USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 752 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 TYR OH : rot -110:sc= -1.26 USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.803! X(o=-0.8!,f=-0.91) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0171 (180deg=-0.308) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.55 K(o=-1.5,f=-4.7!) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.746 F(o=-2.3!,f=-0.75) USER MOD Single : A 12 GLN : amide:sc= -5.89! C(o=-5.9!,f=-5.8!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0165 X(o=-0.017,f=-0.36) USER MOD Single : A 25 HIS : no HE2:sc= 0.402 K(o=0.4,f=-3.8!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -98:sc= -0.501! USER MOD Single : A 32 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.1!) USER MOD Single : A 34 GLN :FLIP amide:sc= -9.84! C(o=-12!,f=-9.8!) USER MOD Single : A 45 MET CE :methyl 158:sc= -1.1 (180deg=-1.68) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -2.54! (180deg=-2.54!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.679 F(o=-1.6!,f=-0.68) USER MOD Single : A 52 GLN : amide:sc= -2.36! C(o=-2.4!,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot 98:sc= 0.58 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 110:sc= -1.07 USER MOD Single : A 65 ASN : amide:sc= -4.07! C(o=-4.1!,f=-4.1!) USER MOD Single : A 68 HIS : no HD1:sc= -0.943 X(o=-0.94,f=-1.4) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.444 USER MOD Single : A 85 LYS NZ :NH3+ -155:sc= -0.0608 (180deg=-0.365) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.606 X(o=-0.61,f=-0.17) USER MOD Single : A 93 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.81) USER MOD Single : A 94 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.017) USER MOD Single : A 95 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.0074) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= -0.435 F(o=-1.5,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C MET A 1 3.396 -0.754 -1.091 1.00 0.00 C ATOM 4 O MET A 1 4.394 -0.397 -1.714 1.00 0.00 O ATOM 5 CB MET A 1 2.355 1.442 -1.672 1.00 0.00 C ATOM 6 CG MET A 1 1.390 1.886 -2.774 1.00 0.00 C ATOM 7 SD MET A 1 1.327 3.668 -2.849 1.00 0.00 S ATOM 8 CE MET A 1 -0.099 3.884 -3.900 1.00 0.00 C ATOM 0 H1 MET A 1 0.572 0.715 -0.048 1.00 0.00 H new ATOM 0 H2 MET A 1 0.903 -0.938 0.151 1.00 0.00 H new ATOM 0 H3 MET A 1 1.965 0.223 0.789 1.00 0.00 H new ATOM 0 HA MET A 1 1.475 -0.504 -2.005 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.260 2.105 -0.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.382 1.526 -2.027 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.713 1.485 -3.735 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.395 1.487 -2.580 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.282 4.948 -4.051 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.083 3.406 -4.863 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.971 3.430 -3.429 1.00 0.00 H new ATOM 18 N ILE A 2 3.359 -1.783 -0.257 1.00 0.00 N ATOM 19 CA ILE A 2 4.542 -2.590 -0.012 1.00 0.00 C ATOM 20 C ILE A 2 4.141 -3.861 0.740 1.00 0.00 C ATOM 21 O ILE A 2 4.608 -4.952 0.416 1.00 0.00 O ATOM 22 CB ILE A 2 5.615 -1.766 0.703 1.00 0.00 C ATOM 23 CG1 ILE A 2 6.838 -2.625 1.031 1.00 0.00 C ATOM 24 CG2 ILE A 2 5.043 -1.082 1.946 1.00 0.00 C ATOM 25 CD1 ILE A 2 7.725 -2.811 -0.201 1.00 0.00 C ATOM 0 H ILE A 2 2.528 -2.076 0.257 1.00 0.00 H new ATOM 0 HA ILE A 2 4.990 -2.904 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 2 5.948 -0.978 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.413 -2.156 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.515 -3.598 1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.826 -0.503 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.229 -0.418 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.665 -1.837 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.587 -3.425 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.155 -3.303 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.067 -1.838 -0.554 1.00 0.00 H new ATOM 37 N GLU A 3 3.278 -3.677 1.729 1.00 0.00 N ATOM 38 CA GLU A 3 2.809 -4.796 2.529 1.00 0.00 C ATOM 39 C GLU A 3 1.287 -4.741 2.676 1.00 0.00 C ATOM 40 O GLU A 3 0.709 -5.481 3.471 1.00 0.00 O ATOM 41 CB GLU A 3 3.492 -4.815 3.898 1.00 0.00 C ATOM 42 CG GLU A 3 4.396 -6.041 4.042 1.00 0.00 C ATOM 43 CD GLU A 3 4.979 -6.130 5.454 1.00 0.00 C ATOM 44 OE1 GLU A 3 5.878 -5.351 5.803 1.00 0.00 O ATOM 45 OE2 GLU A 3 4.463 -7.047 6.200 1.00 0.00 O ATOM 0 H GLU A 3 2.892 -2.771 1.994 1.00 0.00 H new ATOM 0 HA GLU A 3 3.072 -5.721 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.081 -3.907 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.738 -4.820 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.827 -6.944 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.205 -5.988 3.313 1.00 0.00 H new ATOM 53 N ASP A 4 0.680 -3.856 1.898 1.00 0.00 N ATOM 54 CA ASP A 4 -0.763 -3.695 1.932 1.00 0.00 C ATOM 55 C ASP A 4 -1.210 -3.441 3.373 1.00 0.00 C ATOM 56 O ASP A 4 -1.825 -4.304 3.998 1.00 0.00 O ATOM 57 CB ASP A 4 -1.470 -4.957 1.434 1.00 0.00 C ATOM 58 CG ASP A 4 -1.924 -4.909 -0.027 1.00 0.00 C ATOM 59 OD1 ASP A 4 -2.906 -5.562 -0.412 1.00 0.00 O ATOM 60 OD2 ASP A 4 -1.215 -4.153 -0.794 1.00 0.00 O ATOM 0 H ASP A 4 1.162 -3.243 1.240 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.024 -2.857 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.799 -5.806 1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.341 -5.140 2.064 1.00 0.00 H new ATOM 66 N PRO A 5 -0.874 -2.221 3.873 1.00 0.00 N ATOM 67 CA PRO A 5 -1.234 -1.843 5.228 1.00 0.00 C ATOM 68 C PRO A 5 -2.724 -1.511 5.328 1.00 0.00 C ATOM 69 O PRO A 5 -3.093 -0.411 5.735 1.00 0.00 O ATOM 70 CB PRO A 5 -0.339 -0.659 5.557 1.00 0.00 C ATOM 71 CG PRO A 5 0.155 -0.126 4.222 1.00 0.00 C ATOM 72 CD PRO A 5 -0.146 -1.174 3.162 1.00 0.00 C ATOM 0 HA PRO A 5 -1.083 -2.651 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.890 0.107 6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.495 -0.964 6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.339 0.815 3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.225 0.078 4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.743 -0.757 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.770 -1.561 2.716 1.00 0.00 H new ATOM 80 N MET A 6 -3.541 -2.484 4.949 1.00 0.00 N ATOM 81 CA MET A 6 -4.982 -2.309 4.991 1.00 0.00 C ATOM 82 C MET A 6 -5.692 -3.428 4.225 1.00 0.00 C ATOM 83 O MET A 6 -6.805 -3.816 4.577 1.00 0.00 O ATOM 84 CB MET A 6 -5.351 -0.957 4.378 1.00 0.00 C ATOM 85 CG MET A 6 -5.912 -0.009 5.439 1.00 0.00 C ATOM 86 SD MET A 6 -6.199 1.603 4.728 1.00 0.00 S ATOM 87 CE MET A 6 -6.199 2.600 6.208 1.00 0.00 C ATOM 0 H MET A 6 -3.232 -3.396 4.612 1.00 0.00 H new ATOM 0 HA MET A 6 -5.303 -2.345 6.032 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.471 -0.511 3.916 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.088 -1.101 3.588 1.00 0.00 H new ATOM 0 HG2 MET A 6 -6.843 -0.409 5.840 1.00 0.00 H new ATOM 0 HG3 MET A 6 -5.214 0.071 6.272 1.00 0.00 H new ATOM 0 HE1 MET A 6 -6.367 3.644 5.943 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.993 2.262 6.874 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.237 2.503 6.712 1.00 0.00 H new ATOM 97 N GLU A 7 -5.019 -3.914 3.193 1.00 0.00 N ATOM 98 CA GLU A 7 -5.572 -4.980 2.374 1.00 0.00 C ATOM 99 C GLU A 7 -6.882 -4.527 1.726 1.00 0.00 C ATOM 100 O GLU A 7 -7.963 -4.913 2.167 1.00 0.00 O ATOM 101 CB GLU A 7 -5.780 -6.252 3.198 1.00 0.00 C ATOM 102 CG GLU A 7 -4.535 -6.578 4.027 1.00 0.00 C ATOM 103 CD GLU A 7 -4.540 -8.043 4.469 1.00 0.00 C ATOM 104 OE1 GLU A 7 -5.079 -8.904 3.758 1.00 0.00 O ATOM 105 OE2 GLU A 7 -3.955 -8.274 5.596 1.00 0.00 O ATOM 0 H GLU A 7 -4.096 -3.590 2.905 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.859 -5.211 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.638 -6.126 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.008 -7.086 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.639 -6.374 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.497 -5.930 4.903 1.00 0.00 H new ATOM 113 N ASN A 8 -6.741 -3.714 0.689 1.00 0.00 N ATOM 114 CA ASN A 8 -7.899 -3.205 -0.025 1.00 0.00 C ATOM 115 C ASN A 8 -8.190 -4.106 -1.227 1.00 0.00 C ATOM 116 O ASN A 8 -8.853 -3.688 -2.175 1.00 0.00 O ATOM 117 CB ASN A 8 -7.646 -1.789 -0.547 1.00 0.00 C ATOM 118 CG ASN A 8 -6.309 -1.708 -1.286 1.00 0.00 C ATOM 119 OD1 ASN A 8 -5.874 -2.642 -1.939 1.00 0.00 O ATOM 120 ND2 ASN A 8 -5.684 -0.542 -1.148 1.00 0.00 N ATOM 0 H ASN A 8 -5.842 -3.395 0.327 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.741 -3.190 0.667 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.454 -1.495 -1.217 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.649 -1.085 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.784 -0.388 -1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.104 0.199 -0.587 1.00 0.00 H new ATOM 127 N ASN A 9 -7.680 -5.326 -1.148 1.00 0.00 N ATOM 128 CA ASN A 9 -7.876 -6.290 -2.217 1.00 0.00 C ATOM 129 C ASN A 9 -9.286 -6.877 -2.116 1.00 0.00 C ATOM 130 O ASN A 9 -9.821 -7.388 -3.099 1.00 0.00 O ATOM 131 CB ASN A 9 -6.876 -7.443 -2.110 1.00 0.00 C ATOM 132 CG ASN A 9 -7.160 -8.515 -3.164 1.00 0.00 C ATOM 133 OD1 ASN A 9 -8.132 -9.359 -2.829 1.00 0.00 O flip ATOM 134 ND2 ASN A 9 -6.538 -8.572 -4.212 1.00 0.00 N flip ATOM 0 H ASN A 9 -7.131 -5.669 -0.360 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.732 -5.774 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.862 -7.063 -2.237 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.929 -7.884 -1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.803 -7.892 -4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.753 -9.300 -4.894 1.00 0.00 H new ATOM 141 N GLU A 10 -9.847 -6.784 -0.920 1.00 0.00 N ATOM 142 CA GLU A 10 -11.184 -7.299 -0.678 1.00 0.00 C ATOM 143 C GLU A 10 -12.212 -6.511 -1.492 1.00 0.00 C ATOM 144 O GLU A 10 -13.033 -7.097 -2.195 1.00 0.00 O ATOM 145 CB GLU A 10 -11.523 -7.264 0.814 1.00 0.00 C ATOM 146 CG GLU A 10 -11.812 -8.670 1.343 1.00 0.00 C ATOM 147 CD GLU A 10 -12.780 -8.623 2.527 1.00 0.00 C ATOM 148 OE1 GLU A 10 -13.846 -9.254 2.482 1.00 0.00 O ATOM 149 OE2 GLU A 10 -12.391 -7.898 3.521 1.00 0.00 O ATOM 0 H GLU A 10 -9.400 -6.359 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.215 -8.340 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.693 -6.826 1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.390 -6.624 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.236 -9.282 0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.880 -9.146 1.649 1.00 0.00 H new ATOM 157 N ILE A 11 -12.132 -5.194 -1.371 1.00 0.00 N ATOM 158 CA ILE A 11 -13.045 -4.320 -2.087 1.00 0.00 C ATOM 159 C ILE A 11 -12.749 -4.398 -3.586 1.00 0.00 C ATOM 160 O ILE A 11 -13.624 -4.136 -4.410 1.00 0.00 O ATOM 161 CB ILE A 11 -12.983 -2.900 -1.520 1.00 0.00 C ATOM 162 CG1 ILE A 11 -13.110 -2.912 0.004 1.00 0.00 C ATOM 163 CG2 ILE A 11 -14.033 -2.001 -2.176 1.00 0.00 C ATOM 164 CD1 ILE A 11 -12.355 -1.736 0.627 1.00 0.00 C ATOM 0 H ILE A 11 -11.449 -4.711 -0.788 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.075 -4.649 -1.948 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.006 -2.480 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.162 -2.863 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.718 -3.850 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.967 -0.998 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.854 -1.956 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.027 -2.408 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.462 -1.768 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.299 -1.801 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.766 -0.799 0.250 1.00 0.00 H new ATOM 176 N GLN A 12 -11.512 -4.759 -3.894 1.00 0.00 N ATOM 177 CA GLN A 12 -11.089 -4.874 -5.279 1.00 0.00 C ATOM 178 C GLN A 12 -11.635 -6.164 -5.895 1.00 0.00 C ATOM 179 O GLN A 12 -12.012 -6.185 -7.066 1.00 0.00 O ATOM 180 CB GLN A 12 -9.564 -4.815 -5.394 1.00 0.00 C ATOM 181 CG GLN A 12 -9.137 -3.961 -6.589 1.00 0.00 C ATOM 182 CD GLN A 12 -7.777 -4.412 -7.127 1.00 0.00 C ATOM 183 OE1 GLN A 12 -7.668 -5.018 -8.180 1.00 0.00 O ATOM 184 NE2 GLN A 12 -6.751 -4.084 -6.347 1.00 0.00 N ATOM 0 H GLN A 12 -10.789 -4.976 -3.208 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.495 -4.028 -5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.142 -4.401 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.165 -5.823 -5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.886 -4.032 -7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.086 -2.913 -6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.913 -3.576 -5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.802 -4.341 -6.618 1.00 0.00 H new ATOM 193 N SER A 13 -11.661 -7.207 -5.079 1.00 0.00 N ATOM 194 CA SER A 13 -12.156 -8.497 -5.529 1.00 0.00 C ATOM 195 C SER A 13 -13.677 -8.449 -5.686 1.00 0.00 C ATOM 196 O SER A 13 -14.231 -9.073 -6.589 1.00 0.00 O ATOM 197 CB SER A 13 -11.757 -9.609 -4.557 1.00 0.00 C ATOM 198 OG SER A 13 -12.074 -10.902 -5.066 1.00 0.00 O ATOM 0 H SER A 13 -11.347 -7.185 -4.109 1.00 0.00 H new ATOM 0 HA SER A 13 -11.705 -8.718 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.687 -9.550 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.267 -9.459 -3.605 1.00 0.00 H new ATOM 0 HG SER A 13 -11.803 -11.585 -4.417 1.00 0.00 H new ATOM 204 N VAL A 14 -14.308 -7.702 -4.792 1.00 0.00 N ATOM 205 CA VAL A 14 -15.754 -7.565 -4.819 1.00 0.00 C ATOM 206 C VAL A 14 -16.152 -6.626 -5.960 1.00 0.00 C ATOM 207 O VAL A 14 -17.193 -6.812 -6.588 1.00 0.00 O ATOM 208 CB VAL A 14 -16.261 -7.095 -3.454 1.00 0.00 C ATOM 209 CG1 VAL A 14 -16.376 -5.570 -3.408 1.00 0.00 C ATOM 210 CG2 VAL A 14 -17.597 -7.756 -3.108 1.00 0.00 C ATOM 0 H VAL A 14 -13.844 -7.185 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.225 -8.529 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 14 -15.532 -7.399 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.738 -5.262 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.397 -5.126 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -17.074 -5.234 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.935 -7.405 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -18.338 -7.496 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.471 -8.838 -3.080 1.00 0.00 H new ATOM 220 N LEU A 15 -15.301 -5.638 -6.194 1.00 0.00 N ATOM 221 CA LEU A 15 -15.550 -4.669 -7.248 1.00 0.00 C ATOM 222 C LEU A 15 -15.420 -5.358 -8.608 1.00 0.00 C ATOM 223 O LEU A 15 -16.206 -5.097 -9.518 1.00 0.00 O ATOM 224 CB LEU A 15 -14.636 -3.453 -7.086 1.00 0.00 C ATOM 225 CG LEU A 15 -14.450 -2.582 -8.330 1.00 0.00 C ATOM 226 CD1 LEU A 15 -15.658 -1.669 -8.545 1.00 0.00 C ATOM 227 CD2 LEU A 15 -13.141 -1.794 -8.257 1.00 0.00 C ATOM 0 H LEU A 15 -14.438 -5.487 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.568 -4.285 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.034 -2.829 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.656 -3.801 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.383 -3.237 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -15.500 -1.061 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.554 -2.276 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.782 -1.019 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.033 -1.183 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.153 -1.149 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.303 -2.487 -8.187 1.00 0.00 H new ATOM 239 N MET A 16 -14.422 -6.224 -8.705 1.00 0.00 N ATOM 240 CA MET A 16 -14.180 -6.953 -9.938 1.00 0.00 C ATOM 241 C MET A 16 -15.220 -8.057 -10.137 1.00 0.00 C ATOM 242 O MET A 16 -15.721 -8.252 -11.243 1.00 0.00 O ATOM 243 CB MET A 16 -12.780 -7.569 -9.901 1.00 0.00 C ATOM 244 CG MET A 16 -12.045 -7.343 -11.223 1.00 0.00 C ATOM 245 SD MET A 16 -10.442 -6.620 -10.915 1.00 0.00 S ATOM 246 CE MET A 16 -10.118 -5.891 -12.511 1.00 0.00 C ATOM 0 H MET A 16 -13.771 -6.437 -7.949 1.00 0.00 H new ATOM 0 HA MET A 16 -14.257 -6.255 -10.771 1.00 0.00 H new ATOM 0 HB2 MET A 16 -12.208 -7.131 -9.083 1.00 0.00 H new ATOM 0 HB3 MET A 16 -12.855 -8.638 -9.701 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.931 -8.290 -11.751 1.00 0.00 H new ATOM 0 HG3 MET A 16 -12.631 -6.687 -11.867 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.148 -5.394 -12.494 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.113 -6.671 -13.273 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.895 -5.162 -12.743 1.00 0.00 H new ATOM 256 N ASN A 17 -15.513 -8.752 -9.047 1.00 0.00 N ATOM 257 CA ASN A 17 -16.485 -9.832 -9.087 1.00 0.00 C ATOM 258 C ASN A 17 -17.837 -9.279 -9.542 1.00 0.00 C ATOM 259 O ASN A 17 -18.530 -9.906 -10.342 1.00 0.00 O ATOM 260 CB ASN A 17 -16.671 -10.457 -7.703 1.00 0.00 C ATOM 261 CG ASN A 17 -15.692 -11.612 -7.487 1.00 0.00 C ATOM 262 OD1 ASN A 17 -15.631 -12.560 -8.253 1.00 0.00 O ATOM 263 ND2 ASN A 17 -14.932 -11.482 -6.404 1.00 0.00 N ATOM 0 H ASN A 17 -15.095 -8.588 -8.131 1.00 0.00 H new ATOM 0 HA ASN A 17 -16.118 -10.590 -9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -16.520 -9.699 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -17.694 -10.818 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -14.247 -12.201 -6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -15.034 -10.663 -5.805 1.00 0.00 H new ATOM 270 N ALA A 18 -18.171 -8.112 -9.014 1.00 0.00 N ATOM 271 CA ALA A 18 -19.428 -7.468 -9.356 1.00 0.00 C ATOM 272 C ALA A 18 -19.416 -7.092 -10.839 1.00 0.00 C ATOM 273 O ALA A 18 -20.411 -7.278 -11.538 1.00 0.00 O ATOM 274 CB ALA A 18 -19.644 -6.255 -8.448 1.00 0.00 C ATOM 0 H ALA A 18 -17.593 -7.595 -8.351 1.00 0.00 H new ATOM 0 HA ALA A 18 -20.264 -8.148 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -20.587 -5.772 -8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -19.674 -6.580 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.825 -5.548 -8.584 1.00 0.00 H new ATOM 280 N LEU A 19 -18.280 -6.569 -11.275 1.00 0.00 N ATOM 281 CA LEU A 19 -18.125 -6.165 -12.662 1.00 0.00 C ATOM 282 C LEU A 19 -16.801 -5.417 -12.826 1.00 0.00 C ATOM 283 O LEU A 19 -16.573 -4.399 -12.174 1.00 0.00 O ATOM 284 CB LEU A 19 -19.345 -5.365 -13.126 1.00 0.00 C ATOM 285 CG LEU A 19 -20.393 -6.144 -13.923 1.00 0.00 C ATOM 286 CD1 LEU A 19 -21.808 -5.788 -13.461 1.00 0.00 C ATOM 287 CD2 LEU A 19 -20.210 -5.928 -15.427 1.00 0.00 C ATOM 0 H LEU A 19 -17.457 -6.415 -10.692 1.00 0.00 H new ATOM 0 HA LEU A 19 -18.080 -7.040 -13.311 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -19.829 -4.936 -12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.998 -4.532 -13.737 1.00 0.00 H new ATOM 0 HG LEU A 19 -20.249 -7.207 -13.730 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -22.534 -6.355 -14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -21.918 -6.033 -12.405 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -21.980 -4.721 -13.606 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -20.968 -6.493 -15.971 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -20.313 -4.868 -15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -19.219 -6.270 -15.726 1.00 0.00 H new ATOM 299 N SER A 20 -15.961 -5.951 -13.702 1.00 0.00 N ATOM 300 CA SER A 20 -14.666 -5.347 -13.960 1.00 0.00 C ATOM 301 C SER A 20 -14.823 -4.154 -14.905 1.00 0.00 C ATOM 302 O SER A 20 -15.878 -3.521 -14.941 1.00 0.00 O ATOM 303 CB SER A 20 -13.690 -6.367 -14.551 1.00 0.00 C ATOM 304 OG SER A 20 -13.955 -7.688 -14.089 1.00 0.00 O ATOM 0 H SER A 20 -16.153 -6.795 -14.241 1.00 0.00 H new ATOM 0 HA SER A 20 -14.256 -4.999 -13.012 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.755 -6.343 -15.639 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.670 -6.088 -14.287 1.00 0.00 H new ATOM 0 HG SER A 20 -13.312 -8.310 -14.490 1.00 0.00 H new ATOM 310 N LEU A 21 -13.760 -3.882 -15.647 1.00 0.00 N ATOM 311 CA LEU A 21 -13.767 -2.776 -16.589 1.00 0.00 C ATOM 312 C LEU A 21 -12.378 -2.636 -17.215 1.00 0.00 C ATOM 313 O LEU A 21 -12.254 -2.307 -18.394 1.00 0.00 O ATOM 314 CB LEU A 21 -14.269 -1.499 -15.913 1.00 0.00 C ATOM 315 CG LEU A 21 -15.356 -0.726 -16.662 1.00 0.00 C ATOM 316 CD1 LEU A 21 -16.647 -1.544 -16.753 1.00 0.00 C ATOM 317 CD2 LEU A 21 -15.590 0.646 -16.027 1.00 0.00 C ATOM 0 H LEU A 21 -12.887 -4.409 -15.615 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.465 -2.973 -17.403 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.651 -1.760 -14.926 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.419 -0.834 -15.760 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.011 -0.554 -17.682 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.403 -0.972 -17.290 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.451 -2.475 -17.285 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.007 -1.769 -15.749 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.367 1.174 -16.579 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.903 0.519 -14.991 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.666 1.224 -16.058 1.00 0.00 H new ATOM 329 N GLN A 22 -11.367 -2.891 -16.397 1.00 0.00 N ATOM 330 CA GLN A 22 -9.991 -2.797 -16.855 1.00 0.00 C ATOM 331 C GLN A 22 -9.052 -2.566 -15.670 1.00 0.00 C ATOM 332 O GLN A 22 -8.197 -3.401 -15.379 1.00 0.00 O ATOM 333 CB GLN A 22 -9.836 -1.692 -17.902 1.00 0.00 C ATOM 334 CG GLN A 22 -9.770 -2.279 -19.313 1.00 0.00 C ATOM 335 CD GLN A 22 -8.324 -2.572 -19.718 1.00 0.00 C ATOM 336 OE1 GLN A 22 -7.601 -3.295 -19.052 1.00 0.00 O ATOM 337 NE2 GLN A 22 -7.945 -1.972 -20.842 1.00 0.00 N ATOM 0 H GLN A 22 -11.473 -3.163 -15.420 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.721 -3.741 -17.329 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.674 -0.999 -17.831 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.931 -1.119 -17.700 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.357 -3.197 -19.357 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.216 -1.581 -20.022 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.602 -1.380 -21.350 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.998 -2.104 -21.196 1.00 0.00 H new ATOM 346 N GLU A 23 -9.242 -1.428 -15.018 1.00 0.00 N ATOM 347 CA GLU A 23 -8.422 -1.076 -13.872 1.00 0.00 C ATOM 348 C GLU A 23 -9.306 -0.772 -12.660 1.00 0.00 C ATOM 349 O GLU A 23 -10.519 -0.621 -12.795 1.00 0.00 O ATOM 350 CB GLU A 23 -7.507 0.107 -14.194 1.00 0.00 C ATOM 351 CG GLU A 23 -6.107 -0.372 -14.581 1.00 0.00 C ATOM 352 CD GLU A 23 -5.674 0.227 -15.921 1.00 0.00 C ATOM 353 OE1 GLU A 23 -6.490 0.325 -16.849 1.00 0.00 O ATOM 354 OE2 GLU A 23 -4.439 0.597 -15.979 1.00 0.00 O ATOM 0 H GLU A 23 -9.952 -0.738 -15.262 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.787 -1.928 -13.630 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.934 0.690 -15.010 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.443 0.768 -13.329 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.395 -0.090 -13.805 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.095 -1.460 -14.644 1.00 0.00 H new ATOM 362 N VAL A 24 -8.664 -0.692 -11.504 1.00 0.00 N ATOM 363 CA VAL A 24 -9.376 -0.409 -10.270 1.00 0.00 C ATOM 364 C VAL A 24 -8.710 0.772 -9.561 1.00 0.00 C ATOM 365 O VAL A 24 -7.505 0.980 -9.692 1.00 0.00 O ATOM 366 CB VAL A 24 -9.442 -1.667 -9.403 1.00 0.00 C ATOM 367 CG1 VAL A 24 -10.168 -2.799 -10.133 1.00 0.00 C ATOM 368 CG2 VAL A 24 -8.042 -2.106 -8.967 1.00 0.00 C ATOM 0 H VAL A 24 -7.658 -0.818 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.406 -0.122 -10.481 