USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ 168:sc= 1.31 (180deg=-0.00267) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.41 K(o=1.7,f=-4.6) USER MOD Single : A 5 THR OG1 : rot -30:sc= 0.278 USER MOD Single : A 8 GLN : amide:sc= -0.58 K(o=-0.58,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= -0.0396 (180deg=-0.0863) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 136:sc= -0.0978 (180deg=-0.897) USER MOD Single : A 26 THR OG1 : rot -29:sc= 1.29 USER MOD Single : A 28 THR OG1 : rot -65:sc= 0.353 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 78:sc= 0.00029 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 67:sc= 0.0126 USER MOD Single : A 41 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.06) USER MOD Single : A 42 ASN : amide:sc= -0.0429 K(o=-0.043,f=-1.7!) USER MOD Single : A 44 THR OG1 : rot -77:sc= 1.34 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 172:sc= 0 (180deg=-0.0601) USER MOD Single : A 53 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.4!) USER MOD Single : A 60 ASN : amide:sc= 0.142 K(o=0.14,f=-2.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 76:sc= 0.421 USER MOD Single : A 71 MET CE :methyl -179:sc= 0 (180deg=-0.000866) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc=-0.00534 K(o=-0.0053,f=-1.6) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -68:sc= 0.954 USER MOD Single : A 109 MET CE :methyl -171:sc=-0.000233 (180deg=-0.17) USER MOD Single : A 110 THR OG1 : rot 10:sc= 0.361 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 163:sc= -0.0162 (180deg=-0.268) USER MOD Single : A 117 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN :FLIP amide:sc= -0.324 F(o=-1.6!,f=-0.32) USER MOD Single : A 137 ASN : amide:sc= -0.0396 K(o=-0.04,f=-7.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 144 MET CE :methyl 130:sc= -0.11 (180deg=-0.868) USER MOD Single : A 145 MET CE :methyl 166:sc= -0.467 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.760 16.488 1.948 1.00 0.00 N ATOM 59 CA THR A 5 -12.189 17.334 0.878 1.00 0.00 C ATOM 60 C THR A 5 -13.468 16.920 0.235 1.00 0.00 C ATOM 61 O THR A 5 -13.864 15.760 0.133 1.00 0.00 O ATOM 62 CB THR A 5 -11.098 17.568 -0.124 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.402 16.370 -0.434 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.128 18.585 0.501 1.00 0.00 C ATOM 0 HA THR A 5 -12.416 18.290 1.349 1.00 0.00 H new ATOM 0 HB THR A 5 -11.526 17.937 -1.056 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.410 15.776 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.314 18.787 -0.195 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.661 19.512 0.715 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.721 18.178 1.427 1.00 0.00 H new ATOM 72 N GLU A 6 -14.249 17.908 -0.239 1.00 0.00 N ATOM 73 CA GLU A 6 -15.571 17.835 -0.779 1.00 0.00 C ATOM 74 C GLU A 6 -15.581 16.951 -1.978 1.00 0.00 C ATOM 75 O GLU A 6 -16.426 16.080 -2.180 1.00 0.00 O ATOM 76 CB GLU A 6 -16.010 19.256 -1.170 1.00 0.00 C ATOM 77 CG GLU A 6 -16.476 20.190 -0.051 1.00 0.00 C ATOM 78 CD GLU A 6 -17.672 19.494 0.582 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.733 19.409 -0.092 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.657 19.150 1.794 1.00 0.00 O ATOM 0 H GLU A 6 -13.909 18.870 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.257 17.421 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.176 19.736 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.820 19.169 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.684 20.354 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.753 21.168 -0.445 1.00 0.00 H new ATOM 87 N GLU A 7 -14.546 17.113 -2.822 1.00 0.00 N ATOM 88 CA GLU A 7 -14.311 16.261 -3.945 1.00 0.00 C ATOM 89 C GLU A 7 -13.966 14.838 -3.668 1.00 0.00 C ATOM 90 O GLU A 7 -14.076 13.988 -4.549 1.00 0.00 O ATOM 91 CB GLU A 7 -13.227 16.826 -4.878 1.00 0.00 C ATOM 92 CG GLU A 7 -11.895 17.025 -4.152 1.00 0.00 C ATOM 93 CD GLU A 7 -10.734 17.397 -5.062 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.646 16.884 -6.210 1.00 0.00 O ATOM 95 OE2 GLU A 7 -9.923 18.289 -4.693 1.00 0.00 O ATOM 0 H GLU A 7 -13.855 17.856 -2.720 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.296 16.250 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.084 16.149 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.562 17.778 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.017 17.806 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.644 16.107 -3.620 1.00 0.00 H new ATOM 102 N GLN A 8 -13.475 14.480 -2.468 1.00 0.00 N ATOM 103 CA GLN A 8 -13.327 13.117 -2.060 1.00 0.00 C ATOM 104 C GLN A 8 -14.601 12.448 -1.673 1.00 0.00 C ATOM 105 O GLN A 8 -14.876 11.339 -2.128 1.00 0.00 O ATOM 106 CB GLN A 8 -12.287 12.946 -0.940 1.00 0.00 C ATOM 107 CG GLN A 8 -10.826 13.158 -1.341 1.00 0.00 C ATOM 108 CD GLN A 8 -10.320 12.130 -2.343 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.759 12.140 -3.492 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.318 11.328 -1.893 1.00 0.00 N ATOM 0 H GLN A 8 -13.174 15.154 -1.764 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.966 12.615 -2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.528 13.644 -0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.388 11.942 -0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.715 14.155 -1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.203 13.121 -0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.016 11.386 -0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.869 10.668 -2.528 1.00 0.00 H new ATOM 119 N ILE A 9 -15.515 13.178 -1.010 1.00 0.00 N ATOM 120 CA ILE A 9 -16.774 12.752 -0.483 1.00 0.00 C ATOM 121 C ILE A 9 -17.663 12.515 -1.654 1.00 0.00 C ATOM 122 O ILE A 9 -18.428 11.551 -1.655 1.00 0.00 O ATOM 123 CB ILE A 9 -17.334 13.710 0.526 