE2 GLN A 84 5.721 1.947 -20.955 1.00 0.00 N ATOM 0 H GLN A 84 1.261 3.374 -19.657 1.00 0.00 H new ATOM 0 HA GLN A 84 3.131 1.322 -20.609 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.913 2.477 -17.782 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.722 0.963 -18.138 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.561 3.633 -19.339 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.240 2.980 -17.861 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.008 2.522 -21.404 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.380 1.416 -21.524 1.00 0.00 H new ATOM 1258 N ASP A 85 0.171 1.161 -19.521 1.00 0.00 N ATOM 1259 CA ASP A 85 -1.031 0.455 -19.045 1.00 0.00 C ATOM 1260 C ASP A 85 -1.125 -1.047 -19.361 1.00 0.00 C ATOM 1261 O ASP A 85 -1.749 -1.791 -18.603 1.00 0.00 O ATOM 1262 CB ASP A 85 -2.267 1.181 -19.590 1.00 0.00 C ATOM 1263 CG ASP A 85 -3.579 0.503 -19.158 1.00 0.00 C ATOM 1264 OD1 ASP A 85 -3.981 0.647 -17.982 1.00 0.00 O ATOM 1265 OD2 ASP A 85 -4.238 -0.138 -20.008 1.00 0.00 O ATOM 0 H ASP A 85 -0.065 2.057 -19.947 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.968 0.485 -17.957 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.262 2.214 -19.242 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.217 1.212 -20.678 1.00 0.00 H new ATOM 1270 N LYS A 86 -0.483 -1.520 -20.437 1.00 0.00 N ATOM 1271 CA LYS A 86 -0.368 -2.948 -20.756 1.00 0.00 C ATOM 1272 C LYS A 86 0.259 -3.790 -19.629 1.00 0.00 C ATOM 1273 O LYS A 86 0.094 -5.011 -19.633 1.00 0.00 O ATOM 1274 CB LYS A 86 0.375 -3.131 -22.094 1.00 0.00 C ATOM 1275 CG LYS A 86 1.863 -2.732 -22.046 1.00 0.00 C ATOM 1276 CD LYS A 86 2.519 -2.702 -23.437 1.00 0.00 C ATOM 1277 CE LYS A 86 2.474 -4.031 -24.213 1.00 0.00 C ATOM 1278 NZ LYS A 86 3.306 -5.098 -23.599 1.00 0.00 N ATOM 0 H LYS A 86 -0.024 -0.915 -21.118 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.383 -3.333 -20.857 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.299 -4.174 -22.400 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.125 -2.537 -22.859 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.956 -1.749 -21.585 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.402 -3.434 -21.410 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.029 -1.934 -24.035 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.561 -2.401 -23.323 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.441 -4.374 -24.273 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.812 -3.859 -25.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.233 -5.966 -24.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.298 -4.788 -23.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.970 -5.288 -22.633 1.00 0.00 H new ATOM 1292 N LYS A 87 0.951 -3.176 -18.665 1.00 0.00 N ATOM 1293 CA LYS A 87 1.475 -3.801 -17.451 1.00 0.00 C ATOM 1294 C LYS A 87 1.265 -2.778 -16.333 1.00 0.00 C ATOM 1295 O LYS A 87 1.363 -1.574 -16.581 1.00 0.00 O ATOM 1296 CB LYS A 87 2.959 -4.139 -17.681 1.00 0.00 C ATOM 1297 CG LYS A 87 3.602 -5.029 -16.611 1.00 0.00 C ATOM 1298 CD LYS A 87 5.107 -5.220 -16.881 1.00 0.00 C ATOM 1299 CE LYS A 87 5.486 -5.784 -18.263 1.00 0.00 C ATOM 1300 NZ LYS A 87 5.020 -7.177 -18.479 1.00 0.00 N ATOM 0 H LYS A 87 1.171 -2.181 -18.714 1.00 0.00 H new ATOM 0 HA LYS A 87 0.976 -4.734 -17.186 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.056 -4.633 -18.648 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.522 -3.207 -17.741 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.460 -4.581 -15.627 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.106 -6.000 -16.594 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.602 -4.257 -16.757 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.510 -5.886 -16.118 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.064 -5.143 -19.037 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.569 -5.749 -18.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.322 -7.502 -19.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.429 -7.797 -17.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.982 -7.209 -18.418 1.00 0.00 H new ATOM 1314 N ILE A 88 0.931 -3.215 -15.119 1.00 0.00 N ATOM 1315 CA ILE A 88 0.751 -2.275 -14.014 1.00 0.00 C ATOM 1316 C ILE A 88 2.146 -1.705 -13.704 1.00 0.00 C ATOM 1317 O ILE A 88 3.151 -2.407 -13.852 1.00 0.00 O ATOM 1318 CB ILE A 88 0.055 -2.962 -12.812 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -1.339 -3.548 -13.159 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -0.165 -1.984 -11.640 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.331 -4.972 -13.729 1.00 0.00 C ATOM 0 H ILE A 88 0.782 -4.195 -14.878 1.00 0.00 H new ATOM 0 HA ILE A 88 0.083 -1.452 -14.268 1.00 0.00 H new ATOM 0 HB ILE A 88 0.736 -3.767 -12.537 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.953 -3.539 -12.258 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.822 -2.889 -13.880 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.655 -2.506 -10.818 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.797 -1.598 -11.303 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.792 -1.156 -11.970 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.354 -5.286 -13.937 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.750 -4.991 -14.651 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.883 -5.652 -13.004 1.00 0.00 H new ATOM 1333 N HIS A 89 2.237 -0.448 -13.267 1.00 0.00 N ATOM 1334 CA HIS A 89 3.517 0.178 -12.947 1.00 0.00 C ATOM 1335 C HIS A 89 3.395 0.938 -11.629 1.00 0.00 C ATOM 1336 O HIS A 89 2.286 1.296 -11.240 1.00 0.00 O ATOM 1337 CB HIS A 89 3.956 1.085 -14.107 1.00 0.00 C ATOM 1338 CG HIS A 89 5.444 1.333 -14.130 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.417 0.379 -14.329 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.082 2.538 -14.005 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.610 0.995 -14.325 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.459 2.315 -14.122 1.00 0.00 N ATOM 0 H HIS A 89 1.430 0.160 -13.126 1.00 0.00 H new ATOM 0 HA HIS A 89 4.289 -0.581 -12.820 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.654 0.631 -15.051 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.435 2.040 -14.032 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.606 3.494 -13.844 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.559 0.499 -14.465 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.199 3.014 -14.065 1.00 0.00 H new ATOM 1350 N VAL A 90 4.506 1.219 -10.950 1.00 0.00 N ATOM 1351 CA VAL A 90 4.521 1.938 -9.679 1.00 0.00 C ATOM 1352 C VAL A 90 5.732 2.873 -9.700 1.00 0.00 C ATOM 1353 O VAL A 90 6.809 2.480 -10.152 1.00 0.00 O ATOM 1354 CB VAL A 90 4.583 0.955 -8.485 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.177 1.684 -7.197 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.681 -0.286 -8.624 1.00 0.00 C ATOM 0 H VAL A 90 5.435 0.949 -11.273 1.00 0.00 H new ATOM 0 HA VAL A 90 3.604 2.514 -9.553 1.00 0.00 H new ATOM 0 HB VAL A 90 5.614 0.602 -8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.221 0.991 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.860 2.514 -7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.161 2.065 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.791 -0.916 -7.741 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.642 0.028 -8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.972 -0.850 -9.511 1.00 0.00 H new ATOM 1366 N TYR A 91 5.562 4.121 -9.268 1.00 0.00 N ATOM 1367 CA TYR A 91 6.584 5.159 -9.372 1.00 0.00 C ATOM 1368 C TYR A 91 6.200 6.351 -8.489 1.00 0.00 C ATOM 1369 O TYR A 91 5.187 6.295 -7.794 1.00 0.00 O ATOM 1370 CB TYR A 91 6.706 5.581 -10.844 1.00 0.00 C ATOM 1371 CG TYR A 91 5.445 6.152 -11.465 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.456 5.307 -12.005 1.00 0.00 C ATOM 1373 CD2 TYR A 91 5.283 7.545 -11.537 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.358 5.854 -12.688 1.00 0.00 C ATOM 1375 CE2 TYR A 91 4.223 8.099 -12.266 1.00 0.00 C ATOM 1376 CZ TYR A 91 3.278 7.251 -12.882 1.00 0.00 C ATOM 1377 OH TYR A 91 2.319 7.789 -13.683 1.00 0.00 O ATOM 0 H TYR A 91 4.699 4.443 -8.830 1.00 0.00 H new ATOM 0 HA TYR A 91 7.547 4.781 -9.028 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.500 6.324 -10.927 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.018 4.715 -11.428 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.542 4.236 -11.893 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.980 8.193 -11.027 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.577 5.209 -13.064 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.129 9.171 -12.356 1.00 0.00 H new ATOM 0 HH TYR A 91 1.566 7.166 -13.755 1.00 0.00 H new ATOM 1387 N GLY A 92 6.957 7.451 -8.542 1.00 0.00 N ATOM 1388 CA GLY A 92 6.591 8.696 -7.879 1.00 0.00 C ATOM 1389 C GLY A 92 7.099 8.752 -6.444 1.00 0.00 C ATOM 1390 O GLY A 92 7.924 7.934 -6.025 1.00 0.00 O ATOM 0 H GLY A 92 7.841 7.498 -9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.997 9.538 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.506 8.803 -7.884 1.00 0.00 H new ATOM 1394 N TYR A 93 6.645 9.762 -5.703 1.00 0.00 N ATOM 1395 CA TYR A 93 7.038 10.001 -4.324 1.00 0.00 C ATOM 1396 C TYR A 93 6.004 10.889 -3.637 1.00 0.00 C ATOM 1397 O TYR A 93 5.316 11.678 -4.291 1.00 0.00 O ATOM 1398 CB TYR A 93 8.424 10.677 -4.276 1.00 0.00 C ATOM 1399 CG TYR A 93 8.602 11.896 -5.168 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.238 13.177 -4.708 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.145 11.749 -6.461 1.00 0.00 C ATOM 1402 CE1 TYR A 93 8.398 14.302 -5.536 1.00 0.00 C ATOM 1403 CE2 TYR A 93 9.312 12.869 -7.293 1.00 0.00 C ATOM 1404 CZ TYR A 93 8.934 14.153 -6.836 1.00 0.00 C ATOM 1405 OH TYR A 93 9.098 15.232 -7.654 1.00 0.00 O ATOM 0 H TYR A 93 5.979 10.449 -6.057 1.00 0.00 H new ATOM 0 HA TYR A 93 7.093 9.046 -3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.627 10.972 -3.246 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.177 9.938 -4.550 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.834 13.295 -3.714 