USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 962 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 93 LYS NZ :NH3+ -114:sc= 1.16 (180deg=-0.083) USER MOD Set 1.2: A 95 ASN : amide:sc= 0.781 K(o=1.9,f=-5.8!) USER MOD Set 2.1: A 37 GLN : amide:sc= -1.88! C(o=-3.1!,f=-5.4!) USER MOD Set 2.2: A 87 SER OG : rot 177:sc= -1.22! USER MOD Set 3.1: A 57 THR OG1 : rot -86:sc= 0.824 USER MOD Set 3.2: A 84 THR OG1 : rot 180:sc= 0.728 USER MOD Set 4.1: A 17 TYR OH : rot -173:sc= 1.32 USER MOD Set 4.2: A 29 HIS : no HD1:sc= 0.448 K(o=1.8,f=-3.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.00482 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 140:sc= 0.67 (180deg=0.131) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.01 K(o=-1,f=-4.4!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -4.59! C(o=-4.6!,f=-4.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 16 HIS : no HD1:sc= 0.41 K(o=0.41,f=-1.5) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0095 USER MOD Single : A 26 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.004 USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= -0.0155 (180deg=-0.192) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= 0.266 (180deg=-0.157) USER MOD Single : A 55 SER OG : rot 36:sc= 0.164 USER MOD Single : A 58 GLN : amide:sc= -0.972 K(o=-0.97,f=-0.035) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.851 USER MOD Single : A 65 SER OG : rot -126:sc= 0.998 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -131:sc= -0.0813 (180deg=-0.31) USER MOD Single : A 77 MET CE :methyl -142:sc= 0 (180deg=-1.03) USER MOD Single : A 88 LYS NZ :NH3+ -123:sc= 0.641 (180deg=-0.583) USER MOD Single : A 89 ASN : amide:sc= -0.877 K(o=-0.88,f=-11!) USER MOD Single : A 94 GLN : amide:sc= 0.00514 K(o=0.0051,f=-4.5!) USER MOD Single : A 99 THR OG1 : rot 66:sc= 0.168 USER MOD Single : A 102 TYR OH : rot 168:sc= 0.655 USER MOD Single : A 103 SER OG : rot -106:sc= 0.174 USER MOD Single : A 105 ASN : amide:sc= -2.14 K(o=-2.1,f=-9.3!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.01 K(o=-0.01,f=-0.64) USER MOD Single : A 110 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.11) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -166:sc= -0.166 (180deg=-0.555) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 118 HIS : no HD1:sc= 0.0374 K(o=0.037,f=-0.66) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.00014) USER MOD Single : A 121 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.601 -29.292 1.389 1.00 0.00 N ATOM 2 CA MET A 1 19.121 -29.379 1.359 1.00 0.00 C ATOM 3 C MET A 1 18.545 -27.974 1.453 1.00 0.00 C ATOM 4 O MET A 1 18.956 -27.186 2.299 1.00 0.00 O ATOM 5 CB MET A 1 18.581 -30.272 2.508 1.00 0.00 C ATOM 6 CG MET A 1 17.049 -30.435 2.526 1.00 0.00 C ATOM 7 SD MET A 1 16.398 -31.069 0.964 1.00 0.00 S ATOM 8 CE MET A 1 14.629 -31.019 1.247 1.00 0.00 C ATOM 0 H1 MET A 1 20.991 -30.160 1.808 1.00 0.00 H new ATOM 0 H2 MET A 1 20.962 -29.183 0.420 1.00 0.00 H new ATOM 0 H3 MET A 1 20.889 -28.472 1.960 1.00 0.00 H new ATOM 0 HA MET A 1 18.812 -29.843 0.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.038 -31.259 2.429 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.900 -29.848 3.460 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.769 -31.112 3.333 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.588 -29.472 2.743 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.108 -31.384 0.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.379 -31.650 2.100 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.322 -29.993 1.452 1.00 0.00 H new ATOM 20 N ILE A 2 17.584 -27.673 0.578 1.00 0.00 N ATOM 21 CA ILE A 2 17.018 -26.334 0.416 1.00 0.00 C ATOM 22 C ILE A 2 15.554 -26.306 0.875 1.00 0.00 C ATOM 23 O ILE A 2 14.766 -27.166 0.481 1.00 0.00 O ATOM 24 CB ILE A 2 17.117 -25.909 -1.099 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.612 -25.784 -1.534 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.334 -24.612 -1.394 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.399 -24.697 -0.820 1.00 0.00 C ATOM 0 H ILE A 2 17.171 -28.364 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 2 17.581 -25.633 1.032 1.00 0.00 H new ATOM 0 HB ILE A 2 16.650 -26.695 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 2 19.106 -26.741 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 2 18.648 -25.593 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.432 -24.360 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.281 -24.760 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.735 -23.799 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.424 -24.688 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 2 18.936 -23.728 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.401 -24.894 0.252 1.00 0.00 H new ATOM 39 N GLU A 3 15.206 -25.325 1.719 1.00 0.00 N ATOM 40 CA GLU A 3 13.804 -24.980 2.017 1.00 0.00 C ATOM 41 C GLU A 3 13.460 -23.650 1.311 1.00 0.00 C ATOM 42 O GLU A 3 14.332 -22.799 1.202 1.00 0.00 O ATOM 43 CB GLU A 3 13.571 -24.849 3.549 1.00 0.00 C ATOM 44 CG GLU A 3 14.227 -23.612 4.215 1.00 0.00 C ATOM 45 CD GLU A 3 13.620 -23.276 5.579 1.00 0.00 C ATOM 46 OE1 GLU A 3 12.426 -22.915 5.625 1.00 0.00 O ATOM 47 OE2 GLU A 3 14.318 -23.343 6.600 1.00 0.00 O ATOM 0 H GLU A 3 15.885 -24.748 2.215 1.00 0.00 H new ATOM 0 HA GLU A 3 13.156 -25.777 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.498 -24.815 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.951 -25.747 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.295 -23.794 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.121 -22.752 3.554 1.00 0.00 H new ATOM 54 N PRO A 4 12.219 -23.453 0.774 1.00 0.00 N ATOM 55 CA PRO A 4 11.778 -22.113 0.327 1.00 0.00 C ATOM 56 C PRO A 4 11.366 -21.219 1.528 1.00 0.00 C ATOM 57 O PRO A 4 10.484 -21.579 2.316 1.00 0.00 O ATOM 58 CB PRO A 4 10.583 -22.431 -0.598 1.00 0.00 C ATOM 59 CG PRO A 4 10.022 -23.721 -0.073 1.00 0.00 C ATOM 60 CD PRO A 4 11.203 -24.501 0.478 1.00 0.00 C ATOM 0 HA PRO A 4 12.561 -21.547 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.838 -21.635 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.902 -22.532 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.281 -23.536 0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.522 -24.279 -0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.931 -25.058 1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.576 -25.226 -0.246 1.00 0.00 H new ATOM 68 N ILE A 5 12.009 -20.044 1.646 1.00 0.00 N ATOM 69 CA ILE A 5 11.701 -19.042 2.691 1.00 0.00 C ATOM 70 C ILE A 5 11.046 -17.810 2.053 1.00 0.00 C ATOM 71 O ILE A 5 10.947 -17.726 0.828 1.00 0.00 O ATOM 72 CB ILE A 5 12.985 -18.609 3.494 1.00 0.00 C ATOM 73 CG1 ILE A 5 14.079 -18.035 2.536 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.530 -19.785 4.340 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.346 -17.557 3.213 1.00 0.00 C ATOM 0 H ILE A 5 12.761 -19.758 1.018 1.00 0.00 H new ATOM 0 HA ILE A 5 11.012 -19.505 3.398 1.00 0.00 H new ATOM 0 HB ILE A 5 12.702 -17.812 4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.343 -18.804 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.649 -17.203 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.417 -19.461 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.767 -20.108 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.791 -20.615 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.039 -17.178 2.462 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.104 -16.761 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.808 -18.387 3.748 1.00 0.00 H new ATOM 87 N LYS A 6 10.575 -16.871 2.896 1.00 0.00 N ATOM 88 CA LYS A 6 9.934 -15.628 2.426 1.00 0.00 C ATOM 89 C LYS A 6 9.798 -14.578 3.543 1.00 0.00 C ATOM 90 O LYS A 6 9.638 -14.915 4.718 1.00 0.00 O ATOM 91 CB LYS A 6 8.543 -15.875 1.742 1.00 0.00 C ATOM 92 CG LYS A 6 7.399 -16.397 2.654 1.00 0.00 C ATOM 93 CD LYS A 6 7.574 -17.868 3.114 1.00 0.00 C ATOM 94 CE LYS A 6 7.589 -18.879 1.950 1.00 0.00 C ATOM 95 NZ LYS A 6 7.863 -20.262 2.423 1.00 0.00 N ATOM 0 H LYS A 6 10.627 -16.951 3.912 1.00 0.00 H new ATOM 0 HA LYS A 6 10.608 -15.232 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.216 -14.939 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.685 -16.590 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.331 -15.758 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.453 -16.305 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.505 -17.957 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.765 -18.125 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.629 -18.855 1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.348 -18.586 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.261 -20.932 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.863 -20.494 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.656 -20.328 3.440 1.00 0.00 H new ATOM 109 N ARG A 7 9.908 -13.294 3.148 1.00 0.00 N ATOM 110 CA ARG A 7 9.581 -12.131 3.999 1.00 0.00 C ATOM 111 C ARG A 7 8.359 -11.419 3.423 1.00 0.00 C ATOM 112 O ARG A 7 7.925 -11.728 2.322 1.00 0.00 O ATOM 113 CB ARG A 7 10.788 -11.157 4.106 1.00 0.00 C ATOM 114 CG ARG A 7 11.994 -11.730 4.884 1.00 0.00 C ATOM 115 CD ARG A 7 13.216 -10.793 4.898 1.00 0.00 C ATOM 116 NE ARG A 7 13.574 -10.321 3.538 1.00 0.00 N ATOM 117 CZ ARG A 7 14.816 -10.211 3.049 1.00 0.00 C ATOM 118 NH1 ARG A 7 15.874 -10.513 3.790 1.00 0.00 N ATOM 119 NH2 ARG A 7 14.990 -9.779 1.817 1.00 0.00 N ATOM 0 H ARG A 7 10.231 -13.031 2.217 1.00 0.00 H new ATOM 0 HA ARG A 7 9.356 -12.480 5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.113 -10.886 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.458 -10.239 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.690 -11.934 5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.282 -12.684 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.006 -9.934 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.067 -11.315 5.336 1.00 0.00 H new ATOM 0 HE ARG A 7 12.806 -10.057 2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.749 -10.835 4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.812 -10.423 3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.183 -9.532 1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.932 -9.692 1.435 1.00 0.00 H new ATOM 133 N THR A 8 7.809 -10.467 4.184 1.00 0.00 N ATOM 134 CA THR A 8 6.582 -9.748 3.816 1.00 0.00 C ATOM 135 C THR A 8 6.747 -8.240 4.088 1.00 0.00 C ATOM 136 O THR A 8 6.755 -7.807 5.242 1.00 0.00 O ATOM 137 CB THR A 8 5.368 -10.313 4.629 1.00 0.00 C ATOM 138 OG1 THR A 8 5.295 -11.737 4.455 1.00 0.00 O ATOM 139 CG2 THR A 8 4.033 -9.681 4.199 1.00 0.00 C ATOM 0 H THR A 8 8.203 -10.171 5.077 1.00 0.00 H new ATOM 0 HA THR A 8 6.394 -9.892 2.752 1.00 0.00 H new ATOM 0 HB THR A 8 5.532 -10.062 5.677 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.536 -12.090 4.965 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.222 -10.105 4.791 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.073 -8.603 4.357 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.857 -9.886 3.143 1.00 0.00 H new ATOM 147 N GLN A 9 6.902 -7.451 3.019 1.00 0.00 N ATOM 148 CA GLN A 9 6.966 -5.987 3.093 1.00 0.00 C ATOM 149 C GLN A 9 5.599 -5.411 2.738 1.00 0.00 C ATOM 150 O GLN A 9 5.173 -5.492 1.584 1.00 0.00 O ATOM 151 CB GLN A 9 8.048 -5.460 2.119 1.00 0.00 C ATOM 152 CG GLN A 9 8.352 -3.944 2.171 1.00 0.00 C ATOM 153 CD GLN A 9 9.057 -3.488 3.465 1.00 0.00 C ATOM 154 OE1 GLN A 9 8.802 -3.993 4.551 1.00 0.00 O ATOM 155 NE2 GLN A 9 10.006 -2.577 3.349 1.00 0.00 N ATOM 0 H GLN A 9 6.987 -7.814 2.070 1.00 0.00 H new ATOM 0 HA GLN A 9 7.233 -5.677 4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.974 -6.000 2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.742 -5.711 1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.976 -3.680 1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.418 -3.393 2.065 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.208 -2.164 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.537 -2.286 4.170 1.00 0.00 H new ATOM 164 N VAL A 10 4.891 -4.879 3.742 1.00 0.00 N ATOM 165 CA VAL A 10 3.593 -4.231 3.537 1.00 0.00 C ATOM 166 C VAL A 10 3.794 -2.723 3.315 1.00 0.00 C ATOM 167 O VAL A 10 4.741 -2.125 3.851 1.00 0.00 O ATOM 168 CB VAL A 10 2.591 -4.520 4.717 1.00 0.00 C ATOM 169 CG1 VAL A 10 2.395 -6.050 4.884 1.00 0.00 C ATOM 170 CG2 VAL A 10 3.039 -3.844 6.041 1.00 0.00 C ATOM 0 H VAL A 10 5.201 -4.886 4.714 1.00 0.00 H new ATOM 0 HA VAL A 10 3.137 -4.657 2.643 1.00 0.00 H new ATOM 0 HB VAL A 10 1.628 -4.077 4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.701 -6.241 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.992 -6.468 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.354 -6.518 5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.318 -4.070 6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.020 -4.222 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.093 -2.765 5.898 1.00 0.00 H new ATOM 180 N VAL A 11 2.941 -2.132 2.459 1.00 0.00 N ATOM 181 CA VAL A 11 2.971 -0.694 2.132 1.00 0.00 C ATOM 182 C VAL A 11 1.629 -0.070 2.542 1.00 0.00 C ATOM 183 O VAL A 11 0.626 -0.222 1.843 1.00 0.00 O ATOM 184 CB VAL A 11 3.248 -0.484 0.596 1.00 0.00 C ATOM 185 CG1 VAL A 11 3.211 1.008 0.207 1.00 0.00 C ATOM 186 CG2 VAL A 11 4.597 -1.129 0.202 1.00 0.00 C ATOM 0 H VAL A 11 2.205 -2.643 1.971 1.00 0.00 H new ATOM 0 HA VAL A 11 3.778 -0.205 2.678 1.00 0.00 H new ATOM 0 HB VAL A 11 2.451 -0.978 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.407 1.111 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.228 1.420 0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.972 1.550 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.776 -0.977 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.402 -0.668 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.565 -2.197 0.415 1.00 0.00 H new ATOM 196 N THR A 12 1.641 0.660 3.663 1.00 0.00 N ATOM 197 CA THR A 12 0.429 1.096 4.359 1.00 0.00 C ATOM 198 C THR A 12 0.009 2.517 3.934 1.00 0.00 C ATOM 199 O THR A 12 0.667 3.506 4.277 1.00 0.00 O ATOM 200 CB THR A 12 0.657 1.030 5.904 1.00 0.00 C ATOM 201 OG1 THR A 12 1.068 -0.300 6.267 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.602 1.396 6.694 1.00 0.00 C ATOM 0 H THR A 12 2.502 0.967 4.116 1.00 0.00 H new ATOM 0 HA THR A 12 -0.383 0.422 4.084 1.00 0.00 H new ATOM 0 HB THR A 12 1.429 1.758 6.153 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.214 -0.345 7.235 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.392 1.335 7.762 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.908 2.411 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.404 0.702 6.442 1.00 0.00 H new ATOM 210 N GLN A 13 -1.076 2.592 3.152 1.00 0.00 N ATOM 211 CA GLN A 13 -1.726 3.852 2.786 1.00 0.00 C ATOM 212 C GLN A 13 -2.905 4.103 3.743 1.00 0.00 C ATOM 213 O GLN A 13 -3.939 3.430 3.653 1.00 0.00 O ATOM 214 CB GLN A 13 -2.229 3.785 1.324 1.00 0.00 C ATOM 215 CG GLN A 13 -2.606 5.141 0.699 1.00 0.00 