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.013 -1.426 -8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.201 -3.682 -9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.184 -2.485 -10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.637 -3.037 -11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.117 -3.003 -8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.437 -2.320 -9.848 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.574 -1.308 -8.390 1.00 0.00 H new ATOM 378 N HIS A 25 -9.524 1.515 -8.826 1.00 0.00 N ATOM 379 CA HIS A 25 -9.029 2.670 -8.096 1.00 0.00 C ATOM 380 C HIS A 25 -9.672 2.714 -6.708 1.00 0.00 C ATOM 381 O HIS A 25 -10.878 2.920 -6.586 1.00 0.00 O ATOM 382 CB HIS A 25 -9.253 3.955 -8.895 1.00 0.00 C ATOM 383 CG HIS A 25 -7.985 4.713 -9.207 1.00 0.00 C ATOM 384 ND1 HIS A 25 -7.841 6.067 -8.961 1.00 0.00 N ATOM 385 CD2 HIS A 25 -6.805 4.292 -9.746 1.00 0.00 C ATOM 386 CE1 HIS A 25 -6.626 6.435 -9.340 1.00 0.00 C ATOM 387 NE2 HIS A 25 -5.985 5.333 -9.827 1.00 0.00 N ATOM 0 H HIS A 25 -10.523 1.340 -8.720 1.00 0.00 H new ATOM 0 HA HIS A 25 -7.952 2.582 -7.956 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.755 3.706 -9.830 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -9.925 4.606 -8.336 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -8.550 6.678 -8.556 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -6.576 3.283 -10.055 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -6.215 7.432 -9.275 1.00 0.00 H new ATOM 395 N VAL A 26 -8.838 2.518 -5.698 1.00 0.00 N ATOM 396 CA VAL A 26 -9.310 2.533 -4.324 1.00 0.00 C ATOM 397 C VAL A 26 -8.654 3.696 -3.576 1.00 0.00 C ATOM 398 O VAL A 26 -7.571 3.545 -3.013 1.00 0.00 O ATOM 399 CB VAL A 26 -9.049 1.177 -3.666 1.00 0.00 C ATOM 400 CG1 VAL A 26 -9.615 0.037 -4.516 1.00 0.00 C ATOM 401 CG2 VAL A 26 -7.556 0.974 -3.400 1.00 0.00 C ATOM 0 H VAL A 26 -7.838 2.348 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.388 2.693 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.564 1.166 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.416 -0.916 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.691 0.168 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.142 0.046 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.399 0.002 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.010 1.016 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.195 1.759 -2.736 1.00 0.00 H new ATOM 411 N SER A 27 -9.337 4.831 -3.596 1.00 0.00 N ATOM 412 CA SER A 27 -8.834 6.019 -2.928 1.00 0.00 C ATOM 413 C SER A 27 -9.463 6.143 -1.538 1.00 0.00 C ATOM 414 O SER A 27 -10.685 6.111 -1.401 1.00 0.00 O ATOM 415 CB SER A 27 -9.117 7.277 -3.752 1.00 0.00 C ATOM 416 OG SER A 27 -9.046 7.024 -5.153 1.00 0.00 O ATOM 0 H SER A 27 -10.235 4.953 -4.064 1.00 0.00 H new ATOM 0 HA SER A 27 -7.753 5.921 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.107 7.659 -3.502 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.399 8.053 -3.487 1.00 0.00 H new ATOM 0 HG SER A 27 -9.234 7.851 -5.645 1.00 0.00 H new ATOM 422 N GLY A 28 -8.599 6.283 -0.544 1.00 0.00 N ATOM 423 CA GLY A 28 -9.054 6.412 0.830 1.00 0.00 C ATOM 424 C GLY A 28 -8.169 7.385 1.612 1.00 0.00 C ATOM 425 O GLY A 28 -7.103 7.776 1.140 1.00 0.00 O ATOM 0 H GLY A 28 -7.586 6.310 -0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.086 6.762 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.043 5.435 1.314 1.00 0.00 H new ATOM 429 N ASP A 29 -8.644 7.747 2.795 1.00 0.00 N ATOM 430 CA ASP A 29 -7.909 8.666 3.647 1.00 0.00 C ATOM 431 C ASP A 29 -8.770 9.031 4.858 1.00 0.00 C ATOM 432 O ASP A 29 -9.429 10.069 4.865 1.00 0.00 O ATOM 433 CB ASP A 29 -7.572 9.959 2.900 1.00 0.00 C ATOM 434 CG ASP A 29 -6.106 10.102 2.485 1.00 0.00 C ATOM 435 OD1 ASP A 29 -5.797 10.624 1.404 1.00 0.00 O ATOM 436 OD2 ASP A 29 -5.251 9.645 3.336 1.00 0.00 O ATOM 0 H ASP A 29 -9.529 7.420 3.183 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.986 8.176 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.194 10.018 2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.840 10.806 3.531 1.00 0.00 H new ATOM 442 N GLY A 30 -8.735 8.157 5.853 1.00 0.00 N ATOM 443 CA GLY A 30 -9.504 8.374 7.067 1.00 0.00 C ATOM 444 C GLY A 30 -10.376 7.158 7.388 1.00 0.00 C ATOM 445 O GLY A 30 -10.381 6.675 8.519 1.00 0.00 O ATOM 0 H GLY A 30 -8.186 7.297 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.828 8.572 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.133 9.257 6.951 1.00 0.00 H new ATOM 449 N SER A 31 -11.094 6.700 6.373 1.00 0.00 N ATOM 450 CA SER A 31 -11.968 5.551 6.533 1.00 0.00 C ATOM 451 C SER A 31 -12.928 5.455 5.346 1.00 0.00 C ATOM 452 O SER A 31 -13.364 4.363 4.982 1.00 0.00 O ATOM 453 CB SER A 31 -12.752 5.633 7.844 1.00 0.00 C ATOM 454 OG SER A 31 -12.746 6.950 8.388 1.00 0.00 O ATOM 0 H SER A 31 -11.088 7.104 5.437 1.00 0.00 H new ATOM 0 HA SER A 31 -11.350 4.654 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.781 5.317 7.672 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.322 4.940 8.567 1.00 0.00 H new ATOM 0 HG SER A 31 -12.053 7.016 9.078 1.00 0.00 H new ATOM 460 N HIS A 32 -13.230 6.611 4.774 1.00 0.00 N ATOM 461 CA HIS A 32 -14.131 6.671 3.636 1.00 0.00 C ATOM 462 C HIS A 32 -13.319 6.693 2.339 1.00 0.00 C ATOM 463 O HIS A 32 -12.766 7.726 1.966 1.00 0.00 O ATOM 464 CB HIS A 32 -15.084 7.862 3.759 1.00 0.00 C ATOM 465 CG HIS A 32 -14.442 9.195 3.457 1.00 0.00 C ATOM 466 ND1 HIS A 32 -14.436 9.755 2.191 1.00 0.00 N ATOM 467 CD2 HIS A 32 -13.786 10.073 4.269 1.00 0.00 C ATOM 468 CE1 HIS A 32 -13.802 10.917 2.250 1.00 0.00 C ATOM 469 NE2 HIS A 32 -13.400 11.112 3.539 1.00 0.00 N ATOM 0 H HIS A 32 -12.866 7.514 5.078 1.00 0.00 H new ATOM 0 HA HIS A 32 -14.758 5.779 3.617 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -15.925 7.713 3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -15.490 7.887 4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -13.610 9.944 5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.633 11.591 1.423 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -12.887 11.923 3.885 1.00 0.00 H new ATOM 477 N PHE A 33 -13.273 5.540 1.688 1.00 0.00 N ATOM 478 CA PHE A 33 -12.538 5.413 0.442 1.00 0.00 C ATOM 479 C PHE A 33 -13.465 4.998 -0.702 1.00 0.00 C ATOM 480 O PHE A 33 -14.330 4.141 -0.525 1.00 0.00 O ATOM 481 CB PHE A 33 -11.486 4.322 0.651 1.00 0.00 C ATOM 482 CG PHE A 33 -11.287 3.922 2.114 1.00 0.00 C ATOM 483 CD1 PHE A 33 -10.738 4.803 2.992 1.00 0.00 C ATOM 484 CD2 PHE A 33 -11.661 2.684 2.538 1.00 0.00 C ATOM 485 CE1 PHE A 33 -10.553 4.432 4.350 1.00 0.00 C ATOM 486 CE2 PHE A 33 -11.476 2.313 3.896 1.00 0.00 C ATOM 487 CZ PHE A 33 -10.927 3.195 4.773 1.00 0.00 C ATOM 0 H PHE A 33 -13.733 4.685 2.001 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.086 6.369 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.774 3.440 0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.534 4.667 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.442 5.786 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.098 1.984 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.115 5.132 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -11.771 1.330 4.232 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.788 2.913 5.806 1.00 0.00 H new ATOM 497 N GLN A 34 -13.254 5.625 -1.850 1.00 0.00 N ATOM 498 CA GLN A 34 -14.061 5.332 -3.023 1.00 0.00 C ATOM 499 C GLN A 34 -13.365 4.287 -3.898 1.00 0.00 C ATOM 500 O GLN A 34 -12.139 4.275 -3.999 1.00 0.00 O ATOM 501 CB GLN A 34 -14.356 6.605 -3.818 1.00 0.00 C ATOM 502 CG GLN A 34 -14.581 6.287 -5.297 1.00 0.00 C ATOM 503 CD GLN A 34 -15.478 7.339 -5.954 1.00 0.00 C ATOM 504 OE1 GLN A 34 -16.668 6.877 -6.328 1.00 0.00 O flip ATOM 505 NE2 GLN A 34 -15.114 8.493 -6.109 1.00 0.00 N flip ATOM 0 H GLN A 34 -12.536 6.335 -1.993 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.015 4.922 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -15.239 7.097 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.526 7.303 -3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.622 6.247 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.037 5.302 -5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.186 8.781 -5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.737 9.170 -6.549 1.00 0.00 H new ATOM 514 N VAL A 35 -14.177 3.437 -4.508 1.00 0.00 N ATOM 515 CA VAL A 35 -13.654 2.392 -5.371 1.00 0.00 C ATOM 516 C VAL A 35 -14.098 2.656 -6.811 1.00 0.00 C ATOM 517 O VAL A 35 -15.106 2.115 -7.263 1.00 0.00 O ATOM 518 CB VAL A 35 -14.090 1.019 -4.854 1.00 0.00 C ATOM 519 CG1 VAL A 35 -13.745 -0.081 -5.860 1.00 0.00 C ATOM 520 CG2 VAL A 35 -13.469 0.726 -3.486 1.00 0.00 C ATOM 0 H VAL A 35 -15.193 3.450 -4.422 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.564 2.398 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.173 1.035 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.065 -1.046 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.255 0.115 -6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.668 -0.097 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.795 -0.255 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.382 0.739 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.787 1.485 -2.772 1.00 0.00 H new ATOM 530 N ILE A 36 -13.324 3.488 -7.492 1.00 0.00 N ATOM 531 CA ILE A 36 -13.625 3.831 -8.872 1.00 0.00 C ATOM 532 C ILE A 36 -13.001 2.787 -9.800 1.00 0.00 C ATOM 533 O ILE A 36 -11.783 2.611 -9.812 1.00 0.00 O ATOM 534 CB ILE A 36 -13.186 5.265 -9.176 1.00 0.00 C ATOM 535 CG1 ILE A 36 -14.388 6.144 -9.524 1.00 0.00 C ATOM 536 CG2 ILE A 36 -12.120 5.291 -10.272 1.00 0.00 C ATOM 537 CD1 ILE A 36 -14.035 7.628 -9.405 1.00 0.00 C ATOM 0 H ILE A 36 -12.489 3.935 -7.114 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.701 3.809 -9.044 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.733 5.682 -8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.721 5.926 -10.539 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.219 5.910 -8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.826 6.322 -10.469 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.250 4.721 -9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.524 4.849 -11.183 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.907 8.231 -9.658 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.726 7.848 -8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.220 7.864 -10.089 1.00 0.00 H new ATOM 549 N ALA A 37 -13.863 2.121 -10.554 1.00 0.00 N ATOM 550 CA ALA A 37 -13.411 1.099 -11.483 1.00 0.00 C ATOM 551 C ALA A 37 -12.973 1.763 -12.790 1.00 0.00 C ATOM 552 O ALA A 37 -13.803 2.275 -13.539 1.00 0.00 O ATOM 553 CB ALA A 37 -14.526 0.073 -11.695 1.00 0.00 C ATOM 0 H ALA A 37 -14.872 2.269 -10.541 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.550 0.566 -11.079 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.187 -0.694 -12.392 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.780 -0.390 -10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -15.406 0.571 -12.103 1.00 0.00 H new ATOM 559 N VAL A 38 -11.669 1.731 -13.024 1.00 0.00 N ATOM 560 CA VAL A 38 -11.110 2.322 -14.228 1.00 0.00 C ATOM 561 C VAL A 38 -11.358 1.387 -15.413 1.00 0.00 C ATOM 562 O VAL A 38 -11.564 0.188 -15.230 1.00 0.00 O ATOM 563 CB VAL A 38 -9.629 2.640 -14.016 1.00 0.00 C ATOM 564 CG1 VAL A 38 -8.955 3.020 -15.336 1.00 0.00 C ATOM 565 CG2 VAL A 38 -9.448 3.742 -12.971 1.00 0.00 C ATOM 0 H VAL A 38 -10.984 1.305 -12.400 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.602 3.268 -14.453 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.144 1.739 -13.639 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.903 3.241 -15.