USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 993 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 31 TYR OH : rot -109:sc= 0.864 USER MOD Set 1.2: A 82 TYR OH : rot 141:sc= 0.763 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -167:sc= 1.16 (180deg=0) USER MOD Set 2.2: A 26 THR OG1 : rot 122:sc= 0.942 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 172:sc= 2.08 (180deg=1.02) USER MOD Set 3.2: A 49 ASN : amide:sc= 0.734 K(o=2.8,f=-5.5!) USER MOD Single : A 1 LYS N :NH3+ -136:sc= -0.0673 (180deg=-0.424) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00959 X(o=-0.0096,f=0) USER MOD Single : A 9 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.023) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0499) USER MOD Single : A 19 SER OG : rot 35:sc= 0.852 USER MOD Single : A 23 THR OG1 : rot -66:sc= 1.04 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.704 K(o=0.7,f=-3!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 41 THR OG1 : rot 72:sc= 1.03 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -137:sc= 0.781 (180deg=-0.362) USER MOD Single : A 57 THR OG1 : rot 130:sc= 0.0156 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= -0.0399 (180deg=-0.249) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -173:sc=-0.000972 (180deg=-0.113) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.84) USER MOD Single : A 84 THR OG1 : rot 75:sc= 1.29 USER MOD Single : A 87 MET CE :methyl 153:sc= -1.15 (180deg=-1.84) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.015) USER MOD Single : A 93 GLN : amide:sc=-0.00652 K(o=-0.0065,f=-3!) USER MOD Single : A 94 LYS NZ :NH3+ -174:sc=-0.00851 (180deg=-0.0823) USER MOD Single : A 95 MET CE :methyl 179:sc= -7.05! (180deg=-7.15!) USER MOD Single : A 99 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.3!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc=-0.00709 X(o=-0.0071,f=-0.0071) USER MOD Single : A 114 HIS : no HD1:sc= -0.0427 X(o=-0.043,f=-0.18) USER MOD Single : A 115 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0.815 K(o=0.82,f=-5.1!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -25.465 -7.125 -20.814 1.00 0.00 N ATOM 2 CA LYS A 1 -24.733 -6.090 -20.048 1.00 0.00 C ATOM 3 C LYS A 1 -24.627 -4.815 -20.873 1.00 0.00 C ATOM 4 O LYS A 1 -24.739 -4.853 -22.099 1.00 0.00 O ATOM 5 CB LYS A 1 -23.329 -6.577 -19.686 1.00 0.00 C ATOM 6 CG LYS A 1 -23.309 -7.858 -18.874 1.00 0.00 C ATOM 7 CD LYS A 1 -21.892 -8.375 -18.701 1.00 0.00 C ATOM 8 CE LYS A 1 -21.875 -9.793 -18.155 1.00 0.00 C ATOM 9 NZ LYS A 1 -22.350 -9.867 -16.749 1.00 0.00 N ATOM 0 H1 LYS A 1 -26.151 -7.598 -20.191 1.00 0.00 H new ATOM 0 H2 LYS A 1 -25.968 -6.679 -21.607 1.00 0.00 H new ATOM 0 H3 LYS A 1 -24.791 -7.826 -21.182 1.00 0.00 H new ATOM 0 HA LYS A 1 -25.284 -5.889 -19.129 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -22.762 -6.732 -20.604 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -22.818 -5.795 -19.124 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -23.756 -7.679 -17.896 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -23.918 -8.615 -19.369 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -21.375 -8.348 -19.660 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -21.345 -7.718 -18.025 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -22.502 -10.427 -18.781 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -20.861 -10.190 -18.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -22.319 -10.854 -16.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -21.737 -9.284 -16.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -23.327 -9.515 -16.694 1.00 0.00 H new ATOM 25 N SER A 2 -24.411 -3.695 -20.201 1.00 0.00 N ATOM 26 CA SER A 2 -24.251 -2.419 -20.879 1.00 0.00 C ATOM 27 C SER A 2 -22.792 -2.213 -21.279 1.00 0.00 C ATOM 28 O SER A 2 -21.905 -2.918 -20.788 1.00 0.00 O ATOM 29 CB SER A 2 -24.744 -1.278 -19.982 1.00 0.00 C ATOM 30 OG SER A 2 -24.225 -1.394 -18.667 1.00 0.00 O ATOM 0 H SER A 2 -24.342 -3.644 -19.185 1.00 0.00 H new ATOM 0 HA SER A 2 -24.854 -2.421 -21.787 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.445 -0.321 -20.410 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.833 -1.285 -19.947 1.00 0.00 H new ATOM 0 HG SER A 2 -24.555 -0.652 -18.118 1.00 0.00 H new ATOM 36 N VAL A 3 -22.553 -1.270 -22.183 1.00 0.00 N ATOM 37 CA VAL A 3 -21.208 -1.001 -22.677 1.00 0.00 C ATOM 38 C VAL A 3 -20.284 -0.552 -21.549 1.00 0.00 C ATOM 39 O VAL A 3 -19.296 -1.224 -21.238 1.00 0.00 O ATOM 40 CB VAL A 3 -21.214 0.082 -23.781 1.00 0.00 C ATOM 41 CG1 VAL A 3 -19.815 0.295 -24.337 1.00 0.00 C ATOM 42 CG2 VAL A 3 -22.178 -0.286 -24.897 1.00 0.00 C ATOM 0 H VAL A 3 -23.276 -0.677 -22.590 1.00 0.00 H new ATOM 0 HA VAL A 3 -20.838 -1.936 -23.097 1.00 0.00 H new ATOM 0 HB VAL A 3 -21.551 1.016 -23.332 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -19.844 1.061 -25.112 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -19.150 0.615 -23.535 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.447 -0.638 -24.763 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -22.164 0.491 -25.661 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -21.877 -1.235 -25.340 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -23.186 -0.378 -24.492 1.00 0.00 H new ATOM 52 N GLN A 4 -20.610 0.576 -20.935 1.00 0.00 N ATOM 53 CA GLN A 4 -19.770 1.137 -19.887 1.00 0.00 C ATOM 54 C GLN A 4 -20.149 0.590 -18.520 1.00 0.00 C ATOM 55 O GLN A 4 -21.320 0.602 -18.134 1.00 0.00 O ATOM 56 CB GLN A 4 -19.867 2.662 -19.881 1.00 0.00 C ATOM 57 CG GLN A 4 -19.374 3.303 -21.165 1.00 0.00 C ATOM 58 CD GLN A 4 -19.370 4.816 -21.093 1.00 0.00 C ATOM 59 OE1 GLN A 4 -20.182 5.420 -20.388 1.00 0.00 O ATOM 60 NE2 GLN A 4 -18.462 5.439 -21.822 1.00 0.00 N ATOM 0 H GLN A 4 -21.448 1.119 -21.144 1.00 0.00 H new ATOM 0 HA GLN A 4 -18.741 0.845 -20.099 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -20.904 2.952 -19.714 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.288 3.052 -19.044 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.365 2.950 -21.380 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -20.007 2.983 -21.993 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.809 4.901 -22.392 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.414 6.458 -21.815 1.00 0.00 H new ATOM 69 N GLU A 5 -19.152 0.101 -17.797 1.00 0.00 N ATOM 70 CA GLU A 5 -19.349 -0.355 -16.431 1.00 0.00 C ATOM 71 C GLU A 5 -19.551 0.839 -15.511 1.00 0.00 C ATOM 72 O GLU A 5 -19.131 1.953 -15.826 1.00 0.00 O ATOM 73 CB GLU A 5 -18.146 -1.170 -15.954 1.00 0.00 C ATOM 74 CG GLU A 5 -17.936 -2.466 -16.717 1.00 0.00 C ATOM 75 CD GLU A 5 -16.698 -3.207 -16.258 1.00 0.00 C ATOM 76 OE1 GLU A 5 -16.747 -3.858 -15.191 1.00 0.00 O ATOM 77 OE2 GLU A 5 -15.665 -3.141 -16.958 1.00 0.00 O ATOM 0 H GLU A 5 -18.195 0.010 -18.137 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.235 -0.990 -16.405 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.248 -0.559 -16.043 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.272 -1.400 -14.896 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.809 -3.106 -16.589 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.853 -2.249 -17.782 1.00 0.00 H new ATOM 84 N LYS A 6 -20.187 0.611 -14.377 1.00 0.00 N ATOM 85 CA LYS A 6 -20.432 1.679 -13.426 1.00 0.00 C ATOM 86 C LYS A 6 -19.155 1.988 -12.664 1.00 0.00 C ATOM 87 O LYS A 6 -18.783 3.150 -12.495 1.00 0.00 O ATOM 88 CB LYS A 6 -21.539 1.280 -12.450 1.00 0.00 C ATOM 89 CG LYS A 6 -22.769 0.704 -13.128 1.00 0.00 C ATOM 90 CD LYS A 6 -23.862 0.403 -12.122 1.00 0.00 C ATOM 91 CE LYS A 6 -24.966 -0.441 -12.734 1.00 0.00 C ATOM 92 NZ LYS A 6 -26.081 -0.675 -11.781 1.00 0.00 N ATOM 0 H LYS A 6 -20.542 -0.302 -14.092 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.752 2.568 -13.969 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -21.145 0.546 -11.747 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -21.831 2.154 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.140 1.409 -13.872 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -22.500 -0.209 -13.660 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -23.436 -0.120 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -24.282 1.337 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -25.349 0.055 -13.626 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -24.555 -1.399 -13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -26.813 -1.255 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.721 -1.171 -10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -26.491 0.237 -11.495 1.00 0.00 H new ATOM 106 N ARG A 7 -18.473 0.920 -12.250 1.00 0.00 N ATOM 107 CA ARG A 7 -17.263 1.015 -11.439 1.00 0.00 C ATOM 108 C ARG A 7 -17.512 1.887 -10.216 1.00 0.00 C ATOM 109 O ARG A 7 -16.992 3.000 -10.118 1.00 0.00 O ATOM 110 CB ARG A 7 -16.076 1.570 -12.237 1.00 0.00 C ATOM 111 CG ARG A 7 -15.826 0.869 -13.560 1.00 0.00 C ATOM 112 CD ARG A 7 -14.478 1.254 -14.151 1.00 0.00 C ATOM 113 NE ARG A 7 -14.224 2.695 -14.082 1.00 0.00 N ATOM 114 CZ ARG A 7 -13.743 3.421 -15.090 1.00 0.00 C ATOM 115 NH1 ARG A 7 -13.524 2.864 -16.274 1.00 0.00 N ATOM 116 NH2 ARG A 7 -13.479 4.708 -14.905 1.00 0.00 N ATOM 0 H ARG A 7 -18.747 -0.038 -12.469 1.00 0.00 H new ATOM 0 HA ARG A 7 -17.009 0.004 -11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.246 2.630 -12.428 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.177 1.497 -11.625 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.865 -0.210 -13.414 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.619 1.124 -14.263 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -13.688 0.724 -13.620 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -14.436 0.931 -15.191 1.00 0.00 H new ATOM 0 HE ARG A 7 -14.429 3.174 -13.205 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -13.724 1.874 -16.417 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.156 3.426 -17.042 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.644 5.137 -13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -13.111 5.269 -15.673 1.00 0.00 H new ATOM 130 N ASN A 8 -18.342 1.397 -9.304 1.00 0.00 N ATOM 131 CA ASN A 8 -18.643 2.134 -8.083 1.00 0.00 C ATOM 132 C ASN A 8 -17.407 2.199 -7.201 1.00 0.00 C ATOM 133 O ASN A 8 -17.021 1.211 -6.576 1.00 0.00 O ATOM 134 CB ASN A 8 -19.806 1.487 -7.322 1.00 0.00 C ATOM 135 CG ASN A 8 -20.191 2.259 -6.069 1.00 0.00 C ATOM 136 OD1 ASN A 8 -20.978 3.201 -6.125 1.00 0.00 O ATOM 137 ND2 ASN A 8 -19.656 1.853 -4.925 1.00 0.00 N ATOM 0 H ASN A 8 -18.816 0.498 -9.385 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.942 3.146 -8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.672 1.417 -7.981 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -19.532 0.469 -7.046 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.895 2.327 -4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -19.006 1.067 -4.917 1.00 0.00 H new ATOM 144 N ASN A 9 -16.777 3.359 -7.174 1.00 0.00 N ATOM 145 CA ASN A 9 -15.534 3.537 -6.442 1.00 0.00 C ATOM 146 C ASN A 9 -15.781 4.242 -5.119 1.00 0.00 C ATOM 147 O ASN A 9 -16.159 5.414 -5.087 1.00 0.00 O ATOM 148 CB ASN A 9 -14.523 4.328 -7.279 1.00 0.00 C ATOM 149 CG ASN A 9 -14.051 3.574 -8.512 1.00 0.00 C ATOM 150 OD1 ASN A 9 -13.784 4.173 -9.553 1.00 0.00 O ATOM 151 ND2 ASN A 9 -13.929 2.258 -8.405 1.00 0.00 N ATOM 0 H ASN A 9 -17.107 4.197 -7.653 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.122 2.549 -6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.974 5.271 -7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.661 4.575 -6.659 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.605 1.709 -9.201 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.159 1.794 -7.526 1.00 0.00 H new ATOM 158 N THR A 10 -15.591 3.516 -4.034 1.00 0.00 N ATOM 159 CA THR A 10 -15.686 4.083 -2.705 1.00 0.00 C ATOM 160 C THR A 10 -14.305 4.509 -2.227 1.00 0.00 C ATOM 161 O THR A 10 -13.297 4.158 -2.845 1.00 0.00 O ATOM 162 CB THR A 10 -16.282 3.062 -1.721 1.00 0.00 C ATOM 163 OG1 THR A 10 -15.660 1.784 -1.916 1.00 0.00 O ATOM 164 CG2 THR A 10 -17.787 2.937 -1.913 1.00 0.00 C ATOM 0 H THR A 10 -15.367 2.521 -4.050 1.00 0.00 H new ATOM 0 HA THR A 10 -16.342 4.952 -2.745 1.00 0.00 H new ATOM 0 HB THR A 10 -16.093 3.410 -0.705 1.00 0.00 H new ATOM 0 HG1 THR A 10 -16.040 1.136 -1.287 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.185 2.209 -1.206 1.00 0.00 H new ATOM 0 HG22 THR A 10 -18.257 3.905 -1.741 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.998 2.607 -2.930 1.00 0.00 H new ATOM 172 N ARG A 11 -14.247 5.256 -1.135 1.00 0.00 N ATOM 173 CA ARG A 11 -12.967 5.675 -0.582 1.00 0.00 C ATOM 174 C ARG A 11 -12.374 4.567 0.281 1.00 0.00 C ATOM 175 O ARG A 11 -12.100 4.752 1.465 1.00 0.00 O ATOM 176 CB ARG A 11 -13.115 6.968 0.220 1.00 0.00 C ATOM 177 CG ARG A 11 -13.520 8.162 -0.630 1.00 0.00 C ATOM 178 CD ARG A 11 -13.688 9.410 0.218 1.00 0.00 C ATOM 179 NE ARG A 11 -14.694 9.225 1.260 1.00 0.00 N ATOM 180 CZ ARG A 11 -14.878 10.066 2.276 1.00 0.00 C ATOM 181 NH1 ARG A 11 -14.124 11.155 2.383 1.00 0.00 N ATOM 182 NH2 ARG A 11 -15.815 9.820 3.180 1.00 0.00 N ATOM 0 H ARG A 11 -15.063 5.582 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.284 5.871 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.859 6.819 1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.170 7.189 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.765 8.339 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.454 7.943 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.734 9.670 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.974 10.247 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.293 8.401 1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.404 11.347 1.687 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.265 11.799 3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.396 8.986 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.955 10.465 3.958 1.00 0.00 H new ATOM 196 N ALA A 12 -12.202 3.405 -0.330 1.00 0.00 N ATOM 197 CA ALA A 12 -11.574 2.275 0.325 1.00 0.00 C ATOM 198 C ALA A 12 -10.186 2.077 -0.249 1.00 0.00 C ATOM 199 O ALA A 12 -9.991 2.192 -1.459 1.00 0.00 O ATOM 200 CB ALA A 12 -12.414 1.021 0.154 1.00 0.00 C ATOM 0 H ALA A 12 -12.494 3.222 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.495 2.475 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.925 0.185 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.399 1.180 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.522 0.797 -0.907 1.00 0.00 H new ATOM 206 N PHE A 13 -9.227 1.776 0.616 1.00 0.00 N ATOM 207 CA PHE A 13 -7.827 1.718 0.214 1.00 0.00 C ATOM 208 C PHE A 13 -7.609 0.746 -0.941 1.00 0.00 C ATOM 209 O PHE A 13 -6.868 1.051 -1.866 1.00 0.00 O ATOM 210 CB PHE A 13 -6.943 1.332 1.402 1.00 0.00 C ATOM 211 CG PHE A 13 -5.477 1.587 1.175 1.00 0.00 C ATOM 212 CD1 PHE A 13 -4.677 0.641 0.554 1.00 0.00 C ATOM 213 CD2 PHE A 13 -4.899 2.778 1.587 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.332 0.876 0.350 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.553 3.018 1.387 1.00 0.00 C ATOM 216 CZ PHE A 13 -2.769 2.067 0.767 1.00 0.00 C ATOM 0 H PHE A 13 -9.392 1.568 1.601 