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.434 10.770 -6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.111 15.280 -5.179 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.729 12.749 -8.282 1.00 0.00 H new ATOM 0 HH TYR A 93 9.480 14.940 -8.508 1.00 0.00 H new ATOM 1415 N SER A 94 5.897 10.749 -2.318 1.00 0.00 N ATOM 1416 CA SER A 94 5.153 11.668 -1.471 1.00 0.00 C ATOM 1417 C SER A 94 6.092 12.847 -1.185 1.00 0.00 C ATOM 1418 O SER A 94 7.316 12.676 -1.214 1.00 0.00 O ATOM 1419 CB SER A 94 4.723 10.912 -0.207 1.00 0.00 C ATOM 1420 OG SER A 94 4.473 11.763 0.883 1.00 0.00 O ATOM 0 H SER A 94 6.332 9.983 -1.804 1.00 0.00 H new ATOM 0 HA SER A 94 4.243 12.052 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.824 10.335 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.501 10.200 0.066 1.00 0.00 H new ATOM 0 HG SER A 94 3.976 12.550 0.576 1.00 0.00 H new ATOM 1426 N MET A 95 5.557 14.034 -0.886 1.00 0.00 N ATOM 1427 CA MET A 95 6.397 15.134 -0.427 1.00 0.00 C ATOM 1428 C MET A 95 6.650 14.962 1.073 1.00 0.00 C ATOM 1429 O MET A 95 7.774 15.185 1.528 1.00 0.00 O ATOM 1430 CB MET A 95 5.783 16.499 -0.793 1.00 0.00 C ATOM 1431 CG MET A 95 4.806 17.087 0.238 1.00 0.00 C ATOM 1432 SD MET A 95 5.556 18.048 1.592 1.00 0.00 S ATOM 1433 CE MET A 95 6.074 19.546 0.706 1.00 0.00 C ATOM 0 H MET A 95 4.563 14.252 -0.953 1.00 0.00 H new ATOM 0 HA MET A 95 7.361 15.111 -0.936 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.593 17.212 -0.947 1.00 0.00 H new ATOM 0 HB3 MET A 95 5.262 16.399 -1.745 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.098 17.728 -0.287 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.233 16.269 0.674 1.00 0.00 H new ATOM 0 HE1 MET A 95 6.388 20.303 1.424 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.906 19.307 0.043 1.00 0.00 H new ATOM 0 HE3 MET A 95 5.239 19.928 0.118 1.00 0.00 H new ATOM 1443 N ALA A 96 5.636 14.532 1.836 1.00 0.00 N ATOM 1444 CA ALA A 96 5.746 14.434 3.285 1.00 0.00 C ATOM 1445 C ALA A 96 6.515 13.182 3.718 1.00 0.00 C ATOM 1446 O ALA A 96 7.122 13.191 4.792 1.00 0.00 O ATOM 1447 CB ALA A 96 4.348 14.443 3.907 1.00 0.00 C ATOM 0 H ALA A 96 4.730 14.247 1.465 1.00 0.00 H new ATOM 0 HA ALA A 96 6.311 15.296 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.432 14.370 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.839 15.370 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.776 13.595 3.529 1.00 0.00 H new ATOM 1453 N TYR A 97 6.523 12.131 2.890 1.00 0.00 N ATOM 1454 CA TYR A 97 7.021 10.809 3.263 1.00 0.00 C ATOM 1455 C TYR A 97 7.979 10.204 2.225 1.00 0.00 C ATOM 1456 O TYR A 97 8.532 9.131 2.470 1.00 0.00 O ATOM 1457 CB TYR A 97 5.815 9.888 3.519 1.00 0.00 C ATOM 1458 CG TYR A 97 4.746 10.474 4.431 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.994 10.622 5.810 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.508 10.893 3.901 1.00 0.00 C ATOM 1461 CE1 TYR A 97 4.004 11.150 6.658 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.504 11.393 4.745 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.748 11.531 6.131 1.00 0.00 C ATOM 1464 OH TYR A 97 1.798 12.049 6.961 1.00 0.00 O ATOM 0 H TYR A 97 6.179 12.179 1.931 1.00 0.00 H new ATOM 0 HA TYR A 97 7.616 10.913 4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.358 9.637 2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.174 8.956 3.955 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.950 10.328 6.218 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.331 10.829 2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.203 11.265 7.713 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.545 11.672 4.336 1.00 0.00 H new ATOM 0 HH TYR A 97 0.993 12.261 6.444 1.00 0.00 H new ATOM 1474 N GLY A 98 8.226 10.884 1.099 1.00 0.00 N ATOM 1475 CA GLY A 98 9.212 10.461 0.107 1.00 0.00 C ATOM 1476 C GLY A 98 8.741 9.272 -0.741 1.00 0.00 C ATOM 1477 O GLY A 98 7.577 8.862 -0.649 1.00 0.00 O ATOM 0 H GLY A 98 7.743 11.748 0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.441 11.300 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.138 10.193 0.615 1.00 0.00 H new ATOM 1481 N PRO A 99 9.613 8.734 -1.612 1.00 0.00 N ATOM 1482 CA PRO A 99 9.328 7.527 -2.375 1.00 0.00 C ATOM 1483 C PRO A 99 9.260 6.318 -1.440 1.00 0.00 C ATOM 1484 O PRO A 99 10.086 6.166 -0.534 1.00 0.00 O ATOM 1485 CB PRO A 99 10.470 7.392 -3.387 1.00 0.00 C ATOM 1486 CG PRO A 99 11.637 8.122 -2.723 1.00 0.00 C ATOM 1487 CD PRO A 99 10.961 9.213 -1.892 1.00 0.00 C ATOM 0 HA PRO A 99 8.366 7.580 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.711 6.347 -3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.210 7.842 -4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.225 7.450 -2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.316 8.546 -3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.510 9.394 -0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.934 10.157 -2.437 1.00 0.00 H new ATOM 1495 N ALA A 100 8.285 5.444 -1.677 1.00 0.00 N ATOM 1496 CA ALA A 100 8.196 4.151 -1.017 1.00 0.00 C ATOM 1497 C