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.037 2.191 -16.038 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.444 3.899 -15.754 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.386 3.948 -12.840 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.955 4.647 -13.305 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.874 3.417 -12.022 1.00 0.00 H new ATOM 575 N GLY A 39 -11.329 1.970 -16.603 1.00 0.00 N ATOM 576 CA GLY A 39 -11.548 1.204 -17.817 1.00 0.00 C ATOM 577 C GLY A 39 -12.235 2.055 -18.887 1.00 0.00 C ATOM 578 O GLY A 39 -11.626 2.966 -19.446 1.00 0.00 O ATOM 0 H GLY A 39 -11.157 2.964 -16.751 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.594 0.837 -18.196 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.160 0.330 -17.594 1.00 0.00 H new ATOM 582 N GLU A 40 -13.494 1.728 -19.139 1.00 0.00 N ATOM 583 CA GLU A 40 -14.271 2.452 -20.131 1.00 0.00 C ATOM 584 C GLU A 40 -15.530 1.664 -20.497 1.00 0.00 C ATOM 585 O GLU A 40 -16.508 2.237 -20.974 1.00 0.00 O ATOM 586 CB GLU A 40 -13.430 2.750 -21.374 1.00 0.00 C ATOM 587 CG GLU A 40 -13.069 4.235 -21.448 1.00 0.00 C ATOM 588 CD GLU A 40 -13.185 4.757 -22.882 1.00 0.00 C ATOM 589 OE1 GLU A 40 -13.654 5.884 -23.096 1.00 0.00 O ATOM 590 OE2 GLU A 40 -12.765 3.945 -23.793 1.00 0.00 O ATOM 0 H GLU A 40 -13.995 0.971 -18.673 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.576 3.406 -19.701 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.519 2.151 -21.354 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.982 2.461 -22.269 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.729 4.806 -20.795 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.053 4.384 -21.084 1.00 0.00 H new ATOM 598 N LEU A 41 -15.465 0.362 -20.259 1.00 0.00 N ATOM 599 CA LEU A 41 -16.588 -0.510 -20.558 1.00 0.00 C ATOM 600 C LEU A 41 -17.885 0.162 -20.103 1.00 0.00 C ATOM 601 O LEU A 41 -18.862 0.205 -20.850 1.00 0.00 O ATOM 602 CB LEU A 41 -16.367 -1.896 -19.948 1.00 0.00 C ATOM 603 CG LEU A 41 -17.628 -2.650 -19.520 1.00 0.00 C ATOM 604 CD1 LEU A 41 -18.699 -2.589 -20.611 1.00 0.00 C ATOM 605 CD2 LEU A 41 -17.297 -4.089 -19.121 1.00 0.00 C ATOM 0 H LEU A 41 -14.652 -0.110 -19.863 1.00 0.00 H new ATOM 0 HA LEU A 41 -16.671 -0.669 -21.633 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.830 -2.508 -20.672 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.719 -1.789 -19.078 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.038 -2.158 -18.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.585 -3.132 -20.282 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -18.962 -1.549 -20.805 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.314 -3.042 -21.525 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.210 -4.603 -18.821 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.850 -4.608 -19.969 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.594 -4.083 -18.288 1.00 0.00 H new ATOM 617 N PHE A 42 -17.854 0.669 -18.879 1.00 0.00 N ATOM 618 CA PHE A 42 -19.015 1.337 -18.316 1.00 0.00 C ATOM 619 C PHE A 42 -19.005 2.830 -18.651 1.00 0.00 C ATOM 620 O PHE A 42 -19.555 3.640 -17.907 1.00 0.00 O ATOM 621 CB PHE A 42 -18.936 1.167 -16.798 1.00 0.00 C ATOM 622 CG PHE A 42 -19.597 -0.113 -16.280 1.00 0.00 C ATOM 623 CD1 PHE A 42 -20.775 -0.533 -16.813 1.00 0.00 C ATOM 624 CD2 PHE A 42 -19.005 -0.830 -15.288 1.00 0.00 C ATOM 625 CE1 PHE A 42 -21.388 -1.721 -16.333 1.00 0.00 C ATOM 626 CE2 PHE A 42 -19.618 -2.018 -14.807 1.00 0.00 C ATOM 627 CZ PHE A 42 -20.796 -2.438 -15.340 1.00 0.00 C ATOM 0 H PHE A 42 -17.043 0.630 -18.262 1.00 0.00 H new ATOM 0 HA PHE A 42 -19.928 0.906 -18.727 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -17.889 1.171 -16.496 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -19.408 2.026 -16.321 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -21.245 0.037 -17.601 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -18.069 -0.496 -14.866 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -22.324 -2.055 -16.756 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.148 -2.587 -14.018 1.00 0.00 H new ATOM 0 HZ PHE A 42 -21.262 -3.341 -14.975 1.00 0.00 H new ATOM 637 N ASP A 43 -18.374 3.148 -19.772 1.00 0.00 N ATOM 638 CA ASP A 43 -18.285 4.530 -20.214 1.00 0.00 C ATOM 639 C ASP A 43 -19.394 4.807 -21.232 1.00 0.00 C ATOM 640 O ASP A 43 -19.368 5.825 -21.921 1.00 0.00 O ATOM 641 CB ASP A 43 -16.942 4.806 -20.892 1.00 0.00 C ATOM 642 CG ASP A 43 -16.860 4.385 -22.361 1.00 0.00 C ATOM 643 OD1 ASP A 43 -16.055 4.923 -23.135 1.00 0.00 O ATOM 644 OD2 ASP A 43 -17.678 3.450 -22.706 1.00 0.00 O ATOM 0 H ASP A 43 -17.920 2.473 -20.387 1.00 0.00 H new ATOM 0 HA ASP A 43 -18.385 5.171 -19.338 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.730 5.873 -20.823 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.159 4.289 -20.337 1.00 0.00 H new ATOM 650 N GLY A 44 -20.341 3.882 -21.294 1.00 0.00 N ATOM 651 CA GLY A 44 -21.457 4.015 -22.215 1.00 0.00 C ATOM 652 C GLY A 44 -22.790 3.808 -21.495 1.00 0.00 C ATOM 653 O GLY A 44 -23.851 3.871 -22.115 1.00 0.00 O ATOM 0 H GLY A 44 -20.358 3.038 -20.722 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -21.438 5.003 -22.675 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -21.358 3.287 -23.020 1.00 0.00 H new ATOM 657 N MET A 45 -22.694 3.564 -20.196 1.00 0.00 N ATOM 658 CA MET A 45 -23.879 3.348 -19.385 1.00 0.00 C ATOM 659 C MET A 45 -24.119 4.526 -18.439 1.00 0.00 C ATOM 660 O MET A 45 -23.175 5.201 -18.030 1.00 0.00 O ATOM 661 CB MET A 45 -23.713 2.064 -18.570 1.00 0.00 C ATOM 662 CG MET A 45 -25.056 1.594 -18.006 1.00 0.00 C ATOM 663 SD MET A 45 -25.447 -0.030 -18.635 1.00 0.00 S ATOM 664 CE MET A 45 -24.165 -0.986 -17.844 1.00 0.00 C ATOM 0 H MET A 45 -21.813 3.511 -19.685 1.00 0.00 H new ATOM 0 HA MET A 45 -24.739 3.259 -20.049 1.00 0.00 H new ATOM 0 HB2 MET A 45 -23.285 1.283 -19.199 1.00 0.00 H new ATOM 0 HB3 MET A 45 -23.012 2.236 -17.753 1.00 0.00 H new ATOM 0 HG2 MET A 45 -25.015 1.571 -16.917 1.00 0.00 H new ATOM 0 HG3 MET A 45 -25.842 2.298 -18.280 1.00 0.00 H new ATOM 0 HE1 MET A 45 -24.468 -2.032 -17.797 1.00 0.00 H new ATOM 0 HE2 MET A 45 -23.242 -0.901 -18.417 1.00 0.00 H new ATOM 0 HE3 MET A 45 -24.001 -0.610 -16.834 1.00 0.00 H new ATOM 674 N SER A 46 -25.387 4.737 -18.118 1.00 0.00 N ATOM 675 CA SER A 46 -25.763 5.822 -17.228 1.00 0.00 C ATOM 676 C SER A 46 -25.206 5.566 -15.826 1.00 0.00 C ATOM 677 O SER A 46 -25.067 4.416 -15.410 1.00 0.00 O ATOM 678 CB SER A 46 -27.283 5.988 -17.173 1.00 0.00 C ATOM 679 OG SER A 46 -27.668 7.144 -16.433 1.00 0.00 O ATOM 0 H SER A 46 -26.167 4.175 -18.458 1.00 0.00 H new ATOM 0 HA SER A 46 -25.338 6.747 -17.618 1.00 0.00 H new ATOM 0 HB2 SER A 46 -27.677 6.059 -18.187 1.00 0.00 H new ATOM 0 HB3 SER A 46 -27.728 5.102 -16.719 1.00 0.00 H new ATOM 0 HG SER A 46 -28.645 7.215 -16.423 1.00 0.00 H new ATOM 685 N ARG A 47 -24.904 6.655 -15.135 1.00 0.00 N ATOM 686 CA ARG A 47 -24.365 6.562 -13.789 1.00 0.00 C ATOM 687 C ARG A 47 -25.324 5.783 -12.886 1.00 0.00 C ATOM 688 O ARG A 47 -24.892 5.095 -11.963 1.00 0.00 O ATOM 689 CB ARG A 47 -24.130 7.952 -13.193 1.00 0.00 C ATOM 690 CG ARG A 47 -23.724 7.855 -11.721 1.00 0.00 C ATOM 691 CD ARG A 47 -23.236 9.207 -11.197 1.00 0.00 C ATOM 692 NE ARG A 47 -24.278 9.828 -10.350 1.00 0.00 N ATOM 693 CZ ARG A 47 -25.297 10.574 -10.828 1.00 0.00 C ATOM 694 NH1 ARG A 47 -25.419 10.798 -12.154 1.00 0.00 N ATOM 695 NH2 ARG A 47 -26.172 11.081 -9.980 1.00 0.00 N ATOM 0 H ARG A 47 -25.022 7.607 -15.482 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.411 6.038 -13.849 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -23.351 8.466 -13.756 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.037 8.549 -13.285 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.573 7.516 -11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -22.936 7.110 -11.606 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -22.320 9.074 -10.622 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -22.995 9.865 -12.032 1.00 0.00 H new ATOM 0 HE ARG A 47 -24.223 9.684 -9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -24.738 10.403 -12.803 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -26.192 11.363 -12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.073 10.907 -8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -26.948 11.647 -10.325 1.00 0.00 H new ATOM 708 N VAL A 48 -26.608 5.918 -13.185 1.00 0.00 N ATOM 709 CA VAL A 48 -27.632 5.235 -12.412 1.00 0.00 C ATOM 710 C VAL A 48 -27.576 3.736 -12.712 1.00 0.00 C ATOM 711 O VAL A 48 -27.265 2.934 -11.832 1.00 0.00 O ATOM 712 CB VAL A 48 -29.002 5.852 -12.698 1.00 0.00 C ATOM 713 CG1 VAL A 48 -30.127 4.883 -12.329 1.00 0.00 C ATOM 714 CG2 VAL A 48 -29.166 7.187 -11.969 1.00 0.00 C ATOM 0 H VAL A 48 -26.963 6.490 -13.952 1.00 0.00 H new ATOM 0 HA VAL A 48 -27.452 5.359 -11.344 1.00 0.00 H new ATOM 0 HB VAL A 48 -29.065 6.046 -13.769 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -31.090 5.346 -12.542 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -30.026 3.969 -12.914 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -30.067 4.643 -11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -30.149 7.604 -12.190 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -29.072 7.029 -10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -28.394 7.881 -12.302 1.00 0.00 H new ATOM 724 N LYS A 49 -27.882 3.402 -13.957 1.00 0.00 N ATOM 725 CA LYS A 49 -27.871 2.014 -14.384 1.00 0.00 C ATOM 726 C LYS A 49 -26.525 1.383 -14.019 1.00 0.00 C ATOM 727 O LYS A 49 -26.454 0.191 -13.725 1.00 0.00 O ATOM 728 CB LYS A 49 -28.216 1.907 -15.871 1.00 0.00 C ATOM 729 CG LYS A 49 -29.366 0.924 -16.098 1.00 0.00 C ATOM 730 CD LYS A 49 -28.862 -0.371 -16.737 1.00 0.00 C ATOM 731 CE LYS A 49 -29.969 -1.426 -16.786 1.00 0.00 C ATOM 732 NZ LYS A 49 -30.006 -2.078 -18.114 1.00 0.00 N ATOM 0 H LYS A 49 -28.139 4.070 -14.684 1.00 0.00 H new ATOM 0 HA LYS A 49 -28.642 1.449 -13.860 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -28.491 2.889 -16.256 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -27.338 1.581 -16.429 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -29.851 0.700 -15.148 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -30.119 1.381 -16.740 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -28.504 -0.167 -17.746 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.014 -0.755 -16.170 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.801 -2.174 -16.012 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -30.932 -0.961 -16.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.763 -2.791 -18.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -30.189 -1.363 -18.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -29.092 -2.539 -18.300 1.00 0.00 H new ATOM 745 N LYS A 50 -25.492 2.212 -14.049 1.00 0.00 N ATOM 746 CA LYS A 50 -24.153 1.750 -13.725 1.00 0.00 C ATOM 747 C LYS A 50 -24.018 1.616 -12.207 1.00 0.00 C ATOM 748 O LYS A 50 -23.260 0.779 -11.719 1.00 0.00 O ATOM 749 CB LYS A 50 -23.103 2.666 -14.358 1.00 0.00 C ATOM 750 CG LYS A 50 -21.687 2.180 -14.037 1.00 0.00 C ATOM 751 CD LYS A 50 -20.873 3.278 -13.349 1.00 0.00 C ATOM 752 CE LYS A 50 -20.766 4.519 -14.238 1.00 0.00 C ATOM 753 NZ LYS A 50 -20.163 4.171 -15.544 1.00 0.00 N ATOM 0 H LYS A 50 -25.555 3.200 -14.293 1.00 0.00 H new ATOM 0 HA LYS A 50 -23.977 0.761 -14.149 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -23.245 2.696 -15.438 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -23.234 3.684 -13.991 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -21.737 1.302 -13.393 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -21.187 1.873 -14.956 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.342 3.544 -12.402 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.875 2.905 -13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.755 4.950 -14.391 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.161 5.278 -13.