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.546 2.713 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.268 1.889 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.089 0.275 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.111 -0.292 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.508 3.527 2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.720 0.130 -0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.115 3.949 1.716 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.717 2.253 0.608 1.00 0.00 H new ATOM 226 N LYS A 14 -8.269 -0.408 -0.908 1.00 0.00 N ATOM 227 CA LYS A 14 -8.052 -1.417 -1.940 1.00 0.00 C ATOM 228 C LYS A 14 -8.671 -0.988 -3.269 1.00 0.00 C ATOM 229 O LYS A 14 -8.130 -1.276 -4.335 1.00 0.00 O ATOM 230 CB LYS A 14 -8.588 -2.793 -1.517 1.00 0.00 C ATOM 231 CG LYS A 14 -10.100 -2.880 -1.378 1.00 0.00 C ATOM 232 CD LYS A 14 -10.546 -4.334 -1.295 1.00 0.00 C ATOM 233 CE LYS A 14 -12.058 -4.470 -1.232 1.00 0.00 C ATOM 234 NZ LYS A 14 -12.601 -4.122 0.108 1.00 0.00 N ATOM 0 H LYS A 14 -8.947 -0.665 -0.191 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.974 -1.508 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.262 -3.533 -2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.135 -3.065 -0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.420 -2.344 -0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.578 -2.395 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.170 -4.877 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.105 -4.797 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.510 -3.823 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.339 -5.493 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.640 -4.098 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.299 -4.836 0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.244 -3.188 0.395 1.00 0.00 H new ATOM 248 N THR A 15 -9.792 -0.285 -3.200 1.00 0.00 N ATOM 249 CA THR A 15 -10.457 0.204 -4.396 1.00 0.00 C ATOM 250 C THR A 15 -9.655 1.348 -5.014 1.00 0.00 C ATOM 251 O THR A 15 -9.470 1.418 -6.235 1.00 0.00 O ATOM 252 CB THR A 15 -11.879 0.686 -4.062 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.539 -0.300 -3.259 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.687 0.932 -5.327 1.00 0.00 C ATOM 0 H THR A 15 -10.260 -0.041 -2.327 1.00 0.00 H new ATOM 0 HA THR A 15 -10.523 -0.614 -5.113 1.00 0.00 H new ATOM 0 HB THR A 15 -11.804 1.626 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.445 0.006 -3.044 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.688 1.272 -5.059 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.194 1.694 -5.931 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.759 0.007 -5.899 1.00 0.00 H new ATOM 262 N VAL A 16 -9.157 2.225 -4.156 1.00 0.00 N ATOM 263 CA VAL A 16 -8.350 3.352 -4.594 1.00 0.00 C ATOM 264 C VAL A 16 -6.979 2.882 -5.071 1.00 0.00 C ATOM 265 O VAL A 16 -6.419 3.429 -6.022 1.00 0.00 O ATOM 266 CB VAL A 16 -8.208 4.397 -3.469 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.260 5.516 -3.877 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.580 4.952 -3.121 1.00 0.00 C ATOM 0 H VAL A 16 -9.299 2.177 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.859 3.826 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.783 3.914 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.179 6.238 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.276 5.099 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.645 6.013 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.483 5.691 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.016 5.422 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.226 4.141 -2.785 1.00 0.00 H new ATOM 278 N ALA A 17 -6.448 1.857 -4.417 1.00 0.00 N ATOM 279 CA ALA A 17 -5.204 1.235 -4.857 1.00 0.00 C ATOM 280 C ALA A 17 -5.362 0.642 -6.251 1.00 0.00 C ATOM 281 O ALA A 17 -4.412 0.613 -7.026 1.00 0.00 O ATOM 282 CB ALA A 17 -4.754 0.165 -3.875 1.00 0.00 C ATOM 0 H ALA A 17 -6.858 1.439 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.437 2.009 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.825 -0.283 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.593 0.615 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.522 -0.605 -3.799 1.00 0.00 H new ATOM 288 N LYS A 18 -6.567 0.178 -6.570 1.00 0.00 N ATOM 289 CA LYS A 18 -6.851 -0.340 -7.903 1.00 0.00 C ATOM 290 C LYS A 18 -6.705 0.774 -8.938 1.00 0.00 C ATOM 291 O LYS A 18 -6.055 0.597 -9.967 1.00 0.00 O ATOM 292 CB LYS A 18 -8.261 -0.929 -7.970 1.00 0.00 C ATOM 293 CG LYS A 18 -8.526 -1.730 -9.237 1.00 0.00 C ATOM 294 CD LYS A 18 -10.003 -2.054 -9.392 1.00 0.00 C ATOM 295 CE LYS A 18 -10.251 -3.095 -10.477 1.00 0.00 C ATOM 296 NZ LYS A 18 -9.645 -2.715 -11.780 1.00 0.00 N ATOM 0 H LYS A 18 -7.358 0.150 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.135 -1.133 -8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.419 -1.572 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.988 -0.119 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.183 -1.165 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.950 -2.655 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.395 -2.420 -8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.550 -1.143 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.843 -4.054 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.325 -3.232 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.954 -3.383 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.948 -1.754 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.608 -2.742 -11.702 1.00 0.00 H new ATOM 310 N SER A 19 -7.302 1.927 -8.649 1.00 0.00 N ATOM 311 CA SER A 19 -7.188 3.082 -9.533 1.00 0.00 C ATOM 312 C SER A 19 -5.763 3.639 -9.526 1.00 0.00 C ATOM 313 O SER A 19 -5.301 4.206 -10.516 1.00 0.00 O ATOM 314 CB SER A 19 -8.206 4.157 -9.135 1.00 0.00 C ATOM 315 OG SER A 19 -8.382 4.201 -7.729 1.00 0.00 O ATOM 0 H SER A 19 -7.866 2.086 -7.814 1.00 0.00 H new ATOM 0 HA SER A 19 -7.409 2.762 -10.551 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.870 5.130 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.162 3.953 -9.618 1.00 0.00 H new ATOM 0 HG SER A 19 -7.530 4.006 -7.286 1.00 0.00 H new ATOM 321 N TRP A 20 -5.067 3.464 -8.410 1.00 0.00 N ATOM 322 CA TRP A 20 -3.661 3.838 -8.310 1.00 0.00 C ATOM 323 C TRP A 20 -2.824 2.936 -9.214 1.00 0.00 C ATOM 324 O TRP A 20 -1.954 3.402 -9.946 1.00 0.00 O ATOM 325 CB TRP A 20 -3.194 3.730 -6.854 1.00 0.00 C ATOM 326 CG TRP A 20 -1.738 4.031 -6.644 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.165 5.263 -6.509 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.674 3.077 -6.533 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.191 5.133 -6.321 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.516 3.800 -6.332 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.614 1.679 -6.584 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.752 3.172 -6.181 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.612 1.058 -6.435 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.780 1.804 -6.235 1.00 0.00 C ATOM 0 H TRP A 20 -5.456 3.063 -7.556 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.536 4.871 -8.635 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.785 4.413 -6.244 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.400 2.722 -6.493 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.698 6.201 -6.545 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.848 5.902 -6.194 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.510 1.096 -6.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.655 3.744 -6.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.670 -0.020 -6.473 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.723 1.290 -6.121 1.00 0.00 H new ATOM 345 N PHE A 21 -3.122 1.645 -9.170 1.00 0.00 N ATOM 346 CA PHE A 21 -2.467 0.658 -10.019 1.00 0.00 C ATOM 347 C PHE A 21 -2.761 0.938 -11.492 1.00 0.00 C ATOM 348 O PHE A 21 -1.906 0.751 -12.359 1.00 0.00 O ATOM 349 CB PHE A 21 -2.954 -0.743 -9.625 1.00 0.00 C ATOM 350 CG PHE A 21 -2.342 -1.870 -10.409 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.041 -2.276 -10.163 1.00 0.00 C ATOM 352 CD2 PHE A 21 -3.078 -2.541 -11.375 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.484 -3.326 -10.866 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.525 -3.590 -12.084 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.226 -3.983 -11.827 1.00 0.00 C ATOM 0 H PHE A 21 -3.825 1.251 -8.544 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.388 0.717 -9.879 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.745 -0.900 -8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.037 -0.782 -9.745 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.455 -1.766 -9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.096 -2.240 -11.575 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.532 -3.633 -10.664 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.107 -4.101 -12.837 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.791 -4.804 -12.378 1.00 0.00 H new ATOM 365 N ALA A 22 -3.973 1.408 -11.760 1.00 0.00 N ATOM 366 CA ALA A 22 -4.403 1.708 -13.120 1.00 0.00 C ATOM 367 C ALA A 22 -3.831 3.037 -13.613 1.00 0.00 C ATOM 368 O ALA A 22 -3.883 3.334 -14.808 1.00 0.00 O ATOM 369 CB ALA A 22 -5.922 1.730 -13.197 1.00 0.00 C ATOM 0 H ALA A 22 -4.680 1.591 -11.048 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.021 0.921 -13.770 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.231 1.955 -14.218 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.315 0.756 -12.905 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.309 2.494 -12.524 1.00 0.00 H new ATOM 375 N THR A 23 -3.301 3.841 -12.698 1.00 0.00 N ATOM 376 CA THR A 23 -2.688 5.111 -13.069 1.00 0.00 C ATOM 377 C THR A 23 -1.173 5.045 -12.928 1.00 0.00 C ATOM 378 O THR A 23 -0.471 6.031 -13.156 1.00 0.00 O ATOM 379 CB THR A 23 -3.231 6.287 -12.224 1.00 0.00 C ATOM 380 OG1 THR A 23 -3.240 5.942 -10.832 1.00 0.00 O ATOM 381 CG2 THR A 23 -4.636 6.674 -12.658 1.00 0.00 C ATOM 0 H THR A 23 -3.283 3.637 -11.699 1.00 0.00 H new ATOM 0 HA THR A 23 -2.949 5.291 -14.112 1.00 0.00 H new ATOM 0 HB THR A 23 -2.570 7.139 -12.382 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.884 5.220 -10.678 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.991 7.503 -12.046 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.623 6.976 -13.705 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.303 5.821 -12.535 1.00 0.00 H new ATOM 389 N LYS A 24 -0.669 3.879 -12.555 1.00 0.00 N ATOM 390 CA LYS A 24 0.758 3.701 -12.373 1.00 0.00 C ATOM 391 C LYS A 24 1.362 2.999 -13.580 1.00 0.00 C ATOM 392 O LYS A 24 1.150 1.804 -13.792 1.00 0.00 O ATOM 393 CB LYS A 24 1.048 2.902 -11.103 1.00 0.00 C ATOM 394 CG LYS A 24 2.240 3.426 -10.312 1.00 0.00 C ATOM 395 CD LYS A 24 1.952 4.804 -9.731 1.00 0.00 C ATOM 396 CE LYS A 24 3.082 5.292 -8.835 1.00 0.00 C ATOM 397 NZ LYS A 24 4.303 5.654 -9.602 1.00 0.00 N ATOM 0 H LYS A 24 -1.228 3.045 -12.373 1.00 0.00 H new ATOM 0 HA LYS A 24 1.213 4.686 -12.272 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.164 2.916 -10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.230 1.861 -11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.479 2.732 -9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.115 3.477 -10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.800 5.515 -10.543 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.025 4.770 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.743 6.159 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.329 4.515 -8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.103 5.766 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.519 4.902 -10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.142 6.548 -10.109 1.00 0.00 H new ATOM 411 N THR A 25 2.081 3.757 -14.384 1.00 0.00 N ATOM 412 CA THR A 25 2.763 3.215 -15.546 1.00 0.00 C ATOM 413 C THR A 25 4.271 3.371 -15.392 1.00 0.00 C ATOM 414 O THR A 25 5.024 3.310 -16.366 1.00 0.00 O ATOM 415 CB THR A 25 2.293 3.927 -16.828 1.00 0.00 C ATOM 416 OG1 THR A 25 2.225 5.344 -16.603 1.00 0.00 O ATOM 417 CG2 THR A 25 0.931 3.412 -17.268 1.00 0.00 C ATOM 0 H THR A 25 2.210 4.760 -14.253 1.00 0.00 H new ATOM 0 HA THR A 25 2.520 2.155 -15.624 1.00 0.00 H new ATOM 0 HB THR A 25 3.013 3.717 -17.619 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.927 5.791 -17.422 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.622 3.931 -18.175 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.993 2.342 -17.465 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.201 3.594 -16.479 1.00 0.00 H new ATOM 425 N THR A 26 4.703 3.559 -14.151 1.00 0.00 N ATOM 426 CA THR A 26 6.099 3.828 -13.856 1.00 0.00 C ATOM 427 C THR A 26 6.913 2.541 -13.770 1.00 0.00 C ATOM 428 O THR A 26 8.067 2.494 -14.200 1.00 0.00 O ATOM 429 CB THR A 26 6.235 4.622 -12.547 1.00 0.00 C ATOM 430 OG1 THR A 26 5.472 3.993 -11.506 1.00 0.00 O ATOM 431 CG2 THR A 26 5.764 6.056 -12.734 1.00 0.00 C ATOM 0 H THR A 26 4.099 3.529 -13.329 1.00 0.00 H new ATOM 0 HA THR A 26 6.494 4.425 -14.678 1.00 0.00 H new ATOM 0 HB THR A 26 7.288 4.635 -12.264 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.064 3.765 -10.759 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.869 6.599 -11.795 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.367 6.540 -13.502 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.718 6.058 -13.039 1.00 0.00 H new ATOM 439 N TRP A 27 6.310 1.498 -13.222 1.00 0.00 N ATOM 440 CA TRP A 27 6.961 0.201 -13.149 1.00 0.00 C ATOM 441 C TRP A 27 6.602 -0.634 -14.364 1.00 0.00 C ATOM 442 O TRP A 27 5.609 -0.363 -15.043 1.00 0.00 O ATOM 443 CB TRP A 27 6.552 -0.556 -11.882 1.00 0.00 C ATOM 444 CG TRP A 27 7.172 -0.037 -10.622 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.501 0.157 -10.383 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.488 0.320 -9.415 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.686 0.621 -9.105 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.466 0.727 -8.489 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.145 0.336 -9.029 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.143 1.145 -7.201 1.00 0.00 C ATOM 451 CZ3 TRP A 27 4.825 0.750 -7.751 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.820 1.149 -6.850 1.00 0.00 C ATOM 0 H TRP A 27 5.372 1.525 -12.822 1.00 0.00 H new ATOM 0 HA TRP A 27 8.037 0.373 -13.122 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.467 -0.513 -11.783 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.821 -1.606 -11.999 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.292 -0.028 -11.095 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.585 0.850 -8.682 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.371 0.030 -9.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.908 1.455 -6.