C ATOM 216 CD GLN A 13 -1.401 6.002 0.354 1.00 0.00 C ATOM 217 OE1 GLN A 13 -1.449 7.224 0.460 1.00 0.00 O ATOM 218 NE2 GLN A 13 -0.329 5.376 -0.123 1.00 0.00 N ATOM 0 H GLN A 13 -1.530 1.770 2.753 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.011 4.671 2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.455 3.323 0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.100 3.130 1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.189 4.967 -0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.247 5.687 1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.323 4.359 -0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.488 5.913 -0.414 1.00 0.00 H new ATOM 227 N THR A 14 -2.725 5.030 4.679 1.00 0.00 N ATOM 228 CA THR A 14 -3.767 5.428 5.629 1.00 0.00 C ATOM 229 C THR A 14 -4.552 6.617 5.050 1.00 0.00 C ATOM 230 O THR A 14 -3.994 7.696 4.887 1.00 0.00 O ATOM 231 CB THR A 14 -3.121 5.799 7.006 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.071 6.762 6.813 1.00 0.00 O ATOM 233 CG2 THR A 14 -2.514 4.578 7.713 1.00 0.00 C ATOM 0 H THR A 14 -1.846 5.532 4.803 1.00 0.00 H new ATOM 0 HA THR A 14 -4.456 4.599 5.792 1.00 0.00 H new ATOM 0 HB THR A 14 -3.920 6.205 7.626 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.673 6.990 7.679 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.079 4.887 8.663 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.293 3.838 7.895 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.739 4.141 7.084 1.00 0.00 H new ATOM 241 N ILE A 15 -5.818 6.398 4.668 1.00 0.00 N ATOM 242 CA ILE A 15 -6.676 7.461 4.107 1.00 0.00 C ATOM 243 C ILE A 15 -7.426 8.175 5.232 1.00 0.00 C ATOM 244 O ILE A 15 -8.074 7.530 6.046 1.00 0.00 O ATOM 245 CB ILE A 15 -7.706 6.932 3.011 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.997 6.564 1.667 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.824 7.974 2.728 1.00 0.00 C ATOM 248 CD1 ILE A 15 -5.996 5.428 1.734 1.00 0.00 C ATOM 0 H ILE A 15 -6.276 5.489 4.736 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.013 8.159 3.596 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.153 6.030 3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.762 6.305 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.485 7.451 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.507 7.579 1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.374 8.177 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.376 8.898 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.568 5.261 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.202 5.684 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.498 4.520 2.070 1.00 0.00 H new ATOM 260 N HIS A 16 -7.326 9.508 5.282 1.00 0.00 N ATOM 261 CA HIS A 16 -8.122 10.335 6.206 1.00 0.00 C ATOM 262 C HIS A 16 -9.181 11.076 5.387 1.00 0.00 C ATOM 263 O HIS A 16 -8.840 11.798 4.443 1.00 0.00 O ATOM 264 CB HIS A 16 -7.226 11.347 6.972 1.00 0.00 C ATOM 265 CG HIS A 16 -6.134 10.727 7.815 1.00 0.00 C ATOM 266 ND1 HIS A 16 -5.149 11.471 8.426 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.855 9.435 8.126 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.322 10.674 9.061 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.726 9.441 8.896 1.00 0.00 N ATOM 0 H HIS A 16 -6.695 10.045 4.687 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.595 9.695 6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.767 12.022 6.249 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.861 11.955 7.617 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.419 8.566 7.822 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.454 10.984 9.625 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.270 8.614 9.281 1.00 0.00 H new ATOM 278 N TYR A 17 -10.459 10.889 5.724 1.00 0.00 N ATOM 279 CA TYR A 17 -11.559 11.578 5.047 1.00 0.00 C ATOM 280 C TYR A 17 -11.864 12.857 5.821 1.00 0.00 C ATOM 281 O TYR A 17 -12.378 12.804 6.946 1.00 0.00 O ATOM 282 CB TYR A 17 -12.814 10.676 4.966 1.00 0.00 C ATOM 283 CG TYR A 17 -12.617 9.403 4.135 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.545 9.471 2.746 1.00 0.00 C ATOM 285 CD2 TYR A 17 -12.498 8.148 4.726 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.365 8.349 1.979 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.321 7.018 3.958 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.253 7.123 2.585 1.00 0.00 C ATOM 289 OH TYR A 17 -12.061 6.000 1.813 1.00 0.00 O ATOM 0 H TYR A 17 -10.759 10.260 6.469 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.270 11.818 4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.112 10.395 5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.635 11.252 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.633 10.432 2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -12.545 8.059 5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.312 8.430 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.236 6.051 4.431 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.112 5.201 2.379 1.00 0.00 H new ATOM 299 N ARG A 18 -11.500 13.997 5.234 1.00 0.00 N ATOM 300 CA ARG A 18 -11.755 15.325 5.806 1.00 0.00 C ATOM 301 C ARG A 18 -12.677 16.099 4.859 1.00 0.00 C ATOM 302 O ARG A 18 -12.661 15.861 3.661 1.00 0.00 O ATOM 303 CB ARG A 18 -10.425 16.116 6.002 1.00 0.00 C ATOM 304 CG ARG A 18 -9.436 15.524 7.038 1.00 0.00 C ATOM 305 CD ARG A 18 -9.987 15.550 8.477 1.00 0.00 C ATOM 306 NE ARG A 18 -8.966 15.133 9.460 1.00 0.00 N ATOM 307 CZ ARG A 18 -8.646 15.793 10.592 1.00 0.00 C ATOM 308 NH1 ARG A 18 -9.248 16.923 10.914 1.00 0.00 N ATOM 309 NH2 ARG A 18 -7.709 15.314 11.393 1.00 0.00 N ATOM 0 H ARG A 18 -11.014 14.028 4.338 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.225 15.205 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.918 16.181 5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.671 17.134 6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.202 14.496 6.763 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.502 16.084 7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.333 16.556 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.852 14.890 8.548 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.458 14.270 9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.967 17.310 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.994 17.409 11.774 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.229 14.446 11.155 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.466 15.812 12.249 1.00 0.00 H new ATOM 323 N TYR A 19 -13.477 17.015 5.416 1.00 0.00 N ATOM 324 CA TYR A 19 -14.249 17.995 4.645 1.00 0.00 C ATOM 325 C TYR A 19 -13.334 19.165 4.252 1.00 0.00 C ATOM 326 O TYR A 19 -12.164 19.191 4.643 1.00 0.00 O ATOM 327 CB TYR A 19 -15.442 18.506 5.487 1.00 0.00 C ATOM 328 CG TYR A 19 -16.556 17.473 5.733 1.00 0.00 C ATOM 329 CD1 TYR A 19 -17.454 17.140 4.723 1.00 0.00 C ATOM 330 CD2 TYR A 19 -16.736 16.862 6.975 1.00 0.00 C ATOM 331 CE1 TYR A 19 -18.478 16.249 4.941 1.00 0.00 C ATOM 332 CE2 TYR A 19 -17.768 15.975 7.197 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.635 15.673 6.173 1.00 0.00 C ATOM 334 OH TYR A 19 -19.668 14.797 6.383 1.00 0.00 O ATOM 0 H TYR A 19 -13.608 17.097 6.424 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.638 17.525 3.742 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -15.066 18.849 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.875 19.373 4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.344 17.591 3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -16.052 17.089 7.779 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.159 16.003 4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.895 15.520 8.168 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.641 14.475 7.308 1.00 0.00 H new ATOM 344 N GLU A 20 -13.869 20.143 3.501 1.00 0.00 N ATOM 345 CA GLU A 20 -13.117 21.372 3.162 1.00 0.00 C ATOM 346 C GLU A 20 -12.865 22.210 4.428 1.00 0.00 C ATOM 347 O GLU A 20 -11.824 22.866 4.549 1.00 0.00 O ATOM 348 CB GLU A 20 -13.840 22.222 2.085 1.00 0.00 C ATOM 349 CG GLU A 20 -15.272 22.651 2.452 1.00 0.00 C ATOM 350 CD GLU A 20 -15.750 23.891 1.694 1.00 0.00 C ATOM 351 OE1 GLU A 20 -16.253 23.757 0.571 1.00 0.00 O ATOM 352 OE2 GLU A 20 -15.605 25.011 2.225 1.00 0.00 O ATOM 0 H GLU A 20 -14.814 20.111 3.117 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.161 21.063 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.247 23.116 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.874 21.653 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.954 21.825 2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.321 22.848 3.523 1.00 0.00 H new ATOM 359 N ASP A 21 -13.824 22.141 5.377 1.00 0.00 N ATOM 360 CA ASP A 21 -13.746 22.842 6.675 1.00 0.00 C ATOM 361 C ASP A 21 -12.687 22.200 7.598 1.00 0.00 C ATOM 362 O ASP A 21 -12.219 22.832 8.554 1.00 0.00 O ATOM 363 CB ASP A 21 -15.140 22.831 7.354 1.00 0.00 C ATOM 364 CG ASP A 21 -15.210 23.673 8.639 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.204 24.920 8.539 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.229 23.098 9.749 1.00 0.00 O ATOM 0 H ASP A 21 -14.678 21.595 5.262 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.440 23.873 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.882 23.202 6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.411 21.802 7.590 1.00 0.00 H new ATOM 371 N GLY A 22 -12.302 20.945 7.283 1.00 0.00 N ATOM 372 CA GLY A 22 -11.318 20.197 8.076 1.00 0.00 C ATOM 373 C GLY A 22 -11.959 19.186 9.016 1.00 0.00 C ATOM 374 O GLY A 22 -11.250 18.449 9.694 1.00 0.00 O ATOM 0 H GLY A 22 -12.663 20.431 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.636 19.678 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.720 20.898 8.658 1.00 0.00 H new ATOM 378 N ALA A 23 -13.302 19.153 9.055 1.00 0.00 N ATOM 379 CA ALA A 23 -14.065 18.206 9.891 1.00 0.00 C ATOM 380 C ALA A 23 -13.872 16.756 9.397 1.00 0.00 C ATOM 381 O ALA A 23 -13.788 16.524 8.198 1.00 0.00 O ATOM 382 CB ALA A 23 -15.551 18.602 9.895 1.00 0.00 C ATOM 0 H ALA A 23 -13.891 19.782 8.508 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.690 18.252 10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.113 17.901 10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.658 19.609 10.299 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.937 18.577 8.876 1.00 0.00 H new ATOM 388 N VAL A 24 -13.795 15.796 10.326 1.00 0.00 N ATOM 389 CA VAL A 24 -13.545 14.381 9.997 1.00 0.00 C ATOM 390 C VAL A 24 -14.836 13.725 9.466 1.00 0.00 C ATOM 391 O VAL A 24 -15.792 13.522 10.214 1.00 0.00 O ATOM 392 CB VAL A 24 -12.991 13.590 11.249 1.00 0.00 C ATOM 393 CG1 VAL A 24 -12.694 12.106 10.912 1.00 0.00 C ATOM 394 CG2 VAL A 24 -11.735 14.291 11.828 1.00 0.00 C ATOM 0 H VAL A 24 -13.903 15.973 11.325 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.783 14.341 9.218 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.771 13.596 12.010 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.315 11.600 11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.610 11.618 10.579 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.947 12.055 10.120 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.370 13.731 12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.957 14.332 11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.994 15.304 12.138 1.00 0.00 H new ATOM 404 N ALA A 25 -14.871 13.462 8.148 1.00 0.00 N ATOM 405 CA ALA A 25 -15.936 12.669 7.511 1.00 0.00 C ATOM 406 C ALA A 25 -15.856 11.211 8.004 1.00 0.00 C ATOM 407 O ALA A 25 -16.858 10.615 8.397 1.00 0.00 O ATOM 408 CB ALA A 25 -15.809 12.754 5.980 1.00 0.00 C ATOM 0 H ALA A 25 -14.161 13.793 7.495 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.911 13.070 7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.600 12.165 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.898 13.794 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.839 12.364 5.673 1.00 0.00 H new ATOM 414 N HIS A 26 -14.619 10.682 7.986 1.00 0.00 N ATOM 415 CA HIS A 26 -14.240 9.350 8.520 1.00 0.00 C ATOM 416 C HIS A 26 -12.713 9.324 8.734 1.00 0.00 C ATOM 417 O HIS A 26 -11.976 10.070 8.089 1.00 0.00 O ATOM 418 CB HIS A 26 -14.699 8.183 7.578 1.00 0.00 C ATOM 419 CG HIS A 26 -16.016 7.552 7.958 1.00 0.00 C ATOM 420 ND1 HIS A 26 -17.228 8.003 7.497 1.00 0.00 N ATOM 421 CD2 HIS A 26 -16.295 6.490 8.746 1.00 0.00 C ATOM 422 CE1 HIS A 26 -18.197 7.251 7.977 1.00 0.00 C ATOM 423 NE2 HIS A 26 -17.657 6.321 8.738 1.00 0.00 N ATOM 0 H HIS A 26 -13.825 11.183 7.587 1.00 0.00 H new ATOM 0 HA HIS A 26 -14.751 9.192 9.470 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.774 8.564 6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.929 7.412 7.575 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.579 5.886 9.283 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -19.252 7.375 7.781 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.168 5.594 9.239 1.00 0.00 H new ATOM 432 N ASP A 27 -12.252 8.481 9.667 1.00 0.00 N ATOM 433 CA ASP A 27 -10.833 8.428 10.088 1.00 0.00 C ATOM 434 C ASP A 27 -10.007 7.464 9.191 1.00 0.00 C ATOM 435 O ASP A 27 -10.344 7.283 8.011 1.00 0.00 O ATOM 436 CB ASP A 27 -10.768 8.067 11.602 1.00 0.00 C ATOM 437 CG ASP A 27 -11.411 6.717 11.946 1.00 0.00 C ATOM 438 OD1 ASP A 27 -10.712 5.682 11.909 1.00 0.00 O ATOM 439 OD2 ASP A 27 -12.622 6.685 12.245 1.00 0.00 O ATOM 0 H ASP A 27 -12.848 7.813 10.156 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.371 9.407 9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.725 8.053 11.918 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.264 8.851 12.174 1.00 0.00 H new ATOM 444 N ASP A 28 -8.913 6.900 9.753 1.00 0.00 N ATOM 445 CA ASP A 28 -7.929 6.069 9.028 1.00 0.00 C ATOM 446 C ASP A 28 -8.563 4.856 8.308 1.00 0.00 C ATOM 447 O ASP A 28 -8.740 3.791 8.902 1.00 0.00 O ATOM 448 CB ASP A 28 -6.832 5.570 10.007 1.00 0.00 C ATOM 449 CG ASP A 28 -5.999 6.692 10.635 1.00 0.00 C ATOM 450 OD1 ASP A 28 -6.511 7.397 11.531 1.00 0.00 O ATOM 451 OD2 ASP A 28 -4.840 6.894 10.217 1.00 0.00 O ATOM 0 H ASP A 28 -8.687 7.013 10.741 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.495 6.707 8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.304 4.994 10.802 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.166 4.891 9.474 1.00 0.00 H new ATOM 456 N HIS A 29 -8.942 5.043 7.036 1.00 0.00 N ATOM 457 CA HIS A 29 -9.277 3.939 6.124 1.00 0.00 C ATOM 458 C HIS A 29 -7.957 3.367 5.580 1.00 0.00 C ATOM 459 O HIS A 29 -7.421 3.848 4.577 1.00 0.00 O ATOM 460 CB HIS A 29 -10.194 4.434 4.976 1.00 0.00 C ATOM 461 CG HIS A 29 -10.853 3.350 4.148 1.00 0.00 C ATOM 462 ND1 HIS A 29 -11.907 3.598 3.304 1.00 0.00 N ATOM 463 CD2 HIS A 29 -10.632 2.016 4.068 1.00 0.00 C ATOM 464 CE1 HIS A 29 -12.308 2.479 2.754 1.00 0.00 C ATOM 465 NE2 HIS A 29 -11.549 1.502 3.195 1.00 0.00 N ATOM 0 H HIS A 29 -9.025 5.966 6.609 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.828 3.161 6.652 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.974 5.063 5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.604 