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.352 13.948 1.686 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.646 13.196 1.141 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.728 15.172 2.520 1.00 0.00 C ATOM 0 H ILE A 9 -15.353 14.168 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.668 11.830 0.089 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.513 14.637 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.330 13.067 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.346 14.078 1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.016 13.921 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.388 13.059 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.466 12.244 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.006 15.299 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.724 16.059 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.723 15.033 2.943 1.00 0.00 H new ATOM 138 N ALA A 10 -17.584 13.333 -2.719 1.00 0.00 N ATOM 139 CA ALA A 10 -18.304 13.325 -3.955 1.00 0.00 C ATOM 140 C ALA A 10 -17.872 12.162 -4.780 1.00 0.00 C ATOM 141 O ALA A 10 -18.705 11.652 -5.528 1.00 0.00 O ATOM 142 CB ALA A 10 -18.050 14.663 -4.668 1.00 0.00 C ATOM 0 H ALA A 10 -16.920 14.107 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.375 13.218 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.590 14.679 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.397 15.482 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.983 14.777 -4.857 1.00 0.00 H new ATOM 148 N GLU A 11 -16.598 11.731 -4.800 1.00 0.00 N ATOM 149 CA GLU A 11 -16.153 10.594 -5.545 1.00 0.00 C ATOM 150 C GLU A 11 -16.667 9.355 -4.896 1.00 0.00 C ATOM 151 O GLU A 11 -17.043 8.370 -5.531 1.00 0.00 O ATOM 152 CB GLU A 11 -14.619 10.588 -5.646 1.00 0.00 C ATOM 153 CG GLU A 11 -14.030 9.434 -6.461 1.00 0.00 C ATOM 154 CD GLU A 11 -14.232 9.610 -7.959 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.816 10.638 -8.558 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.886 8.722 -8.569 1.00 0.00 O ATOM 0 H GLU A 11 -15.851 12.190 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.543 10.640 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.295 11.529 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.204 10.551 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.964 9.352 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.491 8.498 -6.144 1.00 0.00 H new ATOM 163 N PHE A 12 -16.536 9.330 -3.557 1.00 0.00 N ATOM 164 CA PHE A 12 -17.014 8.225 -2.786 1.00 0.00 C ATOM 165 C PHE A 12 -18.474 7.951 -2.891 1.00 0.00 C ATOM 166 O PHE A 12 -18.972 6.834 -2.761 1.00 0.00 O ATOM 167 CB PHE A 12 -16.583 8.258 -1.310 1.00 0.00 C ATOM 168 CG PHE A 12 -15.110 8.412 -1.146 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.245 8.144 -2.181 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.677 8.993 0.022 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.929 8.530 -2.077 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.353 9.352 0.110 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.477 9.133 -0.927 1.00 0.00 C ATOM 0 H PHE A 12 -16.100 10.073 -3.010 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.511 7.386 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.089 9.082 -0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.905 7.339 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.596 7.635 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.356 9.162 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.250 8.359 -2.899 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.992 9.817 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.443 9.432 -0.839 1.00 0.00 H new ATOM 183 N LYS A 13 -19.182 9.079 -3.081 1.00 0.00 N ATOM 184 CA LYS A 13 -20.609 9.132 -3.161 1.00 0.00 C ATOM 185 C LYS A 13 -21.159 8.599 -4.439 1.00 0.00 C ATOM 186 O LYS A 13 -22.200 7.950 -4.532 1.00 0.00 O ATOM 187 CB LYS A 13 -21.049 10.584 -2.910 1.00 0.00 C ATOM 188 CG LYS A 13 -22.556 10.650 -2.652 1.00 0.00 C ATOM 189 CD LYS A 13 -23.089 12.044 -2.313 1.00 0.00 C ATOM 190 CE LYS A 13 -24.594 12.182 -2.074 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.393 11.212 -2.855 1.00 0.00 N ATOM 0 H LYS A 13 -18.741 9.993 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.020 8.473 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.509 10.991 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.794 11.202 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.078 10.282 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.800 9.974 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.572 12.394 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.814 12.717 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.802 12.045 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.906 13.194 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.404 11.428 -2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.132 11.276 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.205 10.249 -2.509 1.00 0.00 H new ATOM 205 N GLU A 14 -20.419 8.860 -5.531 1.00 0.00 N ATOM 206 CA GLU A 14 -20.698 8.142 -6.736 1.00 0.00 C ATOM 207 C GLU A 14 -20.352 6.696 -6.845 1.00 0.00 C ATOM 208 O GLU A 14 -21.141 5.871 -7.302 1.00 0.00 O ATOM 209 CB GLU A 14 -19.965 8.879 -7.870 1.00 0.00 C ATOM 210 CG GLU A 14 -20.539 10.260 -8.190 1.00 0.00 C ATOM 211 CD GLU A 14 -21.968 10.141 -8.700 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.285 9.404 -9.672 1.00 0.00 O ATOM 213 OE2 GLU A 14 -22.831 10.921 -8.217 1.00 0.00 O ATOM 0 H GLU A 14 -19.659 9.538 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.787 8.129 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.915 8.988 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.000 8.265 -8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.517 10.885 -7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.919 10.753 -8.939 1.00 0.00 H new ATOM 220 N ALA A 15 -19.146 6.384 -6.338 1.00 0.00 N ATOM 221 CA ALA A 15 -18.620 5.056 -6.280 1.00 0.00 C ATOM 222 C ALA A 15 -19.470 4.154 -5.452 1.00 0.00 C ATOM 223 O ALA A 15 -19.426 2.947 -5.684 1.00 0.00 O ATOM 224 CB ALA A 15 -17.173 4.994 -5.762 1.00 0.00 C ATOM 0 H ALA A 15 -18.512 7.085 -5.953 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.623 4.712 -7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.837 3.957 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.526 5.574 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.129 5.407 -4.754 1.00 0.00 H new ATOM 230 N PHE A 16 -20.220 4.673 -4.463 1.00 0.00 N ATOM 231 CA PHE A 16 -21.186 3.910 -3.737 1.00 0.00 C ATOM 232 C PHE A 16 -22.226 3.270 -4.591 1.00 0.00 C ATOM 233 O PHE A 16 -22.504 2.078 -4.465 1.00 0.00 O ATOM 234 CB PHE A 16 -21.900 4.850 -2.750 1.00 0.00 C ATOM 235 CG PHE A 16 -22.511 4.039 -1.661 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.719 3.393 -1.784 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.793 3.750 -0.524 1.00 0.00 C ATOM 238 CE1 PHE A 16 -24.285 2.694 -0.744 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.229 2.876 0.443 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.526 2.427 0.371 1.00 0.00 C ATOM 0 H PHE A 16 -20.153 5.645 -4.162 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.640 3.106 -3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -21.192 5.566 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.668 5.425 -3.267 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.240 3.436 -2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.838 4.235 -0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -25.310 2.360 -0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.572 2.552 1.236 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.949 1.864 1.190 1.00 0.00 H new ATOM 250 N SER A 17 -22.812 4.015 -5.544 1.00 0.00 N ATOM 251 CA SER A 17 -23.918 3.506 -6.293 1.00 0.00 C ATOM 252 C SER A 17 -23.433 2.434 -7.207 1.00 0.00 C ATOM 253 O SER A 17 -24.226 1.576 -7.591 1.00 0.00 O ATOM 254 CB SER A 17 -24.550 4.674 -7.068 1.00 0.00 C ATOM 255 OG SER A 17 -25.035 5.642 -6.149 1.00 0.00 O ATOM 0 H SER A 17 -22.524 4.961 -5.795 1.00 0.00 H new ATOM 0 HA SER A 17 -24.675 3.070 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.813 5.125 -7.733 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.365 4.311 -7.694 1.00 0.00 H new ATOM 0 HG SER A 17 -25.437 6.388 -6.641 1.00 0.00 H new ATOM 261 N LEU A 18 -22.177 2.563 -7.669 1.00 0.00 N ATOM 262 CA LEU A 18 -21.528 1.576 -8.476 1.00 0.00 C ATOM 263 C LEU A 18 -21.377 0.226 -7.864 1.00 0.00 C ATOM 264 O LEU A 18 -21.706 -0.740 -8.549 1.00 0.00 O ATOM 265 CB LEU A 18 -20.138 2.036 -8.949 1.00 0.00 C ATOM 266 CG LEU A 18 -20.124 3.269 -9.869 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.724 3.606 -10.410 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.143 3.269 -11.021 1.00 0.00 C ATOM 0 H LEU A 18 -21.595 3.378 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.219 1.472 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.529 2.253 -8.072 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.660 1.208 -9.473 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.447 4.057 -9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.784 4.485 -11.052 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.051 3.810 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.343 2.762 -10.985 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.038 4.187 -11.599 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.962 2.410 -11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.152 3.210 -10.614 1.00 0.00 H new ATOM 280 N PHE A 19 -21.034 0.184 -6.564 1.00 0.00 N ATOM 281 CA PHE A 19 -21.102 -0.957 -5.704 1.00 0.00 C ATOM 282 C PHE A 19 -22.467 -1.437 -5.348 1.00 0.00 C ATOM 283 O PHE A 19 -22.725 -2.620 -5.566 1.00 0.00 O ATOM 284 CB PHE A 19 -20.296 -0.811 -4.402 1.00 0.00 C ATOM 285 CG PHE A 19 -18.834 -0.942 -4.658 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.216 -2.129 -4.971 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.061 0.185 -4.500 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.846 -2.165 -5.092 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.704 0.169 -4.717 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.097 -1.012 -5.075 1.00 0.00 C ATOM 0 H PHE A 19 -20.683 1.010 -6.079 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.646 -1.712 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.503 0.159 -3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.613 -1.571 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.800 -3.025 -5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.534 1.108 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.349 -3.118 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.122 1.072 -4.608 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.050 -1.033 -5.338 1.00 0.00 H new ATOM 300 N ASP A 20 -23.270 -0.616 -4.648 1.00 0.00 N ATOM 301 CA ASP A 20 -24.613 -1.022 -4.369 1.00 0.00 C ATOM 302 C ASP A 20 -25.446 -1.213 -5.589 1.00 0.00 C ATOM 303 O ASP A 20 -25.728 -0.251 -6.302 1.00 0.00 O ATOM 304 CB ASP A 20 -25.284 0.035 -3.476 1.00 0.00 C ATOM 305 CG ASP A 20 -26.610 -0.367 -2.845 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.964 -1.571 -2.960 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.353 0.523 -2.352 1.00 0.00 O ATOM 0 H ASP A 20 -23.003 0.299 -4.285 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.548 -1.990 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.591 0.300 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.445 0.934 -4.070 1.00 0.00 H new ATOM 312 N LYS A 21 -25.936 -2.447 -5.802 1.00 0.00 N ATOM 313 CA LYS A 21 -26.661 -2.784 -6.987 1.00 0.00 C ATOM 314 C LYS A 21 -28.129 -2.560 -6.858 1.00 0.00 C ATOM 315 O LYS A 21 -28.634 -1.617 -7.465 1.00 0.00 O ATOM 316 CB LYS A 21 -26.386 -4.248 -7.369 1.00 0.00 C ATOM 317 CG LYS A 21 -26.815 -4.559 -8.805 1.00 0.00 C ATOM 318 CD LYS A 21 -26.184 -5.818 -9.403 1.00 0.00 C ATOM 319 CE LYS A 21 -26.652 -6.018 -10.845 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.170 -4.860 -11.630 1.00 0.00 N ATOM 0 H LYS A 21 -25.828 -3.220 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.309 -2.117 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.323 -4.458 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.916 -4.907 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.899 -4.665 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.563 -3.708 -9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.097 -5.736 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.453 -6.687 -8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.257 -6.949 -11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.739 -6.087 -10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.779 -5.192 -12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.962 -4.211 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.430 -4.362 -11.095 1.00 0.00 H new ATOM 334 N ASP A 22 -28.794 -3.386 -6.031 1.00 0.00 N ATOM 335 CA ASP A 22 -30.202 -3.277 -5.806 1.00 0.00 C ATOM 336 C ASP A 22 -30.647 -1.978 -5.226 1.00 0.00 C ATOM 337 O ASP A 22 -31.839 -1.682 -5.276 1.00 0.00 O ATOM 338 CB ASP A 22 -30.748 -4.533 -5.106 1.00 0.00 C ATOM 339 CG ASP A 22 -29.980 -4.935 -3.855 1.00 0.00 C ATOM 340 OD1 ASP A 22 -29.415 -4.058 -3.148 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.070 -6.143 -3.507 1.00 0.00 O ATOM 0 H ASP A 22 -28.348 -4.141 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.675 -3.246 -6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.791 -4.362 -4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.732 -5.364 -5.811 1.00 0.00 H new ATOM 346 N GLY A 23 -29.773 -1.078 -4.742 1.00 0.00 N ATOM 347 CA GLY A 23 -29.916 0.315 -4.449 1.00 0.00 C ATOM 348 C GLY A 23 -30.603 0.597 -3.158 1.00 0.00 C ATOM 349 O GLY A 23 -31.371 1.554 -3.064 1.00 0.00 O ATOM 0 H GLY A 23 -28.823 -1.380 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.928 0.775 -4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.474 0.790 -5.256 1.00 0.00 H new ATOM 353 N ASP A 24 -30.423 -0.239 -2.120 1.00 0.00 N ATOM 354 CA ASP A 24 -31.005 0.006 -0.837 1.00 0.00 C ATOM 355 C ASP A 24 -30.380 1.070 -0.001 1.00 0.00 C ATOM 356 O ASP A 24 -30.923 1.849 0.780 1.00 0.00 O ATOM 357 CB ASP A 24 -31.041 -1.235 0.072 1.00 0.00 C ATOM 358 CG ASP A 24 -29.650 -1.814 0.283 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.902 -2.043 -0.705 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.241 -2.059 1.449 1.00 0.00 O ATOM 0 H ASP A 24 -29.868 -1.093 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.997 0.332 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.475 -0.969 1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.688 -1.992 -0.371 1.00 0.00 H new ATOM 365 N GLY A 25 -29.051 1.184 -0.171 1.00 0.00 N ATOM 366 CA GLY A 25 -28.141 2.058 0.503 1.00 0.00 C ATOM 367 C GLY A 25 -27.142 1.424 1.409 1.00 0.00 C ATOM 368 O GLY A 25 -26.532 2.121 2.219 1.00 0.00 O ATOM 0 H GLY A 25 -28.565 0.601 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.600 2.631 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.724 2.770 1.087 1.00 0.00 H new ATOM 372 N THR A 26 -26.922 0.114 1.197 1.00 0.00 N ATOM 373 CA THR A 26 -25.838 -0.595 1.801 1.00 0.00 C ATOM 374 C THR A 26 -25.236 -1.530 0.810 1.00 0.00 C ATOM 375 O THR A 26 -25.866 -2.098 -0.081 1.00 0.00 O ATOM 376 CB THR A 26 -26.138 -1.352 3.062 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.062 -2.426 2.969 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.690 -0.363 4.102 1.00 0.00 C ATOM 0 H THR A 26 -27.509 -0.463 0.594 1.00 0.00 H new ATOM 0 HA THR A 26 -25.151 0.193 2.108 1.00 0.00 H new ATOM 0 HB THR A 26 -25.187 -1.811 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.702 -2.245 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.914 -0.895 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.947 0.410 4.299 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.600 0.098 3.719 1.00 0.00 H new ATOM 386 N ILE A 27 -23.925 -1.801 0.945 1.00 0.00 N ATOM 387 CA ILE A 27 -23.255 -2.759 0.121 1.00 0.00 C ATOM 388 C ILE A 27 -23.073 -4.096 0.753 1.00 0.00 C ATOM 389 O ILE A 27 -22.563 -4.239 1.864 1.00 0.00 O ATOM 390 CB ILE A 27 -21.938 -2.370 -0.483 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.833 -0.871 -0.809 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.608 -3.224 -1.719 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.387 -0.395 -0.935 1.00 0.00 C ATOM 0 H ILE A 27 -23.323 -1.350 1.634 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.979 -2.802 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.192 -2.571 0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.360 -0.668 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -22.333 -0.298 -0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.647 -2.914 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.558 -4.275 -1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.385 -3.090 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.373 0.670 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.863 -0.569 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.891 -0.946 -1.734 1.00 0.00 H new ATOM 405 N THR A 28 -23.567 -5.176 0.123 1.00 0.00 N ATOM 406 CA THR A 28 -23.332 -6.495 0.625 1.00 0.00 C ATOM 407 C THR A 28 -22.027 -7.067 0.190 1.00 0.00 C ATOM 408 O THR A 28 -21.384 -6.528 -0.709 1.00 0.00 O ATOM 409 CB THR A 28 -24.417 -7.429 0.177 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.632 -7.412 -1.227 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.730 -6.912 0.791 1.00 0.00 C ATOM 0 H THR A 28 -24.126 -5.138 -0.729 1.00 0.00 H new ATOM 0 HA THR A 28 -23.319 -6.397 1.711 1.00 0.00 H new ATOM 0 HB THR A 28 -24.125 -8.435 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.970 -6.532 -1.496 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.552 -7.562 0.492 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.647 -6.909 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.922 -5.899 0.439 1.00 0.00 H new ATOM 419 N THR A 29 -21.677 -8.226 0.776 1.00 0.00 N ATOM 420 CA THR A 29 -20.515 -8.967 0.398 1.00 0.00 C ATOM 421 C THR A 29 -20.494 -9.490 -0.998 1.00 0.00 C ATOM 422 O THR A 29 -19.445 -9.558 -1.636 1.00 0.00 O ATOM 423 CB THR A 29 -20.106 -10.085 1.311 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.248 -9.668 2.661 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.591 -10.318 1.188 1.00 0.00 C ATOM 0 H THR A 29 -22.213 -8.657 1.529 1.00 0.00 H new ATOM 0 HA THR A 29 -19.783 -8.164 0.486 1.00 0.00 H new ATOM 0 HB THR A 29 -20.708 -10.957 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 29 -19.983 -10.398 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.293 -11.130 1.851 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.346 -10.581 0.159 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.059 -9.408 1.467 1.00 0.00 H new ATOM 433 N LYS A 30 -21.679 -9.842 -1.527 1.00 0.00 N ATOM 434 CA LYS A 30 -21.918 -10.265 -2.872 1.00 0.00 C ATOM 435 C LYS A 30 -21.709 -9.098 -3.775 1.00 0.00 C ATOM 436 O LYS A 30 -21.047 -9.249 -4.801 1.00 0.00 O ATOM 437 CB LYS A 30 -23.357 -10.776 -3.057 1.00 0.00 C ATOM 438 CG LYS A 30 -23.698 -12.068 -2.311 1.00 0.00 C ATOM 439 CD LYS A 30 -25.142 -12.568 -2.379 1.00 0.00 C ATOM 440 CE LYS A 30 -25.440 -13.626 -1.315 1.00 0.00 C ATOM 441 NZ LYS A 30 -26.824 -14.112 -1.514 1.00 0.00 N ATOM 0 H LYS A 30 -22.534 -9.830 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.233 -11.080 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -24.046 -9.996 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.534 -10.934 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.051 -12.857 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.441 -11.927 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.822 -11.726 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.334 -12.986 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.733 -14.452 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.327 -13.203 -0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.045 -14.833 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.488 -13.317 -1.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.913 -14.528 -2.463 1.00 0.00 H new ATOM 455 N GLU A 31 -22.237 -7.908 -3.438 1.00 0.00 N ATOM 456 CA GLU A 31 -22.157 -6.769 -4.300 1.00 0.00 C ATOM 457 C GLU A 31 -20.770 -6.234 -4.390 1.00 0.00 C ATOM 458 O GLU A 31 -20.185 -6.077 -5.461 1.00 0.00 O ATOM 459 CB GLU A 31 -23.075 -5.645 -3.789 1.00 0.00 C ATOM 460 CG GLU A 31 -24.564 -5.890 -4.042 1.00 0.00 C ATOM 461 CD GLU A 31 -25.487 -4.983 -3.241 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.193 -4.799 -2.030 1.00 0.00 O ATOM 463 OE2 GLU A 31 -26.476 -4.466 -3.827 1.00 0.00 O ATOM 0 H GLU A 31 -22.724 -7.733 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.472 -7.101 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.915 -5.519 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.786 -4.709 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.769 -5.753 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.796 -6.928 -3.804 1.00 0.00 H new ATOM 470 N LEU A 32 -20.048 -6.203 -3.255 1.00 0.00 N ATOM 471 CA LEU A 32 -18.638 -5.997 -3.136 1.00 0.00 C ATOM 472 C LEU A 32 -17.852 -6.995 -3.914 1.00 0.00 C ATOM 473 O LEU A 32 -17.045 -6.617 -4.761 1.00 0.00 O ATOM 474 CB LEU A 32 -18.091 -6.114 -1.704 1.00 0.00 C ATOM 475 CG LEU A 32 -18.353 -4.895 -0.803 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.784 -5.118 0.609 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.650 -3.644 -1.357 1.00 0.00 C ATOM 0 H LEU A 32 -20.490 -6.333 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.521 -4.979 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.531 -6.994 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.016 -6.284 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.434 -4.760 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.983 -4.241 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.257 -5.991 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.708 -5.280 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.850 -2.795 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.576 -3.821 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.026 -3.428 -2.357 1.00 0.00 H new ATOM 489 N GLY A 33 -18.039 -8.302 -3.654 1.00 0.00 N ATOM 490 CA GLY A 33 -17.219 -9.434 -3.954 1.00 0.00 C ATOM 491 C GLY A 33 -17.136 -9.718 -5.414 1.00 0.00 C ATOM 492 O GLY A 33 -16.110 -10.018 -6.023 1.00 0.00 O ATOM 0 H GLY A 33 -18.884 -8.599 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.215 -9.263 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.615 -10.310 -3.440 1.00 0.00 H new ATOM 496 N THR A 34 -18.283 -9.644 -6.114 1.00 0.00 N ATOM 497 CA THR A 34 -18.279 -9.816 -7.534 1.00 0.00 C ATOM 498 C THR A 34 -17.559 -8.723 -8.247 1.00 0.00 C ATOM 499 O THR A 34 -16.910 -8.938 -9.269 1.00 0.00 O ATOM 500 CB THR A 34 -19.684 -9.909 -8.050 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.460 -10.982 -7.537 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.823 -10.051 -9.575 1.00 0.00 C ATOM 0 H THR A 34 -19.200 -9.468 -5.704 1.00 0.00 H new ATOM 0 HA THR A 34 -17.744 -10.744 -7.734 1.00 0.00 H new ATOM 0 HB THR A 34 -20.052 -8.945 -7.699 