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.790 0.766 -7.441 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.538 1.467 -5.857 1.00 0.00 H new ATOM 463 N SER A 28 7.414 -1.640 -14.641 1.00 0.00 N ATOM 464 CA SER A 28 7.105 -2.592 -15.689 1.00 0.00 C ATOM 465 C SER A 28 5.927 -3.455 -15.254 1.00 0.00 C ATOM 466 O SER A 28 5.814 -3.797 -14.076 1.00 0.00 O ATOM 467 CB SER A 28 8.326 -3.463 -15.977 1.00 0.00 C ATOM 468 OG SER A 28 9.471 -2.663 -16.229 1.00 0.00 O ATOM 0 H SER A 28 8.292 -1.817 -14.153 1.00 0.00 H new ATOM 0 HA SER A 28 6.838 -2.058 -16.601 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.517 -4.121 -15.129 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.127 -4.102 -16.838 1.00 0.00 H new ATOM 0 HG SER A 28 10.241 -3.242 -16.409 1.00 0.00 H new ATOM 474 N GLU A 29 5.060 -3.799 -16.201 1.00 0.00 N ATOM 475 CA GLU A 29 3.842 -4.555 -15.913 1.00 0.00 C ATOM 476 C GLU A 29 4.130 -5.817 -15.104 1.00 0.00 C ATOM 477 O GLU A 29 3.399 -6.133 -14.170 1.00 0.00 O ATOM 478 CB GLU A 29 3.134 -4.929 -17.210 1.00 0.00 C ATOM 479 CG GLU A 29 2.617 -3.733 -17.988 1.00 0.00 C ATOM 480 CD GLU A 29 1.936 -4.142 -19.273 1.00 0.00 C ATOM 481 OE1 GLU A 29 0.792 -4.637 -19.215 1.00 0.00 O ATOM 482 OE2 GLU A 29 2.555 -3.996 -20.348 1.00 0.00 O ATOM 0 H GLU A 29 5.179 -3.564 -17.186 1.00 0.00 H new ATOM 0 HA GLU A 29 3.197 -3.912 -15.314 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.822 -5.492 -17.840 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.299 -5.591 -16.980 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.916 -3.174 -17.369 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.446 -3.063 -18.215 1.00 0.00 H new ATOM 489 N ASP A 30 5.195 -6.527 -15.461 1.00 0.00 N ATOM 490 CA ASP A 30 5.570 -7.754 -14.757 1.00 0.00 C ATOM 491 C ASP A 30 5.847 -7.473 -13.281 1.00 0.00 C ATOM 492 O ASP A 30 5.240 -8.083 -12.396 1.00 0.00 O ATOM 493 CB ASP A 30 6.805 -8.391 -15.404 1.00 0.00 C ATOM 494 CG ASP A 30 7.210 -9.687 -14.728 1.00 0.00 C ATOM 495 OD1 ASP A 30 7.976 -9.638 -13.741 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.767 -10.764 -15.180 1.00 0.00 O ATOM 0 H ASP A 30 5.814 -6.277 -16.232 1.00 0.00 H new ATOM 0 HA ASP A 30 4.733 -8.449 -14.829 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.602 -8.582 -16.458 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.637 -7.688 -15.363 1.00 0.00 H new ATOM 501 N TYR A 31 6.744 -6.528 -13.022 1.00 0.00 N ATOM 502 CA TYR A 31 7.120 -6.189 -11.657 1.00 0.00 C ATOM 503 C TYR A 31 5.952 -5.562 -10.906 1.00 0.00 C ATOM 504 O TYR A 31 5.736 -5.841 -9.728 1.00 0.00 O ATOM 505 CB TYR A 31 8.319 -5.233 -11.641 1.00 0.00 C ATOM 506 CG TYR A 31 8.679 -4.754 -10.251 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.411 -5.556 -9.383 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.264 -3.507 -9.797 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.721 -5.127 -8.107 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.566 -3.075 -8.520 1.00 0.00 C ATOM 511 CZ TYR A 31 9.294 -3.888 -7.680 1.00 0.00 C ATOM 512 OH TYR A 31 9.590 -3.462 -6.405 1.00 0.00 O ATOM 0 H TYR A 31 7.223 -5.984 -13.740 1.00 0.00 H new ATOM 0 HA TYR A 31 7.401 -7.115 -11.156 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.181 -5.734 -12.081 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.097 -4.371 -12.270 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.743 -6.530 -9.711 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.696 -2.865 -10.454 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.296 -5.760 -7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.233 -2.105 -8.182 1.00 0.00 H new ATOM 0 HH TYR A 31 8.772 -3.452 -5.865 1.00 0.00 H new ATOM 522 N GLN A 32 5.191 -4.718 -11.591 1.00 0.00 N ATOM 523 CA GLN A 32 4.089 -4.018 -10.954 1.00 0.00 C ATOM 524 C GLN A 32 2.945 -4.984 -10.666 1.00 0.00 C ATOM 525 O GLN A 32 2.164 -4.776 -9.737 1.00 0.00 O ATOM 526 CB GLN A 32 3.611 -2.855 -11.819 1.00 0.00 C ATOM 527 CG GLN A 32 2.871 -1.790 -11.027 1.00 0.00 C ATOM 528 CD GLN A 32 2.495 -0.591 -11.869 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.268 0.360 -12.005 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.297 -0.619 -12.422 1.00 0.00 N ATOM 0 H GLN A 32 5.317 -4.504 -12.580 1.00 0.00 H new ATOM 0 HA GLN A 32 4.442 -3.608 -10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.469 -2.401 -12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.957 -3.237 -12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.968 -2.224 -10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.495 -1.463 -10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.690 -1.427 -12.283 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.978 0.167 -12.988 1.00 0.00 H new ATOM 539 N ARG A 33 2.861 -6.050 -11.456 1.00 0.00 N ATOM 540 CA ARG A 33 1.912 -7.118 -11.184 1.00 0.00 C ATOM 541 C ARG A 33 2.258 -7.743 -9.840 1.00 0.00 C ATOM 542 O ARG A 33 1.380 -8.022 -9.021 1.00 0.00 O ATOM 543 CB ARG A 33 1.953 -8.191 -12.277 1.00 0.00 C ATOM 544 CG ARG A 33 0.646 -8.956 -12.423 1.00 0.00 C ATOM 545 CD ARG A 33 0.828 -10.271 -13.172 1.00 0.00 C ATOM 546 NE ARG A 33 1.723 -10.154 -14.325 1.00 0.00 N ATOM 547 CZ ARG A 33 1.322 -10.156 -15.596 1.00 0.00 C ATOM 548 NH1 ARG A 33 0.026 -10.145 -15.897 1.00 0.00 N ATOM 549 NH2 ARG A 33 2.224 -10.158 -16.573 1.00 0.00 N ATOM 0 H ARG A 33 3.437 -6.195 -12.285 1.00 0.00 H new ATOM 0 HA ARG A 33 0.906 -6.700 -11.165 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.198 -7.720 -13.229 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.755 -8.895 -12.054 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.233 -9.157 -11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.078 -8.336 -12.951 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.223 -11.021 -12.487 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.145 -10.628 -13.509 1.00 0.00 H new ATOM 0 HE ARG A 33 2.723 -10.065 -14.143 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.671 -10.135 -15.152 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.271 -10.147 -16.873 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.219 -10.158 -16.349 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.921 -10.160 -17.547 1.00 0.00 H new ATOM 563 N SER A 34 3.556 -7.944 -9.618 1.00 0.00 N ATOM 564 CA SER A 34 4.050 -8.435 -8.342 1.00 0.00 C ATOM 565 C SER A 34 3.744 -7.439 -7.231 1.00 0.00 C ATOM 566 O SER A 34 3.424 -7.830 -6.113 1.00 0.00 O ATOM 567 CB SER A 34 5.552 -8.680 -8.415 1.00 0.00 C ATOM 568 OG SER A 34 5.885 -9.502 -9.517 1.00 0.00 O ATOM 0 H SER A 34 4.284 -7.772 -10.312 1.00 0.00 H new ATOM 0 HA SER A 34 3.546 -9.376 -8.120 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.075 -7.727 -8.498 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.891 -9.150 -7.492 1.00 0.00 H new ATOM 0 HG SER A 34 6.855 -9.641 -9.540 1.00 0.00 H new ATOM 574 N VAL A 35 3.845 -6.148 -7.549 1.00 0.00 N ATOM 575 CA VAL A 35 3.510 -5.093 -6.596 1.00 0.00 C ATOM 576 C VAL A 35 2.073 -5.251 -6.116 1.00 0.00 C ATOM 577 O VAL A 35 1.819 -5.346 -4.917 1.00 0.00 O ATOM 578 CB VAL A 35 3.697 -3.681 -7.205 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.242 -2.603 -6.228 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.150 -3.458 -7.595 1.00 0.00 C ATOM 0 H VAL A 35 4.156 -5.809 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 35 4.194 -5.192 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 35 3.079 -3.615 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.383 -1.621 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.187 -2.746 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.830 -2.670 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.263 -2.461 -8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.782 -3.549 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.447 -4.204 -8.332 1.00 0.00 H new ATOM 590 N TRP A 36 1.144 -5.310 -7.066 1.00 0.00 N ATOM 591 CA TRP A 36 -0.271 -5.470 -6.755 1.00 0.00 C ATOM 592 C TRP A 36 -0.522 -6.780 -6.005 1.00 0.00 C ATOM 593 O TRP A 36 -1.296 -6.822 -5.048 1.00 0.00 O ATOM 594 CB TRP A 36 -1.095 -5.422 -8.047 1.00 0.00 C ATOM 595 CG TRP A 36 -2.567 -5.613 -7.836 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.311 -6.689 -8.221 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.469 -4.707 -7.191 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.621 -6.511 -7.854 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.745 -5.303 -7.218 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.323 -3.454 -6.589 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.867 -4.685 -6.671 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.436 -2.843 -6.047 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.693 -3.459 -6.089 1.00 0.00 C ATOM 0 H TRP A 36 1.349 -5.249 -8.063 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.580 -4.650 -6.106 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.930 -4.462 -8.536 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.732 -6.193 -8.727 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.925 -7.555 -8.739 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.380 -7.171 -8.026 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.357 -2.973 -6.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.838 -5.156 -6.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.336 -1.873 -5.583 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.543 -2.956 -5.653 1.00 0.00 H new ATOM 614 N THR A 37 0.149 -7.840 -6.436 1.00 0.00 N ATOM 615 CA THR A 37 0.014 -9.143 -5.799 1.00 0.00 C ATOM 616 C THR A 37 0.518 -9.098 -4.355 1.00 0.00 C ATOM 617 O THR A 37 -0.143 -9.584 -3.439 1.00 0.00 O ATOM 618 CB THR A 37 0.776 -10.223 -6.590 1.00 0.00 C ATOM 619 OG1 THR A 37 0.322 -10.234 -7.952 1.00 0.00 O ATOM 620 CG2 THR A 37 0.575 -11.600 -5.977 1.00 0.00 C ATOM 0 H THR A 37 0.794 -7.823 -7.226 1.00 0.00 H new ATOM 0 HA THR A 37 -1.045 -9.400 -5.791 1.00 0.00 H new ATOM 0 HB THR A 37 1.839 -9.984 -6.554 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.769 -9.519 -8.452 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.125 -12.341 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.942 -11.598 -4.951 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.486 -11.850 -5.983 1.00 0.00 H new ATOM 628 N ARG A 38 1.682 -8.494 -4.159 1.00 0.00 N ATOM 629 CA ARG A 38 2.256 -8.338 -2.828 1.00 0.00 C ATOM 630 C ARG A 38 1.325 -7.515 -1.943 1.00 0.00 C ATOM 631 O ARG A 38 1.158 -7.805 -0.752 1.00 0.00 O ATOM 632 CB ARG A 38 3.626 -7.664 -2.930 1.00 0.00 C ATOM 633 CG ARG A 38 4.310 -7.426 -1.594 1.00 0.00 C ATOM 634 CD ARG A 38 5.688 -6.806 -1.780 1.00 0.00 C ATOM 635 NE ARG A 38 6.608 -7.710 -2.470 1.00 0.00 N ATOM 636 CZ ARG A 38 7.322 -7.380 -3.548 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.206 -6.169 -4.087 1.00 0.00 N ATOM 638 NH2 ARG A 38 8.159 -8.260 -4.083 1.00 0.00 N ATOM 0 H ARG A 38 2.251 -8.102 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 38 2.379 -9.323 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.275 -8.280 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.510 -6.708 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.694 -6.770 -0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.403 -8.370 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.595 -5.880 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.101 -6.542 -0.806 1.00 0.00 H new ATOM 0 HE ARG A 38 6.711 -8.656 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.569 -5.487 -3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.755 -5.923 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.256 -9.188 -3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.705 -8.009 -4.907 1.00 0.00 H new ATOM 652 N LEU A 39 0.715 -6.496 -2.541 1.00 0.00 N ATOM 653 CA LEU A 39 -0.233 -5.650 -1.839 1.00 0.00 C ATOM 654 C LEU A 39 -1.402 -6.468 -1.310 1.00 0.00 C ATOM 655 O LEU A 39 -1.622 -6.509 -0.113 1.00 0.00 O ATOM 656 CB LEU A 39 -0.747 -4.530 -2.747 1.00 0.00 C ATOM 657 CG LEU A 39 0.290 -3.479 -3.144 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.325 -2.451 -4.081 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.860 -2.797 -1.908 1.00 0.00 C ATOM 0 H LEU A 39 0.865 -6.238 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 39 0.289 -5.200 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.151 -4.978 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.574 -4.028 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 39 1.104 -3.981 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.427 -1.711 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.686 -2.949 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.157 -1.955 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.596 -2.052 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.055 -2.309 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.337 -3.541 -1.270 1.00 0.00 H new ATOM 671 N GLU A 40 -2.117 -7.151 -2.201 1.00 0.00 N ATOM 672 CA GLU A 40 -3.329 -7.878 -1.816 1.00 0.00 C ATOM 673 C GLU A 40 -3.038 -9.022 -0.840 1.00 0.00 C ATOM 674 O GLU A 40 -3.939 -9.491 -0.143 1.00 0.00 O ATOM 675 CB GLU A 40 -4.060 -8.415 -3.052 1.00 0.00 C ATOM 676 CG GLU A 40 -3.196 -9.276 -3.955 1.00 0.00 C ATOM 677 CD GLU A 40 -3.996 -10.023 -4.999 1.00 0.00 C ATOM 678 OE1 GLU A 40 -4.589 -9.375 -5.888 1.00 0.00 O ATOM 679 OE2 GLU A 40 -4.026 -11.270 -4.945 1.00 0.00 O ATOM 0 H GLU A 40 -1.881 -7.218 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.972 -7.163 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.922 -8.998 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.444 -7.573 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.459 -8.646 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.644 -9.992 -3.346 1.00 0.00 H new ATOM 686 N THR A 41 -1.791 -9.476 -0.789 1.00 0.00 N ATOM 687 CA THR A 41 -1.414 -10.531 0.139 1.00 0.00 C ATOM 688 C THR A 41 -1.349 -10.014 1.583 1.00 0.00 C ATOM 689 O THR A 41 -2.031 -10.536 2.468 1.00 0.00 O ATOM 690 CB THR A 41 -0.056 -11.155 -0.242 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.115 -11.690 -1.572 1.00 0.00 O ATOM 692 CG2 THR A 41 0.331 -12.261 0.730 1.00 0.00 C ATOM 0 H THR A 41 -1.030 -9.132 -1.375 1.00 0.00 H new ATOM 0 HA THR A 41 -2.187 -11.297 0.074 1.00 0.00 H new ATOM 0 HB THR A 41 0.698 -10.370 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.142 -10.955 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.292 -12.683 0.437 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.407 -11.850 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.429 -13.043 0.713 1.00 0.00 H new ATOM 700 N TYR A 42 -0.545 -8.981 1.816 1.00 0.00 N ATOM 701 CA TYR A 42 -0.293 -8.503 3.176 1.00 0.00 C ATOM 702 C TYR A 42 -1.191 -7.319 3.529 1.00 0.00 C ATOM 703 O TYR A 42 -1.595 -7.140 4.680 1.00 0.00 O ATOM 704 CB TYR A 42 1.173 -8.093 3.322 1.00 0.00 C ATOM 705 CG TYR A 42 2.159 -9.171 2.933 1.00 0.00 C ATOM 706 CD1 TYR A 42 2.467 -10.206 3.805 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.784 -9.150 1.691 1.00 0.00 C ATOM 708 CE1 TYR A 42 3.368 -11.190 3.452 1.00 0.00 C ATOM 709 CE2 TYR A 42 3.688 -10.132 1.331 1.00 0.00 C ATOM 710 CZ TYR A 42 3.977 -11.151 2.215 1.00 0.00 C ATOM 711 OH TYR A 42 4.878 -12.129 1.863 1.00 0.00 O ATOM 0 H TYR A 42 -0.058 -8.460 1.087 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.519 -9.319 3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.355 -7.211 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.357 -7.804 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.994 -10.242 4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.560 -8.354 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.596 -11.989 4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.166 -10.102 0.363 1.00 0.00 H new ATOM 0 HH TYR A 42 5.214 -11.954 0.959 1.00 0.00 H new ATOM 721 N LEU A 43 -1.500 -6.522 2.528 1.00 0.00 N ATOM 722 CA LEU A 43 -2.268 -5.301 2.703 1.00 0.00 C ATOM 723 C LEU A 43 -3.672 -5.515 2.143 1.00 0.00 C ATOM 724 O LEU A 43 -3.884 -6.458 1.385 1.00 0.00 O ATOM 725 CB LEU A 43 -1.558 -4.166 1.958 1.00 0.00 C ATOM 726 CG LEU A 43 -1.824 -2.760 2.480 1.00 0.00 C ATOM 727 CD1 LEU A 43 -1.300 -2.616 3.901 1.00 0.00 C ATOM 728 CD2 LEU A 43 -1.178 -1.728 1.564 1.00 0.00 C ATOM 0 H LEU A 43 -1.225 -6.702 1.562 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.346 -5.041 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.484 -4.349 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.853 -4.205 0.909 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.900 -2.588 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.497 -1.606 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.801 -3.336 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.226 -2.802 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.375 -0.727 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.102 -1.897 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.594 -1.821 0.561 1.00 0.00 H new ATOM 740 N PHE A 44 -4.624 -4.669 2.575 1.00 0.00 N ATOM 741 CA PHE A 44 -6.025 -4.660 2.083 1.00 0.00 C ATOM 742 C PHE A 44 -7.058 -5.331 3.020 1.00 0.00 C ATOM 743 O PHE A 44 -8.165 -4.815 3.126 1.00 0.00 O ATOM 744 CB PHE A 44 -6.181 -5.215 0.655 1.00 0.00 C ATOM 745 CG PHE A 44 -5.465 -4.417 -0.400 1.00 0.00 C ATOM 746 CD1 PHE A 44 -5.157 -3.080 -0.196 1.00 0.00 C ATOM 747 CD2 PHE A 44 -5.091 -5.011 -1.595 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.493 -2.354 -1.165 1.00 0.00 C ATOM 749 CE2 PHE A 44 -4.428 -4.290 -2.566 1.00 0.00 C ATOM 750 CZ PHE A 44 -4.127 -2.959 -2.350 1.00 0.00 C ATOM 0 H PHE A 44 -4.445 -3.960 3.286 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.258 -3.595 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.810 -6.240 0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.242 -5.255 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.439 -2.602 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.322 -6.052 -1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.260 -1.313 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.145 -4.765 -3.494 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.606 -2.393 -3.108 1.00 0.00 H new ATOM 760 N PRO A 45 -6.776 -6.464 3.714 1.00 0.00 N ATOM 761 CA PRO A 45 -7.780 -7.087 4.593 1.00 0.00 C ATOM 762 C PRO A 45 -8.255 -6.128 5.677 1.00 0.00 C ATOM 763 O PRO A 45 -9.419 -6.141 6.075 1.00 0.00 O ATOM 764 CB PRO A 45 -7.045 -8.277 5.216 1.00 0.00 C ATOM 765 CG PRO A 45 -5.927 -8.563 4.279 1.00 0.00 C ATOM 766 CD PRO A 45 -5.525 -7.235 3.710 1.00 0.00 C ATOM 0 HA PRO A 45 -8.675 -7.377 4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.675 -8.036 6.212 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.704 -9.139 5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.093 -9.036 4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.242 -9.247 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.757 -6.755 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.120 -7.336 2.703 1.00 0.00 H new ATOM 774 N ASP A 46 -7.344 -5.286 6.133 1.00 0.00 N ATOM 775 CA ASP A 46 -7.663 -4.284 7.137 1.00 0.00 C ATOM 776 C ASP A 46 -8.145 -2.998 6.479 1.00 0.00 C ATOM 777 O ASP A 46 -9.324 -2.663 6.526 1.00 0.00 O ATOM 778 CB ASP A 46 -6.437 -3.977 8.002 1.00 0.00 C ATOM 779 CG ASP A 46 -5.929 -5.185 8.759 1.00 0.00 C ATOM 780 OD1 ASP A 46 -6.448 -5.461 9.858 1.00 0.00 O ATOM 781 OD2 ASP A 46 -4.999 -5.858 8.261 1.00 0.00 O ATOM 0 H ASP A 46 -6.372 -5.276 5.822 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.457 -4.686 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.639 -3.591 7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.689 -3.189 8.712 1.00 0.00 H new ATOM 786 N ILE A 47 -7.219 -2.313 5.826 1.00 0.00 N ATOM 787 CA ILE A 47 -7.459 -0.970 5.308 1.00 0.00 C ATOM 788 C ILE A 47 -8.280 -0.975 4.022 1.00 0.00 C ATOM 789 O ILE A 47 -8.769 0.063 3.585 1.00 0.00 O ATOM 790 CB ILE A 47 -6.122 -0.253 5.045 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.326 -0.987 3.968 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.312 -0.167 6.327 1.00 0.00 C ATOM 793 CD1 ILE A 47 -3.962 -0.394 3.722 1.00 0.00 C ATOM 0 H ILE A 47 -6.282 -2.669 5.639 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.031 -0.440 6.070 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.333 0.757 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.213 -2.031 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.892 -0.975 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.369 0.342 6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.874 0.391 7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.111 -1.172 6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.452 -0.964 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.068 0.642 3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.378 -0.431 4.642 1.00 0.00 H new ATOM 805 N GLY A 48 -8.424 -2.138 3.410 1.00 0.00 N ATOM 806 CA GLY A 48 -9.166 -2.228 2.171 1.00 0.00 C ATOM 807 C GLY A 48 -10.641 -2.447 2.407 1.00 0.00 C ATOM 808 O GLY A 48 -11.468 -2.098 1.568 1.00 0.00 O ATOM 0 H GLY A 48 -8.041 -3.021 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.023 -1.313 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.770 -3.047 1.570 1.00 0.00 H new ATOM 812 N ASN A 49 -10.968 -3.045 3.543 1.00 0.00 N ATOM 813 CA ASN A 49 -12.359 -3.262 3.922 1.00 0.00 C ATOM 814 C ASN A 49 -12.823 -2.141 4.836 1.00 0.00 C ATOM 815 O ASN A 49 -14.014 -1.973 5.092 1.00 0.00 O ATOM 816 CB ASN A 49 -12.524 -4.615 4.618 1.00 0.00 C ATOM 817 CG ASN A 49 -12.215 -5.779 3.697 1.00 0.00 C ATOM 818 OD1 ASN A 49 -12.422 -5.699 2.484 1.00 0.00 O ATOM 819 ND2 ASN A 49 -11.713 -6.866 4.259 1.00 0.00 N ATOM 0 H ASN A 49 -10.288 -3.390 4.221 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.971 -3.265 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.866 -4.657 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.545 -4.709 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.483 -7.677 3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.556 -6.893 5.267 1.00 0.00 H new ATOM 826 N LYS A 50 -11.861 -1.380 5.323 1.00 0.00 N ATOM 827 CA LYS A 50 -12.132 -0.224 6.154 1.00 0.00 C ATOM 828 C LYS A 50 -12.126 1.026 5.286 1.00 0.00 C ATOM 829 O LYS A 50 -11.407 1.081 4.288 1.00 0.00 O ATOM 830 CB LYS A 50 -11.061 -0.113 7.246 1.00 0.00 C ATOM 831 CG LYS A 50 -11.292 1.007 8.247 1.00 0.00 C ATOM 832 CD LYS A 50 -12.457 0.703 9.170 1.00 0.00 C ATOM 833 CE LYS A 50 -12.633 1.789 10.218 1.00 0.00 C ATOM 834 NZ LYS A 50 -11.390 2.021 10.999 1.00 0.00 N ATOM 0 H LYS A 50 -10.869 -1.547 5.153 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.108 -0.329 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.011 -1.059 7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.091 0.036 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.389 1.158 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.484 1.938 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.372 0.609 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.293 -0.256 9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.933 2.717 9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.440 1.510 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.627 2.122 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.746 1.214 10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.926 2.889 10.663 1.00 0.00 H new ATOM 848 N ASP A 51 -12.936 2.011 5.643 1.00 0.00 N ATOM 849 CA ASP A 51 -12.922 3.285 4.937 1.00 0.00 C ATOM 850 C ASP A 51 -11.562 3.945 5.113 1.00 0.00 C ATOM 851 O ASP A 51 -11.038 4.020 6.228 1.00 0.00 O ATOM 852 CB ASP A 51 -14.032 4.207 5.448 1.00 0.00 C ATOM 853 CG ASP A 51 -14.181 5.464 4.612 1.00 0.00 C ATOM 854 OD1 ASP A 51 -13.481 6.457 4.893 1.00 0.00 O ATOM 855 OD2 ASP A 51 -15.018 5.465 3.676 1.00 0.00 O ATOM 0 H ASP A 51 -13.606 1.955 6.410 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.102 3.102 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.977 3.664 5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.821 4.485 6.480 1.00 0.00 H new ATOM 860 N ILE A 52 -10.999 4.416 4.012 1.00 0.00 N ATOM 861 CA ILE A 52 -9.638 4.938 3.988 1.00 0.00 C ATOM 862 C ILE A 52 -9.508 6.182 4.880 1.00 0.00 C ATOM 863 O ILE A 52 -8.435 6.472 5.407 1.00 0.00 O ATOM 864 CB ILE A 52 -9.230 5.262 2.524 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.775 4.856 2.234 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.449 6.733 2.203 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.726 5.751 2.857 1.00 0.00 C ATOM 0 H ILE A 52 -11.471 4.448 3.108 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.964 4.179 4.385 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.875 4.670 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.620 3.837 2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.625 4.843 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.154 6.928 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.503 6.981 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.847 7.345 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.733 5.384 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.847 6.768 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.841 5.747 3.941 1.00 0.00 H new ATOM 879 N ALA A 53 -10.614 6.899 5.075 1.00 0.00 N ATOM 880 CA ALA A 53 -10.594 8.114 5.877 1.00 0.00 C ATOM 881 C ALA A 53 -10.770 7.788 7.355 1.00 0.00 C ATOM 882 O ALA A 53 -10.693 8.668 8.215 1.00 0.00 O ATOM 883 CB ALA A 53 -11.670 9.081 5.408 1.00 0.00 C ATOM 0 H ALA A 53 -11.528 6.659 4.690 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.623 8.593 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.640 9.983 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.494 9.343 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.649 8.611 5.504 1.00 0.00 H new ATOM 889 N GLU A 54 -11.003 6.515 7.644 1.00 0.00 N ATOM 890 CA GLU A 54 -11.147 6.052 9.015 1.00 0.00 C ATOM 891 C GLU A 54 -9.901 5.285 9.442 1.00 0.00 C ATOM 892 O GLU A 54 -9.947 4.455 10.352 1.00 0.00 O ATOM 893 CB GLU A 54 -12.373 5.148 9.148 1.00 0.00 C ATOM 894 CG GLU A 54 -13.663 5.778 8.658 1.00 0.00 C ATOM 895 CD GLU A 54 -14.872 4.909 8.929 1.00 0.00 C ATOM 896 OE1 GLU A 54 -14.745 3.667 8.883 1.00 0.00 O ATOM 897 OE2 GLU A 54 -15.956 5.461 9.203 1.00 0.00 O ATOM 0 H GLU A 54 -11.097 5.781 6.942 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.275 6.921 9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.195 4.229 8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.493 4.868 10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.798 6.745 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.588 5.966 7.587 1.00 0.00 H new ATOM 904 N LEU A 55 -8.792 5.564 8.773 1.00 0.00 N ATOM 905 CA LEU A 55 -7.538 4.891 9.066 1.00 0.00 C ATOM 906 C LEU A 55 -6.605 5.800 9.856 1.00 0.00 C ATOM 907 O LEU A 55 -6.361 6.944 9.471 1.00 0.00 O ATOM 908 CB LEU A 55 -6.859 4.447 7.771 1.00 0.00 C ATOM 909 CG LEU A 55 -7.656 3.450 6.928 1.00 0.00 C ATOM 910 CD1 LEU A 55 -6.910 3.118 5.648 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.938 2.185 7.722 1.00 0.00 C ATOM 0 H LEU A 55 -8.736 6.253 8.023 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.759 4.012 9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.655 5.330 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.896 4.001 8.019 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.608 3.910 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.492 2.407 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.758 4.029 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.943 2.679 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.506 1.488 7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.996 1.724 8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.515 2.435 8.612 1.00 0.00 H new ATOM 923 N ASP A 56 -6.104 5.287 10.968 1.00 0.00 N ATOM 924 CA ASP A 56 -5.138 6.008 11.787 1.00 0.00 C ATOM 925 C ASP A 56 -3.764 5.366 11.614 1.00 0.00 C ATOM 926 O ASP A 56 -3.641 4.351 10.918 1.00 0.00 O ATOM 927 CB ASP A 56 -5.570 5.979 13.263 1.00 0.00 C ATOM 928 CG ASP A 56 -4.769 6.923 14.144 1.00 0.00 C ATOM 929 OD1 ASP A 56 -5.069 8.133 14.151 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.845 6.458 14.844 1.00 0.00 O ATOM 0 H ASP A 56 -6.352 4.366 11.328 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.089 7.050 11.470 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.626 6.240 13.330 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.467 4.963 13.644 1.00 0.00 H new ATOM 935 N THR A 57 -2.742 5.941 12.236 1.00 0.00 N ATOM 936 CA THR A 57 -1.399 5.388 12.170 1.00 0.00 C ATOM 937 C THR A 57 -1.408 3.929 12.620 1.00 0.00 C ATOM 938 O THR A 57 -0.795 3.069 11.987 1.00 0.00 O ATOM 939 CB THR A 57 -0.426 6.188 13.057 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.615 7.596 12.847 1.00 0.00 O ATOM 941 CG2 THR A 57 1.019 5.817 12.752 1.00 0.00 C ATOM 0 H THR A 57 -2.820 6.792 12.793 1.00 0.00 H new ATOM 0 HA THR A 57 -1.062 5.451 11.135 1.00 0.00 H new ATOM 0 HB THR A 57 -0.636 5.942 14.098 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.714 8.045 13.712 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.686 6.395 13.391 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.169 4.754 12.939 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.238 6.036 11.707 1.00 0.00 H new ATOM 949 N GLY A 58 -2.144 3.659 13.697 1.00 0.00 N ATOM 950 CA GLY A 58 -2.245 2.310 14.223 1.00 0.00 C ATOM 951 C GLY A 58 -2.888 1.349 13.244 1.00 0.00 C ATOM 952 O GLY A 58 -2.470 0.198 13.140 1.00 0.00 O ATOM 0 H GLY A 58 -2.675 4.358 14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.249 1.949 14.480 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.826 2.326 15.145 1.00 0.00 H new ATOM 956 N ASP A 59 -3.892 1.826 12.511 1.00 0.00 N ATOM 957 CA ASP A 59 -4.599 0.994 11.537 1.00 0.00 C ATOM 958 C ASP A 59 -3.657 0.510 10.452 1.00 0.00 C ATOM 959 O ASP A 59 -3.760 -0.624 9.989 1.00 0.00 O ATOM 960 CB ASP A 59 -5.757 1.755 10.884 1.00 0.00 C ATOM 961 CG ASP A 59 -6.963 1.882 11.784 1.00 0.00 C ATOM 962 OD1 ASP A 59 -7.655 0.861 12.000 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.231 2.999 12.264 1.00 0.00 O ATOM 0 H ASP A 59 -4.235 2.785 12.572 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.998 0.139 12.083 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.416 2.751 10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.048 1.244 9.966 1.00 0.00 H new ATOM 968 N LEU A 60 -2.747 1.381 10.052 1.00 0.00 N ATOM 969 CA LEU A 60 -1.777 1.061 9.015 1.00 0.00 C ATOM 970 C LEU A 60 -0.647 0.213 9.589 1.00 0.00 C ATOM 971 O LEU A 60 -0.080 -0.646 