5.065 4.311 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.871 1.461 4.597 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.125 2.377 2.055 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -11.631 0.521 2.929 1.00 0.00 H new ATOM 474 N VAL A 30 -7.446 2.358 6.275 1.00 0.00 N ATOM 475 CA VAL A 30 -6.110 1.806 6.046 1.00 0.00 C ATOM 476 C VAL A 30 -6.152 0.645 5.035 1.00 0.00 C ATOM 477 O VAL A 30 -6.888 -0.329 5.221 1.00 0.00 O ATOM 478 CB VAL A 30 -5.494 1.287 7.404 1.00 0.00 C ATOM 479 CG1 VAL A 30 -4.049 0.768 7.213 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.565 2.377 8.502 1.00 0.00 C ATOM 0 H VAL A 30 -7.954 1.891 7.026 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.488 2.603 5.639 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.097 0.442 7.737 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.658 0.419 8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.050 -0.056 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.420 1.574 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.134 1.991 9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.006 3.255 8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.605 2.652 8.675 1.00 0.00 H new ATOM 490 N VAL A 31 -5.375 0.787 3.963 1.00 0.00 N ATOM 491 CA VAL A 31 -5.019 -0.309 3.052 1.00 0.00 C ATOM 492 C VAL A 31 -3.501 -0.523 3.163 1.00 0.00 C ATOM 493 O VAL A 31 -2.766 0.408 3.495 1.00 0.00 O ATOM 494 CB VAL A 31 -5.446 0.006 1.563 1.00 0.00 C ATOM 495 CG1 VAL A 31 -4.810 1.318 1.054 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.136 -1.181 0.608 1.00 0.00 C ATOM 0 H VAL A 31 -4.966 1.682 3.695 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.554 -1.216 3.333 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.527 0.145 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.126 1.501 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.130 2.147 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.724 1.233 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.445 -0.923 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.066 -1.387 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.680 -2.066 0.939 1.00 0.00 H new ATOM 506 N SER A 32 -3.044 -1.750 2.923 1.00 0.00 N ATOM 507 CA SER A 32 -1.622 -2.098 2.921 1.00 0.00 C ATOM 508 C SER A 32 -1.373 -3.140 1.829 1.00 0.00 C ATOM 509 O SER A 32 -2.158 -4.075 1.694 1.00 0.00 O ATOM 510 CB SER A 32 -1.192 -2.620 4.311 1.00 0.00 C ATOM 511 OG SER A 32 -2.070 -3.635 4.777 1.00 0.00 O ATOM 0 H SER A 32 -3.656 -2.541 2.722 1.00 0.00 H new ATOM 0 HA SER A 32 -1.021 -1.213 2.710 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.176 -3.012 4.256 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.177 -1.795 5.023 1.00 0.00 H new ATOM 0 HG SER A 32 -1.772 -3.947 5.657 1.00 0.00 H new ATOM 517 N LEU A 33 -0.289 -2.974 1.048 1.00 0.00 N ATOM 518 CA LEU A 33 0.040 -3.889 -0.057 1.00 0.00 C ATOM 519 C LEU A 33 1.090 -4.895 0.412 1.00 0.00 C ATOM 520 O LEU A 33 2.180 -4.508 0.807 1.00 0.00 O ATOM 521 CB LEU A 33 0.582 -3.108 -1.276 1.00 0.00 C ATOM 522 CG LEU A 33 -0.376 -2.064 -1.917 1.00 0.00 C ATOM 523 CD1 LEU A 33 0.269 -1.444 -3.178 1.00 0.00 C ATOM 524 CD2 LEU A 33 -1.775 -2.666 -2.221 1.00 0.00 C ATOM 0 H LEU A 33 0.376 -2.210 1.165 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.868 -4.412 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.493 -2.593 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.864 -3.828 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.536 -1.267 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.414 -0.715 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.201 -0.949 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.475 -2.230 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.411 -1.902 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.669 -3.500 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.228 -3.019 -1.295 1.00 0.00 H new ATOM 536 N ILE A 34 0.752 -6.178 0.313 1.00 0.00 N ATOM 537 CA ILE A 34 1.592 -7.284 0.774 1.00 0.00 C ATOM 538 C ILE A 34 2.528 -7.710 -0.371 1.00 0.00 C ATOM 539 O ILE A 34 2.063 -8.148 -1.434 1.00 0.00 O ATOM 540 CB ILE A 34 0.710 -8.514 1.274 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.052 -8.188 2.615 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.569 -9.797 1.446 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.176 -7.160 2.518 1.00 0.00 C ATOM 0 H ILE A 34 -0.130 -6.486 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 34 2.185 -6.950 1.625 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.035 -8.696 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.469 -9.116 3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.675 -7.833 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.936 -10.616 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.021 -10.063 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.353 -9.614 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.625 -7.018 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.772 -6.212 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.934 -7.515 1.820 1.00 0.00 H new ATOM 555 N PHE A 35 3.839 -7.508 -0.161 1.00 0.00 N ATOM 556 CA PHE A 35 4.898 -8.000 -1.057 1.00 0.00 C ATOM 557 C PHE A 35 5.660 -9.126 -0.347 1.00 0.00 C ATOM 558 O PHE A 35 6.517 -8.874 0.498 1.00 0.00 O ATOM 559 CB PHE A 35 5.855 -6.838 -1.438 1.00 0.00 C ATOM 560 CG PHE A 35 5.175 -5.702 -2.211 1.00 0.00 C ATOM 561 CD1 PHE A 35 5.091 -5.733 -3.599 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.628 -4.604 -1.547 1.00 0.00 C ATOM 563 CE1 PHE A 35 4.487 -4.703 -4.297 1.00 0.00 C ATOM 564 CE2 PHE A 35 4.026 -3.579 -2.249 1.00 0.00 C ATOM 565 CZ PHE A 35 3.956 -3.626 -3.622 1.00 0.00 C ATOM 0 H PHE A 35 4.197 -6.993 0.644 1.00 0.00 H new ATOM 0 HA PHE A 35 4.460 -8.388 -1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.297 -6.432 -0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.672 -7.236 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.503 -6.573 -4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.676 -4.555 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.431 -4.743 -5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.608 -2.737 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.487 -2.822 -4.169 1.00 0.00 H new ATOM 575 N THR A 36 5.317 -10.373 -0.684 1.00 0.00 N ATOM 576 CA THR A 36 5.948 -11.558 -0.092 1.00 0.00 C ATOM 577 C THR A 36 7.164 -11.961 -0.940 1.00 0.00 C ATOM 578 O THR A 36 7.001 -12.531 -2.028 1.00 0.00 O ATOM 579 CB THR A 36 4.923 -12.735 0.011 1.00 0.00 C ATOM 580 OG1 THR A 36 3.756 -12.291 0.716 1.00 0.00 O ATOM 581 CG2 THR A 36 5.509 -13.958 0.735 1.00 0.00 C ATOM 0 H THR A 36 4.596 -10.590 -1.373 1.00 0.00 H new ATOM 0 HA THR A 36 6.282 -11.323 0.919 1.00 0.00 H new ATOM 0 HB THR A 36 4.671 -13.037 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.112 -13.027 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.759 -14.748 0.781 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.383 -14.318 0.192 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.802 -13.676 1.747 1.00 0.00 H new ATOM 589 N GLN A 37 8.383 -11.621 -0.463 1.00 0.00 N ATOM 590 CA GLN A 37 9.616 -11.946 -1.188 1.00 0.00 C ATOM 591 C GLN A 37 9.994 -13.394 -0.981 1.00 0.00 C ATOM 592 O GLN A 37 10.465 -13.750 0.091 1.00 0.00 O ATOM 593 CB GLN A 37 10.820 -11.056 -0.794 1.00 0.00 C ATOM 594 CG GLN A 37 11.982 -11.155 -1.806 1.00 0.00 C ATOM 595 CD GLN A 37 13.289 -10.524 -1.364 1.00 0.00 C ATOM 596 OE1 GLN A 37 13.324 -9.647 -0.512 1.00 0.00 O ATOM 597 NE2 GLN A 37 14.366 -10.922 -2.008 1.00 0.00 N ATOM 0 H GLN A 37 8.531 -11.125 0.416 1.00 0.00 H new ATOM 0 HA GLN A 37 9.394 -11.754 -2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.493 -10.019 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.176 -11.348 0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.162 -12.208 -2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.669 -10.686 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.297 -11.657 -2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.270 -10.496 -1.803 1.00 0.00 H new ATOM 606 N SER A 38 9.782 -14.207 -2.005 1.00 0.00 N ATOM 607 CA SER A 38 10.184 -15.602 -1.995 1.00 0.00 C ATOM 608 C SER A 38 11.717 -15.719 -2.168 1.00 0.00 C ATOM 609 O SER A 38 12.352 -14.943 -2.904 1.00 0.00 O ATOM 610 CB SER A 38 9.440 -16.357 -3.108 1.00 0.00 C ATOM 611 OG SER A 38 9.625 -15.725 -4.367 1.00 0.00 O ATOM 0 H SER A 38 9.324 -13.915 -2.869 1.00 0.00 H new ATOM 0 HA SER A 38 9.923 -16.050 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.799 -17.385 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.377 -16.402 -2.873 1.00 0.00 H new ATOM 0 HG SER A 38 9.143 -16.225 -5.058 1.00 0.00 H new ATOM 617 N GLY A 39 12.272 -16.697 -1.471 1.00 0.00 N ATOM 618 CA GLY A 39 13.691 -17.021 -1.503 1.00 0.00 C ATOM 619 C GLY A 39 13.886 -18.456 -1.072 1.00 0.00 C ATOM 620 O GLY A 39 12.922 -19.237 -1.099 1.00 0.00 O ATOM 0 H GLY A 39 11.735 -17.304 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.087 -16.874 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.243 -16.353 -0.842 1.00 0.00 H new ATOM 624 N LYS A 40 15.101 -18.824 -0.653 1.00 0.00 N ATOM 625 CA LYS A 40 15.394 -20.193 -0.210 1.00 0.00 C ATOM 626 C LYS A 40 16.596 -20.214 0.740 1.00 0.00 C ATOM 627 O LYS A 40 17.578 -19.512 0.516 1.00 0.00 O ATOM 628 CB LYS A 40 15.566 -21.143 -1.438 1.00 0.00 C ATOM 629 CG LYS A 40 16.666 -20.780 -2.483 1.00 0.00 C ATOM 630 CD LYS A 40 18.066 -21.369 -2.159 1.00 0.00 C ATOM 631 CE LYS A 40 19.089 -21.114 -3.273 1.00 0.00 C ATOM 632 NZ LYS A 40 18.702 -21.727 -4.562 1.00 0.00 N ATOM 0 H LYS A 40 15.900 -18.192 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 40 14.546 -20.572 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.777 -22.144 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.610 -21.194 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.352 -21.136 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.746 -19.695 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.432 -20.934 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.975 -22.443 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.210 -20.039 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.058 -21.507 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.510 -21.700 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.416 -22.715 -4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.907 -21.198 -4.973 1.00 0.00 H new ATOM 646 N ARG A 41 16.497 -21.008 1.827 1.00 0.00 N ATOM 647 CA ARG A 41 17.559 -21.140 2.836 1.00 0.00 C ATOM 648 C ARG A 41 18.127 -22.562 2.785 1.00 0.00 C ATOM 649 O ARG A 41 17.369 -23.539 2.826 1.00 0.00 O ATOM 650 CB ARG A 41 16.994 -20.803 4.256 1.00 0.00 C ATOM 651 CG ARG A 41 18.032 -20.738 5.413 1.00 0.00 C ATOM 652 CD ARG A 41 18.201 -22.059 6.195 1.00 0.00 C ATOM 653 NE ARG A 41 17.033 -22.359 7.048 1.00 0.00 N ATOM 654 CZ ARG A 41 17.072 -22.676 8.361 1.00 0.00 C ATOM 655 NH1 ARG A 41 18.218 -22.721 9.029 1.00 0.00 N ATOM 656 NH2 ARG A 41 15.940 -22.944 8.996 1.00 0.00 N ATOM 0 H ARG A 41 15.674 -21.576 2.026 1.00 0.00 H new ATOM 0 HA ARG A 41 18.364 -20.436 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.482 -19.842 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.243 -21.550 4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.999 -20.448 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.733 -19.954 6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.354 -22.878 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 41 19.095 -22.000 6.815 1.00 0.00 H new ATOM 0 HE ARG A 41 16.114 -22.324 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.095 -22.514 8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 41 18.222 -22.963 10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.053 -22.910 8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.956 -23.185 9.987 1.00 0.00 H new ATOM 670 N ASP A 42 19.458 -22.658 2.688 1.00 0.00 N ATOM 671 CA ASP A 42 20.181 -23.931 2.750 1.00 0.00 C ATOM 672 C ASP A 42 20.322 -24.365 4.212 1.00 0.00 C ATOM 673 O ASP A 42 20.769 -23.584 5.041 1.00 0.00 O ATOM 674 CB ASP A 42 21.571 -23.791 2.097 1.00 0.00 C ATOM 675 CG ASP A 42 22.386 -25.088 2.157 1.00 0.00 C ATOM 676 OD1 ASP A 42 21.902 -26.147 1.691 1.00 0.00 O ATOM 677 OD2 ASP A 42 23.492 -25.062 2.699 1.00 0.00 O ATOM 0 H ASP A 42 20.066 -21.849 2.564 1.00 0.00 H new ATOM 0 HA ASP A 42 19.621 -24.689 2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.450 -23.490 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.124 -22.996 2.597 1.00 0.00 H new ATOM 682 N LEU A 43 19.963 -25.619 4.496 1.00 0.00 N ATOM 683 CA LEU A 43 19.814 -26.137 5.871 1.00 0.00 C ATOM 684 C LEU A 43 21.150 -26.595 6.503 1.00 0.00 C ATOM 685 O LEU A 43 21.213 -26.772 7.720 1.00 0.00 O ATOM 686 CB LEU A 43 18.767 -27.286 5.878 1.00 0.00 C ATOM 687 CG LEU A 43 17.318 -26.877 5.441 1.00 0.00 C ATOM 688 CD1 LEU A 43 16.359 -28.090 5.440 1.00 0.00 C ATOM 689 CD2 LEU A 43 16.770 -25.734 6.330 1.00 0.00 C ATOM 0 H LEU A 43 19.764 -26.315 3.777 1.00 0.00 H new ATOM 0 HA LEU A 43 19.464 -25.314 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.118 -28.078 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.720 -27.706 6.883 1.00 0.00 H new ATOM 0 HG LEU A 43 17.378 -26.508 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.364 -27.767 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.727 -28.844 4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.308 -28.515 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.764 -25.470 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.741 -26.063 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.419 -24.863 6.243 1.00 0.00 H new ATOM 701 N THR A 44 22.208 -26.806 5.688 1.00 0.00 N ATOM 702 CA THR A 44 23.518 -27.277 6.201 1.00 0.00 C ATOM 703 C THR A 44 24.468 -26.084 6.475 1.00 0.00 C ATOM 704 O THR A 44 25.240 -26.103 7.445 1.00 0.00 O ATOM 705 CB THR A 44 24.174 -28.361 5.269 1.00 0.00 C ATOM 706 OG1 THR A 44 25.388 -28.868 5.848 1.00 0.00 O ATOM 707 CG2 THR A 44 24.462 -27.858 3.848 1.00 0.00 C ATOM 0 H THR A 44 22.183 -26.659 4.679 1.00 0.00 H new ATOM 0 HA THR A 44 23.334 -27.775 7.153 1.00 0.00 H new ATOM 0 HB THR A 44 23.435 -29.158 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 44 25.778 -29.542 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 44 24.914 -28.659 3.263 1.00 0.00 H new ATOM 0 HG22 THR A 44 23.530 -27.546 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 44 25.147 -27.011 3.894 1.00 0.00 H new ATOM 715 N ASN A 45 24.399 -25.041 5.629 1.00 0.00 N ATOM 716 CA ASN A 45 25.189 -23.797 5.816 1.00 0.00 C ATOM 717 C ASN A 45 24.394 -22.793 6.670 1.00 0.00 C ATOM 718 O ASN A 45 24.973 -22.038 7.464 1.00 0.00 O ATOM 719 CB ASN A 45 25.546 -23.182 4.426 1.00 0.00 C ATOM 720 CG ASN A 45 26.584 -22.043 4.447 1.00 0.00 C ATOM 721 OD1 ASN A 45 26.755 -21.321 5.422 1.00 0.00 O ATOM 722 ND2 ASN A 45 27.255 -21.856 3.330 1.00 0.00 N ATOM 0 H ASN A 45 23.802 -25.029 4.802 1.00 0.00 H new ATOM 0 HA ASN A 45 26.116 -24.033 6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 45 25.920 -23.978 3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 45 24.630 -22.806 3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 45 27.934 -21.098 3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 45 27.096 -22.470 2.531 1.00 0.00 H new ATOM 729 N GLY A 46 23.056 -22.829 6.545 1.00 0.00 N ATOM 730 CA GLY A 46 22.181 -21.854 7.218 1.00 0.00 C ATOM 731 C GLY A 46 22.177 -20.501 6.511 1.00 0.00 C ATOM 732 O GLY A 46 21.945 -19.465 7.139 1.00 0.00 O ATOM 0 H GLY A 46 22.558 -23.521 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.164 -22.246 7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.511 -21.723 8.249 1.00 0.00 H new ATOM 736 N LYS A 47 22.435 -20.521 5.189 1.00 0.00 N ATOM 737 CA LYS A 47 22.542 -19.302 4.354 1.00 0.00 C ATOM 738 C LYS A 47 21.204 -19.002 3.640 1.00 0.00 C ATOM 739 O LYS A 47 20.527 -19.924 3.182 1.00 0.00 O ATOM 740 CB LYS A 47 23.684 -19.485 3.316 1.00 0.00 C ATOM 741 CG LYS A 47 23.493 -20.685 2.358 1.00 0.00 C ATOM 742 CD LYS A 47 24.665 -20.891 1.379 1.00 0.00 C ATOM 743 CE LYS A 47 24.890 -19.698 0.441 1.00 0.00 C ATOM 744 NZ LYS A 47 26.049 -19.914 -0.455 1.00 0.00 N ATOM 0 H LYS A 47 22.576 -21.385 4.665 1.00 0.00 H new ATOM 0 HA LYS A 47 22.773 -18.453 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.770 -18.574 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.627 -19.608 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.361 -21.592 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.576 -20.540 1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.577 -21.074 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.478 -21.783 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.994 -19.532 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 47 25.050 -18.796 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 26.169 -19.086 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.908 -20.047 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.885 -20.760 -1.037 1.00 0.00 H new ATOM 758 N GLU A 48 20.835 -17.710 3.553 1.00 0.00 N ATOM 759 CA GLU A 48 19.597 -17.251 2.884 1.00 0.00 C ATOM 760 C GLU A 48 19.920 -16.659 1.502 1.00 0.00 C ATOM 761 O GLU A 48 20.624 -15.651 1.402 1.00 0.00 O ATOM 762 CB GLU A 48 18.894 -16.190 3.758 1.00 0.00 C ATOM 763 CG GLU A 48 18.380 -16.719 5.105 1.00 0.00 C ATOM 764 CD GLU A 48 17.855 -15.608 6.027 1.00 0.00 C ATOM 765 OE1 GLU A 48 18.687 -14.918 6.666 1.00 0.00 O ATOM 766 OE2 GLU A 48 16.623 -15.419 6.118 1.00 0.00 O ATOM 0 H GLU A 48 21.389 -16.949 3.946 1.00 0.00 H new ATOM 0 HA GLU A 48 18.934 -18.106 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.589 -15.371 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.055 -15.775 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.583 -17.441 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.185 -17.252 5.610 1.00 0.00 H new ATOM 773 N ILE A 49 19.423 -17.311 0.444 1.00 0.00 N ATOM 774 CA ILE A 49 19.549 -16.837 -0.944 1.00 0.00 C ATOM 775 C ILE A 49 18.162 -16.389 -1.423 1.00 0.00 C ATOM 776 O ILE A 49 17.292 -17.224 -1.689 1.00 0.00 O ATOM 777 CB ILE A 49 20.116 -17.932 -1.937 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.434 -18.600 -1.402 1.00 0.00 C ATOM 779 CG2 ILE A 49 20.332 -17.328 -3.351 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.219 -19.700 -0.367 1.00 0.00 C ATOM 0 H ILE A 49 18.916 -18.192 0.526 1.00 0.00 H new ATOM 0 HA ILE A 49 20.267 -16.017 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 49 19.369 -18.723 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.982 -19.017 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.065 -17.827 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.722 -18.096 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.382 -16.959 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 49 21.044 -16.505 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.184 -20.101 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.702 -19.288 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.618 -20.498 -0.803 1.00 0.00 H new ATOM 792 N TRP A 50 17.965 -15.078 -1.475 1.00 0.00 N ATOM 793 CA TRP A 50 16.724 -14.447 -1.942 1.00 0.00 C ATOM 794 C TRP A 50 16.816 -14.195 -3.450 1.00 0.00 C ATOM 795 O TRP A 50 17.898 -13.892 -3.952 1.00 0.00 O ATOM 796 CB TRP A 50 16.516 -13.125 -1.172 1.00 0.00 C ATOM 797 CG TRP A 50 16.487 -13.329 0.323 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.546 -13.304 1.195 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.339 -13.648 1.106 1.00 0.00 C ATOM 800 NE1 TRP A 50 17.115 -13.597 2.458 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.767 -13.800 2.432 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.990 -13.814 0.808 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.894 -14.109 3.459 1.00 0.00 C ATOM 804 CZ3 TRP A 50 13.126 -14.120 1.829 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.581 -14.274 3.138 1.00 0.00 C ATOM 0 H TRP A 50 18.675 -14.404 -1.189 1.00 0.00 H new ATOM 0 HA TRP A 50 15.872 -15.101 -1.756 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.316 -12.430 -1.426 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.581 -12.665 -1.491 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.568 -13.085 0.923 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.707 -13.655 3.287 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.631 -13.704 -0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.240 -14.215 4.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 12.075 -14.244 1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.876 -14.530 3.915 1.00 0.00 H new ATOM 816 N ASP A 51 15.680 -14.316 -4.153 1.00 0.00 N ATOM 817 CA ASP A 51 15.620 -14.174 -5.620 1.00 0.00 C ATOM 818 C ASP A 51 15.918 -12.717 -6.029 1.00 0.00 C ATOM 819 O ASP A 51 15.157 -11.816 -5.694 1.00 0.00 O ATOM 820 CB ASP A 51 14.230 -14.632 -6.143 1.00 0.00 C ATOM 821 CG ASP A 51 14.111 -14.633 -7.680 1.00 0.00 C ATOM 822 OD1 ASP A 51 15.018 -15.162 -8.358 1.00 0.00 O ATOM 823 OD2 ASP A 51 13.105 -14.140 -8.223 1.00 0.00 O ATOM 0 H ASP A 51 14.777 -14.515 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 51 16.380 -14.811 -6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.026 -15.636 -5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.463 -13.977 -5.729 1.00 0.00 H new ATOM 828 N SER A 52 17.053 -12.512 -6.724 1.00 0.00 N ATOM 829 CA SER A 52 17.529 -11.179 -7.152 1.00 0.00 C ATOM 830 C SER A 52 16.553 -10.501 -8.124 1.00 0.00 C ATOM 831 O SER A 52 16.328 -9.282 -8.059 1.00 0.00 O ATOM 832 CB SER A 52 18.915 -11.307 -7.823 1.00 0.00 C ATOM 833 OG SER A 52 19.827 -11.986 -6.989 1.00 0.00 O ATOM 0 H SER A 52 17.672 -13.272 -7.007 1.00 0.00 H new ATOM 0 HA SER A 52 17.599 -10.557 -6.260 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.816 -11.841 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.301 -10.315 -8.056 1.00 0.00 H new ATOM 0 HG SER A 52 20.695 -12.054 -7.440 1.00 0.00 H new ATOM 839 N LYS A 53 15.984 -11.312 -9.032 1.00 0.00 N ATOM 840 CA LYS A 53 15.082 -10.824 -10.092 1.00 0.00 C ATOM 841 C LYS A 53 13.643 -10.651 -9.578 1.00 0.00 C ATOM 842 O LYS A 53 12.793 -10.137 -10.322 1.00 0.00 O ATOM 843 CB LYS A 53 15.128 -11.772 -11.313 1.00 0.00 C ATOM 844 CG LYS A 53 14.422 -13.101 -11.077 1.00 0.00 C ATOM 845 CD LYS A 53 14.546 -14.089 -12.256 1.00 0.00 C ATOM 846 CE LYS A 53 13.656 -15.329 -12.072 1.00 0.00 C ATOM 847 NZ LYS A 53 13.946 -16.045 -10.806 1.00 0.00 N ATOM 0 H LYS A 53 16.135 -12.321 -9.053 1.00 0.00 H new ATOM 0 HA LYS A 53 15.431 -9.840 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.671 -11.273 -12.168 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.168 -11.964 -11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.832 -13.566 -10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.366 -12.912 -10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.273 -13.583 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.585 -14.402 -12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.609 -15.027 -12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.803 -16.007 -12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.214 -17.028 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.728 -15.571 -10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.099 -16.039 -10.202 1.00 0.00 H new ATOM 861 N TRP A 54 13.376 -11.093 -8.319 1.00 0.00 N ATOM 862 CA TRP A 54 12.050 -10.955 -7.687 1.00 0.00 C ATOM 863 C TRP A 54 11.620 -9.490 -7.731 1.00 0.00 C ATOM 864 O TRP A 54 12.351 -8.611 -7.272 1.00 0.00 O ATOM 865 CB TRP A 54 12.065 -11.466 -6.214 1.00 0.00 C ATOM 866 CG TRP A 54 10.740 -11.359 -5.471 1.00 0.00 C ATOM 867 CD1 TRP A 54 9.829 -12.356 -5.277 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.182 -10.189 -4.815 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.760 -11.885 -4.568 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.946 -10.563 -4.284 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.609 -8.869 -4.634 1.00 0.00 C ATOM 872 CZ2 TRP A 54 8.132 -9.677 -3.586 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.801 -7.990 -3.955 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.575 -8.397 -3.434 1.00 0.00 C ATOM 0 H TRP A 54 14.070 -11.549 -7.726 1.00 0.00 H new ATOM 0 HA TRP A 54 11.338 -11.566 -8.241 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.379 -12.510 -6.213 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.819 -10.905 -5.661 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.937 -13.370 -5.632 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.947 -12.437 -4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.563 -8.545 -5.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.183 -9.992 -3.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.121 -6.967 -3.823 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.964 -7.685 -2.899 1.00 0.00 H new ATOM 885 N SER A 55 10.446 -9.260 -8.305 1.00 0.00 N ATOM 886 CA SER A 55 9.820 -7.951 -8.366 1.00 0.00 C ATOM 887 C SER A 55 8.318 -8.145 -8.483 1.00 0.00 C ATOM 888 O SER A 55 7.826 -8.596 -9.515 1.00 0.00 O ATOM 889 CB SER A 55 10.404 -7.131 -9.537 1.00 0.00 C ATOM 890 OG SER A 55 10.394 -7.873 -10.749 1.00 0.00 O ATOM 0 H SER A 55 9.894 -9.994 -8.749 1.00 0.00 H new ATOM 0 HA SER A 55 10.025 -7.382 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.826 -6.215 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.425 -6.833 -9.300 1.00 0.00 H new ATOM 0 HG SER A 55 9.593 -8.437 -10.781 1.00 0.00 H new ATOM 896 N LEU A 56 7.593 -7.837 -7.409 1.00 0.00 N ATOM 897 CA LEU A 56 6.147 -8.026 -7.351 1.00 0.00 C ATOM 898 C LEU A 56 5.483 -6.675 -7.579 1.00 0.00 C ATOM 899 O LEU A 56 5.839 -5.688 -6.926 1.00 0.00 O ATOM 900 CB LEU A 56 5.738 -8.626 -5.983 1.00 0.00 C ATOM 901 CG LEU A 56 4.242 -9.047 -5.831 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.862 -10.148 -6.854 1.00 0.00 C ATOM 903 CD2 LEU A 56 3.944 -9.500 -4.380 1.00 0.00 C ATOM 0 H LEU A 56 7.993 -7.449 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 56 5.824 -8.726 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.360 -9.501 -5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.969 -7.896 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 56 3.623 -8.175 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.815 -10.420 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.016 -9.773 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.488 -11.026 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.896 -9.789 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.576 -10.351 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.150 -8.679 -3.693 1.00 0.00 H new ATOM 915 N THR A 57 4.563 -6.624 -8.541 1.00 0.00 N ATOM 916 CA THR A 57 3.751 -5.441 -8.803 1.00 0.00 C ATOM 917 C THR A 57 2.385 -5.621 -8.138 1.00 0.00 C ATOM 918 O THR A 57 1.619 -6.508 -8.523 1.00 0.00 O ATOM 919 CB THR A 57 3.596 -5.203 -10.338 1.00 0.00 C ATOM 920 OG1 THR A 57 4.894 -5.147 -10.938 1.00 0.00 O ATOM 921 CG2 THR A 57 2.852 -3.897 -10.643 1.00 0.00 C ATOM 0 H THR A 57 4.360 -7.407 -9.163 1.00 0.00 H new ATOM 0 HA THR A 57 4.244 -4.563 -8.386 1.00 0.00 H new ATOM 0 HB THR A 57 3.013 -6.029 -10.746 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.242 -4.233 -10.880 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.766 -3.771 -11.722 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.856 -3.934 -10.202 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.404 -3.057 -10.222 1.00 0.00 H new ATOM 929 N GLN A 58 2.112 -4.801 -7.116 1.00 0.00 N ATOM 930 CA GLN A 58 0.838 -4.787 -6.396 1.00 0.00 C ATOM 931 C GLN A 58 0.250 -3.385 -6.559 1.00 0.00 C ATOM 932 O GLN A 58 0.918 -2.403 -6.235 1.00 0.00 O ATOM 933 CB GLN A 58 1.064 -5.110 -4.891 1.00 0.00 C ATOM 934 CG GLN A 58 -0.160 -5.663 -4.150 1.00 0.00 C ATOM 935 CD GLN A 58 -0.439 -7.143 -4.443 1.00 0.00 C ATOM 936 OE1 GLN A 58 -1.590 -7.565 -4.491 1.00 0.00 O ATOM 937 NE2 GLN A 58 0.612 -7.957 -4.575 1.00 0.00 N ATOM 0 H GLN A 58 2.782 -4.119 -6.762 1.00 0.00 H new ATOM 0 HA GLN A 58 0.158 -5.541 -6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.875 -5.833 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.394 -4.202 -4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.013 -5.535 -3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.036 -5.076 -4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.558 -7.579 -4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.468 -8.956 -4.720 1.00 0.00 H new ATOM 946 N THR A 59 -0.977 -3.302 -7.062 1.00 0.00 N ATOM 947 CA THR A 59 -1.629 -2.029 -7.382 1.00 0.00 C ATOM 948 C THR A 59 -2.226 -1.372 -6.135 1.00 0.00 C ATOM 949 O THR A 59 -2.838 -2.057 -5.319 1.00 0.00 O ATOM 950 CB THR A 59 -2.769 -2.252 -8.421 1.00 0.00 C ATOM 951 OG1 THR A 59 -2.280 -3.052 -9.502 1.00 0.00 O ATOM 952 CG2 THR A 59 -3.303 -0.926 -8.986 1.00 0.00 C ATOM 0 H THR A 59 -1.554 -4.119 -7.262 1.00 0.00 H new ATOM 0 HA THR A 59 -0.865 -1.371 -7.796 1.00 0.00 H new ATOM 0 HB THR A 59 -3.587 -2.756 -7.906 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.997 -3.194 -10.155 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.096 -1.130 -9.706 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.699 -0.317 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.494 -0.389 -9.480 1.00 0.00 H new ATOM 960 N PHE A 60 -2.005 -0.052 -5.990 1.00 0.00 N ATOM 961 CA PHE A 60 -2.846 0.813 -5.150 1.00 0.00 C ATOM 962 C PHE A 60 -4.073 1.203 -5.979 1.00 0.00 C ATOM 963 O PHE A 60 -3.926 1.812 -7.056 1.00 0.00 O ATOM 964 CB PHE A 60 -2.101 2.098 -4.652 1.00 0.00 C ATOM 965 CG PHE A 60 -1.402 1.950 -3.294 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.076 1.383 -2.208 1.00 0.00 C ATOM 967 CD2 PHE A 60 -0.093 2.385 -3.096 1.00 0.00 C ATOM 968 CE1 PHE A 60 -1.458 1.248 -0.980 1.00 0.00 C ATOM 969 CE2 PHE A 60 0.523 2.249 -1.866 1.00 0.00 C ATOM 970 CZ PHE A 60 -0.161 1.682 -0.809 1.00 0.00 C ATOM 0 H PHE A 60 -1.240 0.441 -6.451 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.125 0.263 -4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.359 2.383 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.819 2.916 -4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.095 1.046 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.448 2.835 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.991 0.802 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.540 2.586 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.320 1.579 0.152 1.00 0.00 H new ATOM 980 N GLU A 61 -5.251 0.783 -5.485 1.00 0.00 N ATOM 981 CA GLU A 61 -6.571 1.115 -6.042 1.00 0.00 C ATOM 982 C GLU A 61 -7.658 0.605 -5.092 1.00 0.00 C ATOM 983 O GLU A 61 -7.340 0.030 -4.048 1.00 0.00 O ATOM 984 CB GLU A 61 -6.778 0.515 -7.470 1.00 0.00 C ATOM 985 CG GLU A 61 -6.861 -1.027 -7.535 1.00 0.00 C ATOM 986 CD GLU A 61 -7.214 -1.535 -8.944 1.00 0.00 C ATOM 987 OE1 GLU A 61 -8.374 -1.367 -9.368 1.00 0.00 O ATOM 988 OE2 GLU A 61 -6.336 -2.082 -9.639 1.00 0.00 O ATOM 0 H GLU A 61 -5.311 0.184 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.634 2.199 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.694 0.929 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.957 0.845 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.906 -1.453 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.611 -1.378 -6.826 1.00 0.00 H new ATOM 995 N ALA A 62 -8.928 0.835 -5.464 1.00 0.00 N ATOM 996 CA ALA A 62 -10.095 0.239 -4.791 1.00 0.00 C ATOM 997 C ALA A 62 -10.181 0.641 -3.305 1.00 0.00 C ATOM 998 O ALA A 62 -10.220 -0.217 -2.419 1.00 0.00 O ATOM 999 CB ALA A 62 -10.099 -1.297 -4.972 1.00 0.00 C ATOM 0 H ALA A 62 -9.176 1.443 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.990 0.639 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.968 -1.720 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.142 -1.538 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.190 -1.716 -4.541 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.135 1.952 -3.040 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.452 2.527 -1.713 1.00 0.00 C ATOM 1007 C LEU A 63 -11.914 3.018 -1.720 1.00 0.00 C ATOM 1008 O LEU A 63 -12.190 4.109 -2.245 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.475 3.684 -1.330 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.129 3.258 -0.660 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -8.397 2.541 0.691 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -7.257 2.400 -1.617 1.00 0.00 C ATOM 0 H LEU A 63 -9.877 2.651 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.327 1.753 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.244 4.250 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.995 4.362 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.555 4.160 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.449 2.251 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.928 3.216 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.003 1.652 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.330 2.124 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.802 1.498 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.026 2.976 -2.513 1.00 0.00 H new ATOM 1024 N PRO A 64 -12.882 2.202 -1.179 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.318 2.567 -1.156 1.00 0.00 C ATOM 1026 C PRO A 64 -14.584 3.814 -0.271 1.00 0.00 C ATOM 1027 O PRO A 64 -14.742 3.716 0.955 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.006 1.280 -0.627 1.00 0.00 C ATOM 1029 CG PRO A 64 -13.941 0.554 0.134 1.00 0.00 C ATOM 1030 CD PRO A 64 -12.649 0.861 -0.575 1.00 0.00 C ATOM 0 HA PRO A 64 -14.704 2.863 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -15.854 1.521 0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.389 0.672 -1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -13.906 0.886 1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.133 -0.519 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -11.807 0.875 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.423 0.114 -1.336 1.00 0.00 H new ATOM 1038 N SER A 65 -14.562 4.986 -0.923 1.00 0.00 N ATOM 1039 CA SER A 65 -14.752 6.288 -0.275 1.00 0.00 C ATOM 1040 C SER A 65 -16.260 6.610 -0.172 1.00 0.00 C ATOM 1041 O SER A 65 -16.986 6.454 -1.162 1.00 0.00 O ATOM 1042 CB SER A 65 -14.002 7.372 -1.079 1.00 0.00 C ATOM 1043 OG SER A 65 -14.494 7.458 -2.405 1.00 0.00 O ATOM 0 H SER A 65 -14.409 5.055 -1.929 1.00 0.00 H new ATOM 0 HA SER A 65 -14.345 6.262 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.112 8.337 -0.584 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.937 7.143 -1.098 1.00 0.00 H new ATOM 0 HG SER A 65 -13.750 7.370 -3.036 1.00 0.00 H new ATOM 1049 N PRO A 66 -16.769 7.041 1.029 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.213 7.336 1.235 1.00 0.00 C ATOM 1051 C PRO A 66 -18.719 8.522 0.376 1.00 0.00 C ATOM 1052 O PRO A 66 -18.021 9.528 0.213 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.296 7.656 2.749 1.00 0.00 C ATOM 1054 CG PRO A 66 -16.910 8.075 3.133 1.00 0.00 C ATOM 1055 CD PRO A 66 -15.990 7.245 2.282 1.00 0.00 C ATOM 0 HA PRO A 66 -18.848 6.504 0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.017 8.449 2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.617 6.785 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.758 9.139 2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.727 7.902 4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.048 7.758 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.745 6.297 2.762 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.929 8.370 -0.192 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.614 9.442 -0.937 1.00 0.00 C ATOM 1065 C VAL A 67 -21.445 10.267 0.051 1.00 0.00 C ATOM 1066 O VAL A 67 -22.414 9.757 0.605 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.549 8.858 -2.064 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.315 9.982 -2.814 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.743 7.967 -3.043 1.00 0.00 C ATOM 0 H VAL A 67 -20.460 7.500 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.865 10.067 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.298 8.231 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -22.949 9.540 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -22.934 10.535 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -21.601 10.661 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.410 7.576 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -19.957 8.560 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.294 7.138 -2.495 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.042 11.518 0.295 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.735 12.421 1.228 1.00 0.00 C ATOM 1081 C ILE A 68 -22.575 13.424 0.419 1.00 0.00 C ATOM 1082 O ILE A 68 -22.047 14.065 -0.504 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.707 13.186 2.145 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.668 12.187 2.757 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.439 13.976 3.267 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.558 12.845 3.545 1.00 0.00 C ATOM 0 H ILE A 68 -20.224 11.937 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.383 11.832 1.877 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.170 13.905 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.194 11.488 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.227 11.601 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.706 14.494 3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -22.115 14.704 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -22.010 13.284 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.885 12.081 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -18.003 13.522 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.985 13.407 4.375 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.871 13.553 0.762 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.806 14.422 0.034 1.00 0.00 C ATOM 1100 C ILE A 69 -24.521 15.899 0.375 1.00 0.00 C ATOM 1101 O ILE A 69 -24.357 16.258 1.548 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.307 14.057 0.346 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.612 12.556 0.012 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -27.286 14.992 -0.410 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -26.442 12.171 -1.459 1.00 0.00 C ATOM 0 H ILE A 69 -24.294 13.059 1.548 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.653 14.265 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.458 14.203 1.416 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.958 11.926 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.635 12.333 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.312 14.713 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -27.111 16.024 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.124 14.897 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.676 11.114 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.116 12.769 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.413 12.355 -1.767 1.00 0.00 H new ATOM 1117 N GLY A 70 -24.451 16.729 -0.675 1.00 0.00 N ATOM 1118 CA GLY A 70 -24.068 18.127 -0.552 1.00 0.00 C ATOM 1119 C GLY A 70 -22.572 18.304 -0.315 1.00 0.00 C ATOM 1120 O GLY A 70 -22.136 19.356 0.145 1.00 0.00 O ATOM 0 H GLY A 70 -24.660 16.442 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -24.354 18.660 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.619 18.580 0.272 1.00 0.00 H new ATOM 1124 N TYR A 71 -21.781 17.268 -0.647 1.00 0.00 N ATOM 1125 CA TYR A 71 -20.305 17.303 -0.593 1.00 0.00 C ATOM 1126 C TYR A 71 -19.743 16.488 -1.755 1.00 0.00 C ATOM 1127 O TYR A 71 -20.436 15.633 -2.320 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.761 16.770 0.761 1.00 0.00 C ATOM 1129 CG TYR A 71 -20.077 17.696 1.942 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -19.297 18.827 2.195 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -21.168 17.458 2.781 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -19.590 19.677 3.240 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -21.458 18.303 3.829 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.665 19.410 4.055 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.960 20.257 5.095 1.00 0.00 O ATOM 0 H TYR A 71 -22.151 16.372 -0.964 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.982 18.340 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.187 15.786 0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.681 16.641 0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -18.449 19.039 1.560 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.795 16.596 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -18.978 20.549 3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -22.302 18.100 4.471 1.00 0.00 H new ATOM 0 HH TYR A 71 -21.750 19.926 5.572 1.00 0.00 H new ATOM 1145 N THR A 72 -18.498 16.776 -2.122 1.00 0.00 N ATOM 1146 CA THR A 72 -17.798 16.099 -3.210 1.00 0.00 C ATOM 1147 C THR A 72 -16.308 15.988 -2.863 1.00 0.00 C ATOM 1148 O THR A 72 -15.640 17.014 -2.686 1.00 0.00 O ATOM 1149 CB THR A 72 -17.968 16.881 -4.562 1.00 0.00 C ATOM 1150 OG1 THR A 72 -19.362 17.039 -4.867 1.00 0.00 O ATOM 1151 CG2 THR A 72 -17.275 16.175 -5.746 1.00 0.00 C ATOM 0 H THR A 72 -17.938 17.497 -1.666 1.00 0.00 H new ATOM 0 HA THR A 72 -18.227 15.105 -3.334 1.00 0.00 H new ATOM 0 HB THR A 72 -17.493 17.852 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.459 17.529 -5.710 1.00 0.00 H new ATOM 0 HG21 THR A 72 -17.424 16.758 -6.655 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.208 16.086 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 72 -17.703 15.181 -5.878 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.814 14.744 -2.729 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.380 14.462 -2.606 1.00 0.00 C ATOM 1161 C ALA A 73 -13.660 14.895 -3.888 1.00 0.00 C ATOM 1162 O ALA A 73 -14.146 14.628 -4.995 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.136 12.969 -2.330 1.00 0.00 C ATOM 0 H ALA A 73 -16.400 13.910 -2.703 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.982 15.027 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.065 12.785 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.630 12.685 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.540 12.376 -3.151 1.00 0.00 H new ATOM 1169 N ASP A 74 -12.516 15.568 -3.722 1.00 0.00 N ATOM 1170 CA ASP A 74 -11.647 15.993 -4.843 1.00 0.00 C ATOM 1171 C ASP A 74 -10.914 14.786 -5.453 1.00 0.00 C ATOM 1172 O ASP A 74 -10.346 14.874 -6.544 1.00 0.00 O ATOM 1173 CB ASP A 74 -10.645 17.070 -4.351 1.00 0.00 C ATOM 1174 CG ASP A 74 -11.321 18.433 -4.128 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -12.001 18.620 -3.098 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -11.220 19.312 -5.011 1.00 0.00 O ATOM 0 H ASP A 74 -12.159 15.838 -2.805 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.266 16.429 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.185 16.738 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.843 17.179 -5.082 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.932 13.663 -4.713 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.429 12.368 -5.163 1.00 0.00 C ATOM 1183 C LYS A 75 -11.294 11.251 -4.520 1.00 0.00 C ATOM 1184 O LYS A 75 -10.970 10.737 -3.443 1.00 0.00 O ATOM 1185 CB LYS A 75 -8.897 12.197 -4.858 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.470 12.501 -3.394 1.00 0.00 C ATOM 1187 CD LYS A 75 -8.213 13.999 -3.099 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.863 14.491 -3.640 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.731 13.911 -2.881 1.00 0.00 N ATOM 0 H LYS A 75 -11.307 13.638 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.516 12.299 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.608 11.174 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.336 12.851 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.246 12.139 -2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.564 11.939 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.014 14.593 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.249 14.164 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.772 14.223 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.821 15.579 -3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.072 14.668 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.091 13.440 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.234 13.217 -3.475 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.469 10.899 -5.148 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.290 9.738 -4.709 1.00 0.00 C ATOM 1205 C PRO A 76 -12.651 8.390 -5.137 1.00 0.00 C ATOM 1206 O PRO A 76 -13.131 7.313 -4.775 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.645 9.994 -5.412 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.285 10.734 -6.664 1.00 0.00 C ATOM 1209 CD PRO A 76 -13.101 11.610 -6.305 1.00 0.00 C ATOM 0 HA PRO A 76 -13.383 9.657 -3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.158 9.059 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.314 10.581 -4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.029 10.042 -7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.123 11.335 -7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.408 11.709 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.416 12.617 -6.032 1.00 0.00 H new ATOM 1217 N MET A 77 -11.561 8.477 -5.914 1.00 0.00 N ATOM 1218 CA MET A 77 -10.737 7.337 -6.308 1.00 0.00 C ATOM 1219 C MET A 77 -9.331 7.532 -5.721 1.00 0.00 C ATOM 1220 O MET A 77 -8.598 8.440 -6.139 1.00 0.00 O ATOM 1221 CB MET A 77 -10.681 7.221 -7.855 1.00 0.00 C ATOM 1222 CG MET A 77 -9.824 6.058 -8.364 1.00 0.00 C ATOM 1223 SD MET A 77 -10.457 4.454 -7.832 1.00 0.00 S ATOM 1224 CE MET A 77 -9.147 3.363 -8.378 1.00 0.00 C ATOM 0 H MET A 77 -11.225 9.363 -6.291 1.00 0.00 H new ATOM 0 HA MET A 77 -11.167 6.412 -5.925 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.695 7.105 -8.237 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.291 8.153 -8.265 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.786 6.088 -9.453 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.802 6.179 -8.006 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.579 2.436 -8.754 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.578 3.847 -9.172 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.485 3.142 -7.541 1.00 0.00 H new ATOM 1234 N VAL A 78 -8.982 6.713 -4.717 1.00 0.00 N ATOM 1235 CA VAL A 78 -7.645 6.708 -4.104 1.00 0.00 C ATOM 1236 C VAL A 78 -6.841 5.527 -4.672 1.00 0.00 C ATOM 1237 O VAL A 78 -7.347 4.394 -4.730 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.689 6.613 -2.531 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.265 6.731 -1.931 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -8.659 7.660 -1.916 1.00 0.00 C ATOM 0 H VAL A 78 -9.622 6.033 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.169 7.658 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.081 5.630 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.321 6.663 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.641 5.923 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.830 7.690 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.660 7.561 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.332 8.663 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.666 7.491 -2.297 1.00 0.00 H new ATOM 1250 N GLY A 79 -5.588 5.811 -5.069 1.00 0.00 N ATOM 1251 CA GLY A 79 -4.722 4.832 -5.705 1.00 0.00 C ATOM 1252 C GLY A 79 -5.109 4.604 -7.168 1.00 0.00 C ATOM 1253 O GLY A 79 -6.003 3.817 -7.444 1.00 0.00 O ATOM 0 H GLY A 79 -5.158 6.728 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.687 5.171 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.778 3.889 -5.162 1.00 0.00 H new ATOM 1257 N PRO A 80 -4.508 5.330 -8.141 1.00 0.00 N ATOM 1258 CA PRO A 80 -4.717 5.079 -9.572 1.00 0.00 C ATOM 1259 C PRO A 80 -3.523 4.364 -10.239 1.00 0.00 C ATOM 1260 O PRO A 80 -3.405 4.392 -11.474 1.00 0.00 O ATOM 1261 CB PRO A 80 -4.872 6.528 -10.078 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.900 7.330 -9.240 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.646 6.524 -7.963 1.00 0.00 C ATOM 0 HA PRO A 80 -5.553 4.416 -9.792 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.637 6.605 -11.140 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.894 6.885 -9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.970 7.498 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.312 8.311 -9.002 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.596 6.251 -7.861 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.917 7.087 -7.070 1.00 0.00 H new ATOM 1271 N ASP A 81 -2.667 3.670 -9.442 1.00 0.00 N ATOM 1272 CA ASP A 81 -1.341 3.228 -9.951 1.00 0.00 C ATOM 1273 C ASP A 81 -0.834 1.910 -9.326 1.00 0.00 C ATOM 1274 O ASP A 81 -1.114 1.593 -8.168 1.00 0.00 O ATOM 1275 CB ASP A 81 -0.287 4.352 -9.743 1.00 0.00 C ATOM 1276 CG ASP A 81 0.141 4.522 -8.276 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -0.688 4.948 -7.444 1.00 0.00 O ATOM 1278 OD2 ASP A 81 1.312 4.222 -7.949 1.00 0.00 O ATOM 0 H ASP A 81 -2.862 3.411 -8.475 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.479 3.027 -11.013 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.593 4.132 -10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.695 5.295 -10.106 1.00 0.00 H new ATOM 1283 N GLU A 82 -0.083 1.161 -10.153 1.00 0.00 N ATOM 1284 CA GLU A 82 0.573 -0.107 -9.767 1.00 0.00 C ATOM 1285 C GLU A 82 1.969 0.147 -9.163 1.00 0.00 C ATOM 1286 O GLU A 82 2.779 0.848 -9.769 1.00 0.00 O ATOM 1287 CB GLU A 82 0.687 -1.049 -10.986 1.00 0.00 C ATOM 1288 CG GLU A 82 -0.641 -1.322 -11.711 1.00 0.00 C ATOM 1289 CD GLU A 82 -0.545 -2.441 -12.754 1.00 0.00 C ATOM 1290 OE1 GLU A 82 0.219 -2.297 -13.732 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -1.221 -3.477 -12.599 1.00 0.00 O ATOM 0 H GLU A 82 0.090 1.421 -11.124 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.046 -0.583 -9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.392 -0.618 -11.697 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.108 -1.999 -10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.401 -1.585 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.974 -0.407 -12.200 1.00 0.00 H new ATOM 1298 N VAL A 83 2.238 -0.445 -7.984 1.00 0.00 N ATOM 1299 CA VAL A 83 3.515 -0.295 -7.255 1.00 0.00 C ATOM 1300 C VAL A 83 4.384 -1.557 -7.446 1.00 0.00 C ATOM 1301 O VAL A 83 4.058 -2.617 -6.909 1.00 0.00 O ATOM 1302 CB VAL A 83 3.258 -0.053 -5.716 1.00 0.00 C ATOM 1303 CG1 VAL A 83 4.584 0.166 -4.951 1.00 0.00 C ATOM 1304 CG2 VAL A 83 2.274 1.127 -5.505 1.00 0.00 C ATOM 0 H VAL A 83 1.569 -1.047 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 83 4.040 0.571 -7.660 1.00 0.00 H new ATOM 0 HB VAL A 83 2.796 -0.950 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.372 0.330 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.218 -0.714 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.099 1.037 -5.357 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.110 1.278 -4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.695 2.034 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.324 0.900 -5.990 1.00 0.00 H new ATOM 1314 N THR A 84 5.475 -1.444 -8.219 1.00 0.00 N ATOM 1315 CA THR A 84 6.432 -2.539 -8.433 1.00 0.00 C ATOM 1316 C THR A 84 7.582 -2.462 -7.411 1.00 0.00 C ATOM 1317 O THR A 84 8.502 -1.645 -7.565 1.00 0.00 O ATOM 1318 CB THR A 84 7.021 -2.503 -9.880 1.00 0.00 C ATOM 1319 OG1 THR A 84 5.947 -2.468 -10.833 1.00 0.00 O ATOM 1320 CG2 THR A 84 7.931 -3.722 -10.161 1.00 0.00 C ATOM 0 H THR A 84 5.719 -0.587 -8.715 1.00 0.00 H new ATOM 0 HA THR A 84 5.891 -3.476 -8.299 1.00 0.00 H new ATOM 0 HB THR A 84 7.633 -1.606 -9.972 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.316 -2.444 -11.741 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.320 -3.659 -11.177 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.761 -3.727 -9.454 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.354 -4.640 -10.050 1.00 0.00 H new ATOM 1328 N VAL A 85 7.513 -3.299 -6.369 1.00 0.00 N ATOM 1329 CA VAL A 85 8.600 -3.451 -5.390 1.00 0.00 C ATOM 1330 C VAL A 85 9.475 -4.646 -5.801 1.00 0.00 C ATOM 1331 O VAL A 85 8.994 -5.773 -5.886 1.00 0.00 O ATOM 1332 CB VAL A 85 8.042 -3.619 -3.915 1.00 0.00 C ATOM 1333 CG1 VAL A 85 9.139 -4.062 -2.911 1.00 0.00 C ATOM 1334 CG2 VAL A 85 7.366 -2.302 -3.446 1.00 0.00 C ATOM 0 H VAL A 85 6.704 -3.890 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 85 9.206 -2.545 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 85 7.299 -4.416 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.703 -4.162 -1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.553 -5.021 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.932 -3.315 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.987 -2.429 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.096 -1.493 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.540 -2.059 -4.115 1.00 0.00 H new ATOM 1344 N ASP A 86 10.745 -4.352 -6.115 1.00 0.00 N ATOM 1345 CA ASP A 86 11.774 -5.359 -6.417 1.00 0.00 C ATOM 1346 C ASP A 86 12.532 -5.679 -5.117 1.00 0.00 C ATOM 1347 O ASP A 86 12.463 -4.917 -4.160 1.00 0.00 O ATOM 1348 CB ASP A 86 12.753 -4.798 -7.496 1.00 0.00 C ATOM 1349 CG ASP A 86 13.689 -5.853 -8.146 1.00 0.00 C ATOM 1350 OD1 ASP A 86 14.557 -6.421 -7.462 1.00 0.00 O ATOM 1351 OD2 ASP A 86 13.579 -6.106 -9.359 1.00 0.00 O ATOM 0 H ASP A 86 11.092 -3.394 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 86 11.317 -6.268 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.168 -4.320 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.367 -4.022 -7.039 1.00 0.00 H new ATOM 1356 N SER A 87 13.270 -6.792 -5.110 1.00 0.00 N ATOM 1357 CA SER A 87 14.198 -7.170 -4.021 1.00 0.00 C ATOM 1358 C SER A 87 15.269 -6.077 -3.767 1.00 0.00 C ATOM 1359 O SER A 87 15.771 -5.923 -2.646 1.00 0.00 O ATOM 1360 CB SER A 87 14.872 -8.502 -4.375 1.00 0.00 C ATOM 1361 OG SER A 87 13.908 -9.515 -4.547 1.00 0.00 O ATOM 0 H SER A 87 13.245 -7.472 -5.870 1.00 0.00 H new ATOM 0 HA SER A 87 13.622 -7.275 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.456 -8.389 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.568 -8.785 -3.585 1.00 0.00 H new ATOM 0 HG SER A 87 14.351 -10.345 -4.820 1.00 0.00 H new ATOM 1367 N LYS A 88 15.585 -5.316 -4.822 1.00 0.00 N ATOM 1368 CA LYS A 88 16.577 -4.225 -4.789 1.00 0.00 C ATOM 1369 C LYS A 88 16.064 -3.037 -3.956 1.00 0.00 C ATOM 1370 O LYS A 88 16.864 -2.312 -3.358 1.00 0.00 O ATOM 1371 CB LYS A 88 16.902 -3.769 -6.237 1.00 0.00 C ATOM 1372 CG LYS A 88 17.396 -4.903 -7.159 1.00 0.00 C ATOM 1373 CD LYS A 88 17.416 -4.510 -8.658 1.00 0.00 C ATOM 1374 CE LYS A 88 17.645 -5.729 -9.574 1.00 0.00 C ATOM 1375 NZ LYS A 88 16.597 -6.781 -9.390 1.00 0.00 N ATOM 0 H LYS A 88 15.154 -5.440 -5.738 1.00 0.00 H new ATOM 0 HA LYS A 88 17.486 -4.597 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.009 -3.322 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.663 -2.989 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.400 -5.198 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.754 -5.774 -7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.472 -4.033 -8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.203 -3.775 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.651 -5.403 -10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.626 -6.157 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.050 -7.681 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.945 -6.492 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.067 -6.902 -10.277 1.00 0.00 H new ATOM 1389 N ASN A 89 14.731 -2.830 -3.941 1.00 0.00 N ATOM 1390 CA ASN A 89 14.091 -1.749 -3.151 1.00 0.00 C ATOM 1391 C ASN A 89 13.177 -2.315 -2.045 1.00 0.00 C ATOM 1392 O ASN A 89 12.460 -1.552 -1.393 1.00 0.00 O ATOM 1393 CB ASN A 89 13.316 -0.773 -4.089 1.00 0.00 C ATOM 1394 CG ASN A 89 12.116 -1.380 -4.847 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.426 -2.254 -4.361 1.00 0.00 O ATOM 1396 ND2 ASN A 89 11.859 -0.902 -6.054 1.00 0.00 N ATOM 0 H ASN A 89 14.070 -3.400 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 89 14.880 -1.186 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.958 0.066 -3.493 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.016 -0.369 -4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.072 -1.267 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.448 -0.168 -6.448 1.00 0.00 H new ATOM 1403 N PHE A 90 13.234 -3.650 -1.834 1.00 0.00 N ATOM 1404 CA PHE A 90 12.327 -4.382 -0.914 1.00 0.00 C ATOM 1405 C PHE A 90 12.472 -3.916 0.533 1.00 0.00 C ATOM 1406 O PHE A 90 11.493 -3.885 1.279 1.00 0.00 O ATOM 1407 CB PHE A 90 12.585 -5.910 -1.005 1.00 0.00 C ATOM 1408 CG PHE A 90 11.647 -6.781 -0.157 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.354 -7.062 -0.590 1.00 0.00 C ATOM 1410 CD2 PHE A 90 12.060 -7.319 1.064 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.511 -7.856 0.159 1.00 0.00 C ATOM 1412 CE2 PHE A 90 11.212 -8.111 1.813 1.00 0.00 C ATOM 1413 CZ PHE A 90 9.937 -8.378 1.364 1.00 0.00 C ATOM 0 H PHE A 90 13.912 -4.254 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 90 11.307 -4.164 -1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.496 -6.216 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.613 -6.108 -0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.006 -6.652 -1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.056 -7.113 1.427 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.515 -8.070 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.549 -8.522 2.753 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.273 -8.994 1.953 1.00 0.00 H new ATOM 1423 N LEU A 91 13.704 -3.541 0.912 1.00 0.00 N ATOM 1424 CA LEU A 91 14.020 -3.098 2.282 1.00 0.00 C ATOM 1425 C LEU A 91 13.418 -1.707 2.546 1.00 0.00 C ATOM 1426 O LEU A 91 13.272 -1.302 3.699 1.00 0.00 O ATOM 1427 CB LEU A 91 15.550 -3.123 2.567 1.00 0.00 C ATOM 1428 CG LEU A 91 16.248 -4.535 2.537 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.479 -5.567 3.415 1.00 0.00 C ATOM 1430 CD2 LEU A 91 16.459 -5.061 1.090 1.00 0.00 C ATOM 0 H LEU A 91 14.506 -3.536 0.282 1.00 0.00 H new ATOM 0 HA LEU A 91 13.565 -3.806 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 91 16.044 -2.483 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.722 -2.678 3.547 1.00 0.00 H new ATOM 0 HG LEU A 91 17.240 -4.405 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.987 -6.531 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.450 -5.217 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.461 -5.676 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.943 -6.037 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.494 -5.152 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 91 17.088 -4.363 0.537 1.00 0.00 H new ATOM 1442 N ASP A 92 13.070 -0.987 1.468 1.00 0.00 N ATOM 1443 CA ASP A 92 12.304 0.265 1.549 1.00 0.00 C ATOM 1444 C ASP A 92 10.809 -0.026 1.335 1.00 0.00 C ATOM 1445 O ASP A 92 10.430 -1.038 0.730 1.00 0.00 O ATOM 1446 CB ASP A 92 12.793 1.308 0.509 1.00 0.00 C ATOM 1447 CG ASP A 92 14.253 1.726 0.704 1.00 0.00 C ATOM 1448 OD1 ASP A 92 14.545 2.509 1.639 1.00 0.00 O ATOM 1449 OD2 ASP A 92 15.124 1.268 -0.066 1.00 0.00 O ATOM 0 H ASP A 92 13.312 -1.258 0.515 1.00 0.00 H new ATOM 0 HA ASP A 92 12.460 0.688 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.672 0.895 -0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.159 2.193 0.568 1.00 0.00 H new ATOM 1454 N LYS A 93 9.970 0.876 1.850 1.00 0.00 N ATOM 1455 CA LYS A 93 8.507 0.806 1.755 1.00 0.00 C ATOM 1456 C LYS A 93 7.976 2.223 1.541 1.00 0.00 C ATOM 1457 O LYS A 93 8.447 3.176 2.169 1.00 0.00 O ATOM 1458 CB LYS A 93 7.916 0.171 3.043 1.00 0.00 C ATOM 1459 CG LYS A 93 8.411 0.827 4.353 1.00 0.00 C ATOM 1460 CD LYS A 93 7.915 0.100 5.617 1.00 0.00 C ATOM 1461 CE LYS A 93 8.451 0.747 6.906 