ALA A 100 9.211 3.154 -1.594 1.00 0.00 C ATOM 1498 O ALA A 100 9.829 3.390 -2.635 1.00 0.00 O ATOM 1499 CB ALA A 100 6.786 3.611 -1.238 1.00 0.00 C ATOM 0 H ALA A 100 7.529 5.618 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 100 8.416 4.275 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.688 2.640 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.060 4.304 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.601 3.503 -2.307 1.00 0.00 H new ATOM 1505 N GLN A 101 9.339 2.000 -0.932 1.00 0.00 N ATOM 1506 CA GLN A 101 10.071 0.843 -1.437 1.00 0.00 C ATOM 1507 C GLN A 101 9.165 0.135 -2.450 1.00 0.00 C ATOM 1508 O GLN A 101 8.556 -0.889 -2.142 1.00 0.00 O ATOM 1509 CB GLN A 101 10.479 -0.089 -0.282 1.00 0.00 C ATOM 1510 CG GLN A 101 11.679 0.450 0.498 1.00 0.00 C ATOM 1511 CD GLN A 101 12.066 -0.469 1.657 1.00 0.00 C ATOM 1512 OE1 GLN A 101 11.737 -0.212 2.814 1.00 0.00 O ATOM 1513 NE2 GLN A 101 12.769 -1.557 1.387 1.00 0.00 N ATOM 0 H GLN A 101 8.927 1.845 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 101 10.997 1.150 -1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.635 -0.216 0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.720 -1.075 -0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.529 0.562 -0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.445 1.442 0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.039 -1.764 0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 101 13.041 -2.188 2.140 1.00 0.00 H new ATOM 1522 N HIS A 102 9.044 0.701 -3.651 1.00 0.00 N ATOM 1523 CA HIS A 102 8.137 0.224 -4.696 1.00 0.00 C ATOM 1524 C HIS A 102 8.373 -1.242 -5.107 1.00 0.00 C ATOM 1525 O HIS A 102 7.470 -1.873 -5.655 1.00 0.00 O ATOM 1526 CB HIS A 102 8.217 1.178 -5.896 1.00 0.00 C ATOM 1527 CG HIS A 102 7.795 2.587 -5.551 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.570 3.729 -5.558 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.567 2.951 -5.071 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.821 4.739 -5.087 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.582 4.320 -4.797 1.00 0.00 N ATOM 0 H HIS A 102 9.584 1.520 -3.930 1.00 0.00 H new ATOM 0 HA HIS A 102 7.127 0.229 -4.286 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.238 1.192 -6.276 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.584 0.800 -6.698 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.540 3.794 -5.866 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.726 2.289 -4.928 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.170 5.753 -4.959 1.00 0.00 H new ATOM 1539 N ALA A 103 9.547 -1.807 -4.800 1.00 0.00 N ATOM 1540 CA ALA A 103 9.839 -3.229 -4.956 1.00 0.00 C ATOM 1541 C ALA A 103 8.900 -4.115 -4.117 1.00 0.00 C ATOM 1542 O ALA A 103 8.531 -5.216 -4.535 1.00 0.00 O ATOM 1543 CB ALA A 103 11.294 -3.469 -4.534 1.00 0.00 C ATOM 0 H ALA A 103 10.333 -1.274 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 103 9.683 -3.502 -6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.535 -4.527 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.958 -2.879 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.425 -3.172 -3.493 1.00 0.00 H new ATOM 1549 N ILE A 104 8.516 -3.654 -2.921 1.00 0.00 N ATOM 1550 CA ILE A 104 7.565 -4.363 -2.074 1.00 0.00 C ATOM 1551 C ILE A 104 6.216 -4.356 -2.801 1.00 0.00 C ATOM 1552 O ILE A 104 5.568 -5.397 -2.908 1.00 0.00 O ATOM 1553 CB ILE A 104 7.493 -3.703 -0.673 1.00 0.00 C ATOM 1554 CG1 ILE A 104 8.887 -3.629 -0.003 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.512 -4.470 0.232 1.00 0.00 C ATOM 1556 CD1 ILE A 104 8.895 -2.831 1.306 1.00 0.00 C ATOM 0 H ILE A 104 8.858 -2.781 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 104 7.874 -5.394 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 104 7.133 -2.683 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.240 -4.641 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.593 -3.176 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.473 -3.994 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.519 -4.459 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.849 -5.501 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.903 -2.821 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.573 -1.808 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.215 -3.296 2.020 1.00 0.00 H new ATOM 1568 N SER A 105 5.814 -3.201 -3.338 1.00 0.00 N ATOM 1569 CA SER A 105 4.552 -3.025 -4.034 1.00 0.00 C ATOM 1570 C SER A 105 4.436 -3.965 -5.227 1.00 0.00 C ATOM 1571 O SER A 105 3.400 -4.612 -5.362 1.00 0.00 O ATOM 1572 CB SER A 105 4.399 -1.572 -4.495 1.00 0.00 C ATOM 1573 OG SER A 105 4.958 -0.705 -3.531 1.00 0.00 O ATOM 0 H SER A 105 6.374 -2.349 -3.296 1.00 0.00 H new ATOM 0 HA SER A 105 3.751 -3.268 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.895 -1.431 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.345 -1.336 -4.642 1.00 0.00 H new ATOM 0 HG SER A 105 4.590 0.196 -3.648 1.00 0.00 H new ATOM 1579 N THR A 106 5.467 -4.076 -6.073 1.00 0.00 N ATOM 1580 CA THR A 106 5.387 -4.950 -7.232 1.00 0.00 C ATOM 1581 C THR A 106 5.160 -6.383 -6.768 1.00 0.00 C ATOM 1582 O THR A 106 4.178 -6.992 -7.182 1.00 0.00 O ATOM 1583 CB THR A 106 6.619 -4.820 -8.141 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.821 -4.898 -7.406 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.625 -3.469 -8.852 1.00 0.00 C ATOM 0 H THR A 106 6.351 -3.577 -5.973 1.00 0.00 H new ATOM 0 HA THR A 106 4.538 -4.644 -7.844 1.00 0.00 H new ATOM 0 HB THR A 106 6.559 -5.642 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.616 -5.035 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.506 -3.398 -9.490 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.726 -3.375 -9.462 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.647 -2.669 -8.112 1.00 0.00 H new ATOM 1593 N GLU A 107 5.996 -6.908 -5.868 1.00 0.00 N ATOM 1594 CA GLU A 107 5.880 -8.301 -5.455 1.00 0.00 C ATOM 1595 C GLU A 107 4.526 -8.577 -4.786 1.00 0.00 C ATOM 1596 O GLU A 107 3.899 -9.595 -5.085 1.00 0.00 O ATOM 1597 CB GLU A 107 7.061 -8.689 -4.554 1.00 0.00 C ATOM 1598 CG GLU A 107 8.396 -8.746 -5.319 1.00 0.00 C ATOM 1599 CD GLU A 107 8.427 -9.865 -6.377 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.770 -11.020 -6.032 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.126 -9.599 -7.564 1.00 0.00 O ATOM 0 H GLU A 107 6.752 -6.392 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 107 5.920 -8.930 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.144 -7.969 -3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.864 -9.661 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.573 -7.787 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.210 -8.899 -4.610 1.00 0.00 H new ATOM 1608 N LYS A 108 4.030 -7.667 -3.939 1.00 0.00 N ATOM 1609 CA LYS A 108 2.734 -7.848 -3.286 1.00 0.00 C ATOM 1610 C LYS A 108 1.589 -7.807 -4.295 1.00 0.00 C ATOM 1611 O LYS A 108 0.736 -8.693 -4.272 1.00 0.00 O ATOM 1612 CB LYS A 108 2.529 -6.801 -2.181 1.00 0.00 C ATOM 1613 CG LYS A 108 3.364 -7.119 -0.930 1.00 0.00 C ATOM 1614 CD LYS A 108 2.990 -6.174 0.222 1.00 0.00 C ATOM 1615 CE LYS A 108 3.737 -6.484 1.527 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.395 -7.814 2.083 1.00 0.00 N ATOM 0 H LYS A 108 4.508 -6.800 -3.692 1.00 0.00 H new ATOM 0 HA LYS A 108 2.731 -8.836 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.802 -5.816 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.474 -6.758 -1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.198 -8.153 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.425 -7.020 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.203 -5.147 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.917 -6.238 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.811 -6.436 1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.504 -5.716 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.791 -7.902 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.361 -7.917 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.792 -8.557 1.474 1.00 0.00 H new ATOM 1630 N ILE A 109 1.546 -6.819 -5.193 1.00 0.00 N ATOM 1631 CA ILE A 109 0.458 -6.702 -6.163 1.00 0.00 C ATOM 1632 C ILE A 109 0.523 -7.896 -7.137 1.00 0.00 C ATOM 1633 O ILE A 109 -0.521 -8.451 -7.477 1.00 0.00 O ATOM 1634 CB ILE A 109 0.484 -5.313 -6.853 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.316 -4.146 -5.843 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.637 -5.182 -7.907 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.707 -2.780 -6.431 1.00 0.00 C ATOM 0 H ILE A 109 2.254 -6.088 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.510 -6.752 -5.665 1.00 0.00 H new ATOM 0 HB ILE A 109 1.463 -5.245 -7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.721 -4.108 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.927 -4.344 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.588 -4.196 -8.370 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.509 -5.948 -8.671 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.606 -5.309 -7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.568 -2.006 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.752 -2.802 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.079 -2.562 -7.295 1.00 0.00 H new ATOM 1649 N LYS A 110 1.716 -8.361 -7.537 1.00 0.00 N ATOM 1650 CA LYS A 110 1.862 -9.557 -8.378 1.00 0.00 C ATOM 1651 C LYS A 110 1.306 -10.781 -7.652 1.00 0.00 C ATOM 1652 O LYS A 110 0.574 -11.555 -8.263 1.00 0.00 O ATOM 1653 CB LYS A 110 3.335 -9.785 -8.773 1.00 0.00 C ATOM 1654 CG LYS A 110 3.860 -8.710 -9.738 1.00 0.00 C ATOM 1655 CD LYS A 110 5.390 -8.603 -9.752 1.00 0.00 C ATOM 1656 CE LYS A 110 6.053 -9.786 -10.461 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.526 -9.766 -10.281 1.00 0.00 N ATOM 0 H LYS A 110 2.602 -7.921 -7.288 1.00 0.00 H new ATOM 0 HA LYS A 110 1.292 -9.401 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.951 -9.794 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.435 -10.766 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.509 -8.933 -10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.438 -7.744 -9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.682 -7.677 -10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.757 -8.546 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.649 -10.720 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.814 -9.756 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.924 -10.680 -10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.936 -9.006 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.751 -9.597 -9.280 1.00 0.00 H new ATOM 1671 N ALA A 111 1.604 -10.951 -6.359 1.00 0.00 N ATOM 1672 CA ALA A 111 1.061 -12.055 -5.573 1.00 0.00 C ATOM 1673 C ALA A 111 -0.467 -11.962 -5.459 1.00 0.00 C ATOM 1674 O ALA A 111 -1.149 -12.986 -5.515 1.00 0.00 O ATOM 1675 CB ALA A 111 1.712 -12.081 -4.185 1.00 0.00 C ATOM 0 H ALA A 111 2.223 -10.332 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 111 1.293 -12.988 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.301 -12.908 -3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.789 -12.212 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.510 -11.142 -3.671 1.00 0.00 H new ATOM 1681 N LYS A 112 -1.015 -10.750 -5.308 1.00 0.00 N ATOM 1682 CA LYS A 112 -2.458 -10.516 -5.245 1.00 0.00 C ATOM 1683 C LYS A 112 -3.134 -10.856 -6.580 1.00 0.00 C ATOM 1684 O LYS A 112 -4.226 -11.425 -6.567 1.00 0.00 O ATOM 1685 CB LYS A 112 -2.713 -9.057 -4.832 1.00 0.00 C ATOM 1686 CG LYS A 112 -4.183 -8.748 -4.514 1.00 0.00 C ATOM 1687 CD LYS A 112 -4.702 -9.396 -3.221 1.00 0.00 C ATOM 1688 CE LYS A 112 -6.023 -8.771 -2.734 1.00 0.00 C ATOM 1689 NZ LYS A 112 -7.132 -8.863 -3.720 1.00 0.00 N ATOM 0 H LYS A 112 -0.461 -9.897 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.899 -11.175 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.106 -8.826 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.379 -8.399 -5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.307 -7.668 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.801 -9.083 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.849 -10.463 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -3.948 -9.296 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.328 -9.264 -1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.850 -7.722 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.043 -8.762 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.033 -8.105 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.096 -9.786 -4.197 1.00 0.00 H new ATOM 1703 N TYR A 113 -2.496 -10.546 -7.713 1.00 0.00 N ATOM 1704 CA TYR A 113 -3.090 -10.630 -9.046 1.00 0.00 C ATOM 1705 C TYR A 113 -2.128 -11.342 -10.013 1.00 0.00 C ATOM 1706 O TYR A 113 -1.584 -10.706 -10.920 1.00 0.00 O ATOM 1707 CB TYR A 113 -3.488 -9.220 -9.525 1.00 0.00 C ATOM 1708 CG TYR A 113 -4.445 -8.482 -8.603 1.00 0.00 C ATOM 1709 CD1 TYR A 113 -5.748 -8.973 -8.397 1.00 0.00 C ATOM 1710 CD2 TYR A 113 -4.024 -7.316 -7.934 1.00 0.00 C ATOM 1711 CE1 TYR A 113 -6.615 -8.326 -7.499 1.00 0.00 C ATOM 1712 CE2 TYR A 113 -4.890 -6.651 -7.048 1.00 0.00 C ATOM 1713 CZ TYR A 113 -6.185 -7.169 -6.812 1.00 0.00 C ATOM 1714 OH TYR A 113 -7.005 -6.606 -5.879 1.00 0.00 O ATOM 0 H TYR A 113 -1.529 -10.222 -7.726 1.00 0.00 H new ATOM 0 HA TYR A 113 -4.000 -11.229 -9.014 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -2.584 -8.622 -9.642 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -3.946 -9.302 -10.511 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -6.083 -9.850 -8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -3.029 -6.930 -8.103 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -7.610 -8.713 -7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -4.568 -5.749 -6.550 1.00 0.00 H new ATOM 0 HH TYR A 113 -6.569 -5.818 -5.493 1.00 0.00 H new ATOM 1724 N PRO A 114 -1.894 -12.660 -9.850 1.00 0.00 N ATOM 1725 CA PRO A 114 -0.885 -13.392 -10.615 1.00 0.00 C ATOM 1726 C PRO A 114 -1.245 -13.557 -12.101 1.00 0.00 C ATOM 1727 O PRO A 114 -0.383 -13.930 -12.899 1.00 0.00 O ATOM 1728 CB PRO A 114 -0.740 -14.742 -9.905 1.00 0.00 C ATOM 1729 CG PRO A 114 -2.111 -14.959 -9.270 1.00 0.00 C ATOM 1730 CD PRO A 114 -2.534 -13.543 -8.885 1.00 0.00 C ATOM 0 HA PRO A 114 0.054 -12.839 -10.638 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -0.491 -15.539 -10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.051 -14.718 -9.155 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.813 -15.415 -9.969 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.055 -15.615 -8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.618 -13.437 -8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.220 -13.304 -7.869 1.00 0.00 H new ATOM 1738 N ASP A 115 -2.493 -13.272 -12.493 1.00 0.00 N ATOM 1739 CA ASP A 115 -2.919 -13.224 -13.896 1.00 0.00 C ATOM 1740 C ASP A 115 -2.330 -12.012 -14.644 1.00 0.00 C ATOM 1741 O ASP A 115 -2.443 -11.922 -15.868 1.00 0.00 O ATOM 1742 CB ASP A 115 -4.453 -13.207 -13.964 1.00 0.00 C ATOM 1743 CG ASP A 115 -4.974 -13.360 -15.405 1.00 0.00 C ATOM 1744 OD1 ASP A 