8.905 1.00 0.00 O ATOM 972 CB LEU A 60 -1.231 2.357 8.419 1.00 0.00 C ATOM 973 CG LEU A 60 -2.301 3.300 7.865 1.00 0.00 C ATOM 974 CD1 LEU A 60 -1.708 4.662 7.562 1.00 0.00 C ATOM 975 CD2 LEU A 60 -2.939 2.708 6.618 1.00 0.00 C ATOM 0 H LEU A 60 -2.658 2.323 10.432 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.263 0.484 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.662 2.883 9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.534 2.109 7.619 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.074 3.424 8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.485 5.318 7.169 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.298 5.092 8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.914 4.557 6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.698 3.392 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.175 2.554 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.403 1.753 6.865 1.00 0.00 H new ATOM 987 N LEU A 61 -0.343 0.441 10.859 1.00 0.00 N ATOM 988 CA LEU A 61 0.703 -0.306 11.535 1.00 0.00 C ATOM 989 C LEU A 61 0.320 -1.767 11.713 1.00 0.00 C ATOM 990 O LEU A 61 1.190 -2.617 11.790 1.00 0.00 O ATOM 991 CB LEU A 61 1.035 0.304 12.897 1.00 0.00 C ATOM 992 CG LEU A 61 1.756 1.650 12.854 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.130 2.092 14.259 1.00 0.00 C ATOM 994 CD2 LEU A 61 2.992 1.571 11.969 1.00 0.00 C ATOM 0 H LEU A 61 -0.808 1.138 11.441 1.00 0.00 H new ATOM 0 HA LEU A 61 1.587 -0.251 10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.108 0.425 13.457 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.653 -0.402 13.452 1.00 0.00 H new ATOM 0 HG LEU A 61 1.080 2.390 12.426 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.643 3.053 14.214 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.227 2.191 14.862 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.788 1.350 14.711 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.490 2.540 11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.675 0.819 12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.697 1.297 10.956 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.975 -2.062 11.773 1.00 0.00 N ATOM 1007 CA VAL A 62 -1.426 -3.444 11.947 1.00 0.00 C ATOM 1008 C VAL A 62 -0.882 -4.355 10.831 1.00 0.00 C ATOM 1009 O VAL A 62 -0.163 -5.312 11.119 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.970 -3.559 12.029 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -3.393 -5.001 12.267 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -3.522 -2.665 13.125 1.00 0.00 C ATOM 0 H VAL A 62 -1.725 -1.374 11.705 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.022 -3.780 12.902 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.380 -3.230 11.074 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.480 -5.057 12.321 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.038 -5.625 11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.964 -5.356 13.204 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.607 -2.763 13.163 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.097 -2.961 14.084 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.259 -1.628 12.916 1.00 0.00 H new ATOM 1022 N PRO A 63 -1.200 -4.083 9.543 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.657 -4.865 8.428 1.00 0.00 C ATOM 1024 C PRO A 63 0.866 -4.757 8.311 1.00 0.00 C ATOM 1025 O PRO A 63 1.534 -5.732 7.963 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.338 -4.278 7.186 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.829 -2.939 7.604 1.00 0.00 C ATOM 1028 CD PRO A 63 -2.125 -3.037 9.071 1.00 0.00 C ATOM 0 HA PRO A 63 -0.851 -5.929 8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.638 -4.198 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.160 -4.911 6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.079 -2.172 7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.722 -2.661 7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.951 -2.089 9.579 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.165 -3.310 9.253 1.00 0.00 H new ATOM 1036 N ILE A 64 1.420 -3.580 8.603 1.00 0.00 N ATOM 1037 CA ILE A 64 2.872 -3.407 8.567 1.00 0.00 C ATOM 1038 C ILE A 64 3.542 -4.279 9.633 1.00 0.00 C ATOM 1039 O ILE A 64 4.531 -4.961 9.362 1.00 0.00 O ATOM 1040 CB ILE A 64 3.281 -1.930 8.766 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.700 -1.063 7.646 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.798 -1.798 8.803 1.00 0.00 C ATOM 1043 CD1 ILE A 64 2.998 0.414 7.800 1.00 0.00 C ATOM 0 H ILE A 64 0.895 -2.745 8.863 1.00 0.00 H new ATOM 0 HA ILE A 64 3.210 -3.719 7.579 1.00 0.00 H new ATOM 0 HB ILE A 64 2.880 -1.585 9.719 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.096 -1.406 6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.620 -1.205 7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.069 -0.752 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.195 -2.390 9.628 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.218 -2.158 7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.554 0.963 6.970 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.578 0.774 8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.077 0.569 7.803 1.00 0.00 H new ATOM 1055 N LYS A 65 2.975 -4.264 10.831 1.00 0.00 N ATOM 1056 CA LYS A 65 3.449 -5.078 11.942 1.00 0.00 C ATOM 1057 C LYS A 65 3.349 -6.559 11.597 1.00 0.00 C ATOM 1058 O LYS A 65 4.212 -7.352 11.966 1.00 0.00 O ATOM 1059 CB LYS A 65 2.617 -4.763 13.188 1.00 0.00 C ATOM 1060 CG LYS A 65 2.990 -5.556 14.424 1.00 0.00 C ATOM 1061 CD LYS A 65 2.065 -5.216 15.583 1.00 0.00 C ATOM 1062 CE LYS A 65 0.620 -5.582 15.271 1.00 0.00 C ATOM 1063 NZ LYS A 65 -0.298 -5.245 16.392 1.00 0.00 N ATOM 0 H LYS A 65 2.169 -3.683 11.061 1.00 0.00 H new ATOM 0 HA LYS A 65 4.496 -4.846 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.715 -3.701 13.413 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.567 -4.945 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.933 -6.623 14.208 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.022 -5.342 14.701 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.391 -5.747 16.477 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.132 -4.150 15.803 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.300 -5.057 14.371 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.555 -6.649 15.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.270 -5.511 16.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.010 -5.765 17.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.257 -4.223 16.579 1.00 0.00 H new ATOM 1077 N LYS A 66 2.283 -6.912 10.889 1.00 0.00 N ATOM 1078 CA LYS A 66 2.084 -8.272 10.394 1.00 0.00 C ATOM 1079 C LYS A 66 3.310 -8.747 9.611 1.00 0.00 C ATOM 1080 O LYS A 66 3.815 -9.847 9.836 1.00 0.00 O ATOM 1081 CB LYS A 66 0.840 -8.316 9.499 1.00 0.00 C ATOM 1082 CG LYS A 66 0.499 -9.695 8.957 1.00 0.00 C ATOM 1083 CD LYS A 66 -0.634 -9.613 7.943 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.104 -10.989 7.498 1.00 0.00 C ATOM 1085 NZ LYS A 66 -1.680 -11.772 8.625 1.00 0.00 N ATOM 0 H LYS A 66 1.533 -6.267 10.641 1.00 0.00 H new ATOM 0 HA LYS A 66 1.942 -8.938 11.245 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.013 -7.942 10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.988 -7.636 8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.380 -10.135 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.212 -10.352 9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.471 -9.068 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.302 -9.045 7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.852 -10.880 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.266 -11.537 7.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.226 -12.573 8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.912 -12.130 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.306 -11.161 9.188 1.00 0.00 H new ATOM 1099 N ILE A 67 3.793 -7.904 8.703 1.00 0.00 N ATOM 1100 CA ILE A 67 4.953 -8.246 7.884 1.00 0.00 C ATOM 1101 C ILE A 67 6.247 -8.107 8.686 1.00 0.00 C ATOM 1102 O ILE A 67 7.189 -8.882 8.510 1.00 0.00 O ATOM 1103 CB ILE A 67 5.051 -7.351 6.635 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.691 -7.232 5.954 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.073 -7.924 5.661 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.662 -6.213 4.834 1.00 0.00 C ATOM 0 H ILE A 67 3.401 -6.981 8.516 1.00 0.00 H new ATOM 0 HA ILE A 67 4.821 -9.282 7.571 1.00 0.00 H new ATOM 0 HB ILE A 67 5.372 -6.357 6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.407 -8.206 5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.943 -6.962 6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.135 -7.284 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.049 -7.972 6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.767 -8.926 5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.664 -6.182 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.915 -5.230 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.386 -6.493 4.069 1.00 0.00 H new ATOM 1118 N GLU A 68 6.279 -7.117 9.568 1.00 0.00 N ATOM 1119 CA GLU A 68 7.445 -6.870 10.406 1.00 0.00 C ATOM 1120 C GLU A 68 7.697 -8.070 11.317 1.00 0.00 C ATOM 1121 O GLU A 68 8.833 -8.508 11.488 1.00 0.00 O ATOM 1122 CB GLU A 68 7.233 -5.597 11.231 1.00 0.00 C ATOM 1123 CG GLU A 68 8.515 -4.997 11.786 1.00 0.00 C ATOM 1124 CD GLU A 68 8.282 -3.670 12.484 1.00 0.00 C ATOM 1125 OE1 GLU A 68 7.928 -2.685 11.800 1.00 0.00 O ATOM 1126 OE2 GLU A 68 8.454 -3.603 13.718 1.00 0.00 O ATOM 0 H GLU A 68 5.507 -6.469 9.722 1.00 0.00 H new ATOM 0 HA GLU A 68 8.321 -6.730 9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.735 -4.853 10.609 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.561 -5.821 12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.966 -5.698 12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.228 -4.856 10.973 1.00 0.00 H new ATOM 1133 N LYS A 69 6.621 -8.613 11.880 1.00 0.00 N ATOM 1134 CA LYS A 69 6.706 -9.820 12.698 1.00 0.00 C ATOM 1135 C LYS A 69 6.958 -11.046 11.830 1.00 0.00 C ATOM 1136 O LYS A 69 7.448 -12.070 12.308 1.00 0.00 O ATOM 1137 CB LYS A 69 5.419 -10.032 13.498 1.00 0.00 C ATOM 1138 CG LYS A 69 5.209 -9.044 14.631 1.00 0.00 C ATOM 1139 CD LYS A 69 3.992 -9.426 15.455 1.00 0.00 C ATOM 1140 CE LYS A 69 3.834 -8.551 16.685 1.00 0.00 C ATOM 1141 NZ LYS A 69 2.757 -9.061 17.573 1.00 0.00 N ATOM 0 H LYS A 69 5.678 -8.236 11.785 1.00 0.00 H new ATOM 0 HA LYS A 69 7.540 -9.687 13.388 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.570 -9.970 12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.425 -11.041 13.910 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.093 -9.020 15.268 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.080 -8.040 14.226 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.098 -9.346 14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.076 -10.469 15.761 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.775 -8.517 17.233 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.605 -7.530 16.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.672 -8.443 18.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.855 -9.070 17.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.989 -10.027 17.881 1.00 0.00 H new ATOM 1155 N LEU A 70 6.617 -10.940 10.554 1.00 0.00 N ATOM 1156 CA LEU A 70 6.783 -12.044 9.619 1.00 0.00 C ATOM 1157 C LEU A 70 8.267 -12.287 9.364 1.00 0.00 C ATOM 1158 O LEU A 70 8.675 -13.378 8.968 1.00 0.00 O ATOM 1159 CB LEU A 70 6.059 -11.735 8.305 1.00 0.00 C ATOM 1160 CG LEU A 70 5.771 -12.939 7.410 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.767 -13.865 8.077 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.251 -12.481 6.058 1.00 0.00 C ATOM 0 H LEU A 70 6.221 -10.096 10.140 1.00 0.00 H new ATOM 0 HA LEU A 70 6.348 -12.946 10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.114 -11.244 8.539 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.658 -11.021 7.740 1.00 0.00 H new ATOM 0 HG LEU A 70 6.700 -13.487 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.572 -14.718 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.171 -14.217 9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.837 -13.325 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.051 -13.350 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.331 -11.913 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.998 -11.851 5.575 1.00 0.00 H new ATOM 1174 N GLY A 71 9.072 -11.254 9.601 1.00 0.00 N ATOM 1175 CA GLY A 71 10.507 -11.382 9.463 1.00 0.00 C ATOM 1176 C GLY A 71 11.020 -10.762 8.184 1.00 0.00 C ATOM 1177 O GLY A 71 12.225 -10.571 8.015 1.00 0.00 O ATOM 0 H GLY A 71 8.751 -10.329 9.887 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.995 -10.908 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.779 -12.437 9.487 1.00 0.00 H new ATOM 1181 N TYR A 72 10.104 -10.434 7.283 1.00 0.00 N ATOM 1182 CA TYR A 72 10.473 -9.871 5.995 1.00 0.00 C ATOM 1183 C TYR A 72 10.438 -8.351 6.042 1.00 0.00 C ATOM 1184 O TYR A 72 9.432 -7.724 5.700 1.00 0.00 O ATOM 1185 CB TYR A 72 9.547 -10.388 4.893 1.00 0.00 C ATOM 1186 CG TYR A 72 9.595 -11.887 4.706 1.00 0.00 C ATOM 1187 CD1 TYR A 72 10.640 -12.493 4.019 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.589 -12.696 5.213 1.00 0.00 C ATOM 1189 CE1 TYR A 72 10.678 -13.864 3.845 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.621 -14.065 5.045 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.666 -14.644 4.361 1.00 0.00 C ATOM 1192 OH TYR A 72 9.692 -16.008 4.188 1.00 0.00 O ATOM 0 H TYR A 72 9.100 -10.549 7.422 1.00 0.00 H new ATOM 0 HA TYR A 72 11.491 -10.187 5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.523 -10.093 5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.813 -9.906 3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.435 -11.884 3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.766 -12.246 5.749 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.496 -14.321 3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.830 -14.680 5.448 1.00 0.00 H new ATOM 0 HH TYR A 72 8.905 -16.407 4.615 1.00 0.00 H new ATOM 1202 N LEU A 73 11.542 -7.764 6.484 1.00 0.00 N ATOM 1203 CA LEU A 73 11.640 -6.318 6.617 1.00 0.00 C ATOM 1204 C LEU A 73 11.613 -5.641 5.254 1.00 0.00 C ATOM 1205 O LEU A 73 10.996 -4.592 5.094 1.00 0.00 O ATOM 1206 CB LEU A 73 12.912 -5.930 7.375 1.00 0.00 C ATOM 1207 CG LEU A 73 12.985 -6.431 8.819 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.268 -5.962 9.482 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.771 -5.964 9.613 1.00 0.00 C ATOM 0 H LEU A 73 12.385 -8.270 6.757 1.00 0.00 H new ATOM 0 HA LEU A 73 10.776 -5.976 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.773 -6.315 6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.997 -4.843 7.379 1.00 0.00 H new ATOM 0 HG LEU A 73 12.984 -7.521 8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.302 -6.328 10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.125 -6.348 8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.299 -4.872 9.484 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.843 -6.331 10.637 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.738 -4.875 9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.863 -6.352 9.151 1.00 0.00 H new ATOM 1221 N GLU A 74 12.264 -6.251 4.270 1.00 0.00 N ATOM 1222 CA GLU A 74 12.292 -5.701 2.920 1.00 0.00 C ATOM 1223 C GLU A 74 10.885 -5.563 2.363 1.00 0.00 C ATOM 1224 O GLU A 74 10.505 -4.497 1.885 1.00 0.00 O ATOM 1225 CB GLU A 74 13.137 -6.576 1.999 1.00 0.00 C ATOM 1226 CG GLU A 74 14.619 -6.273 2.075 1.00 0.00 C ATOM 1227 CD GLU A 74 14.972 -4.966 1.394 1.00 0.00 C ATOM 1228 OE1 GLU A 74 14.852 -4.886 0.153 1.00 0.00 O ATOM 1229 OE2 GLU A 74 15.370 -4.014 2.091 1.00 0.00 O ATOM 0 H GLU A 74 12.778 -7.125 4.381 1.00 0.00 H new ATOM 0 HA GLU A 74 12.743 -4.710 2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.974 -7.623 2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.798 -6.442 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.926 -6.231 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.178 -7.085 1.611 1.00 0.00 H new ATOM 1236 N ILE A 75 10.110 -6.633 2.450 1.00 0.00 N ATOM 1237 CA ILE A 75 8.734 -6.613 1.976 1.00 0.00 C ATOM 1238 C ILE A 75 7.935 -5.550 2.726 1.00 0.00 C ATOM 1239 O ILE A 75 7.218 -4.761 2.114 1.00 0.00 O ATOM 1240 CB ILE A 75 8.045 -8.000 2.113 1.00 0.00 C ATOM 1241 CG1 ILE A 75 8.557 -8.980 1.045 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.531 -7.869 2.011 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.991 -9.426 1.239 1.00 0.00 C ATOM 0 H ILE A 75 10.409 -7.525 2.844 1.00 0.00 H new ATOM 0 HA ILE A 75 8.759 -6.367 0.914 1.00 0.00 H new ATOM 0 HB ILE A 75 8.297 -8.395 3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.914 -9.860 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.465 -8.511 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.073 -8.853 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.168 -7.218 2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.267 -7.442 1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.269 -10.115 0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.649 -8.557 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.089 -9.927 2.202 1.00 0.00 H new ATOM 1255 N ALA A 76 8.103 -5.505 4.046 1.00 0.00 N ATOM 1256 CA ALA A 76 7.400 -4.531 4.878 1.00 0.00 C ATOM 1257 C ALA A 76 7.737 -3.103 4.465 1.00 0.00 C ATOM 1258 O ALA A 76 6.848 -2.263 4.321 1.00 0.00 O ATOM 1259 CB ALA A 76 7.736 -4.742 6.347 1.00 0.00 C ATOM 0 H ALA A 76 8.720 -6.132 4.562 1.00 0.00 H new ATOM 0 HA ALA A 76 6.330 -4.684 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.203 -4.008 6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.436 -5.746 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.809 -4.624 6.495 1.00 0.00 H new ATOM 1265 N MET A 77 9.023 -2.834 4.264 1.00 0.00 N ATOM 1266 CA MET A 77 9.471 -1.495 3.900 1.00 0.00 C ATOM 1267 C MET A 77 8.995 -1.123 2.502 1.00 0.00 C ATOM 1268 O MET A 77 8.569 0.006 2.267 1.00 0.00 O ATOM 1269 CB MET A 77 10.999 -1.375 3.985 1.00 0.00 C ATOM 1270 CG MET A 77 11.560 -1.665 5.368 1.00 0.00 C ATOM 1271 SD MET A 77 13.263 -1.105 5.575 1.00 0.00 S ATOM 1272 CE MET A 77 14.098 -2.094 4.337 1.00 0.00 C ATOM 0 H MET A 77 9.771 -3.523 4.347 1.00 0.00 H new ATOM 0 HA MET A 77 9.033 -0.799 4.616 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.449 -2.063 3.269 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.292 -0.368 3.688 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.932 -1.182 6.117 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.512 -2.738 5.555 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.175 -1.954 4.426 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.855 -3.146 4.487 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.772 -1.785 3.344 1.00 0.00 H new ATOM 1282 N ARG A 78 9.054 -2.078 1.580 1.00 0.00 N ATOM 1283 CA ARG A 78 8.628 -1.834 0.207 1.00 0.00 C ATOM 1284 C ARG A 78 7.121 -1.600 0.137 1.00 0.00 C ATOM 1285 O ARG A 78 6.664 -0.704 -0.568 1.00 0.00 O ATOM 1286 CB ARG A 78 9.033 -2.993 -0.705 1.00 0.00 C ATOM 1287 CG ARG A 78 10.537 -3.192 -0.798 1.00 0.00 C ATOM 1288 CD ARG A 78 10.895 -4.341 -1.724 1.00 0.00 C ATOM 1289 NE ARG A 78 12.300 -4.726 -1.597 1.00 0.00 N ATOM 1290 CZ ARG A 78 12.969 -5.440 -2.500 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.390 -5.784 -3.646 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.224 -5.788 -2.255 1.00 0.00 N ATOM 0 H ARG A 78 9.391 -3.024 1.757 1.00 0.00 H new ATOM 0 HA ARG A 78 9.131 -0.932 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.575 -3.911 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.635 -2.815 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.004 -2.275 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.941 -3.386 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.262 -5.199 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.689 -4.054 -2.755 1.00 0.00 H new ATOM 0 HE ARG A 78 12.801 -4.427 -0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.429 -5.501 -3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.907 -6.331 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.669 -5.509 -1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.745 -6.335 -2.941 1.00 0.00 H new ATOM 1306 N VAL A 79 6.351 -2.398 0.877 1.00 0.00 N ATOM 1307 CA VAL A 79 4.904 -2.207 0.947 1.00 0.00 C ATOM 1308 C VAL A 79 4.586 -0.851 1.567 1.00 0.00 C ATOM 1309 O VAL A 79 3.673 -0.152 1.126 1.00 0.00 O ATOM 1310 CB VAL A 79 4.200 -3.327 1.753 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.722 -3.016 1.948 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.364 -4.667 1.055 1.00 0.00 C ATOM 0 H VAL A 79 6.703 -3.178 1.433 1.00 0.00 H new ATOM 0 HA VAL A 79 4.524 -2.248 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 79 4.671 -3.379 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.253 -3.819 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.616 -2.077 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.237 -2.929 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.864 -5.443 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.922 -4.615 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.424 -4.905 0.969 1.00 0.00 H new ATOM 1322 N LYS A 80 5.362 -0.477 2.577 1.00 0.00 N ATOM 1323 CA LYS A 80 5.217 0.823 3.217 1.00 0.00 C ATOM 1324 C LYS A 80 5.462 1.940 2.200 1.00 0.00 C ATOM 1325 O LYS A 80 4.787 2.968 2.216 1.00 0.00 O ATOM 1326 CB LYS A 80 6.196 0.937 4.390 1.00 0.00 C ATOM 1327 CG LYS A 80 5.944 2.124 5.308 1.00 0.00 C ATOM 1328 CD LYS A 80 6.943 2.158 6.460 1.00 0.00 C ATOM 1329 CE LYS A 80 6.901 0.875 7.281 1.00 0.00 C ATOM 1330 NZ LYS A 80 7.921 0.867 8.366 1.00 0.00 N ATOM 0 H LYS A 80 6.101 -1.059 2.971 1.00 0.00 H new ATOM 0 HA LYS A 80 4.201 0.923 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.146 0.021 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.210 1.007 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.014 3.049 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.930 2.070 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.948 2.305 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.726 3.010 7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.909 0.757 7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.065 0.020 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.855 -0.024 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.870 0.953 7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.751 1.667 9.009 1.00 0.00 H new ATOM 1344 N GLN A 81 6.425 1.718 1.307 1.00 0.00 N ATOM 1345 CA GLN A 81 6.711 2.659 0.228 1.00 0.00 C ATOM 1346 C GLN A 81 5.537 2.745 -0.744 1.00 0.00 C ATOM 1347 O GLN A 81 5.090 3.841 -1.087 1.00 0.00 O ATOM 1348 CB GLN A 81 7.980 2.251 -0.525 1.00 0.00 C ATOM 1349 CG GLN A 81 9.256 2.475 0.267 1.00 0.00 C ATOM 1350 CD GLN A 81 9.514 3.943 0.544 1.00 0.00 C ATOM 1351 OE1 GLN A 81 9.148 4.812 -0.251 1.00 0.00 O ATOM 1352 NE2 GLN A 81 10.138 4.230 1.674 1.00 0.00 N ATOM 0 H GLN A 81 7.022 0.891 1.311 1.00 0.00 H new ATOM 0 HA GLN A 81 6.867 3.641 0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.910 1.197 -0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.037 2.815 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.193 1.935 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.100 2.058 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.424 3.480 2.304 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.334 5.201 1.916 1.00 0.00 H new ATOM 1361 N TYR A 82 5.038 1.586 -1.174 1.00 0.00 N ATOM 1362 CA TYR A 82 3.887 1.534 -2.072 1.00 0.00 C ATOM 1363 C TYR A 82 2.700 2.254 -1.444 1.00 0.00 C ATOM 1364 O TYR A 82 2.036 3.065 -2.090 1.00 0.00 O ATOM 1365 CB TYR A 82 3.490 0.087 -2.394 1.00 0.00 C ATOM 1366 CG TYR A 82 4.617 -0.773 -2.924 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.629 -0.234 -3.708 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.673 -2.129 -2.624 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.663 -1.022 -4.180 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.705 -2.921 -3.089 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.695 -2.364 -3.867 1.00 0.00 C ATOM 1372 OH TYR A 82 7.728 -3.149 -4.326 1.00 0.00 O ATOM 0 H TYR A 82 5.413 0.673 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 82 4.171 2.028 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.091 -0.376 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.684 0.100 -3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.608 0.818 -3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.897 -2.571 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.441 -0.588 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.735 -3.972 -2.843 1.00 0.00 H new ATOM 0 HH TYR A 82 7.989 -3.786 -3.629 1.00 0.00 H new ATOM 1382 N ALA A 83 2.453 1.961 -0.171 1.00 0.00 N ATOM 1383 CA ALA A 83 1.365 2.584 0.565 1.00 0.00 C ATOM 1384 C ALA A 83 1.542 4.093 0.616 1.00 0.00 C ATOM 1385 O ALA A 83 0.600 4.833 0.366 1.00 0.00 O ATOM 1386 CB ALA A 83 1.279 2.009 1.971 1.00 0.00 C ATOM 0 H ALA A 83 2.997 1.291 0.373 1.00 0.00 H new ATOM 0 HA ALA A 83 0.432 2.369 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.460 2.485 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.100 0.935 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.215 2.194 2.498 1.00 0.00 H new ATOM 1392 N THR A 84 2.758 4.541 0.917 1.00 0.00 N ATOM 1393 CA THR A 84 3.063 5.969 0.998 1.00 0.00 C ATOM 1394 C THR A 84 2.736 6.682 -0.319 1.00 0.00 C ATOM 1395 O THR A 84 2.245 7.815 -0.319 1.00 0.00 O ATOM 1396 CB THR A 84 4.545 6.200 1.368 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.834 5.570 2.623 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.867 7.685 1.464 1.00 0.00 C ATOM 0 H THR A 84 3.553 3.932 1.110 1.00 0.00 H new ATOM 0 HA THR A 84 2.437 6.390 1.784 1.00 0.00 H new ATOM 0 HB THR A 84 5.160 5.765 0.581 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.902 4.601 2.494 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.917 7.813 1.726 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.671 8.163 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.243 8.144 2.231 1.00 0.00 H new ATOM 1406 N ALA A 85 2.989 6.006 -1.436 1.00 0.00 N ATOM 1407 CA ALA A 85 2.661 6.549 -2.747 1.00 0.00 C ATOM 1408 C ALA A 85 1.148 6.669 -2.907 1.00 0.00 C ATOM 1409 O ALA A 85 0.641 7.673 -3.409 1.00 0.00 O ATOM 1410 CB ALA A 85 3.251 5.675 -3.845 1.00 0.00 C ATOM 0 H ALA A 85 3.420 5.082 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 85 3.095 7.545 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.997 6.094 -4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.335 5.638 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.844 4.667 -3.766 1.00 0.00 H new ATOM 1416 N ILE A 86 0.434 5.643 -2.458 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.023 5.641 -2.508 1.00 0.00 C ATOM 1418 C ILE A 86 -1.590 6.704 -1.568 1.00 0.00 C ATOM 1419 O ILE A 86 -2.594 7.344 -1.874 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.599 4.257 -2.132 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -0.978 3.168 -3.013 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.118 4.258 -2.272 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.427 1.764 -2.664 1.00 0.00 C ATOM 0 H ILE A 86 0.842 4.800 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.316 5.869 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.350 4.045 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.229 3.370 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.107 3.223 -2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.509 3.276 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.544 5.012 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.388 4.487 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.944 1.051 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.152 1.540 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.509 1.690 -2.775 1.00 0.00 H new ATOM 1435 N MET A 87 -0.926 6.894 -0.429 1.00 0.00 N ATOM 1436 CA MET A 87 -1.327 7.906 0.546 1.00 0.00 C ATOM 1437 C MET A 87 -1.406 9.281 -0.102 1.00 0.00 C ATOM 1438 O MET A 87 -2.398 9.989 0.048 1.00 0.00 O ATOM 1439 CB MET A 87 -0.338 7.977 1.715 1.00 0.00 C ATOM 1440 CG MET A 87 -0.163 6.682 2.481 1.00 0.00 C ATOM 1441 SD MET A 87 -1.676 6.100 3.256 1.00 0.00 S ATOM 1442 CE MET A 87 -1.087 4.555 3.935 1.00 0.00 C ATOM 0 H MET A 87 -0.103 6.356 -0.158 1.00 0.00 H new ATOM 0 HA MET A 87 -2.309 7.615 0.920 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.633 8.290 1.332 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.671 8.750 2.408 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.207 5.914 1.802 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.598 6.823 3.248 1.00 0.00 H new ATOM 0 HE1 MET A 87 -1.682 4.292 4.810 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.178 3.770 3.185 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.042 4.660 4.225 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.361 9.650 -0.836 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.306 10.967 -1.456 1.00 0.00 C ATOM 1454 C ARG A 88 -1.337 11.068 -2.575 1.00 0.00 C ATOM 1455 O ARG A 88 -1.907 12.134 -2.816 1.00 0.00 O ATOM 1456 CB ARG A 88 1.099 11.267 -1.981 1.00 0.00 C ATOM 1457 CG ARG A 88 1.293 12.727 -2.357 1.00 0.00 C ATOM 1458 CD ARG A 88 2.745 13.047 -2.676 1.00 0.00 C ATOM 1459 NE ARG A 88 3.192 12.443 -3.927 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.783 13.127 -4.904 1.00 0.00 C ATOM 1461 NH1 ARG A 88 3.957 14.439 -4.787 1.00 0.00 N ATOM 1462 NH2 ARG A 88 4.192 12.504 -6.000 1.00 0.00 N ATOM 0 H ARG A 88 0.452 9.061 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.544 11.713 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.831 10.993 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.296 10.644 -2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.672 12.964 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.954 13.360 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.870 14.128 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.378 12.696 -1.861 1.00 0.00 H new ATOM 0 HE ARG A 88 3.044 11.443 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.638 