1.00 0.00 C ATOM 1462 NZ LYS A 93 8.014 2.159 7.054 1.00 0.00 N ATOM 0 H LYS A 93 10.297 1.698 2.358 1.00 0.00 H new ATOM 0 HA LYS A 93 8.208 0.177 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.829 0.239 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.169 -0.889 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.501 0.844 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.076 1.864 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.825 0.107 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.226 -0.944 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.110 0.172 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.540 0.705 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.841 2.787 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.343 2.396 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.552 2.284 7.977 1.00 0.00 H new ATOM 1476 N GLN A 94 6.993 2.353 0.663 1.00 0.00 N ATOM 1477 CA GLN A 94 6.441 3.648 0.229 1.00 0.00 C ATOM 1478 C GLN A 94 5.082 3.882 0.901 1.00 0.00 C ATOM 1479 O GLN A 94 4.099 4.284 0.258 1.00 0.00 O ATOM 1480 CB GLN A 94 6.372 3.727 -1.337 1.00 0.00 C ATOM 1481 CG GLN A 94 5.764 2.501 -2.069 1.00 0.00 C ATOM 1482 CD GLN A 94 6.735 1.322 -2.222 1.00 0.00 C ATOM 1483 OE1 GLN A 94 6.807 0.431 -1.389 1.00 0.00 O ATOM 1484 NE2 GLN A 94 7.508 1.327 -3.280 1.00 0.00 N ATOM 0 H GLN A 94 6.542 1.553 0.218 1.00 0.00 H new ATOM 0 HA GLN A 94 7.103 4.454 0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.791 4.608 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 94 7.382 3.883 -1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.883 2.164 -1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.427 2.811 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.432 2.080 -3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.186 0.578 -3.420 1.00 0.00 H new ATOM 1493 N ASN A 95 5.039 3.610 2.224 1.00 0.00 N ATOM 1494 CA ASN A 95 3.848 3.848 3.055 1.00 0.00 C ATOM 1495 C ASN A 95 3.560 5.359 3.118 1.00 0.00 C ATOM 1496 O ASN A 95 4.428 6.156 3.493 1.00 0.00 O ATOM 1497 CB ASN A 95 4.016 3.234 4.472 1.00 0.00 C ATOM 1498 CG ASN A 95 5.193 3.797 5.279 1.00 0.00 C ATOM 1499 OD1 ASN A 95 6.319 3.325 5.153 1.00 0.00 O ATOM 1500 ND2 ASN A 95 4.941 4.800 6.113 1.00 0.00 N ATOM 0 H ASN A 95 5.828 3.221 2.740 1.00 0.00 H new ATOM 0 HA ASN A 95 2.992 3.350 2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.097 3.396 5.035 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.143 2.156 4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.695 5.200 6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.994 5.170 6.195 1.00 0.00 H new ATOM 1507 N ARG A 96 2.360 5.743 2.681 1.00 0.00 N ATOM 1508 CA ARG A 96 1.941 7.148 2.591 1.00 0.00 C ATOM 1509 C ARG A 96 0.606 7.344 3.327 1.00 0.00 C ATOM 1510 O ARG A 96 0.017 6.395 3.864 1.00 0.00 O ATOM 1511 CB ARG A 96 1.821 7.575 1.094 1.00 0.00 C ATOM 1512 CG ARG A 96 3.125 7.516 0.252 1.00 0.00 C ATOM 1513 CD ARG A 96 4.148 8.602 0.644 1.00 0.00 C ATOM 1514 NE ARG A 96 3.617 9.968 0.424 1.00 0.00 N ATOM 1515 CZ ARG A 96 3.722 10.679 -0.717 1.00 0.00 C ATOM 1516 NH1 ARG A 96 4.345 10.178 -1.779 1.00 0.00 N ATOM 1517 NH2 ARG A 96 3.183 11.889 -0.786 1.00 0.00 N ATOM 0 H ARG A 96 1.643 5.084 2.376 1.00 0.00 H new ATOM 0 HA ARG A 96 2.691 7.779 3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.077 6.938 0.616 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.438 8.595 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.583 6.534 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.874 7.625 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.420 8.483 1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.060 8.469 0.062 1.00 0.00 H new ATOM 0 HE ARG A 96 3.129 10.409 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.752 9.244 -1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.416 10.728 -2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.693 12.276 0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.258 12.433 -1.646 1.00 0.00 H new ATOM 1531 N GLU A 97 0.148 8.596 3.360 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.128 8.985 3.963 1.00 0.00 C ATOM 1533 C GLU A 97 -1.856 9.841 2.932 1.00 0.00 C ATOM 1534 O GLU A 97 -1.312 10.858 2.480 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.865 9.754 5.295 1.00 0.00 C ATOM 1536 CG GLU A 97 -2.095 9.990 6.205 1.00 0.00 C ATOM 1537 CD GLU A 97 -3.095 11.031 5.673 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -2.759 12.226 5.664 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -4.216 10.654 5.264 1.00 0.00 O ATOM 0 H GLU A 97 0.662 9.382 2.962 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.744 8.123 4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.118 9.203 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.429 10.723 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.616 9.042 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.748 10.308 7.188 1.00 0.00 H new ATOM 1546 N GLU A 98 -3.074 9.424 2.540 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.854 10.130 1.517 1.00 0.00 C ATOM 1548 C GLU A 98 -5.112 10.732 2.158 1.00 0.00 C ATOM 1549 O GLU A 98 -6.026 10.009 2.534 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.237 9.180 0.331 1.00 0.00 C ATOM 1551 CG GLU A 98 -4.202 9.855 -1.063 1.00 0.00 C ATOM 1552 CD GLU A 98 -4.917 11.227 -1.132 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -6.160 11.269 -1.233 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -4.231 12.275 -1.086 1.00 0.00 O ATOM 0 H GLU A 98 -3.537 8.598 2.920 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.240 10.931 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.555 8.330 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.238 8.785 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.162 9.986 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.661 9.184 -1.789 1.00 0.00 H new ATOM 1561 N THR A 99 -5.154 12.059 2.255 1.00 0.00 N ATOM 1562 CA THR A 99 -6.328 12.788 2.742 1.00 0.00 C ATOM 1563 C THR A 99 -7.148 13.280 1.556 1.00 0.00 C ATOM 1564 O THR A 99 -6.622 14.004 0.701 1.00 0.00 O ATOM 1565 CB THR A 99 -5.912 13.995 3.642 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.180 13.510 4.762 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.118 14.806 4.158 1.00 0.00 C ATOM 0 H THR A 99 -4.373 12.663 1.998 1.00 0.00 H new ATOM 0 HA THR A 99 -6.928 12.110 3.348 1.00 0.00 H new ATOM 0 HB THR A 99 -5.308 14.660 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.330 13.129 4.457 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.764 15.630 4.777 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.679 15.202 3.312 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.765 14.159 4.751 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.429 12.889 1.505 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.361 13.382 0.482 1.00 0.00 C ATOM 1577 C VAL A 100 -10.205 14.512 1.109 1.00 0.00 C ATOM 1578 O VAL A 100 -10.616 14.412 2.282 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.269 12.225 -0.138 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.508 10.875 -0.211 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.627 12.065 0.577 1.00 0.00 C ATOM 0 H VAL A 100 -8.844 12.230 2.163 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.792 13.770 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.496 12.540 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.159 10.113 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.623 10.989 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.206 10.573 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.194 11.262 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.459 11.823 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.188 12.997 0.504 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.404 15.596 0.350 1.00 0.00 N ATOM 1592 CA ILE A 101 -11.193 16.755 0.805 1.00 0.00 C ATOM 1593 C ILE A 101 -12.604 16.701 0.208 1.00 0.00 C ATOM 1594 O ILE A 101 -12.763 16.719 -1.013 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.479 18.112 0.434 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -9.065 18.203 1.116 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -11.353 19.339 0.790 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -9.064 18.075 2.637 1.00 0.00 C ATOM 0 H ILE A 101 -10.027 15.698 -0.592 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.272 16.710 1.891 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.337 18.124 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.429 17.420 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.612 19.157 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.825 20.253 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -12.294 19.287 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.557 19.342 1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.042 18.151 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.667 18.873 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.482 17.109 2.921 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.618 16.619 1.081 1.00 0.00 N ATOM 1611 CA TYR A 102 -15.022 16.727 0.696 1.00 0.00 C ATOM 1612 C TYR A 102 -15.405 18.196 0.740 1.00 0.00 C ATOM 1613 O TYR A 102 -15.739 18.738 1.801 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.935 15.895 1.634 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.765 14.381 1.495 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -16.531 13.655 0.581 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -14.845 13.679 2.275 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -16.381 12.291 0.450 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.697 12.320 2.143 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.462 11.628 1.234 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.301 10.270 1.106 1.00 0.00 O ATOM 0 H TYR A 102 -13.480 16.475 2.081 1.00 0.00 H new ATOM 0 HA TYR A 102 -15.157 16.327 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.731 16.179 2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.975 16.152 1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -17.253 14.171 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.240 14.213 2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -16.981 11.745 -0.263 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -13.979 11.794 2.754 1.00 0.00 H new ATOM 0 HH TYR A 102 -14.490 9.991 1.580 1.00 0.00 H new ATOM 1631 N SER A 103 -15.336 18.837 -0.416 1.00 0.00 N ATOM 1632 CA SER A 103 -15.672 20.238 -0.567 1.00 0.00 C ATOM 1633 C SER A 103 -17.176 20.334 -0.815 1.00 0.00 C ATOM 1634 O SER A 103 -17.736 19.490 -1.522 1.00 0.00 O ATOM 1635 CB SER A 103 -14.847 20.833 -1.724 1.00 0.00 C ATOM 1636 OG SER A 103 -14.863 19.979 -2.850 1.00 0.00 O ATOM 0 H SER A 103 -15.041 18.391 -1.284 1.00 0.00 H new ATOM 0 HA SER A 103 -15.432 20.811 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 103 -15.249 21.809 -1.998 1.00 0.00 H new ATOM 0 HB3 SER A 103 -13.819 20.992 -1.398 1.00 0.00 H new ATOM 0 HG SER A 103 -13.993 19.537 -2.938 1.00 0.00 H new ATOM 1642 N ALA A 104 -17.816 21.331 -0.188 1.00 0.00 N ATOM 1643 CA ALA A 104 -19.267 21.561 -0.265 1.00 0.00 C ATOM 1644 C ALA A 104 -19.727 21.620 -1.722 1.00 0.00 C ATOM 1645 O ALA A 104 -19.328 22.511 -2.460 1.00 0.00 O ATOM 1646 CB ALA A 104 -19.639 22.846 0.488 1.00 0.00 C ATOM 0 H ALA A 104 -17.332 22.012 0.397 1.00 0.00 H new ATOM 0 HA ALA A 104 -19.781 20.726 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -20.715 23.006 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -19.347 22.752 1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -19.119 23.693 0.041 1.00 0.00 H new ATOM 1652 N ASN A 105 -20.540 20.626 -2.106 1.00 0.00 N ATOM 1653 CA ASN A 105 -21.061 20.463 -3.471 1.00 0.00 C ATOM 1654 C ASN A 105 -21.936 21.667 -3.839 1.00 0.00 C ATOM 1655 O ASN A 105 -22.579 22.262 -2.960 1.00 0.00 O ATOM 1656 CB ASN A 105 -21.896 19.152 -3.549 1.00 0.00 C ATOM 1657 CG ASN A 105 -22.156 18.597 -4.937 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -22.249 19.323 -5.905 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -22.295 17.287 -5.035 1.00 0.00 N ATOM 0 H ASN A 105 -20.860 19.900 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.231 20.404 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -21.384 18.386 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -22.857 19.331 -3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -22.486 16.861 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -22.212 16.702 -4.204 1.00 0.00 H new ATOM 1666 N THR A 106 -21.959 21.991 -5.136 1.00 0.00 N ATOM 1667 CA THR A 106 -22.823 23.030 -5.725 1.00 0.00 C ATOM 1668 C THR A 106 -24.285 22.885 -5.251 1.00 0.00 C ATOM 1669 O THR A 106 -24.965 23.882 -5.048 1.00 0.00 O ATOM 1670 CB THR A 106 -22.766 22.982 -7.297 1.00 0.00 C ATOM 1671 OG1 THR A 106 -23.641 23.974 -7.870 1.00 0.00 O ATOM 1672 CG2 THR A 106 -23.137 21.580 -7.833 1.00 0.00 C ATOM 0 H THR A 106 -21.365 21.530 -5.825 1.00 0.00 H new ATOM 0 HA THR A 106 -22.445 23.994 -5.385 1.00 0.00 H new ATOM 0 HB THR A 106 -21.740 23.201 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 106 -23.590 23.929 -8.848 1.00 0.00 H new ATOM 0 HG21 THR A 106 -23.088 21.582 -8.922 1.00 0.00 H new ATOM 0 HG22 THR A 106 -22.437 20.843 -7.439 1.00 0.00 H new ATOM 0 HG23 THR A 106 -24.148 21.325 -7.516 1.00 0.00 H new ATOM 1680 N ILE A 107 -24.705 21.618 -5.023 1.00 0.00 N ATOM 1681 CA ILE A 107 -26.049 21.255 -4.543 1.00 0.00 C ATOM 1682 C ILE A 107 -26.405 22.001 -3.236 1.00 0.00 C ATOM 1683 O ILE A 107 -27.500 22.562 -3.112 1.00 0.00 O ATOM 1684 CB ILE A 107 -26.146 19.697 -4.298 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -25.726 18.890 -5.574 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -27.557 19.280 -3.806 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -26.499 19.219 -6.846 1.00 0.00 C ATOM 0 H ILE A 107 -24.103 20.808 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 107 -26.760 21.549 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 107 -25.440 19.451 -3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -24.666 19.064 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -25.843 17.827 -5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -27.584 18.202 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -27.781 19.789 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -28.300 19.556 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -26.128 18.604 -7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -27.559 19.016 -6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -26.364 20.272 -7.092 1.00 0.00 H new ATOM 1699 N THR A 108 -25.460 22.003 -2.279 1.00 0.00 N ATOM 1700 CA THR A 108 -25.672 22.594 -0.942 1.00 0.00 C ATOM 1701 C THR A 108 -25.285 24.088 -0.929 1.00 0.00 C ATOM 1702 O THR A 108 -25.786 24.852 -0.098 1.00 0.00 O ATOM 1703 CB THR A 108 -24.882 21.804 0.166 1.00 0.00 C ATOM 1704 OG1 THR A 108 -25.459 22.035 1.464 1.00 0.00 O ATOM 1705 CG2 THR A 108 -23.380 