115 -4.679 -14.389 -16.055 1.00 0.00 O ATOM 1745 OD2 ASP A 115 -5.742 -12.490 -15.875 1.00 0.00 O ATOM 0 H ASP A 115 -3.245 -13.066 -11.835 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.538 -14.116 -14.394 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -4.851 -14.013 -13.348 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.823 -12.272 -13.543 1.00 0.00 H new ATOM 1750 N TYR A 116 -1.673 -11.094 -13.926 1.00 0.00 N ATOM 1751 CA TYR A 116 -1.059 -9.875 -14.439 1.00 0.00 C ATOM 1752 C TYR A 116 0.374 -9.768 -13.897 1.00 0.00 C ATOM 1753 O TYR A 116 0.846 -10.645 -13.167 1.00 0.00 O ATOM 1754 CB TYR A 116 -1.909 -8.660 -14.025 1.00 0.00 C ATOM 1755 CG TYR A 116 -3.337 -8.663 -14.545 1.00 0.00 C ATOM 1756 CD1 TYR A 116 -3.627 -8.122 -15.813 1.00 0.00 C ATOM 1757 CD2 TYR A 116 -4.376 -9.196 -13.758 1.00 0.00 C ATOM 1758 CE1 TYR A 116 -4.949 -8.109 -16.293 1.00 0.00 C ATOM 1759 CE2 TYR A 116 -5.701 -9.186 -14.230 1.00 0.00 C ATOM 1760 CZ TYR A 116 -5.995 -8.642 -15.502 1.00 0.00 C ATOM 1761 OH TYR A 116 -7.283 -8.630 -15.947 1.00 0.00 O ATOM 0 H TYR A 116 -1.552 -11.192 -12.918 1.00 0.00 H new ATOM 0 HA TYR A 116 -1.014 -9.901 -15.528 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -1.936 -8.609 -12.937 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -1.414 -7.754 -14.374 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -2.831 -7.716 -16.419 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -4.154 -9.614 -12.787 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -5.166 -7.692 -17.265 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -6.494 -9.594 -13.621 1.00 0.00 H new ATOM 0 HH TYR A 116 -7.866 -9.038 -15.273 1.00 0.00 H new ATOM 1771 N GLU A 117 1.078 -8.690 -14.248 1.00 0.00 N ATOM 1772 CA GLU A 117 2.424 -8.394 -13.781 1.00 0.00 C ATOM 1773 C GLU A 117 2.524 -6.884 -13.538 1.00 0.00 C ATOM 1774 O GLU A 117 1.728 -6.098 -14.064 1.00 0.00 O ATOM 1775 CB GLU A 117 3.450 -8.947 -14.789 1.00 0.00 C ATOM 1776 CG GLU A 117 4.897 -8.530 -14.506 1.00 0.00 C ATOM 1777 CD GLU A 117 5.888 -9.290 -15.401 1.00 0.00 C ATOM 1778 OE1 GLU A 117 6.013 -8.931 -16.593 1.00 0.00 O ATOM 1779 OE2 GLU A 117 6.551 -10.237 -14.920 1.00 0.00 O ATOM 0 H GLU A 117 0.712 -7.981 -14.884 1.00 0.00 H new ATOM 0 HA GLU A 117 2.649 -8.885 -12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.391 -10.035 -14.790 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.176 -8.612 -15.790 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.006 -7.458 -14.669 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.133 -8.719 -13.459 1.00 0.00 H new ATOM 1786 N VAL A 118 3.493 -6.494 -12.712 1.00 0.00 N ATOM 1787 CA VAL A 118 3.653 -5.159 -12.169 1.00 0.00 C ATOM 1788 C VAL A 118 5.157 -4.861 -12.201 1.00 0.00 C ATOM 1789 O VAL A 118 5.954 -5.752 -11.899 1.00 0.00 O ATOM 1790 CB VAL A 118 3.112 -5.126 -10.719 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.924 -3.690 -10.215 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.775 -5.867 -10.512 1.00 0.00 C ATOM 0 H VAL A 118 4.219 -7.135 -12.392 1.00 0.00 H new ATOM 0 HA VAL A 118 3.102 -4.413 -12.742 1.00 0.00 H new ATOM 0 HB VAL A 118 3.881 -5.648 -10.150 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.543 -3.710 -9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.881 -3.169 -10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.214 -3.169 -10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.475 -5.790 -9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.009 -5.418 -11.144 1.00 0.00 H new ATOM 0 HG23 VAL A 118 1.896 -6.917 -10.779 1.00 0.00 H new ATOM 1802 N THR A 119 5.555 -3.633 -12.520 1.00 0.00 N ATOM 1803 CA THR A 119 6.952 -3.195 -12.511 1.00 0.00 C ATOM 1804 C THR A 119 7.063 -1.855 -11.777 1.00 0.00 C ATOM 1805 O THR A 119 6.046 -1.251 -11.425 1.00 0.00 O ATOM 1806 CB THR A 119 7.488 -3.131 -13.956 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.562 -2.484 -14.813 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.779 -4.534 -14.495 1.00 0.00 C ATOM 0 H THR A 119 4.905 -2.898 -12.798 1.00 0.00 H new ATOM 0 HA THR A 119 7.572 -3.911 -11.973 1.00 0.00 H new ATOM 0 HB THR A 119 8.415 -2.557 -13.933 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.604 -1.516 -14.668 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.156 -4.461 -15.515 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.526 -5.018 -13.866 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.862 -5.124 -14.488 1.00 0.00 H new ATOM 1816 N TRP A 120 8.284 -1.376 -11.525 1.00 0.00 N ATOM 1817 CA TRP A 120 8.498 -0.048 -10.969 1.00 0.00 C ATOM 1818 C TRP A 120 9.760 0.568 -11.563 1.00 0.00 C ATOM 1819 O TRP A 120 10.683 -0.149 -11.961 1.00 0.00 O ATOM 1820 CB TRP A 120 8.565 -0.094 -9.432 1.00 0.00 C ATOM 1821 CG TRP A 120 9.802 -0.673 -8.814 1.00 0.00 C ATOM 1822 CD1 TRP A 120 10.067 -1.988 -8.651 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.952 0.033 -8.247 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.291 -2.150 -8.042 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.873 -0.938 -7.747 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.306 1.395 -8.085 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.073 -0.585 -7.113 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.503 1.754 -7.437 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.386 0.773 -6.953 1.00 0.00 C ATOM 0 H TRP A 120 9.143 -1.897 -11.701 1.00 0.00 H new ATOM 0 HA TRP A 120 7.650 0.583 -11.235 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.446 0.923 -9.059 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.709 -0.667 -9.074 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.414 -2.794 -8.954 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.714 -3.055 -7.835 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.651 2.166 -8.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.747 -1.348 -6.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.747 2.798 -7.310 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.302 1.064 -6.460 1.00 0.00 H new ATOM 1840 N ALA A 121 9.793 1.898 -11.606 1.00 0.00 N ATOM 1841 CA ALA A 121 10.952 2.709 -11.941 1.00 0.00 C ATOM 1842 C ALA A 121 10.670 4.070 -11.315 1.00 0.00 C ATOM 1843 O ALA A 121 9.669 4.702 -11.652 1.00 0.00 O ATOM 1844 CB ALA A 121 11.117 2.827 -13.464 1.00 0.00 C ATOM 0 H ALA A 121 8.970 2.463 -11.397 1.00 0.00 H new ATOM 0 HA ALA A 121 11.879 2.273 -11.570 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.991 3.438 -13.689 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.249 1.834 -13.894 1.00 0.00 H new ATOM 0 HB3 ALA A 121 10.229 3.292 -13.891 1.00 0.00 H new ATOM 1850 N ASN A 122 11.509 4.519 -10.377 1.00 0.00 N ATOM 1851 CA ASN A 122 11.177 5.703 -9.580 1.00 0.00 C ATOM 1852 C ASN A 122 11.325 7.024 -10.354 1.00 0.00 C ATOM 1853 O ASN A 122 11.080 8.090 -9.790 1.00 0.00 O ATOM 1854 CB ASN A 122 11.984 5.757 -8.271 1.00 0.00 C ATOM 1855 CG ASN A 122 11.072 6.148 -7.112 1.00 0.00 C ATOM 1856 OD1 ASN A 122 10.847 5.354 -6.205 1.00 0.00 O ATOM 1857 ND2 ASN A 122 10.475 7.326 -7.153 1.00 0.00 N ATOM 0 H ASN A 122 12.407 4.090 -10.153 1.00 0.00 H new ATOM 0 HA ASN A 122 10.120 5.596 -9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 122 12.440 4.786 -8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 122 12.797 6.478 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 122 9.814 7.588 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 122 10.675 7.973 -7.916 1.00 0.00 H new ATOM 1864 N ASP A 123 11.774 6.975 -11.612 1.00 0.00 N ATOM 1865 CA ASP A 123 12.021 8.152 -12.449 1.00 0.00 C ATOM 1866 C ASP A 123 10.748 8.956 -12.727 1.00 0.00 C ATOM 1867 O ASP A 123 10.805 10.182 -12.844 1.00 0.00 O ATOM 1868 CB ASP A 123 12.640 7.708 -13.779 1.00 0.00 C ATOM 1869 CG ASP A 123 12.862 8.902 -14.724 1.00 0.00 C ATOM 1870 OD1 ASP A 123 13.800 9.697 -14.492 1.00 0.00 O ATOM 1871 OD2 ASP A 123 12.124 9.029 -15.727 1.00 0.00 O ATOM 0 H ASP A 123 11.980 6.096 -12.087 1.00 0.00 H new ATOM 0 HA ASP A 123 12.704 8.802 -11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 123 13.591 7.210 -13.591 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.988 6.979 -14.260 1.00 0.00 H new ATOM 1876 N GLY A 124 9.602 8.277 -12.824 1.00 0.00 N ATOM 1877 CA GLY A 124 8.316 8.925 -13.048 1.00 0.00 C ATOM 1878 C GLY A 124 7.883 9.727 -11.820 1.00 0.00 C ATOM 1879 O GLY A 124 8.289 9.424 -10.695 1.00 0.00 O ATOM 0 H GLY A 124 9.544 7.261 -12.749 1.00 0.00 H new ATOM 0 HA2 GLY A 124 8.384 9.586 -13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 124 7.562 8.173 -13.280 1.00 0.00 H new ATOM 1883 N TYR A 125 6.998 10.705 -12.022 1.00 0.00 N ATOM 1884 CA TYR A 125 6.394 11.520 -10.968 1.00 0.00 C ATOM 1885 C TYR A 125 5.045 12.069 -11.438 1.00 0.00 C ATOM 1886 O TYR A 125 4.654 11.893 -12.599 1.00 0.00 O ATOM 1887 CB TYR A 125 7.339 12.662 -10.556 1.00 0.00 C ATOM 1888 CG TYR A 125 7.685 13.655 -11.655 1.00 0.00 C ATOM 1889 CD1 TYR A 125 8.759 13.393 -12.529 1.00 0.00 C ATOM 1890 CD2 TYR A 125 6.940 14.842 -11.802 1.00 0.00 C ATOM 1891 CE1 TYR A 125 9.082 14.304 -13.550 1.00 0.00 C ATOM 1892 CE2 TYR A 125 7.257 15.759 -12.820 1.00 0.00 C ATOM 1893 CZ TYR A 125 8.331 15.493 -13.702 1.00 0.00 C ATOM 1894 OH TYR A 125 8.654 16.369 -14.695 1.00 0.00 O ATOM 0 H TYR A 125 6.672 10.959 -12.954 1.00 0.00 H new ATOM 0 HA TYR A 125 6.226 10.893 -10.092 1.00 0.00 H new ATOM 0 HB2 TYR A 125 6.883 13.206 -9.729 1.00 0.00 H new ATOM 0 HB3 TYR A 125 8.265 12.226 -10.180 1.00 0.00 H new ATOM 0 HD1 TYR A 125 9.337 12.488 -12.414 1.00 0.00 H new ATOM 0 HD2 TYR A 125 6.121 15.049 -11.129 1.00 0.00 H new ATOM 0 HE1 TYR A 125 9.904 14.096 -14.219 1.00 0.00 H new ATOM 0 HE2 TYR A 125 6.681 16.666 -12.929 1.00 0.00 H new ATOM 0 HH TYR A 125 8.043 17.135 -14.667 1.00 0.00 H new TER 1904 TYR A 125 HETATM 1905 P PO4 A 126 1.676 14.663 0.191 1.00 0.00 P HETATM 1906 O1 PO4 A 126 1.547 15.235 -1.161 1.00 0.00 O HETATM 1907 O2 PO4 A 126 3.003 14.031 0.338 1.00 0.00 O HETATM 1908 O3 PO4 A 126 0.605 13.677 0.404 1.00 0.00 O HETATM 1909 O4 PO4 A 126 1.512 15.759 1.161 1.00 0.00 O