14.923 -3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.410 14.962 -5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.054 11.498 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.645 13.031 -6.747 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.590 9.949 -3.241 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.638 9.881 -4.249 1.00 0.00 C ATOM 1478 C TYR A 89 -3.998 10.088 -3.581 1.00 0.00 C ATOM 1479 O TYR A 89 -4.879 10.759 -4.124 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.583 8.532 -4.978 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.613 8.374 -6.078 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.501 9.078 -7.271 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -4.696 7.519 -5.921 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.439 8.935 -8.275 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.638 7.370 -6.924 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.504 8.081 -8.098 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.440 7.941 -9.097 1.00 0.00 O ATOM 0 H TYR A 89 -1.083 9.075 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.487 10.668 -4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.589 8.404 -5.406 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.721 7.733 -4.250 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.667 9.748 -7.416 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.805 6.962 -5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.337 9.491 -9.195 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.474 6.700 -6.788 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.126 7.301 -8.815 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.144 9.524 -2.386 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.351 9.686 -1.585 1.00 0.00 C ATOM 1499 C ALA A 90 -5.527 11.136 -1.145 1.00 0.00 C ATOM 1500 O ALA A 90 -6.650 11.630 -1.036 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.302 8.771 -0.370 1.00 0.00 C ATOM 0 H ALA A 90 -3.430 8.943 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.207 9.412 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.209 8.901 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.228 7.734 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.434 9.021 0.239 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.411 11.807 -0.881 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.427 13.223 -0.531 1.00 0.00 C ATOM 1509 C VAL A 91 -4.952 14.049 -1.702 1.00 0.00 C ATOM 1510 O VAL A 91 -5.725 14.992 -1.514 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.023 13.731 -0.127 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.048 15.225 0.169 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.499 12.966 1.078 1.00 0.00 C ATOM 0 H VAL A 91 -3.480 11.391 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.088 13.339 0.328 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.351 13.558 -0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.049 15.557 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.373 15.767 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.740 15.422 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.510 13.340 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.178 13.103 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.432 11.906 0.835 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.543 13.673 -2.910 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.000 14.345 -4.123 1.00 0.00 C ATOM 1525 C GLN A 92 -6.510 14.194 -4.282 1.00 0.00 C ATOM 1526 O GLN A 92 -7.199 15.141 -4.658 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.284 13.782 -5.354 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.780 13.999 -5.335 1.00 0.00 C ATOM 1529 CD GLN A 92 -2.084 13.406 -6.546 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -1.064 13.918 -6.999 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -2.630 12.322 -7.079 1.00 0.00 N ATOM 0 H GLN A 92 -3.894 12.904 -3.076 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.761 15.405 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.488 12.714 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.698 14.246 -6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.573 15.068 -5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.365 13.555 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.478 11.926 -6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.202 11.884 -7.894 1.00 0.00 H new ATOM 1540 N GLN A 93 -7.015 13.005 -3.970 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.447 12.726 -4.043 1.00 0.00 C ATOM 1542 C GLN A 93 -9.178 13.260 -2.814 1.00 0.00 C ATOM 1543 O GLN A 93 -10.392 13.089 -2.682 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.698 11.224 -4.175 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.342 10.655 -5.537 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.510 9.152 -5.592 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.319 8.461 -4.593 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.886 8.635 -6.752 1.00 0.00 N ATOM 0 H GLN A 93 -6.450 12.213 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.834 13.234 -4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.121 10.701 -3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.750 11.023 -3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.972 11.117 -6.297 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.311 10.912 -5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.034 9.243 -7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.028 7.629 -6.840 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.424 13.895 -1.916 1.00 0.00 N ATOM 1558 CA LYS A 94 -8.979 14.505 -0.707 1.00 0.00 C ATOM 1559 C LYS A 94 -9.616 13.462 0.204 1.00 0.00 C ATOM 1560 O LYS A 94 -10.592 13.748 0.899 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.017 15.569 -1.071 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.467 16.675 -1.952 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.537 17.694 -2.297 1.00 0.00 C ATOM 1564 CE LYS A 94 -10.023 18.735 -3.278 1.00 0.00 C ATOM 1565 NZ LYS A 94 -8.878 19.515 -2.734 1.00 0.00 N ATOM 0 H LYS A 94 -7.413 14.001 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.153 14.972 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.853 15.090 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.412 16.008 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.641 17.171 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.063 16.245 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.400 17.185 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.877 18.188 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.716 18.241 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.833 19.417 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.630 20.277 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.143 19.927 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.059 18.887 -2.607 1.00 0.00 H new ATOM 1579 N MET A 95 -9.062 12.261 0.214 1.00 0.00 N ATOM 1580 CA MET A 95 -9.587 11.205 1.067 1.00 0.00 C ATOM 1581 C MET A 95 -9.057 11.350 2.485 1.00 0.00 C ATOM 1582 O MET A 95 -9.827 11.390 3.445 1.00 0.00 O ATOM 1583 CB MET A 95 -9.235 9.822 0.521 1.00 0.00 C ATOM 1584 CG MET A 95 -9.824 9.534 -0.851 1.00 0.00 C ATOM 1585 SD MET A 95 -9.971 7.768 -1.188 1.00 0.00 S ATOM 1586 CE MET A 95 -8.279 7.217 -0.989 1.00 0.00 C ATOM 0 H MET A 95 -8.257 11.993 -0.352 1.00 0.00 H new ATOM 0 HA MET A 95 -10.673 11.302 1.080 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.150 9.729 0.467 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.586 9.065 1.222 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.808 9.997 -0.924 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.198 9.995 -1.615 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.226 6.140 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.643 7.725 -1.714 1.00 0.00 H new ATOM 0 HE3 MET A 95 -7.937 7.450 0.019 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.741 11.446 2.612 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.115 11.576 3.917 1.00 0.00 C ATOM 1598 C ILE A 96 -6.593 12.988 4.129 1.00 0.00 C ATOM 1599 O ILE A 96 -6.463 13.761 3.176 1.00 0.00 O ATOM 1600 CB ILE A 96 -5.956 10.572 4.104 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -4.873 10.787 3.041 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.483 9.146 4.051 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.661 9.895 3.217 1.00 0.00 C ATOM 0 H ILE A 96 -7.089 11.436 1.828 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.884 11.356 4.657 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.507 10.742 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.304 10.610 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.553 11.829 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.657 8.448 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.214 8.999 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -6.956 8.969 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.938 10.104 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.205 10.088 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.967 8.850 3.161 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.322 13.320 5.382 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.782 14.621 5.741 1.00 0.00 C ATOM 1617 C ARG A 97 -4.352 14.752 5.222 1.00 0.00 C ATOM 1618 O ARG A 97 -4.035 15.662 4.458 1.00 0.00 O ATOM 1619 CB ARG A 97 -5.812 14.790 7.263 1.00 0.00 C ATOM 1620 CG ARG A 97 -5.691 16.227 7.736 1.00 0.00 C ATOM 1621 CD ARG A 97 -5.754 16.313 9.254 1.00 0.00 C ATOM 1622 NE ARG A 97 -6.832 15.486 9.805 1.00 0.00 N ATOM 1623 CZ ARG A 97 -7.832 15.946 10.557 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -7.921 17.239 10.848 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -8.747 15.107 11.022 1.00 0.00 N ATOM 0 H ARG A 97 -6.470 12.697 6.176 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.392 15.402 5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.743 14.372 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.999 14.208 7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.751 16.651 7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.492 16.825 7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.801 15.994 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.904 17.351 9.553 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.816 14.487 9.598 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.220 17.891 10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.690 17.580 11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.685 14.112 10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.513 15.456 11.598 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.507 13.816 5.627 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.108 13.798 5.223 1.00 0.00 C ATOM 1641 C PHE A 98 -1.543 12.404 5.476 1.00 0.00 C ATOM 1642 O PHE A 98 -2.167 11.614 6.182 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.314 14.861 6.001 1.00 0.00 C ATOM 1644 CG PHE A 98 0.094 15.060 5.507 1.00 0.00 C ATOM 1645 CD1 PHE A 98 0.334 15.661 4.282 1.00 0.00 C ATOM 1646 CD2 PHE A 98 1.174 14.642 6.268 1.00 0.00 C ATOM 1647 CE1 PHE A 98 1.626 15.841 3.823 1.00 0.00 C ATOM 1648 CE2 PHE A 98 2.468 14.820 5.815 1.00 0.00 C ATOM 1649 CZ PHE A 98 2.693 15.421 4.591 1.00 0.00 C ATOM 0 H PHE A 98 -3.771 13.048 6.244 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.025 14.033 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.846 15.811 5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.282 14.577 7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.498 15.993 3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.003 14.172 7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.800 16.309 2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.302 14.490 6.417 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.703 15.562 4.236 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.386 12.102 4.891 1.00 0.00 N ATOM 1660 CA ASN A 99 0.241 10.786 5.041 1.00 0.00 C ATOM 1661 C ASN A 99 0.534 10.472 6.505 1.00 0.00 C ATOM 1662 O ASN A 99 1.407 11.089 7.118 1.00 0.00 O ATOM 1663 CB ASN A 99 1.551 10.699 4.246 1.00 0.00 C ATOM 1664 CG ASN A 99 1.357 10.746 2.742 1.00 0.00 C ATOM 1665 OD1 ASN A 99 0.469 11.424 2.233 1.00 0.00 O ATOM 1666 ND2 ASN A 99 2.186 10.006 2.020 1.00 0.00 N ATOM 0 H ASN A 99 0.140 12.752 4.306 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.469 10.056 4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.202 11.520 4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.064 9.774 4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.099 9.986 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.911 9.456 2.480 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.176 9.487 7.078 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.002 9.086 8.476 1.00 0.00 C ATOM 1675 C PRO A 100 1.295 8.309 8.690 1.00 0.00 C ATOM 1676 O PRO A 100 1.722 8.086 9.822 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.220 8.189 8.761 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.113 8.325 7.569 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.220 8.691 6.421 1.00 0.00 C ATOM 0 HA PRO A 100 0.062 9.948 9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.917 7.152 8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.732 8.502 9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.642 7.393 7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.870 9.092 7.734 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.810 7.810 5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.750 9.264 5.660 1.00 0.00 H new ATOM 1687 N ALA A 101 1.933 7.918 7.594 1.00 0.00 N ATOM 1688 CA ALA A 101 3.170 7.151 7.660 1.00 0.00 C ATOM 1689 C ALA A 101 4.342 8.021 8.113 1.00 0.00 C ATOM 1690 O ALA A 101 5.409 7.513 8.447 1.00 0.00 O ATOM 1691 CB ALA A 101 3.465 6.504 6.318 1.00 0.00 C ATOM 0 H ALA A 101 1.613 8.120 6.647 1.00 0.00 H new ATOM 0 HA ALA A 101 3.038 6.364 8.403 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.392 5.935 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.647 5.835 6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.567 7.277 5.556 1.00 0.00 H new ATOM 1697 N TYR A 102 4.145 9.333 8.126 1.00 0.00 N ATOM 1698 CA TYR A 102 5.163 10.235 8.648 1.00 0.00 C ATOM 1699 C TYR A 102 5.073 10.300 10.167 1.00 0.00 C ATOM 1700 O TYR A 102 6.061 10.559 10.851 1.00 0.00 O ATOM 1701 CB TYR A 102 5.025 11.638 8.052 1.00 0.00 C ATOM 1702 CG TYR A 102 5.477 11.737 6.612 1.00 0.00 C ATOM 1703 CD1 TYR A 102 6.828 11.787 6.292 1.00 0.00 C ATOM 1704 CD2 TYR A 102 4.556 11.783 5.573 1.00 0.00 C ATOM 1705 CE1 TYR A 102 7.249 11.881 4.980 1.00 0.00 C ATOM 1706 CE2 TYR A 102 4.970 11.878 4.259 1.00 0.00 C ATOM 1707 CZ TYR A 102 6.316 11.927 3.968 1.00 0.00 C ATOM 1708 OH TYR A 102 6.730 12.026 2.660 1.00 0.00 O ATOM 0 H TYR A 102 3.300 9.792 7.785 1.00 0.00 H new ATOM 0 HA TYR A 102 6.139 9.844 8.361 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.983 11.950 8.118 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.605 12.337 8.654 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.562 