22.175 0.212 1.00 0.00 C ATOM 0 H THR A 108 -24.533 21.598 -2.407 1.00 0.00 H new ATOM 0 HA THR A 108 -26.735 22.516 -0.714 1.00 0.00 H new ATOM 0 HB THR A 108 -24.961 20.750 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 108 -24.955 21.535 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 108 -22.887 21.599 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 108 -22.920 21.949 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 108 -23.274 23.239 0.423 1.00 0.00 H new ATOM 1713 N GLN A 109 -24.386 24.494 -1.849 1.00 0.00 N ATOM 1714 CA GLN A 109 -23.890 25.884 -1.927 1.00 0.00 C ATOM 1715 C GLN A 109 -24.975 26.830 -2.457 1.00 0.00 C ATOM 1716 O GLN A 109 -25.229 27.890 -1.875 1.00 0.00 O ATOM 1717 CB GLN A 109 -22.625 25.981 -2.824 1.00 0.00 C ATOM 1718 CG GLN A 109 -21.373 25.290 -2.255 1.00 0.00 C ATOM 1719 CD GLN A 109 -20.147 25.402 -3.172 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -20.267 25.466 -4.392 1.00 0.00 O ATOM 1721 NE2 GLN A 109 -18.961 25.408 -2.589 1.00 0.00 N ATOM 0 H GLN A 109 -23.986 23.874 -2.553 1.00 0.00 H new ATOM 0 HA GLN A 109 -23.624 26.188 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -22.853 25.545 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -22.397 27.033 -2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -21.134 25.728 -1.286 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -21.594 24.237 -2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -18.892 25.354 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -18.115 25.467 -3.155 1.00 0.00 H new ATOM 1730 N ASN A 110 -25.600 26.431 -3.568 1.00 0.00 N ATOM 1731 CA ASN A 110 -26.632 27.236 -4.243 1.00 0.00 C ATOM 1732 C ASN A 110 -27.990 27.103 -3.534 1.00 0.00 C ATOM 1733 O ASN A 110 -28.147 26.291 -2.613 1.00 0.00 O ATOM 1734 CB ASN A 110 -26.743 26.835 -5.748 1.00 0.00 C ATOM 1735 CG ASN A 110 -27.572 25.572 -6.065 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -28.197 25.496 -7.118 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -27.572 24.573 -5.190 1.00 0.00 N ATOM 0 H ASN A 110 -25.408 25.541 -4.028 1.00 0.00 H new ATOM 0 HA ASN A 110 -26.334 28.283 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -27.176 27.673 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -25.735 26.688 -6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -28.098 23.722 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -27.046 24.657 -4.320 1.00 0.00 H new ATOM 1744 N LYS A 111 -28.964 27.905 -3.980 1.00 0.00 N ATOM 1745 CA LYS A 111 -30.344 27.865 -3.484 1.00 0.00 C ATOM 1746 C LYS A 111 -31.297 28.336 -4.597 1.00 0.00 C ATOM 1747 O LYS A 111 -31.019 29.316 -5.290 1.00 0.00 O ATOM 1748 CB LYS A 111 -30.497 28.682 -2.148 1.00 0.00 C ATOM 1749 CG LYS A 111 -29.586 29.927 -1.968 1.00 0.00 C ATOM 1750 CD LYS A 111 -29.919 31.097 -2.907 1.00 0.00 C ATOM 1751 CE LYS A 111 -28.928 32.263 -2.762 1.00 0.00 C ATOM 1752 NZ LYS A 111 -29.227 33.355 -3.716 1.00 0.00 N ATOM 0 H LYS A 111 -28.814 28.608 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 111 -30.614 26.840 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -31.534 29.008 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -30.311 28.004 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -29.662 30.272 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -28.550 29.630 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -29.913 30.745 -3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -30.928 31.452 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -28.966 32.649 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -27.913 31.902 -2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -28.539 34.124 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -29.166 32.992 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -30.186 33.716 -3.540 1.00 0.00 H new ATOM 1766 N LYS A 112 -32.417 27.611 -4.784 1.00 0.00 N ATOM 1767 CA LYS A 112 -33.365 27.850 -5.892 1.00 0.00 C ATOM 1768 C LYS A 112 -34.736 27.228 -5.566 1.00 0.00 C ATOM 1769 O LYS A 112 -35.756 27.928 -5.562 1.00 0.00 O ATOM 1770 CB LYS A 112 -32.779 27.344 -7.262 1.00 0.00 C ATOM 1771 CG LYS A 112 -31.979 25.994 -7.229 1.00 0.00 C ATOM 1772 CD LYS A 112 -32.800 24.725 -7.607 1.00 0.00 C ATOM 1773 CE LYS A 112 -33.016 24.546 -9.128 1.00 0.00 C ATOM 1774 NZ LYS A 112 -33.823 25.628 -9.755 1.00 0.00 N ATOM 0 H LYS A 112 -32.691 26.843 -4.171 1.00 0.00 H new ATOM 0 HA LYS A 112 -33.515 28.924 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -33.604 27.234 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -32.123 28.119 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -31.132 26.075 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -31.570 25.857 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -32.289 23.845 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -33.772 24.774 -7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -32.044 24.500 -9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -33.509 23.590 -9.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -34.126 25.330 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -34.660 25.821 -9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -33.248 26.491 -9.831 1.00 0.00 H new ATOM 1788 N ASP A 113 -34.723 25.920 -5.272 1.00 0.00 N ATOM 1789 CA ASP A 113 -35.903 25.121 -4.874 1.00 0.00 C ATOM 1790 C ASP A 113 -35.452 23.682 -4.584 1.00 0.00 C ATOM 1791 O ASP A 113 -34.300 23.325 -4.872 1.00 0.00 O ATOM 1792 CB ASP A 113 -37.051 25.131 -5.936 1.00 0.00 C ATOM 1793 CG ASP A 113 -36.655 24.558 -7.309 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -36.727 23.327 -7.509 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -36.263 25.341 -8.200 1.00 0.00 O ATOM 0 H ASP A 113 -33.867 25.367 -5.304 1.00 0.00 H new ATOM 0 HA ASP A 113 -36.324 25.581 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -37.894 24.559 -5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -37.396 26.156 -6.070 1.00 0.00 H new ATOM 1800 N GLY A 114 -36.368 22.856 -4.035 1.00 0.00 N ATOM 1801 CA GLY A 114 -36.040 21.483 -3.627 1.00 0.00 C ATOM 1802 C GLY A 114 -34.996 21.438 -2.509 1.00 0.00 C ATOM 1803 O GLY A 114 -34.175 20.517 -2.443 1.00 0.00 O ATOM 0 H GLY A 114 -37.339 23.121 -3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -36.947 20.980 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -35.668 20.930 -4.490 1.00 0.00 H new ATOM 1807 N LEU A 115 -35.030 22.461 -1.644 1.00 0.00 N ATOM 1808 CA LEU A 115 -34.062 22.635 -0.541 1.00 0.00 C ATOM 1809 C LEU A 115 -34.586 21.980 0.746 1.00 0.00 C ATOM 1810 O LEU A 115 -33.795 21.604 1.618 1.00 0.00 O ATOM 1811 CB LEU A 115 -33.794 24.138 -0.299 1.00 0.00 C ATOM 1812 CG LEU A 115 -33.326 24.954 -1.542 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -33.106 26.431 -1.168 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -32.059 24.333 -2.194 1.00 0.00 C ATOM 0 H LEU A 115 -35.733 23.199 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 115 -33.128 22.149 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -34.706 24.592 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -33.037 24.232 0.479 1.00 0.00 H new ATOM 0 HG LEU A 115 -34.118 24.910 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -32.780 26.985 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -34.039 26.855 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -32.343 26.500 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -31.764 24.930 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -31.246 24.318 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -32.277 23.314 -2.515 1.00 0.00 H new ATOM 1826 N GLU A 116 -35.939 21.888 0.843 1.00 0.00 N ATOM 1827 CA GLU A 116 -36.673 21.189 1.921 1.00 0.00 C ATOM 1828 C GLU A 116 -36.452 21.896 3.277 1.00 0.00 C ATOM 1829 O GLU A 116 -37.294 22.688 3.716 1.00 0.00 O ATOM 1830 CB GLU A 116 -36.271 19.679 1.958 1.00 0.00 C ATOM 1831 CG GLU A 116 -36.394 18.956 0.599 1.00 0.00 C ATOM 1832 CD GLU A 116 -35.709 17.584 0.575 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -34.480 17.531 0.353 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -36.387 16.561 0.770 1.00 0.00 O ATOM 0 H GLU A 116 -36.561 22.310 0.154 1.00 0.00 H new ATOM 0 HA GLU A 116 -37.742 21.232 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -35.242 19.597 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -36.898 19.166 2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -37.449 18.831 0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -35.960 19.584 -0.179 1.00 0.00 H new ATOM 1841 N HIS A 117 -35.291 21.625 3.895 1.00 0.00 N ATOM 1842 CA HIS A 117 -34.819 22.276 5.132 1.00 0.00 C ATOM 1843 C HIS A 117 -33.351 21.888 5.346 1.00 0.00 C ATOM 1844 O HIS A 117 -32.496 22.750 5.589 1.00 0.00 O ATOM 1845 CB HIS A 117 -35.680 21.884 6.370 1.00 0.00 C ATOM 1846 CG HIS A 117 -35.334 22.628 7.642 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -35.133 22.002 8.857 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -35.173 23.953 7.882 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -34.876 22.902 9.780 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -34.890 24.092 9.217 1.00 0.00 N ATOM 0 H HIS A 117 -34.636 20.929 3.540 1.00 0.00 H new ATOM 0 HA HIS A 117 -34.916 23.356 5.023 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -36.730 22.061 6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -35.569 20.815 6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -35.253 24.750 7.157 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -34.686 22.699 10.824 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -34.718 24.976 9.697 1.00 0.00 H new ATOM 1859 N HIS A 118 -33.105 20.564 5.223 1.00 0.00 N ATOM 1860 CA HIS A 118 -31.801 19.910 5.417 1.00 0.00 C ATOM 1861 C HIS A 118 -31.233 20.210 6.812 1.00 0.00 C ATOM 1862 O HIS A 118 -30.491 21.175 6.998 1.00 0.00 O ATOM 1863 CB HIS A 118 -30.788 20.254 4.280 1.00 0.00 C ATOM 1864 CG HIS A 118 -31.190 19.725 2.925 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -31.070 20.448 1.763 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -31.699 18.526 2.559 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -31.486 19.723 0.746 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -31.874 18.555 1.201 1.00 0.00 N ATOM 0 H HIS A 118 -33.840 19.901 4.977 1.00 0.00 H new ATOM 0 HA HIS A 118 -31.967 18.834 5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -30.679 21.337 4.219 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -29.811 19.849 4.542 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -31.925 17.699 3.216 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -31.505 20.036 -0.287 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -32.246 17.792 0.635 1.00 0.00 H new ATOM 1877 N HIS A 119 -31.641 19.399 7.797 1.00 0.00 N ATOM 1878 CA HIS A 119 -31.206 19.526 9.195 1.00 0.00 C ATOM 1879 C HIS A 119 -30.634 18.179 9.648 1.00 0.00 C ATOM 1880 O HIS A 119 -31.389 17.255 9.982 1.00 0.00 O ATOM 1881 CB HIS A 119 -32.389 19.965 10.095 1.00 0.00 C ATOM 1882 CG HIS A 119 -32.042 20.094 11.563 1.00 0.00 C ATOM 1883 ND1 HIS A 119 -32.297 19.105 12.486 1.00 0.00 N ATOM 1884 CD2 HIS A 119 -31.444 21.093 12.254 1.00 0.00 C ATOM 1885 CE1 HIS A 119 -31.880 19.492 13.672 1.00 0.00 C ATOM 1886 NE2 HIS A 119 -31.357 20.693 13.563 1.00 0.00 N ATOM 0 H HIS A 119 -32.290 18.627 7.644 1.00 0.00 H new ATOM 0 HA HIS A 119 -30.436 20.293 9.279 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -32.766 20.923 9.737 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -33.199 19.244 9.987 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -31.099 22.033 11.849 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -31.955 18.918 14.584 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -30.953 21.237 14.325 1.00 0.00 H new ATOM 1895 N HIS A 120 -29.300 18.067 9.605 1.00 0.00 N ATOM 1896 CA HIS A 120 -28.571 16.841 9.990 1.00 0.00 C ATOM 1897 C HIS A 120 -28.162 16.911 11.465 1.00 0.00 C ATOM 1898 O HIS A 120 -28.446 17.896 12.147 1.00 0.00 O ATOM 1899 CB HIS A 120 -27.326 16.658 9.084 1.00 0.00 C ATOM 1900 CG HIS A 120 -27.656 16.608 7.620 1.00 0.00 C ATOM 1901 ND1 HIS A 120 -27.350 17.624 6.752 1.00 0.00 N ATOM 1902 CD2 HIS A 120 -28.289 15.669 6.880 1.00 0.00 C ATOM 1903 CE1 HIS A 120 -27.773 17.322 5.547 1.00 0.00 C ATOM 1904 NE2 HIS A 120 -28.347 16.140 5.595 1.00 0.00 N ATOM 0 H HIS A 120 -28.689 18.825 9.301 1.00 0.00 H new ATOM 0 HA HIS A 120 -29.226 15.980 9.856 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -26.631 17.478 9.264 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -26.813 15.738 9.365 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -28.676 14.725 7.235 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -27.668 17.939 4.667 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -28.767 15.653 4.804 1.00 0.00 H new ATOM 1913 N HIS A 121 -27.486 15.854 11.951 1.00 0.00 N ATOM 1914 CA HIS A 121 -26.935 15.823 13.323 1.00 0.00 C ATOM 1915 C HIS A 121 -25.492 16.365 13.354 1.00 0.00 C ATOM 1916 O HIS A 121 -24.854 16.341 14.411 1.00 0.00 O ATOM 1917 CB HIS A 121 -26.990 14.378 13.902 1.00 0.00 C ATOM 1918 CG HIS A 121 -26.037 13.382 13.268 1.00 0.00 C ATOM 1919 ND1 HIS A 121 -26.408 12.513 12.270 1.00 0.00 N ATOM 1920 CD2 HIS A 121 -24.728 13.123 13.506 1.00 0.00 C ATOM 1921 CE1 HIS A 121 -25.379 11.765 11.929 1.00 0.00 C ATOM 1922 NE2 HIS A 121 -24.354 12.118 12.660 1.00 0.00 N ATOM 0 H HIS A 121 -27.306 15.006 11.413 1.00 0.00 H new ATOM 0 HA HIS A 121 -27.551 16.470 13.948 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -26.780 14.426 14.970 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -28.007 14.001 13.794 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -24.098 13.619 14.230 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -25.381 10.992 11.175 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -23.422 11.707 12.607 1.00 0.00 H new ATOM 1931 N HIS A 122 -25.011 16.860 12.185 1.00 0.00 N ATOM 1932 CA HIS A 122 -23.604 17.226 11.931 1.00 0.00 C ATOM 1933 C HIS A 122 -22.718 15.952 11.984 1.00 0.00 C ATOM 1934 O HIS A 122 -22.611 15.262 10.949 1.00 0.00 O ATOM 1935 CB HIS A 122 -23.105 18.362 12.892 1.00 0.00 C ATOM 1936 CG HIS A 122 -23.851 19.658 12.766 1.00 0.00 C ATOM 1937 ND1 HIS A 122 -23.304 20.793 12.221 1.00 0.00 N ATOM 1938 CD2 HIS A 122 -25.109 19.995 13.130 1.00 0.00 C ATOM 1939 CE1 HIS A 122 -24.186 21.769 12.252 1.00 0.00 C ATOM 1940 NE2 HIS A 122 -25.289 21.311 12.802 1.00 0.00 N ATOM 1941 OXT HIS A 122 -22.189 15.611 13.061 1.00 0.00 O ATOM 0 H HIS A 122 -25.611 17.018 11.375 1.00 0.00 H new ATOM 0 HA HIS A 122 -23.525 17.648 10.929 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -23.184 18.011 13.921 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -22.048 18.546 12.698 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -25.837 19.346 13.594 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -24.031 22.774 11.888 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -26.141 21.850 12.959 1.00 0.00 H new TER 1950 HIS A 122