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.098 5.024 -16.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.211 3.780 -15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.756 3.463 -16.023 1.00 0.00 H new ATOM 766 N GLN A 51 -24.765 2.454 -11.503 1.00 0.00 N ATOM 767 CA GLN A 51 -24.738 2.439 -10.050 1.00 0.00 C ATOM 768 C GLN A 51 -25.508 1.229 -9.517 1.00 0.00 C ATOM 769 O GLN A 51 -25.085 0.597 -8.550 1.00 0.00 O ATOM 770 CB GLN A 51 -25.300 3.742 -9.478 1.00 0.00 C ATOM 771 CG GLN A 51 -24.174 4.680 -9.040 1.00 0.00 C ATOM 772 CD GLN A 51 -23.954 4.604 -7.528 1.00 0.00 C ATOM 773 OE1 GLN A 51 -22.761 4.132 -7.177 1.00 0.00 O flip ATOM 774 NE2 GLN A 51 -24.811 4.951 -6.732 1.00 0.00 N flip ATOM 0 H GLN A 51 -25.392 3.147 -11.911 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.701 2.356 -9.726 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -25.918 4.236 -10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -25.946 3.521 -8.628 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -23.253 4.415 -9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -24.417 5.704 -9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -25.706 5.305 -7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -24.632 4.887 -5.730 1.00 0.00 H new ATOM 783 N GLN A 52 -26.624 0.943 -10.171 1.00 0.00 N ATOM 784 CA GLN A 52 -27.456 -0.180 -9.775 1.00 0.00 C ATOM 785 C GLN A 52 -26.830 -1.495 -10.242 1.00 0.00 C ATOM 786 O GLN A 52 -27.002 -2.531 -9.600 1.00 0.00 O ATOM 787 CB GLN A 52 -28.879 -0.026 -10.318 1.00 0.00 C ATOM 788 CG GLN A 52 -28.902 -0.166 -11.841 1.00 0.00 C ATOM 789 CD GLN A 52 -30.232 0.325 -12.416 1.00 0.00 C ATOM 790 OE1 GLN A 52 -30.965 -0.404 -13.064 1.00 0.00 O ATOM 791 NE2 GLN A 52 -30.501 1.599 -12.144 1.00 0.00 N ATOM 0 H GLN A 52 -26.971 1.470 -10.972 1.00 0.00 H new ATOM 0 HA GLN A 52 -27.517 -0.196 -8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -29.527 -0.780 -9.870 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -29.278 0.947 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -28.081 0.405 -12.275 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -28.745 -1.209 -12.116 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -29.843 2.153 -11.596 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -31.365 2.022 -12.484 1.00 0.00 H new ATOM 800 N THR A 53 -26.117 -1.412 -11.355 1.00 0.00 N ATOM 801 CA THR A 53 -25.464 -2.583 -11.915 1.00 0.00 C ATOM 802 C THR A 53 -24.143 -2.854 -11.192 1.00 0.00 C ATOM 803 O THR A 53 -23.707 -4.000 -11.099 1.00 0.00 O ATOM 804 CB THR A 53 -25.299 -2.358 -13.419 1.00 0.00 C ATOM 805 OG1 THR A 53 -26.610 -2.544 -13.945 1.00 0.00 O ATOM 806 CG2 THR A 53 -24.471 -3.457 -14.088 1.00 0.00 C ATOM 0 H THR A 53 -25.977 -0.552 -11.885 1.00 0.00 H new ATOM 0 HA THR A 53 -26.067 -3.479 -11.770 1.00 0.00 H new ATOM 0 HB THR A 53 -24.826 -1.391 -13.591 1.00 0.00 H new ATOM 0 HG1 THR A 53 -27.042 -1.672 -14.062 1.00 0.00 H new ATOM 0 HG21 THR A 53 -24.384 -3.249 -15.154 1.00 0.00 H new ATOM 0 HG22 THR A 53 -23.477 -3.486 -13.642 1.00 0.00 H new ATOM 0 HG23 THR A 53 -24.961 -4.420 -13.945 1.00 0.00 H new ATOM 814 N VAL A 54 -23.544 -1.780 -10.699 1.00 0.00 N ATOM 815 CA VAL A 54 -22.282 -1.888 -9.988 1.00 0.00 C ATOM 816 C VAL A 54 -22.557 -2.180 -8.511 1.00 0.00 C ATOM 817 O VAL A 54 -21.881 -3.008 -7.902 1.00 0.00 O ATOM 818 CB VAL A 54 -21.450 -0.622 -10.202 1.00 0.00 C ATOM 819 CG1 VAL A 54 -20.250 -0.587 -9.254 1.00 0.00 C ATOM 820 CG2 VAL A 54 -21.002 -0.500 -11.660 1.00 0.00 C ATOM 0 H VAL A 54 -23.909 -0.831 -10.778 1.00 0.00 H new ATOM 0 HA VAL A 54 -21.693 -2.717 -10.380 1.00 0.00 H new ATOM 0 HB VAL A 54 -22.082 0.236 -9.973 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -19.676 0.323 -9.427 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -20.601 -0.604 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -19.617 -1.455 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -20.412 0.408 -11.785 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -20.396 -1.366 -11.928 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -21.878 -0.456 -12.307 1.00 0.00 H new ATOM 830 N TYR A 55 -23.550 -1.484 -7.979 1.00 0.00 N ATOM 831 CA TYR A 55 -23.923 -1.658 -6.585 1.00 0.00 C ATOM 832 C TYR A 55 -24.890 -2.832 -6.419 1.00 0.00 C ATOM 833 O TYR A 55 -25.041 -3.366 -5.321 1.00 0.00 O ATOM 834 CB TYR A 55 -24.632 -0.367 -6.173 1.00 0.00 C ATOM 835 CG TYR A 55 -24.605 -0.094 -4.668 1.00 0.00 C ATOM 836 CD1 TYR A 55 -23.481 0.458 -4.087 1.00 0.00 C ATOM 837 CD2 TYR A 55 -25.704 -0.400 -3.891 1.00 0.00 C ATOM 838 CE1 TYR A 55 -23.455 0.714 -2.671 1.00 0.00 C ATOM 839 CE2 TYR A 55 -25.678 -0.143 -2.475 1.00 0.00 C ATOM 840 CZ TYR A 55 -24.555 0.401 -1.934 1.00 0.00 C ATOM 841 OH TYR A 55 -24.530 0.644 -0.596 1.00 0.00 O ATOM 0 H TYR A 55 -24.108 -0.798 -8.488 1.00 0.00 H new ATOM 0 HA TYR A 55 -23.043 -1.864 -5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -24.168 0.472 -6.692 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -25.669 -0.413 -6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -22.621 0.698 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -26.583 -0.832 -4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -22.582 1.145 -2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -26.531 -0.377 -1.856 1.00 0.00 H new ATOM 0 HH TYR A 55 -25.383 0.372 -0.198 1.00 0.00 H new ATOM 851 N GLY A 56 -25.519 -3.200 -7.525 1.00 0.00 N ATOM 852 CA GLY A 56 -26.467 -4.301 -7.515 1.00 0.00 C ATOM 853 C GLY A 56 -25.827 -5.571 -6.951 1.00 0.00 C ATOM 854 O GLY A 56 -26.358 -6.178 -6.022 1.00 0.00 O ATOM 0 H GLY A 56 -25.391 -2.755 -8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -27.337 -4.031 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -26.823 -4.488 -8.528 1.00 0.00 H new ATOM 858 N PRO A 57 -24.665 -5.945 -7.551 1.00 0.00 N ATOM 859 CA PRO A 57 -23.947 -7.131 -7.117 1.00 0.00 C ATOM 860 C PRO A 57 -23.223 -6.881 -5.793 1.00 0.00 C ATOM 861 O PRO A 57 -23.374 -7.649 -4.844 1.00 0.00 O ATOM 862 CB PRO A 57 -22.999 -7.457 -8.260 1.00 0.00 C ATOM 863 CG PRO A 57 -22.888 -6.184 -9.085 1.00 0.00 C ATOM 864 CD PRO A 57 -24.007 -5.250 -8.653 1.00 0.00 C ATOM 0 HA PRO A 57 -24.609 -7.972 -6.914 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -22.024 -7.764 -7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -23.382 -8.281 -8.862 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -21.917 -5.713 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -22.968 -6.410 -10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -23.616 -4.284 -8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -24.701 -5.059 -9.471 1.00 0.00 H new ATOM 872 N LEU A 58 -22.453 -5.803 -5.771 1.00 0.00 N ATOM 873 CA LEU A 58 -21.705 -5.442 -4.578 1.00 0.00 C ATOM 874 C LEU A 58 -22.595 -4.603 -3.659 1.00 0.00 C ATOM 875 O LEU A 58 -22.132 -3.635 -3.056 1.00 0.00 O ATOM 876 CB LEU A 58 -20.391 -4.756 -4.957 1.00 0.00 C ATOM 877 CG LEU A 58 -20.507 -3.315 -5.456 1.00 0.00 C ATOM 878 CD1 LEU A 58 -20.227 -2.320 -4.328 1.00 0.00 C ATOM 879 CD2 LEU A 58 -19.600 -3.079 -6.666 1.00 0.00 C ATOM 0 H LEU A 58 -22.331 -5.168 -6.560 1.00 0.00 H new ATOM 0 HA LEU A 58 -21.422 -6.335 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.734 -4.767 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.904 -5.350 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 58 -21.533 -3.149 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -20.316 -1.303 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.947 -2.470 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -19.218 -2.477 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -19.702 -2.047 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.564 -3.270 -6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.888 -3.752 -7.473 1.00 0.00 H new ATOM 891 N MET A 59 -23.855 -5.003 -3.581 1.00 0.00 N ATOM 892 CA MET A 59 -24.813 -4.299 -2.745 1.00 0.00 C ATOM 893 C MET A 59 -24.771 -4.818 -1.307 1.00 0.00 C ATOM 894 O MET A 59 -24.812 -4.036 -0.359 1.00 0.00 O ATOM 895 CB MET A 59 -26.221 -4.485 -3.314 1.00 0.00 C ATOM 896 CG MET A 59 -26.954 -3.146 -3.412 1.00 0.00 C ATOM 897 SD MET A 59 -28.612 -3.309 -2.770 1.00 0.00 S ATOM 898 CE MET A 59 -29.485 -3.727 -4.269 1.00 0.00 C ATOM 0 H MET A 59 -24.235 -5.806 -4.083 1.00 0.00 H new ATOM 0 HA MET A 59 -24.551 -3.241 -2.737 1.00 0.00 H new ATOM 0 HB2 MET A 59 -26.161 -4.944 -4.301 1.00 0.00 H new ATOM 0 HB3 MET A 59 -26.786 -5.168 -2.679 1.00 0.00 H new ATOM 0 HG2 MET A 59 -26.412 -2.384 -2.853 1.00 0.00 H new ATOM 0 HG3 MET A 59 -26.988 -2.816 -4.450 1.00 0.00 H new ATOM 0 HE1 MET A 59 -30.543 -3.865 -4.047 1.00 0.00 H new ATOM 0 HE2 MET A 59 -29.368 -2.922 -4.995 1.00 0.00 H new ATOM 0 HE3 MET A 59 -29.078 -4.650 -4.682 1.00 0.00 H new ATOM 908 N GLU A 60 -24.691 -6.136 -1.189 1.00 0.00 N ATOM 909 CA GLU A 60 -24.643 -6.769 0.118 1.00 0.00 C ATOM 910 C GLU A 60 -23.297 -6.494 0.792 1.00 0.00 C ATOM 911 O GLU A 60 -23.231 -5.770 1.783 1.00 0.00 O ATOM 912 CB GLU A 60 -24.905 -8.272 0.009 1.00 0.00 C ATOM 913 CG GLU A 60 -26.370 -8.596 0.305 1.00 0.00 C ATOM 914 CD GLU A 60 -27.247 -8.344 -0.923 1.00 0.00 C ATOM 915 OE1 GLU A 60 -27.610 -7.191 -1.200 1.00 0.00 O ATOM 916 OE2 GLU A 60 -27.550 -9.398 -1.603 1.00 0.00 O ATOM 0 H GLU A 60 -24.658 -6.782 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 60 -25.431 -6.340 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -24.647 -8.618 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -24.262 -8.808 0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -26.461 -9.638 0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -26.720 -7.986 1.138 1.00 0.00 H new ATOM 924 N TYR A 61 -22.256 -7.089 0.226 1.00 0.00 N ATOM 925 CA TYR A 61 -20.916 -6.917 0.760 1.00 0.00 C ATOM 926 C TYR A 61 -20.712 -5.494 1.285 1.00 0.00 C ATOM 927 O TYR A 61 -20.235 -5.303 2.402 1.00 0.00 O ATOM 928 CB TYR A 61 -19.961 -7.158 -0.411 1.00 0.00 C ATOM 929 CG TYR A 61 -18.495 -6.863 -0.090 1.00 0.00 C ATOM 930 CD1 TYR A 61 -18.028 -5.564 -0.125 1.00 0.00 C ATOM 931 CD2 TYR A 61 -17.638 -7.895 0.235 1.00 0.00 C ATOM 932 CE1 TYR A 61 -16.648 -5.287 0.178 1.00 0.00 C ATOM 933 CE2 TYR A 61 -16.258 -7.618 0.537 1.00 0.00 C ATOM 934 CZ TYR A 61 -15.831 -6.327 0.494 1.00 0.00 C ATOM 935 OH TYR A 61 -14.528 -6.065 0.779 1.00 0.00 O ATOM 0 H TYR A 61 -22.314 -7.690 -0.596 1.00 0.00 H new ATOM 0 HA TYR A 61 -20.743 -7.603 1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -20.050 -8.196 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -20.270 -6.537 -1.252 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -18.698 -4.756 -0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -18.003 -8.911 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -16.270 -4.276 0.155 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -15.577 -8.417 0.792 1.00 0.00 H new ATOM 0 HH TYR A 61 -14.366 -6.213 1.734 1.00 0.00 H new ATOM 945 N ILE A 62 -21.084 -4.532 0.453 1.00 0.00 N ATOM 946 CA ILE A 62 -20.948 -3.133 0.819 1.00 0.00 C ATOM 947 C ILE A 62 -21.863 -2.830 2.007 1.00 0.00 C ATOM 948 O ILE A 62 -21.441 -2.199 2.975 1.00 0.00 O ATOM 949 CB ILE A 62 -21.198 -2.235 -0.395 1.00 0.00 C ATOM 950 CG1 ILE A 62 -20.109 -1.168 -0.521 1.00 0.00 C ATOM 951 CG2 ILE A 62 -22.598 -1.622 -0.344 1.00 0.00 C ATOM 952 CD1 ILE A 62 -20.096 -0.561 -1.925 1.00 0.00 C ATOM 0 H ILE A 62 -21.479 -4.694 -0.473 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.928 -2.920 1.139 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.149 -2.852 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -20.277 -0.383 0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -19.136 -1.609 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -22.750 -0.988 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -23.343 -2.417 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.700 -1.023 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -19.313 0.195 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -19.904 -1.344 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -21.062 -0.100 -2.131 1.00 0.00 H new ATOM 964 N ALA A 63 -23.099 -3.292 1.894 1.00 0.00 N ATOM 965 CA ALA A 63 -24.078 -3.078 2.947 1.00 0.00 C ATOM 966 C ALA A 63 -23.425 -3.345 4.305 1.00 0.00 C ATOM 967 O ALA A 63 -23.627 -2.588 5.253 1.00 0.00 O ATOM 968 CB ALA A 63 -25.296 -3.970 2.700 1.00 0.00 C ATOM 0 H ALA A 63 -23.446 -3.814 1.089 1.00 0.00 H new ATOM 0 HA ALA A 63 -24.425 -2.045 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -26.030 -3.810 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -25.740 -3.721 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -24.987 -5.015 2.698 1.00 0.00 H new ATOM 974 N ASP A 64 -22.657 -4.424 4.355 1.00 0.00 N ATOM 975 CA ASP A 64 -21.975 -4.800 5.581 1.00 0.00 C ATOM 976 C ASP A 64 -20.826 -3.823 5.840 1.00 0.00 C ATOM 977 O ASP A 64 -20.632 -3.373 6.968 1.00 0.00 O ATOM 978 CB ASP A 64 -21.383 -6.207 5.473 1.00 0.00 C ATOM 979 CG ASP A 64 -21.924 -7.215 6.488 1.00 0.00 C ATOM 980 OD1 ASP A 64 -22.460 -8.270 6.118 1.00 0.00 O ATOM 981 OD2 ASP A 64 -21.775 -6.877 7.724 1.00 0.00 O ATOM 0 H ASP A 64 -22.492 -5.049 3.566 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.702 -4.776 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.571 -6.588 4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -20.301 -6.140 5.591 1.00 0.00 H new ATOM 987 N ASN A 65 -20.094 -3.524 4.777 1.00 0.00 N ATOM 988 CA ASN A 65 -18.970 -2.609 4.875 1.00 0.00 C ATOM 989 C ASN A 65 -19.459 -1.263 5.415 1.00 0.00 C ATOM 990 O ASN A 65 -18.662 -0.450 5.880 1.00 0.00 O ATOM 991 CB ASN A 65 -18.336 -2.366 3.504 1.00 0.00 C ATOM 992 CG ASN A 65 -16.889 -1.888 3.646 1.00 0.00 C ATOM 993 OD1 ASN A 65 -15.947 -2.552 3.247 1.00 0.00 O ATOM 994 ND2 ASN A 65 -16.767 -0.702 4.236 1.00 0.00 N ATOM 0 H ASN A 65 -20.258 -3.900 3.843 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.230 -3.054 5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -18.363 -3.285 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.916 -1.623 2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.842 -0.296 4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.598 -0.199 4.546 1.00 0.00 H new ATOM 1001 N ARG A 66 -20.768 -1.070 5.334 1.00 0.00 N ATOM 1002 CA ARG A 66 -21.373 0.164 5.808 1.00 0.00 C ATOM 1003 C ARG A 66 -20.579 0.723 6.991 1.00 0.00 C ATOM 1004 O ARG A 66 -20.423 1.937 7.119 1.00 0.00 O ATOM 1005 CB ARG A 66 -22.823 -0.064 6.238 1.00 0.00 C ATOM 1006 CG ARG A 66 -23.440 1.223 6.790 1.00 0.00 C ATOM 1007 CD ARG A 66 -24.771 0.937 7.489 1.00 0.00 C ATOM 1008 NE ARG A 66 -24.965 1.881 8.612 1.00 0.00 N ATOM 1009 CZ ARG A 66 -25.961 1.783 9.519 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -26.863 0.782 9.441 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -26.040 2.683 10.482 1.00 0.00 N ATOM 0 H ARG A 66 -21.426 -1.747 4.948 1.00 0.00 H new ATOM 0 HA ARG A 66 -21.358 0.879 4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -23.407 -0.416 5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -22.862 -0.845 6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -22.749 1.690 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -23.597 1.933 5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -25.592 1.031 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -24.784 -0.088 7.858 1.00 0.00 H new ATOM 0 HE ARG A 66 -24.306 2.653 8.707 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -26.796 0.092 8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -27.612 0.716 10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -25.355 3.437 10.533 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -26.786 2.624 11.175 1.00 0.00 H new ATOM 1024 N ILE A 67 -20.099 -0.188 7.824 1.00 0.00 N ATOM 1025 CA ILE A 67 -19.326 0.200 8.992 1.00 0.00 C ATOM 1026 C ILE A 67 -18.453 1.407 8.642 1.00 0.00 C ATOM 1027 O ILE A 67 -18.223 2.276 9.482 1.00 0.00 O ATOM 1028 CB ILE A 67 -18.537 -0.994 9.532 1.00 0.00 C ATOM 1029 CG1 ILE A 67 -17.705 -1.648 8.426 1.00 0.00 C ATOM 1030 CG2 ILE A 67 -19.463 -1.997 10.222 1.00 0.00 C ATOM 1031 CD1 ILE A 67 -16.929 -2.852 8.963 1.00 0.00 C ATOM 0 H ILE A 67 -20.230 -1.194 7.714 1.00 0.00 H new ATOM 0 HA ILE A 67 -19.987 0.508 9.802 1.00 0.00 H new ATOM 0 HB ILE A 67 -17.840 -0.629 10.286 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -18.359 -1.965 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -17.010 -0.919 8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -18.876 -2.836 10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -19.972 -1.510 11.054 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -20.202 -2.361 9.508 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -16.346 -3.298 8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -16.259 -2.527 9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -17.628 -3.590 9.356 1.00 0.00 H new ATOM 1043 N HIS A 68 -17.989 1.422 7.401 1.00 0.00 N ATOM 1044 CA HIS A 68 -17.146 2.508 6.930 1.00 0.00 C ATOM 1045 C HIS A 68 -17.822 3.206 5.749 1.00 0.00 C ATOM 1046 O HIS A 68 -19.047 3.310 5.701 1.00 0.00 O ATOM 1047 CB HIS A 68 -15.743 2.000 6.595 1.00 0.00 C ATOM 1048 CG HIS A 68 -15.209 0.980 7.572 1.00 0.00 C ATOM 1049 ND1 HIS A 68 -15.341 1.114 8.943 1.00 0.00 N ATOM 1050 CD2 HIS A 68 -14.544 -0.192 7.362 1.00 0.00 C ATOM 1051 CE1 HIS A 68 -14.775 0.066 9.523 1.00 0.00 C ATOM 1052 NE2 HIS A 68 -14.281 -0.743 8.541 1.00 0.00 N ATOM 0 H HIS A 68 -18.181 0.699 6.707 1.00 0.00 H new ATOM 0 HA HIS A 68 -17.022 3.247 7.721 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.756 1.561 5.598 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.059 2.848 6.561 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.277 -0.602 6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.715 -0.116 10.586 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -13.791 -1.625 8.689 1.00 0.00 H new ATOM 1060 N ALA A 69 -16.994 3.668 4.823 1.00 0.00 N ATOM 1061 CA ALA A 69 -17.495 4.354 3.645 1.00 0.00 C ATOM 1062 C ALA A 69 -16.712 3.887 2.416 1.00 0.00 C ATOM 1063 O ALA A 69 -15.742 4.527 2.014 1.00 0.00 O ATOM 1064 CB ALA A 69 -17.402 5.866 3.855 1.00 0.00 C ATOM 0 H ALA A 69 -15.979 3.580 4.865 1.00 0.00 H new ATOM 0 HA ALA A 69 -18.545 4.112 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -17.778 6.380 2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -17.999 6.150 4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -16.362 6.147 4.023 1.00 0.00 H new ATOM 1070 N VAL A 70 -17.163 2.775 1.853 1.00 0.00 N ATOM 1071 CA VAL A 70 -16.516 2.216 0.679 1.00 0.00 C ATOM 1072 C VAL A 70 -17.358 2.530 -0.560 1.00 0.00 C ATOM 1073 O VAL A 70 -18.255 1.767 -0.915 1.00 0.00 O ATOM 1074 CB VAL A 70 -16.279 0.717 0.876 1.00 0.00 C ATOM 1075 CG1 VAL A 70 -15.118 0.468 1.841 1.00 0.00 C ATOM 1076 CG2 VAL A 70 -17.553 0.019 1.358 1.00 0.00 C ATOM 0 H VAL A 70 -17.968 2.247 2.188 1.00 0.00 H new ATOM 0 HA VAL A 70 -15.536 2.670 0.530 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.009 0.290 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.971 -0.605 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.209 0.916 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.346 0.916 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.357 -1.045 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.867 0.451 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.343 0.154 0.619 1.00 0.00 H new ATOM 1086 N SER A 71 -17.038 3.654 -1.183 1.00 0.00 N ATOM 1087 CA SER A 71 -17.754 4.079 -2.375 1.00 0.00 C ATOM 1088 C SER A 71 -17.372 3.190 -3.560 1.00 0.00 C ATOM 1089 O SER A 71 -16.379 2.466 -3.502 1.00 0.00 O ATOM 1090 CB SER A 71 -17.465 5.546 -2.697 1.00 0.00 C ATOM 1091 OG SER A 71 -18.647 6.342 -2.669 1.00 0.00 O ATOM 0 H SER A 71 -16.293 4.284 -0.886 1.00 0.00 H new ATOM 0 HA SER A 71 -18.823 3.981 -2.185 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.746 5.940 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.004 5.617 -3.682 1.00 0.00 H new ATOM 0 HG SER A 71 -18.420 7.272 -2.878 1.00 0.00 H new ATOM 1097 N ILE A 72 -18.180 3.273 -4.606 1.00 0.00 N ATOM 1098 CA ILE A 72 -17.938 2.485 -5.803 1.00 0.00 C ATOM 1099 C ILE A 72 -18.592 3.174 -7.002 1.00 0.00 C ATOM 1100 O ILE A 72 -19.744 3.600 -6.926 1.00 0.00 O ATOM 1101 CB ILE A 72 -18.400 1.041 -5.596 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -17.252 0.059 -5.834 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -19.616 0.724 -6.468 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -16.854 -0.646 -4.536 1.00 0.00 C ATOM 0 H ILE A 72 -19.003 3.874 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 72 -16.870 2.427 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 72 -18.711 0.927 -4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -17.550 -0.681 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -16.392 0.591 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -19.924 -0.308 -6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -20.435 1.394 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -19.356 0.860 -7.518 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -16.036 -1.338 -4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.533 0.095 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -17.709 -1.197 -4.144 1.00 0.00 H new ATOM 1116 N LYS A 73 -17.830 3.262 -8.082 1.00 0.00 N ATOM 1117 CA LYS A 73 -18.321 3.891 -9.296 1.00 0.00 C ATOM 1118 C LYS A 73 -17.403 3.523 -10.464 1.00 0.00 C ATOM 1119 O LYS A 73 -16.217 3.849 -10.452 1.00 0.00 O ATOM 1120 CB LYS A 73 -18.480 5.399 -9.091 1.00 0.00 C ATOM 1121 CG LYS A 73 -19.945 5.819 -9.226 1.00 0.00 C ATOM 1122 CD LYS A 73 -20.491 6.342 -7.896 1.00 0.00 C ATOM 1123 CE LYS A 73 -21.540 7.432 -8.125 1.00 0.00 C ATOM 1124 NZ LYS A 73 -20.888 8.742 -8.341 1.00 0.00 N ATOM 0 H LYS A 73 -16.875 2.908 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 73 -19.315 3.519 -9.542 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.108 5.677 -8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -17.875 5.935 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.037 6.591 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -20.541 4.969 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.932 5.520 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.674 6.739 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -22.154 7.178 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -22.207 7.489 -7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -21.614 9.470 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -20.321 8.990 -7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -20.269 8.689 -9.175 1.00 0.00 H new ATOM 1137 N ALA A 74 -17.986 2.849 -11.444 1.00 0.00 N ATOM 1138 CA ALA A 74 -17.235 2.433 -12.616 1.00 0.00 C ATOM 1139 C ALA A 74 -17.072 3.626 -13.561 1.00 0.00 C ATOM 1140 O ALA A 74 -18.021 4.022 -14.236 1.00 0.00 O ATOM 1141 CB ALA A 74 -17.944 1.253 -13.284 1.00 0.00 C ATOM 0 H ALA A 74 -18.970 2.581 -11.451 1.00 0.00 H new ATOM 0 HA ALA A 74 -16.237 2.097 -12.334 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -17.381 0.941 -14.163 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -18.009 0.423 -12.581 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -18.948 1.554 -13.584 1.00 0.00 H new ATOM 1147 N TYR A 75 -15.861 4.164 -13.579 1.00 0.00 N ATOM 1148 CA TYR A 75 -15.561 5.303 -14.429 1.00 0.00 C ATOM 1149 C TYR A 75 -14.218 5.119 -15.139 1.00 0.00 C ATOM 1150 O TYR A 75 -13.562 4.091 -14.976 1.00 0.00 O ATOM 1151 CB TYR A 75 -15.471 6.513 -13.498 1.00 0.00 C ATOM 1152 CG TYR A 75 -16.828 7.039 -13.027 1.00 0.00 C ATOM 1153 CD1 TYR A 