11.752 7.083 1.00 0.00 H new ATOM 0 HD2 TYR A 102 3.500 11.744 5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 102 8.303 11.918 4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.242 11.914 3.462 1.00 0.00 H new ATOM 0 HH TYR A 102 5.948 12.046 2.070 1.00 0.00 H new ATOM 1718 N ASP A 103 3.884 10.026 10.686 1.00 0.00 N ATOM 1719 CA ASP A 103 3.643 10.063 12.123 1.00 0.00 C ATOM 1720 C ASP A 103 4.378 8.922 12.815 1.00 0.00 C ATOM 1721 O ASP A 103 4.873 9.074 13.931 1.00 0.00 O ATOM 1722 CB ASP A 103 2.140 9.985 12.406 1.00 0.00 C ATOM 1723 CG ASP A 103 1.814 9.997 13.886 1.00 0.00 C ATOM 1724 OD1 ASP A 103 2.028 11.040 14.541 1.00 0.00 O ATOM 1725 OD2 ASP A 103 1.321 8.971 14.398 1.00 0.00 O ATOM 0 H ASP A 103 3.067 9.774 10.130 1.00 0.00 H new ATOM 0 HA ASP A 103 4.024 11.005 12.519 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.641 10.825 11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.738 9.076 11.959 1.00 0.00 H new ATOM 1730 N LEU A 104 4.482 7.789 12.127 1.00 0.00 N ATOM 1731 CA LEU A 104 5.159 6.623 12.683 1.00 0.00 C ATOM 1732 C LEU A 104 6.675 6.753 12.555 1.00 0.00 C ATOM 1733 O LEU A 104 7.422 5.936 13.090 1.00 0.00 O ATOM 1734 CB LEU A 104 4.658 5.330 12.019 1.00 0.00 C ATOM 1735 CG LEU A 104 4.783 5.251 10.492 1.00 0.00 C ATOM 1736 CD1 LEU A 104 6.196 4.865 10.068 1.00 0.00 C ATOM 1737 CD2 LEU A 104 3.778 4.259 9.941 1.00 0.00 C ATOM 0 H LEU A 104 4.108 7.654 11.188 1.00 0.00 H new ATOM 0 HA LEU A 104 4.919 6.571 13.745 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.205 4.491 12.450 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.609 5.196 12.283 1.00 0.00 H new ATOM 0 HG LEU A 104 4.573 6.239 10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.249 4.818 8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.902 5.610 10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.448 3.890 10.486 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.873 4.209 8.856 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.967 3.274 10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.770 4.580 10.202 1.00 0.00 H new ATOM 1749 N GLU A 105 7.130 7.779 11.843 1.00 0.00 N ATOM 1750 CA GLU A 105 8.556 8.058 11.767 1.00 0.00 C ATOM 1751 C GLU A 105 8.964 8.871 12.987 1.00 0.00 C ATOM 1752 O GLU A 105 10.142 8.960 13.339 1.00 0.00 O ATOM 1753 CB GLU A 105 8.911 8.800 10.476 1.00 0.00 C ATOM 1754 CG GLU A 105 10.410 8.928 10.258 1.00 0.00 C ATOM 1755 CD GLU A 105 10.763 9.619 8.962 1.00 0.00 C ATOM 1756 OE1 GLU A 105 10.744 8.955 7.902 1.00 0.00 O ATOM 1757 OE2 GLU A 105 11.084 10.822 8.999 1.00 0.00 O ATOM 0 H GLU A 105 6.539 8.423 11.317 1.00 0.00 H new ATOM 0 HA GLU A 105 9.103 7.115 11.755 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.470 8.275 9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.467 9.795 10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.846 9.482 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 105 10.859 7.935 10.267 1.00 0.00 H new ATOM 1764 N GLY A 106 7.963 9.459 13.635 1.00 0.00 N ATOM 1765 CA GLY A 106 8.183 10.124 14.900 1.00 0.00 C ATOM 1766 C GLY A 106 8.409 9.114 16.003 1.00 0.00 C ATOM 1767 O GLY A 106 8.937 9.443 17.066 1.00 0.00 O ATOM 0 H GLY A 106 6.999 9.485 13.302 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.046 10.785 14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.323 10.748 15.143 1.00 0.00 H new ATOM 1771 N ALA A 107 7.997 7.876 15.742 1.00 0.00 N ATOM 1772 CA ALA A 107 8.231 6.772 16.658 1.00 0.00 C ATOM 1773 C ALA A 107 9.724 6.468 16.727 1.00 0.00 C ATOM 1774 O ALA A 107 10.323 5.999 15.754 1.00 0.00 O ATOM 1775 CB ALA A 107 7.447 5.541 16.217 1.00 0.00 C ATOM 0 H ALA A 107 7.495 7.615 14.894 1.00 0.00 H new ATOM 0 HA ALA A 107 7.885 7.053 17.653 1.00 0.00 H new ATOM 0 HB1 ALA A 107 7.633 4.723 16.913 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.382 5.773 16.205 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.765 5.246 15.217 1.00 0.00 H new ATOM 1781 N VAL A 108 10.325 6.748 17.870 1.00 0.00 N ATOM 1782 CA VAL A 108 11.766 6.622 18.020 1.00 0.00 C ATOM 1783 C VAL A 108 12.160 5.260 18.575 1.00 0.00 C ATOM 1784 O VAL A 108 11.436 4.660 19.376 1.00 0.00 O ATOM 1785 CB VAL A 108 12.350 7.733 18.917 1.00 0.00 C ATOM 1786 CG1 VAL A 108 12.313 9.075 18.202 1.00 0.00 C ATOM 1787 CG2 VAL A 108 11.594 7.816 20.234 1.00 0.00 C ATOM 0 H VAL A 108 9.838 7.064 18.709 1.00 0.00 H new ATOM 0 HA VAL A 108 12.186 6.726 17.019 1.00 0.00 H new ATOM 0 HB VAL A 108 13.389 7.483 19.131 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.729 9.845 18.852 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.901 9.016 17.286 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.282 9.327 17.955 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.023 8.606 20.851 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.545 8.038 20.038 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.672 6.864 20.759 1.00 0.00 H new ATOM 1797 N GLN A 109 13.304 4.770 18.121 1.00 0.00 N ATOM 1798 CA GLN A 109 13.847 3.511 18.599 1.00 0.00 C ATOM 1799 C GLN A 109 14.675 3.760 19.849 1.00 0.00 C ATOM 1800 O GLN A 109 14.789 2.901 20.721 1.00 0.00 O ATOM 1801 CB GLN A 109 14.719 2.858 17.523 1.00 0.00 C ATOM 1802 CG GLN A 109 14.001 2.634 16.201 1.00 0.00 C ATOM 1803 CD GLN A 109 14.909 2.041 15.142 1.00 0.00 C ATOM 1804 OE1 GLN A 109 16.118 2.267 15.150 1.00 0.00 O ATOM 1805 NE2 GLN A 109 14.335 1.288 14.220 1.00 0.00 N ATOM 0 H GLN A 109 13.878 5.232 17.415 1.00 0.00 H new ATOM 0 HA GLN A 109 13.022 2.838 18.832 1.00 0.00 H new ATOM 0 HB2 GLN A 109 15.594 3.484 17.349 1.00 0.00 H new ATOM 0 HB3 GLN A 109 15.082 1.900 17.895 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.152 1.970 16.360 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.601 3.583 15.843 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.329 1.125 14.249 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.898 0.870 13.480 1.00 0.00 H new ATOM 1814 N LYS A 110 15.241 4.956 19.927 1.00 0.00 N ATOM 1815 CA LYS A 110 16.059 5.345 21.060 1.00 0.00 C ATOM 1816 C LYS A 110 15.433 6.534 21.773 1.00 0.00 C ATOM 1817 O LYS A 110 15.133 7.557 21.154 1.00 0.00 O ATOM 1818 CB LYS A 110 17.480 5.674 20.598 1.00 0.00 C ATOM 1819 CG LYS A 110 18.151 4.512 19.884 1.00 0.00 C ATOM 1820 CD LYS A 110 19.566 4.848 19.448 1.00 0.00 C ATOM 1821 CE LYS A 110 20.211 3.664 18.747 1.00 0.00 C ATOM 1822 NZ LYS A 110 21.636 3.918 18.415 1.00 0.00 N ATOM 0 H LYS A 110 15.146 5.677 19.211 1.00 0.00 H new ATOM 0 HA LYS A 110 16.112 4.513 21.762 1.00 0.00 H new ATOM 0 HB2 LYS A 110 17.450 6.536 19.931 1.00 0.00 H new ATOM 0 HB3 LYS A 110 18.081 5.960 21.461 1.00 0.00 H new ATOM 0 HG2 LYS A 110 18.172 3.645 20.544 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.560 4.234 19.011 1.00 0.00 H new ATOM 0 HD2 LYS A 110 19.550 5.708 18.779 1.00 0.00 H new ATOM 0 HD3 LYS A 110 20.161 5.131 20.316 1.00 0.00 H new ATOM 0 HE2 LYS A 110 20.140 2.783 19.385 1.00 0.00 H new ATOM 0 HE3 LYS A 110 19.661 3.441 17.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 22.035 3.084 17.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 21.704 4.743 17.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 22.168 4.105 19.289 1.00 0.00 H new ATOM 1836 N LEU A 111 15.224 6.383 23.068 1.00 0.00 N ATOM 1837 CA LEU A 111 14.556 7.398 23.864 1.00 0.00 C ATOM 1838 C LEU A 111 15.569 8.252 24.609 1.00 0.00 C ATOM 1839 O LEU A 111 16.554 7.737 25.144 1.00 0.00 O ATOM 1840 CB LEU A 111 13.610 6.734 24.869 1.00 0.00 C ATOM 1841 CG LEU A 111 12.481 5.904 24.258 1.00 0.00 C ATOM 1842 CD1 LEU A 111 11.790 5.078 25.328 1.00 0.00 C ATOM 1843 CD2 LEU A 111 11.475 6.802 23.561 1.00 0.00 C ATOM 0 H LEU A 111 15.510 5.559 23.596 1.00 0.00 H new ATOM 0 HA LEU A 111 13.985 8.039 23.192 1.00 0.00 H new ATOM 0 HB2 LEU A 111 14.197 6.091 25.524 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.170 7.510 25.495 1.00 0.00 H new ATOM 0 HG LEU A 111 12.915 5.229 23.520 1.00 0.00 H new ATOM 0 HD11 LEU A 111 10.989 4.493 24.876 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.512 4.406 25.792 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.372 5.741 26.086 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.679 6.193 23.132 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.050 7.500 24.282 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.973 7.359 22.767 1.00 0.00 H new ATOM 1855 N GLU A 112 15.336 9.555 24.630 1.00 0.00 N ATOM 1856 CA GLU A 112 16.145 10.442 25.444 1.00 0.00 C ATOM 1857 C GLU A 112 15.745 10.274 26.903 1.00 0.00 C ATOM 1858 O GLU A 112 14.556 10.190 27.217 1.00 0.00 O ATOM 1859 CB GLU A 112 15.987 11.899 25.005 1.00 0.00 C ATOM 1860 CG GLU A 112 16.391 12.144 23.561 1.00 0.00 C ATOM 1861 CD GLU A 112 16.603 13.610 23.257 1.00 0.00 C ATOM 1862 OE1 GLU A 112 15.618 14.318 22.965 1.00 0.00 O ATOM 1863 OE2 GLU A 112 17.763 14.069 23.307 1.00 0.00 O ATOM 0 H GLU A 112 14.599 10.017 24.097 1.00 0.00 H new ATOM 0 HA GLU A 112 17.196 10.180 25.318 1.00 0.00 H new ATOM 0 HB2 GLU A 112 14.948 12.200 25.139 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.589 12.533 25.655 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.308 11.596 23.346 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.621 11.747 22.900 1.00 0.00 H new ATOM 1870 N HIS A 113 16.738 10.212 27.782 1.00 0.00 N ATOM 1871 CA HIS A 113 16.501 9.917 29.195 1.00 0.00 C ATOM 1872 C HIS A 113 15.509 10.901 29.796 1.00 0.00 C ATOM 1873 O HIS A 113 14.484 10.507 30.359 1.00 0.00 O ATOM 1874 CB HIS A 113 17.809 9.952 29.986 1.00 0.00 C ATOM 1875 CG HIS A 113 18.838 8.984 29.501 1.00 0.00 C ATOM 1876 ND1 HIS A 113 18.742 7.624 29.688 1.00 0.00 N ATOM 1877 CD2 HIS A 113 19.985 9.186 28.814 1.00 0.00 C ATOM 1878 CE1 HIS A 113 19.788 7.033 29.145 1.00 0.00 C ATOM 1879 NE2 HIS A 113 20.558 7.958 28.604 1.00 0.00 N ATOM 0 H HIS A 113 17.718 10.362 27.543 1.00 0.00 H new ATOM 0 HA HIS A 113 16.080 8.913 29.257 1.00 0.00 H new ATOM 0 HB2 HIS A 113 18.223 10.959 29.940 1.00 0.00 H new ATOM 0 HB3 HIS A 113 17.594 9.743 31.034 1.00 0.00 H new ATOM 0 HD2 HIS A 113 20.377 10.139 28.490 1.00 0.00 H new ATOM 0 HE1 HIS A 113 19.982 5.971 29.143 1.00 0.00 H new ATOM 0 HE2 HIS A 113 21.435 7.788 28.111 1.00 0.00 H new ATOM 1888 N HIS A 114 15.804 12.178 29.661 1.00 0.00 N ATOM 1889 CA HIS A 114 14.921 13.208 30.165 1.00 0.00 C ATOM 1890 C HIS A 114 14.323 13.965 28.988 1.00 0.00 C ATOM 1891 O HIS A 114 15.029 14.307 28.040 1.00 0.00 O ATOM 1892 CB HIS A 114 15.686 14.143 31.102 1.00 0.00 C ATOM 1893 CG HIS A 114 14.819 14.844 32.101 1.00 0.00 C ATOM 1894 ND1 HIS A 114 13.946 14.181 32.933 1.00 0.00 N ATOM 1895 CD2 HIS A 114 14.703 16.156 32.410 1.00 0.00 C ATOM 1896 CE1 HIS A 114 13.335 15.052 33.710 1.00 0.00 C ATOM 1897 NE2 HIS A 114 13.775 16.257 33.416 1.00 0.00 N ATOM 0 H HIS A 114 16.648 12.526 29.207 1.00 0.00 H new ATOM 0 HA HIS A 114 14.111 12.759 30.740 1.00 0.00 H new ATOM 0 HB2 HIS A 114 16.444 13.568 31.634 1.00 0.00 H new ATOM 0 HB3 HIS A 114 16.212 14.889 30.506 1.00 0.00 H new ATOM 0 HD2 HIS A 114 15.241 16.972 31.950 1.00 0.00 H new ATOM 0 HE1 HIS A 114 12.597 14.817 34.462 1.00 0.00 H new ATOM 0 HE2 HIS A 114 13.475 17.124 33.863 1.00 0.00 H new ATOM 1906 N HIS A 115 13.025 14.229 29.050 1.00 0.00 N ATOM 1907 CA HIS A 115 12.294 14.766 27.903 1.00 0.00 C ATOM 1908 C HIS A 115 12.422 16.283 27.805 1.00 0.00 C ATOM 1909 O HIS A 115 11.561 16.946 27.225 1.00 0.00 O ATOM 1910 CB HIS A 115 10.817 14.362 27.979 1.00 0.00 C ATOM 1911 CG HIS A 115 10.596 12.883 27.880 1.00 0.00 C ATOM 1912 ND1 HIS A 115 10.049 12.274 26.773 1.00 0.00 N ATOM 1913 CD2 HIS A 115 10.866 11.888 28.758 1.00 0.00 C ATOM 1914 CE1 HIS A 115 9.994 10.970 26.974 1.00 0.00 C ATOM 1915 NE2 HIS A 115 10.486 10.706 28.172 1.00 0.00 N ATOM 0 H HIS A 115 12.453 14.081 29.882 1.00 0.00 H new ATOM 0 HA HIS A 115 12.738 14.341 27.003 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.398 14.722 28.919 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.271 14.857 27.176 1.00 0.00 H new ATOM 0 HD2 HIS A 115 11.301 12.003 29.740 1.00 0.00 H new ATOM 0 HE1 HIS A 115 9.611 10.241 26.276 1.00 0.00 H new ATOM 0 HE2 HIS A 115 10.569 9.780 28.591 1.00 0.00 H new ATOM 1924 N HIS A 116 13.515 16.813 28.351 1.00 0.00 N ATOM 1925 CA HIS A 116 13.844 18.241 28.280 1.00 0.00 C ATOM 1926 C HIS A 116 12.859 19.079 29.090 1.00 0.00 C ATOM 1927 O HIS A 116 13.171 19.506 30.202 1.00 0.00 O ATOM 1928 CB HIS A 116 13.899 18.735 26.825 1.00 0.00 C ATOM 1929 CG HIS A 116 14.785 17.913 25.938 1.00 0.00 C ATOM 1930 ND1 HIS A 116 16.158 18.042 25.899 1.00 0.00 N ATOM 1931 CD2 HIS A 116 14.480 16.928 25.061 1.00 0.00 C ATOM 1932 CE1 HIS A 116 16.654 17.174 25.037 1.00 0.00 C ATOM 1933 NE2 HIS A 116 15.657 16.488 24.515 1.00 0.00 N ATOM 0 H HIS A 116 14.205 16.261 28.860 1.00 0.00 H new ATOM 0 HA HIS A 116 14.835 18.363 28.716 1.00 0.00 H new ATOM 0 HB2 HIS A 116 12.890 18.736 26.414 1.00 0.00 H new ATOM 0 HB3 HIS A 116 14.248 19.767 26.815 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.491 16.557 24.834 1.00 0.00 H new ATOM 0 HE1 HIS A 116 17.700 17.047 24.800 1.00 0.00 H new ATOM 0 HE2 HIS A 116 15.747 15.749 23.818 1.00 0.00 H new ATOM 1942 N HIS A 117 11.667 19.282 28.535 1.00 0.00 N ATOM 1943 CA HIS A 117 10.630 20.101 29.161 1.00 0.00 C ATOM 1944 C HIS A 117 9.439 20.228 28.226 1.00 0.00 C ATOM 1945 O HIS A 117 8.306 20.386 28.673 1.00 0.00 O ATOM 1946 CB HIS A 117 11.145 21.505 29.497 1.00 0.00 C ATOM 1947 CG HIS A 117 11.054 21.853 30.951 1.00 0.00 C ATOM 1948 ND1 HIS A 117 9.861 22.056 31.614 1.00 0.00 N ATOM 1949 CD2 HIS A 117 12.025 22.036 31.872 1.00 0.00 C ATOM 1950 CE1 HIS A 117 10.106 22.354 32.877 1.00 0.00 C ATOM 1951 NE2 HIS A 117 11.411 22.347 33.059 1.00 0.00 N ATOM 0 H HIS A 117 11.392 18.883 27.637 1.00 0.00 H new ATOM 0 HA HIS A 117 10.336 19.607 30.087 1.00 0.00 H new ATOM 0 HB2 HIS A 117 12.184 21.586 29.178 1.00 0.00 H new ATOM 0 HB3 HIS A 117 10.577 22.237 28.922 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.089 21.953 31.705 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.364 22.567 33.632 1.00 0.00 H new ATOM 0 HE2 HIS A 117 11.888 22.541 33.940 1.00 0.00 H new ATOM 1960 N HIS A 118 9.723 20.162 26.925 1.00 0.00 N ATOM 1961 CA HIS A 118 8.717 20.338 25.879 1.00 0.00 C ATOM 1962 C HIS A 118 8.234 21.785 25.854 1.00 0.00 C ATOM 1963 O HIS A 118 7.256 22.110 26.556 1.00 0.00 O ATOM 1964 CB HIS A 118 7.536 19.367 26.052 1.00 0.00 C ATOM 1965 CG HIS A 118 6.495 19.491 24.978 1.00 0.00 C ATOM 1966 ND1 HIS A 118 6.607 18.879 23.751 1.00 0.00 N ATOM 1967 CD2 HIS A 118 5.325 20.173 24.949 1.00 0.00 C ATOM 1968 CE1 HIS A 118 5.552 19.177 23.017 1.00 0.00 C ATOM 1969 NE2 HIS A 118 4.759 19.963 23.717 1.00 0.00 N ATOM 1970 OXT HIS A 118 8.849 22.595 25.137 1.00 0.00 O ATOM 0 H HIS A 118 10.661 19.984 26.566 1.00 0.00 H new ATOM 0 HA HIS A 118 9.184 20.106 24.922 1.00 0.00 H new ATOM 0 HB2 HIS A 118 7.915 18.345 26.063 1.00 0.00 H new ATOM 0 HB3 HIS A 118 7.069 19.544 27.021 1.00 0.00 H new ATOM 0 HD2 HIS A 118 4.914 20.772 25.748 1.00 0.00 H new ATOM 0 HE1 HIS A 118 5.369 18.834 22.010 1.00 0.00 H new ATOM 0 HE2 HIS A 118 3.872 20.351 23.396 1.00 0.00 H new TER 1979 HIS A 118