75 -17.857 7.202 -13.933 1.00 0.00 C ATOM 1154 CD2 TYR A 75 -17.024 7.351 -11.698 1.00 0.00 C ATOM 1155 CE1 TYR A 75 -19.134 7.697 -13.491 1.00 0.00 C ATOM 1156 CE2 TYR A 75 -18.302 7.847 -11.255 1.00 0.00 C ATOM 1157 CZ TYR A 75 -19.294 7.995 -12.173 1.00 0.00 C ATOM 1158 OH TYR A 75 -20.501 8.463 -11.756 1.00 0.00 O ATOM 0 H TYR A 75 -15.076 3.832 -13.018 1.00 0.00 H new ATOM 0 HA TYR A 75 -16.327 5.422 -15.195 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -14.875 6.244 -12.626 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.941 7.315 -14.012 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -17.704 6.958 -14.974 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -16.219 7.223 -10.989 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -19.947 7.829 -14.190 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -18.468 8.096 -10.217 1.00 0.00 H new ATOM 0 HH TYR A 75 -20.418 9.408 -11.511 1.00 0.00 H new ATOM 1168 N THR A 76 -13.849 6.131 -15.911 1.00 0.00 N ATOM 1169 CA THR A 76 -12.596 6.093 -16.645 1.00 0.00 C ATOM 1170 C THR A 76 -11.438 6.530 -15.746 1.00 0.00 C ATOM 1171 O THR A 76 -11.638 6.826 -14.569 1.00 0.00 O ATOM 1172 CB THR A 76 -12.755 6.960 -17.896 1.00 0.00 C ATOM 1173 OG1 THR A 76 -12.371 8.264 -17.466 1.00 0.00 O ATOM 1174 CG2 THR A 76 -14.218 7.122 -18.314 1.00 0.00 C ATOM 0 H THR A 76 -14.396 6.982 -16.044 1.00 0.00 H new ATOM 0 HA THR A 76 -12.354 5.079 -16.963 1.00 0.00 H new ATOM 0 HB THR A 76 -12.189 6.519 -18.717 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.443 8.890 -18.216 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.275 7.746 -19.206 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.646 6.143 -18.528 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.777 7.593 -17.506 1.00 0.00 H new ATOM 1182 N PRO A 77 -10.220 6.556 -16.351 1.00 0.00 N ATOM 1183 CA PRO A 77 -9.029 6.952 -15.618 1.00 0.00 C ATOM 1184 C PRO A 77 -8.994 8.466 -15.404 1.00 0.00 C ATOM 1185 O PRO A 77 -8.578 8.938 -14.347 1.00 0.00 O ATOM 1186 CB PRO A 77 -7.866 6.443 -16.454 1.00 0.00 C ATOM 1187 CG PRO A 77 -8.428 6.195 -17.844 1.00 0.00 C ATOM 1188 CD PRO A 77 -9.945 6.212 -17.743 1.00 0.00 C ATOM 0 HA PRO A 77 -8.994 6.531 -14.613 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.058 7.174 -16.484 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.452 5.528 -16.031 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.083 6.962 -18.538 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.082 5.236 -18.230 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.379 6.943 -18.425 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.370 5.242 -18.003 1.00 0.00 H new ATOM 1196 N ALA A 78 -9.438 9.186 -16.424 1.00 0.00 N ATOM 1197 CA ALA A 78 -9.463 10.638 -16.362 1.00 0.00 C ATOM 1198 C ALA A 78 -10.721 11.090 -15.617 1.00 0.00 C ATOM 1199 O ALA A 78 -10.729 12.148 -14.990 1.00 0.00 O ATOM 1200 CB ALA A 78 -9.385 11.212 -17.778 1.00 0.00 C ATOM 0 H ALA A 78 -9.783 8.791 -17.299 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.601 11.014 -15.811 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.404 12.301 -17.731 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.460 10.885 -18.253 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.236 10.859 -18.361 1.00 0.00 H new ATOM 1206 N GLU A 79 -11.754 10.266 -15.711 1.00 0.00 N ATOM 1207 CA GLU A 79 -13.014 10.568 -15.055 1.00 0.00 C ATOM 1208 C GLU A 79 -12.782 10.865 -13.572 1.00 0.00 C ATOM 1209 O GLU A 79 -13.436 11.737 -13.000 1.00 0.00 O ATOM 1210 CB GLU A 79 -14.014 9.424 -15.234 1.00 0.00 C ATOM 1211 CG GLU A 79 -15.368 9.776 -14.616 1.00 0.00 C ATOM 1212 CD GLU A 79 -16.063 10.883 -15.411 1.00 0.00 C ATOM 1213 OE1 GLU A 79 -15.692 12.060 -15.290 1.00 0.00 O ATOM 1214 OE2 GLU A 79 -17.020 10.484 -16.179 1.00 0.00 O ATOM 0 H GLU A 79 -11.744 9.389 -16.232 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.440 11.456 -15.522 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.140 9.209 -16.295 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.623 8.519 -14.770 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.001 8.889 -14.590 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.228 10.098 -13.584 1.00 0.00 H new ATOM 1222 N TRP A 80 -11.850 10.124 -12.991 1.00 0.00 N ATOM 1223 CA TRP A 80 -11.524 10.298 -11.586 1.00 0.00 C ATOM 1224 C TRP A 80 -11.038 11.735 -11.387 1.00 0.00 C ATOM 1225 O TRP A 80 -11.771 12.576 -10.871 1.00 0.00 O ATOM 1226 CB TRP A 80 -10.506 9.253 -11.126 1.00 0.00 C ATOM 1227 CG TRP A 80 -10.847 8.597 -9.787 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -10.527 7.367 -9.365 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -11.594 9.192 -8.704 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -11.010 7.125 -8.095 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -11.679 8.271 -7.680 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -12.178 10.466 -8.594 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -12.341 8.526 -6.473 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -12.835 10.706 -7.381 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -12.930 9.789 -6.341 1.00 0.00 C ATOM 0 H TRP A 80 -11.310 9.402 -13.468 1.00 0.00 H new ATOM 0 HA TRP A 80 -12.405 10.140 -10.964 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -10.427 8.478 -11.888 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.527 9.725 -11.048 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -9.962 6.653 -9.946 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -10.897 6.264 -7.560 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -12.124 11.202 -9.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -12.394 7.788 -5.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -13.300 11.671 -7.244 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -13.456 10.050 -5.435 1.00 0.00 H new ATOM 1246 N ALA A 81 -9.804 11.971 -11.808 1.00 0.00 N ATOM 1247 CA ALA A 81 -9.210 13.291 -11.682 1.00 0.00 C ATOM 1248 C ALA A 81 -10.276 14.353 -11.965 1.00 0.00 C ATOM 1249 O ALA A 81 -10.465 15.274 -11.171 1.00 0.00 O ATOM 1250 CB ALA A 81 -8.011 13.404 -12.626 1.00 0.00 C ATOM 0 H ALA A 81 -9.199 11.270 -12.237 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.843 13.452 -10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.566 14.394 -12.531 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.271 12.647 -12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.341 13.251 -13.653 1.00 0.00 H new ATOM 1256 N ARG A 82 -10.943 14.189 -13.097 1.00 0.00 N ATOM 1257 CA ARG A 82 -11.984 15.122 -13.494 1.00 0.00 C ATOM 1258 C ARG A 82 -13.060 15.209 -12.410 1.00 0.00 C ATOM 1259 O ARG A 82 -13.568 16.291 -12.119 1.00 0.00 O ATOM 1260 CB ARG A 82 -12.632 14.696 -14.813 1.00 0.00 C ATOM 1261 CG ARG A 82 -13.671 15.722 -15.270 1.00 0.00 C ATOM 1262 CD ARG A 82 -14.814 15.045 -16.029 1.00 0.00 C ATOM 1263 NE ARG A 82 -15.872 16.032 -16.338 1.00 0.00 N ATOM 1264 CZ ARG A 82 -16.942 15.775 -17.120 1.00 0.00 C ATOM 1265 NH1 ARG A 82 -17.105 14.558 -17.680 1.00 0.00 N ATOM 1266 NH2 ARG A 82 -17.826 16.733 -17.329 1.00 0.00 N ATOM 0 H ARG A 82 -10.783 13.424 -13.752 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.520 16.099 -13.629 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -11.865 14.584 -15.579 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.106 13.722 -14.691 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.068 16.252 -14.405 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.196 16.466 -15.909 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.437 14.603 -16.951 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.227 14.232 -15.431 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.788 16.965 -15.935 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.417 13.824 -17.514 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.916 14.372 -18.270 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.695 17.650 -16.902 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.640 16.556 -17.917 1.00 0.00 H new ATOM 1279 N ASP A 83 -13.377 14.055 -11.841 1.00 0.00 N ATOM 1280 CA ASP A 83 -14.383 13.986 -10.796 1.00 0.00 C ATOM 1281 C ASP A 83 -13.847 14.662 -9.532 1.00 0.00 C ATOM 1282 O ASP A 83 -14.550 15.444 -8.895 1.00 0.00 O ATOM 1283 CB ASP A 83 -14.720 12.535 -10.449 1.00 0.00 C ATOM 1284 CG ASP A 83 -16.057 12.033 -10.997 1.00 0.00 C ATOM 1285 OD1 ASP A 83 -16.153 10.913 -11.521 1.00 0.00 O ATOM 1286 OD2 ASP A 83 -17.043 12.855 -10.867 1.00 0.00 O ATOM 0 H ASP A 83 -12.954 13.159 -12.085 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.280 14.487 -11.159 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.925 11.893 -10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -14.726 12.429 -9.364 1.00 0.00 H new ATOM 1292 N ARG A 84 -12.604 14.335 -9.207 1.00 0.00 N ATOM 1293 CA ARG A 84 -11.965 14.900 -8.031 1.00 0.00 C ATOM 1294 C ARG A 84 -11.657 16.382 -8.255 1.00 0.00 C ATOM 1295 O ARG A 84 -11.463 17.131 -7.298 1.00 0.00 O ATOM 1296 CB ARG A 84 -10.667 14.161 -7.701 1.00 0.00 C ATOM 1297 CG ARG A 84 -10.536 13.929 -6.194 1.00 0.00 C ATOM 1298 CD ARG A 84 -9.893 12.572 -5.902 1.00 0.00 C ATOM 1299 NE ARG A 84 -8.527 12.764 -5.364 1.00 0.00 N ATOM 1300 CZ ARG A 84 -8.250 12.960 -4.058 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -9.242 12.992 -3.144 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -6.993 13.121 -3.688 1.00 0.00 N ATOM 0 H ARG A 84 -12.023 13.686 -9.738 1.00 0.00 H new ATOM 0 HA ARG A 84 -12.655 14.791 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.646 13.204 -8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.815 14.738 -8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.935 14.723 -5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.520 13.977 -5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.501 12.019 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.853 11.976 -6.813 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.747 12.747 -6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.211 12.867 -3.438 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.023 13.141 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.249 13.096 -4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.766 13.270 -2.705 1.00 0.00 H new ATOM 1315 N LYS A 85 -11.623 16.761 -9.524 1.00 0.00 N ATOM 1316 CA LYS A 85 -11.342 18.140 -9.886 1.00 0.00 C ATOM 1317 C LYS A 85 -12.646 18.941 -9.876 1.00 0.00 C ATOM 1318 O LYS A 85 -12.623 20.170 -9.831 1.00 0.00 O ATOM 1319 CB LYS A 85 -10.592 18.203 -11.218 1.00 0.00 C ATOM 1320 CG LYS A 85 -9.086 18.357 -10.992 1.00 0.00 C ATOM 1321 CD LYS A 85 -8.330 17.116 -11.470 1.00 0.00 C ATOM 1322 CE LYS A 85 -7.959 16.213 -10.292 1.00 0.00 C ATOM 1323 NZ LYS A 85 -6.940 16.866 -9.440 1.00 0.00 N ATOM 0 H LYS A 85 -11.785 16.137 -10.314 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.679 18.599 -9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -10.787 17.297 -11.792 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.962 19.041 -11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.723 19.236 -11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.889 18.522 -9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.945 16.561 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.427 17.418 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.848 15.992 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.577 15.261 -10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.399 16.140 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.295 17.423 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.409 17.494 -8.757 1.00 0.00 H new ATOM 1336 N LEU A 86 -13.751 18.212 -9.919 1.00 0.00 N ATOM 1337 CA LEU A 86 -15.062 18.839 -9.915 1.00 0.00 C ATOM 1338 C LEU A 86 -15.393 19.312 -8.498 1.00 0.00 C ATOM 1339 O LEU A 86 -14.520 19.345 -7.632 1.00 0.00 O ATOM 1340 CB LEU A 86 -16.109 17.895 -10.509 1.00 0.00 C ATOM 1341 CG LEU A 86 -16.322 17.994 -12.021 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -17.539 17.177 -12.458 1.00 0.00 C ATOM 1343 CD2 LEU A 86 -16.422 19.455 -12.465 1.00 0.00 C ATOM 0 H LEU A 86 -13.766 17.193 -9.957 1.00 0.00 H new ATOM 0 HA LEU A 86 -15.064 19.722 -10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -15.824 16.871 -10.269 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.062 18.085 -10.015 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.452 17.565 -12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -17.668 17.265 -13.537 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -17.388 16.130 -12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -18.430 17.553 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -16.573 19.498 -13.544 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -17.263 19.932 -11.961 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -15.501 19.978 -12.207 1.00 0.00 H new ATOM 1355 N ASN A 87 -16.655 19.665 -8.306 1.00 0.00 N ATOM 1356 CA ASN A 87 -17.112 20.134 -7.009 1.00 0.00 C ATOM 1357 C ASN A 87 -17.949 19.041 -6.342 1.00 0.00 C ATOM 1358 O ASN A 87 -18.702 19.313 -5.408 1.00 0.00 O ATOM 1359 CB ASN A 87 -17.988 21.380 -7.151 1.00 0.00 C ATOM 1360 CG ASN A 87 -17.465 22.295 -8.260 1.00 0.00 C ATOM 1361 OD1 ASN A 87 -16.515 23.041 -8.088 1.00 0.00 O ATOM 1362 ND2 ASN A 87 -18.135 22.196 -9.404 1.00 0.00 N ATOM 0 H ASN A 87 -17.376 19.636 -9.027 1.00 0.00 H new ATOM 0 HA ASN A 87 -16.234 20.377 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -19.014 21.084 -7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -18.009 21.923 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -17.863 22.765 -10.205 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -18.921 21.551 -9.480 1.00 0.00 H new ATOM 1369 N GLY A 88 -17.789 17.826 -6.847 1.00 0.00 N ATOM 1370 CA GLY A 88 -18.521 16.691 -6.312 1.00 0.00 C ATOM 1371 C GLY A 88 -17.624 15.832 -5.418 1.00 0.00 C ATOM 1372 O GLY A 88 -18.103 15.188 -4.487 1.00 0.00 O ATOM 0 H GLY A 88 -17.163 17.603 -7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -19.379 17.044 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.911 16.086 -7.131 1.00 0.00 H new ATOM 1376 N PHE A 89 -16.337 15.851 -5.733 1.00 0.00 N ATOM 1377 CA PHE A 89 -15.368 15.082 -4.970 1.00 0.00 C ATOM 1378 C PHE A 89 -14.294 15.993 -4.373 1.00 0.00 C ATOM 1379 O PHE A 89 -13.387 15.522 -3.687 1.00 0.00 O ATOM 1380 CB PHE A 89 -14.707 14.104 -5.944 1.00 0.00 C ATOM 1381 CG PHE A 89 -15.445 12.771 -6.083 1.00 0.00 C ATOM 1382 CD1 PHE A 89 -15.428 11.874 -5.060 1.00 0.00 C ATOM 1383 CD2 PHE A 89 -16.118 12.482 -7.229 1.00 0.00 C ATOM 1384 CE1 PHE A 89 -16.112 10.637 -5.189 1.00 0.00 C ATOM 1385 CE2 PHE A 89 -16.802 11.245 -7.358 1.00 0.00 C ATOM 1386 CZ PHE A 89 -16.785 10.348 -6.335 1.00 0.00 C ATOM 0 H PHE A 89 -15.943 16.387 -6.506 1.00 0.00 H new ATOM 0 HA PHE A 89 -15.865 14.565 -4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -14.639 14.574 -6.925 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -13.687 13.910 -5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -14.894 12.103 -4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -16.132 13.194 -8.041 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -16.098 9.925 -4.377 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -17.336 11.016 -8.268 1.00 0.00 H new ATOM 0 HZ PHE A 89 -17.306 9.407 -6.433 1.00 0.00 H new ATOM 1396 N LEU A 90 -14.431 17.280 -4.654 1.00 0.00 N ATOM 1397 CA LEU A 90 -13.483 18.261 -4.153 1.00 0.00 C ATOM 1398 C LEU A 90 -14.247 19.471 -3.612 1.00 0.00 C ATOM 1399 O LEU A 90 -13.650 20.508 -3.324 1.00 0.00 O ATOM 1400 CB LEU A 90 -12.456 18.613 -5.231 1.00 0.00 C ATOM 1401 CG LEU A 90 -11.720 19.942 -5.048 1.00 0.00 C ATOM 1402 CD1 LEU A 90 -10.323 19.885 -5.669 1.00 0.00 C ATOM 1403 CD2 LEU A 90 -12.545 21.107 -5.598 1.00 0.00 C ATOM 0 H LEU A 90 -15.184 17.667 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 90 -12.910 17.848 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -11.716 17.814 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -12.963 18.631 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.591 20.116 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.822 20.842 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.744 19.096 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -10.407 19.676 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.999 22.039 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -12.728 20.953 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -13.497 21.160 -5.070 1.00 0.00 H new ATOM 1415 N GLU A 91 -15.555 19.300 -3.490 1.00 0.00 N ATOM 1416 CA GLU A 91 -16.406 20.365 -2.989 1.00 0.00 C ATOM 1417 C GLU A 91 -17.870 19.922 -2.994 1.00 0.00 C ATOM 1418 O GLU A 91 -18.746 20.666 -3.431 1.00 0.00 O ATOM 1419 CB GLU A 91 -16.218 21.646 -3.803 1.00 0.00 C ATOM 1420 CG GLU A 91 -16.080 22.864 -2.886 1.00 0.00 C ATOM 1421 CD GLU A 91 -14.712 23.527 -3.057 1.00 0.00 C ATOM 1422 OE1 GLU A 91 -14.030 23.290 -4.065 1.00 0.00 O ATOM 1423 OE2 GLU A 91 -14.365 24.315 -2.096 1.00 0.00 O ATOM 0 H GLU A 91 -16.046 18.439 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.116 20.581 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.331 21.556 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.068 21.784 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.867 23.584 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.213 22.559 -1.848 1.00 0.00 H new ATOM 1431 N HIS A 92 -18.091 18.711 -2.504 1.00 0.00 N ATOM 1432 CA HIS A 92 -19.434 18.160 -2.447 1.00 0.00 C ATOM 1433 C HIS A 92 -20.328 19.072 -1.604 1.00 0.00 C ATOM 1434 O HIS A 92 -19.903 20.147 -1.184 1.00 0.00 O ATOM 1435 CB HIS A 92 -19.408 16.718 -1.935 1.00 0.00 C ATOM 1436 CG HIS A 92 -18.470 16.495 -0.773 1.00 0.00 C ATOM 1437 ND1 HIS A 92 -18.859 16.656 0.545 1.00 0.00 N ATOM 1438 CD2 HIS A 92 -17.159 16.121 -0.745 1.00 0.00 C ATOM 1439 CE1 HIS A 92 -17.820 16.390 1.323 1.00 0.00 C ATOM 1440 NE2 HIS A 92 -16.767 16.059 0.522 1.00 0.00 N ATOM 0 H HIS A 92 -17.362 18.096 -2.143 1.00 0.00 H new ATOM 0 HA HIS A 92 -19.858 18.121 -3.451 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -20.416 16.432 -1.635 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -19.120 16.058 -2.753 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -16.544 15.911 -1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -17.809 16.429 2.402 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.833 15.806 0.843 1.00 0.00 H new ATOM 1448 N HIS A 93 -21.549 18.608 -1.382 1.00 0.00 N ATOM 1449 CA HIS A 93 -22.506 19.369 -0.597 1.00 0.00 C ATOM 1450 C HIS A 93 -23.318 18.418 0.285 1.00 0.00 C ATOM 1451 O HIS A 93 -23.214 18.460 1.510 1.00 0.00 O ATOM 1452 CB HIS A 93 -23.386 20.234 -1.502 1.00 0.00 C ATOM 1453 CG HIS A 93 -24.147 21.313 -0.769 1.00 0.00 C ATOM 1454 ND1 HIS A 93 -23.547 22.168 0.139 1.00 0.00 N ATOM 1455 CD2 HIS A 93 -25.463 21.667 -0.820 1.00 0.00 C ATOM 1456 CE1 HIS A 93 -24.470 22.995 0.608 1.00 0.00 C ATOM 1457 NE2 HIS A 93 -25.657 22.682 0.012 1.00 0.00 N ATOM 0 H HIS A 93 -21.897 17.715 -1.732 1.00 0.00 H new ATOM 0 HA HIS A 93 -21.976 20.057 0.062 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -22.760 20.699 -2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -24.097 19.592 -2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -26.219 21.200 -1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -24.311 23.779 1.334 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -26.547 23.151 0.179 1.00 0.00 H new ATOM 1465 N HIS A 94 -24.108 17.582 -0.372 1.00 0.00 N ATOM 1466 CA HIS A 94 -24.937 16.621 0.336 1.00 0.00 C ATOM 1467 C HIS A 94 -25.551 17.286 1.570 1.00 0.00 C ATOM 1468 O HIS A 94 -25.137 17.016 2.696 1.00 0.00 O ATOM 1469 CB HIS A 94 -24.138 15.362 0.677 1.00 0.00 C ATOM 1470 CG HIS A 94 -24.966 14.256 1.288 1.00 0.00 C ATOM 1471 ND1 HIS A 94 -24.414 13.074 1.750 1.00 0.00 N ATOM 1472 CD2 HIS A 94 -26.309 14.166 1.508 1.00 0.00 C ATOM 1473 CE1 HIS A 94 -25.390 12.314 2.224 1.00 0.00 C ATOM 1474 NE2 HIS A 94 -26.564 12.992 2.073 1.00 0.00 N ATOM 0 H HIS A 94 -24.192 17.550 -1.388 1.00 0.00 H new ATOM 0 HA HIS A 94 -25.756 16.298 -0.306 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -23.664 14.988 -0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -23.338 15.628 1.368 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -27.041 14.922 1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -25.276 11.330 2.655 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -27.486 12.653 2.349 1.00 0.00 H new ATOM 1482 N HIS A 95 -26.529 18.142 1.315 1.00 0.00 N ATOM 1483 CA HIS A 95 -27.205 18.847 2.391 1.00 0.00 C ATOM 1484 C HIS A 95 -28.578 18.218 2.634 1.00 0.00 C ATOM 1485 O HIS A 95 -28.866 17.754 3.737 1.00 0.00 O ATOM 1486 CB HIS A 95 -27.285 20.346 2.093 1.00 0.00 C ATOM 1487 CG HIS A 95 -27.128 21.224 3.311 1.00 0.00 C ATOM 1488 ND1 HIS A 95 -28.005 22.251 3.613 1.00 0.00 N ATOM 1489 CD2 HIS A 95 -26.188 21.217 4.300 1.00 0.00 C ATOM 1490 CE1 HIS A 95 -27.601 22.830 4.735 1.00 0.00 C ATOM 1491 NE2 HIS A 95 -26.474 22.188 5.158 1.00 0.00 N ATOM 0 H HIS A 95 -26.870 18.364 0.379 1.00 0.00 H new ATOM 0 HA HIS A 95 -26.630 18.748 3.312 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -26.511 20.604 1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -28.245 20.562 1.624 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -25.353 20.536 4.372 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -28.080 23.663 5.228 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -25.939 22.417 5.996 1.00 0.00 H new ATOM 1499 N HIS A 96 -29.389 18.221 1.587 1.00 0.00 N ATOM 1500 CA HIS A 96 -30.725 17.656 1.673 1.00 0.00 C ATOM 1501 C HIS A 96 -30.708 16.218 1.152 1.00 0.00 C ATOM 1502 O HIS A 96 -29.985 15.904 0.208 1.00 0.00 O ATOM 1503 CB HIS A 96 -31.737 18.540 0.941 1.00 0.00 C ATOM 1504 CG HIS A 96 -32.864 19.036 1.814 1.00 0.00 C ATOM 1505 ND1 HIS A 96 -32.806 20.234 2.505 1.00 0.00 N ATOM 1506 CD2 HIS A 96 -34.078 18.485 2.101 1.00 0.00 C ATOM 1507 CE1 HIS A 96 -33.939 20.386 3.175 1.00 0.00 C ATOM 1508 NE2 HIS A 96 -34.726 19.301 2.924 1.00 0.00 N ATOM 0 H HIS A 96 -29.147 18.606 0.674 1.00 0.00 H new ATOM 0 HA HIS A 96 -31.044 17.625 2.715 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -31.215 19.398 0.517 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -32.158 17.979 0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -34.450 17.544 1.723 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -34.194 21.222 3.809 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -35.659 19.142 3.306 1.00 0.00 H new ATOM 1516 N HIS A 97 -31.514 15.382 1.790 1.00 0.00 N ATOM 1517 CA HIS A 97 -31.601 13.984 1.403 1.00 0.00 C ATOM 1518 C HIS A 97 -32.170 13.878 -0.013 1.00 0.00 C ATOM 1519 O HIS A 97 -31.755 13.020 -0.790 1.00 0.00 O ATOM 1520 CB HIS A 97 -32.409 13.186 2.428 1.00 0.00 C ATOM 1521 CG HIS A 97 -33.849 13.624 2.551 1.00 0.00 C ATOM 1522 ND1 HIS A 97 -34.702 14.151 1.626 1.00 0.00 N flip ATOM 1523 CD2 HIS A 97 -34.560 13.539 3.735 1.00 0.00 C flip ATOM 1524 CE1 HIS A 97 -35.871 14.375 2.213 1.00 0.00 C flip ATOM 1525 NE2 HIS A 97 -35.785 13.997 3.521 1.00 0.00 N flip ATOM 0 H HIS A 97 -32.113 15.646 2.572 1.00 0.00 H new ATOM 0 HA HIS A 97 -30.604 13.544 1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -32.383 12.131 2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -31.929 13.274 3.402 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -34.181 13.163 4.674 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -36.746 14.788 1.734 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -36.532 14.056 4.213 1.00 0.00 H new TER 1533 HIS A 97