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.776 -10.756 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.879 -10.110 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.374 -9.186 -10.063 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.315 -10.958 -9.904 1.00 0.00 H new ATOM 510 N VAL A 35 -17.647 -7.477 -7.750 1.00 0.00 N ATOM 511 CA VAL A 35 -16.914 -6.371 -8.283 1.00 0.00 C ATOM 512 C VAL A 35 -15.458 -6.508 -8.000 1.00 0.00 C ATOM 513 O VAL A 35 -14.578 -6.167 -8.789 1.00 0.00 O ATOM 514 CB VAL A 35 -17.512 -5.043 -7.923 1.00 0.00 C ATOM 515 CG1 VAL A 35 -16.537 -3.894 -8.230 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.884 -4.851 -8.592 1.00 0.00 C ATOM 0 H VAL A 35 -18.242 -7.232 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.004 -6.398 -9.369 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.685 -5.027 -6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.997 -2.944 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.621 -4.031 -7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.300 -3.892 -9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.292 -3.880 -8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.771 -4.899 -9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.562 -5.638 -8.263 1.00 0.00 H new ATOM 526 N MET A 36 -14.960 -7.072 -6.884 1.00 0.00 N ATOM 527 CA MET A 36 -13.598 -7.487 -6.751 1.00 0.00 C ATOM 528 C MET A 36 -13.085 -8.532 -7.680 1.00 0.00 C ATOM 529 O MET A 36 -11.952 -8.456 -8.153 1.00 0.00 O ATOM 530 CB MET A 36 -13.265 -7.729 -5.269 1.00 0.00 C ATOM 531 CG MET A 36 -13.368 -6.426 -4.474 1.00 0.00 C ATOM 532 SD MET A 36 -13.321 -6.653 -2.670 1.00 0.00 S ATOM 533 CE MET A 36 -11.615 -7.176 -2.331 1.00 0.00 C ATOM 0 H MET A 36 -15.522 -7.244 -6.050 1.00 0.00 H new ATOM 0 HA MET A 36 -13.016 -6.642 -7.118 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.948 -8.470 -4.853 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.259 -8.138 -5.179 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.551 -5.768 -4.768 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.296 -5.921 -4.742 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.490 -7.338 -1.260 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.406 -8.103 -2.865 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.924 -6.401 -2.664 1.00 0.00 H new ATOM 543 N ARG A 37 -13.987 -9.441 -8.091 1.00 0.00 N ATOM 544 CA ARG A 37 -13.680 -10.401 -9.106 1.00 0.00 C ATOM 545 C ARG A 37 -13.554 -9.683 -10.405 1.00 0.00 C ATOM 546 O ARG A 37 -12.708 -10.110 -11.189 1.00 0.00 O ATOM 547 CB ARG A 37 -14.779 -11.465 -9.266 1.00 0.00 C ATOM 548 CG ARG A 37 -14.449 -12.623 -10.209 1.00 0.00 C ATOM 549 CD ARG A 37 -13.371 -13.656 -9.873 1.00 0.00 C ATOM 550 NE ARG A 37 -12.047 -12.995 -10.052 1.00 0.00 N ATOM 551 CZ ARG A 37 -11.369 -12.986 -11.237 1.00 0.00 C ATOM 552 NH1 ARG A 37 -11.799 -13.575 -12.391 1.00 0.00 N ATOM 553 NH2 ARG A 37 -10.083 -12.529 -11.252 1.00 0.00 N ATOM 0 H ARG A 37 -14.934 -9.511 -7.718 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.758 -10.905 -8.815 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.008 -11.875 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.684 -10.975 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.376 -13.175 -10.367 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.174 -12.181 -11.167 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.487 -14.012 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.457 -14.526 -10.524 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.627 -12.526 -9.249 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.691 -14.070 -12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.228 -13.520 -13.235 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.647 -12.203 -10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.558 -12.513 -12.126 1.00 0.00 H new ATOM 567 N SER A 38 -14.367 -8.654 -10.702 1.00 0.00 N ATOM 568 CA SER A 38 -14.142 -7.897 -11.895 1.00 0.00 C ATOM 569 C SER A 38 -12.902 -7.074 -11.844 1.00 0.00 C ATOM 570 O SER A 38 -12.309 -6.829 -12.893 1.00 0.00 O ATOM 571 CB SER A 38 -15.336 -6.963 -12.156 1.00 0.00 C ATOM 572 OG SER A 38 -16.546 -7.689 -12.307 1.00 0.00 O ATOM 0 H SER A 38 -15.159 -8.351 -10.135 1.00 0.00 H new ATOM 0 HA SER A 38 -14.026 -8.623 -12.699 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.435 -6.259 -11.330 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.149 -6.376 -13.055 1.00 0.00 H new ATOM 0 HG SER A 38 -16.784 -8.109 -11.454 1.00 0.00 H new ATOM 578 N LEU A 39 -12.264 -6.722 -10.714 1.00 0.00 N ATOM 579 CA LEU A 39 -11.008 -6.038 -10.677 1.00 0.00 C ATOM 580 C LEU A 39 -9.888 -7.018 -10.603 1.00 0.00 C ATOM 581 O LEU A 39 -8.730 -6.703 -10.333 1.00 0.00 O ATOM 582 CB LEU A 39 -10.924 -5.158 -9.419 1.00 0.00 C ATOM 583 CG LEU A 39 -11.958 -4.024 -9.511 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.146 -3.254 -8.193 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.568 -3.018 -10.607 1.00 0.00 C ATOM 0 H LEU A 39 -12.639 -6.922 -9.787 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.931 -5.433 -11.581 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.108 -5.760 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.921 -4.742 -9.321 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.902 -4.514 -9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.890 -2.469 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.484 -3.940 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.198 -2.806 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.314 -2.224 -10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.594 -2.587 -10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.520 -3.528 -11.569 1.00 0.00 H new ATOM 597 N GLY A 40 -10.205 -8.288 -10.913 1.00 0.00 N ATOM 598 CA GLY A 40 -9.250 -9.329 -11.137 1.00 0.00 C ATOM 599 C GLY A 40 -8.802 -10.066 -9.923 1.00 0.00 C ATOM 600 O GLY A 40 -7.821 -10.804 -10.002 1.00 0.00 O ATOM 0 H GLY A 40 -11.170 -8.603 -11.012 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.679 -10.046 -11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.374 -8.896 -11.620 1.00 0.00 H new ATOM 604 N GLN A 41 -9.389 -9.835 -8.735 1.00 0.00 N ATOM 605 CA GLN A 41 -8.956 -10.399 -7.495 1.00 0.00 C ATOM 606 C GLN A 41 -9.738 -11.623 -7.163 1.00 0.00 C ATOM 607 O GLN A 41 -10.640 -11.978 -7.920 1.00 0.00 O ATOM 608 CB GLN A 41 -9.060 -9.329 -6.394 1.00 0.00 C ATOM 609 CG GLN A 41 -8.016 -8.231 -6.609 1.00 0.00 C ATOM 610 CD GLN A 41 -6.555 -8.595 -6.389 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.131 -9.591 -5.804 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.653 -7.662 -6.795 1.00 0.00 N ATOM 0 H GLN A 41 -10.202 -9.227 -8.635 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.915 -10.711 -7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.059 -8.894 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.915 -9.790 -5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.121 -7.863 -7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.259 -7.402 -5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.970 -6.824 -7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.659 -7.800 -6.612 1.00 0.00 H new ATOM 621 N ASN A 42 -9.397 -12.425 -6.138 1.00 0.00 N ATOM 622 CA ASN A 42 -10.177 -13.539 -5.696 1.00 0.00 C ATOM 623 C ASN A 42 -9.804 -13.927 -4.306 1.00 0.00 C ATOM 624 O ASN A 42 -9.284 -15.025 -4.112 1.00 0.00 O ATOM 625 CB ASN A 42 -10.028 -14.703 -6.690 1.00 0.00 C ATOM 626 CG ASN A 42 -11.019 -15.822 -6.404 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.948 -15.646 -5.617 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.843 -16.932 -7.169 1.00 0.00 N ATOM 0 H ASN A 42 -8.544 -12.292 -5.596 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.230 -13.258 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.178 -14.335 -7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.012 -15.096 -6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.512 -17.700 -7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.042 -16.997 -7.798 1.00 0.00 H new ATOM 635 N PRO A 43 -10.032 -13.160 -3.282 1.00 0.00 N ATOM 636 CA PRO A 43 -10.058 -13.581 -1.911 1.00 0.00 C ATOM 637 C PRO A 43 -11.211 -14.496 -1.682 1.00 0.00 C ATOM 638 O PRO A 43 -12.183 -14.468 -2.435 1.00 0.00 O ATOM 639 CB PRO A 43 -10.348 -12.333 -1.081 1.00 0.00 C ATOM 640 CG PRO A 43 -10.950 -11.313 -2.061 1.00 0.00 C ATOM 641 CD PRO A 43 -10.319 -11.738 -3.396 1.00 0.00 C ATOM 0 HA PRO A 43 -9.120 -14.074 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.042 -12.554 -0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.437 -11.946 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.038 -11.368 -2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.689 -10.289 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.999 -11.545 -4.226 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.408 -11.173 -3.592 1.00 0.00 H new ATOM 649 N THR A 44 -11.299 -15.195 -0.536 1.00 0.00 N ATOM 650 CA THR A 44 -12.448 -15.986 -0.223 1.00 0.00 C ATOM 651 C THR A 44 -13.519 -15.167 0.413 1.00 0.00 C ATOM 652 O THR A 44 -13.241 -14.014 0.739 1.00 0.00 O ATOM 653 CB THR A 44 -12.220 -17.129 0.720 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.600 -16.748 1.940 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.410 -18.188 -0.047 1.00 0.00 C ATOM 0 H THR A 44 -10.570 -15.212 0.177 1.00 0.00 H new ATOM 0 HA THR A 44 -12.725 -16.383 -1.200 1.00 0.00 H new ATOM 0 HB THR A 44 -13.181 -17.534 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.642 -16.604 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.220 -19.042 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.974 -18.515 -0.920 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.461 -17.758 -0.368 1.00 0.00 H new ATOM 663 N GLU A 45 -14.800 -15.568 0.499 1.00 0.00 N ATOM 664 CA GLU A 45 -15.831 -14.870 1.203 1.00 0.00 C ATOM 665 C GLU A 45 -15.583 -14.598 2.646 1.00 0.00 C ATOM 666 O GLU A 45 -15.922 -13.584 3.255 1.00 0.00 O ATOM 667 CB GLU A 45 -17.132 -15.681 1.081 1.00 0.00 C ATOM 668 CG GLU A 45 -17.795 -15.749 -0.296 1.00 0.00 C ATOM 669 CD GLU A 45 -19.012 -16.663 -0.280 1.00 0.00 C ATOM 670 OE1 GLU A 45 -18.843 -17.841 0.133 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.169 -16.210 -0.489 1.00 0.00 O ATOM 0 H GLU A 45 -15.133 -16.423 0.054 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.880 -13.887 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.924 -16.701 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.855 -15.265 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.093 -14.748 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.076 -16.111 -1.031 1.00 0.00 H new ATOM 678 N ALA A 46 -14.876 -15.558 3.268 1.00 0.00 N ATOM 679 CA ALA A 46 -14.331 -15.381 4.578 1.00 0.00 C ATOM 680 C ALA A 46 -13.222 -14.391 4.685 1.00 0.00 C ATOM 681 O ALA A 46 -13.202 -13.553 5.585 1.00 0.00 O ATOM 682 CB ALA A 46 -13.678 -16.721 4.957 1.00 0.00 C ATOM 0 H ALA A 46 -14.680 -16.470 2.856 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.154 -15.035 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.243 -16.645 5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.432 -17.508 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.896 -16.961 4.237 1.00 0.00 H new ATOM 688 N GLU A 47 -12.280 -14.225 3.739 1.00 0.00 N ATOM 689 CA GLU A 47 -11.349 -13.141 3.789 1.00 0.00 C ATOM 690 C GLU A 47 -11.977 -11.798 3.633 1.00 0.00 C ATOM 691 O GLU A 47 -11.625 -10.900 4.396 1.00 0.00 O ATOM 692 CB GLU A 47 -10.254 -13.360 2.731 1.00 0.00 C ATOM 693 CG GLU A 47 -9.273 -14.422 3.232 1.00 0.00 C ATOM 694 CD GLU A 47 -8.607 -14.983 1.984 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.249 -15.685 1.157 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.365 -14.845 1.822 1.00 0.00 O ATOM 0 H GLU A 47 -12.163 -14.844 2.937 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.914 -13.141 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.701 -13.677 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.728 -12.425 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.536 -13.988 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.791 -15.205 3.786 1.00 0.00 H new ATOM 703 N LEU A 48 -12.967 -11.662 2.733 1.00 0.00 N ATOM 704 CA LEU A 48 -13.884 -10.586 2.518 1.00 0.00 C ATOM 705 C LEU A 48 -14.551 -10.270 3.812 1.00 0.00 C ATOM 706 O LEU A 48 -14.697 -9.077 4.073 1.00 0.00 O ATOM 707 CB LEU A 48 -14.980 -10.950 1.501 1.00 0.00 C ATOM 708 CG LEU A 48 -14.641 -10.890 0.002 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.363 -11.817 -0.991 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.846 -9.433 -0.443 1.00 0.00 C ATOM 0 H LEU A 48 -13.144 -12.414 2.067 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.319 -9.740 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.316 -11.963 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.827 -10.287 1.676 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.620 -11.270 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.992 -11.630 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.175 -12.856 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.435 -11.622 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.616 -9.341 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.882 -9.142 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.185 -8.782 0.129 1.00 0.00 H new ATOM 722 N GLN A 49 -15.027 -11.226 4.630 1.00 0.00 N ATOM 723 CA GLN A 49 -15.753 -10.950 5.831 1.00 0.00 C ATOM 724 C GLN A 49 -14.904 -10.240 6.828 1.00 0.00 C ATOM 725 O GLN A 49 -15.349 -9.319 7.512 1.00 0.00 O ATOM 726 CB GLN A 49 -16.213 -12.291 6.427 1.00 0.00 C ATOM 727 CG GLN A 49 -17.165 -12.038 7.598 1.00 0.00 C ATOM 728 CD GLN A 49 -18.065 -13.198 7.997 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.141 -13.330 7.417 1.00 0.00 O ATOM 730 NE2 GLN A 49 -17.682 -13.988 9.036 1.00 0.00 N ATOM 0 H GLN A 49 -14.903 -12.222 4.450 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.602 -10.308 5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.712 -12.887 5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.350 -12.864 6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.571 -11.751 8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.796 -11.185 7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.778 -13.838 9.484 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.299 -14.730 9.367 1.00 0.00 H new ATOM 739 N ASP A 50 -13.621 -10.639 6.876 1.00 0.00 N ATOM 740 CA ASP A 50 -12.662 -10.001 7.723 1.00 0.00 C ATOM 741 C ASP A 50 -12.420 -8.570 7.385 1.00 0.00 C ATOM 742 O ASP A 50 -12.549 -7.698 8.242 1.00 0.00 O ATOM 743 CB ASP A 50 -11.262 -10.632 7.640 1.00 0.00 C ATOM 744 CG ASP A 50 -11.198 -12.018 8.266 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.671 -12.116 9.430 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.496 -12.927 7.747 1.00 0.00 O ATOM 0 H ASP A 50 -13.245 -11.410 6.323 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.115 -10.118 8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.960 -10.697 6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.545 -9.980 8.139 1.00 0.00 H new ATOM 751 N MET A 51 -12.184 -8.416 6.070 1.00 0.00 N ATOM 752 CA MET A 51 -12.052 -7.132 5.455 1.00 0.00 C ATOM 753 C MET A 51 -13.230 -6.276 5.774 1.00 0.00 C ATOM 754 O MET A 51 -13.121 -5.064 5.949 1.00 0.00 O ATOM 755 CB MET A 51 -11.864 -7.209 3.930 1.00 0.00 C ATOM 756 CG MET A 51 -10.525 -7.840 3.542 1.00 0.00 C ATOM 757 SD MET A 51 -10.375 -8.194 1.765 1.00 0.00 S ATOM 758 CE MET A 51 -8.977 -9.354 1.737 1.00 0.00 C ATOM 0 H MET A 51 -12.083 -9.197 5.422 1.00 0.00 H new ATOM 0 HA MET A 51 -11.147 -6.687 5.868 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.677 -7.790 3.495 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.927 -6.206 3.507 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.718 -7.171 3.840 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.394 -8.767 4.101 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.864 -9.764 0.733 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.064 -8.830 2.020 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.163 -10.165 2.441 1.00 0.00 H new ATOM 768 N ILE A 52 -14.455 -6.831 5.766 1.00 0.00 N ATOM 769 CA ILE A 52 -15.650 -6.137 6.134 1.00 0.00 C ATOM 770 C ILE A 52 -15.780 -5.889 7.597 1.00 0.00 C ATOM 771 O ILE A 52 -16.081 -4.754 7.964 1.00 0.00 O ATOM 772 CB ILE A 52 -16.876 -6.788 5.565 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.857 -6.807 4.027 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.176 -6.191 6.128 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.920 -7.708 3.400 1.00 0.00 C ATOM 0 H ILE A 52 -14.619 -7.800 5.493 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.560 -5.150 5.681 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.855 -7.828 5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.996 -5.790 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.874 -7.135 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.032 -6.698 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.198 -6.323 7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.221 -5.128 5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.839 -7.665 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.770 -8.735 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.910 -7.368 3.704 1.00 0.00 H new ATOM 787 N ASN A 53 -15.553 -6.858 8.502 1.00 0.00 N ATOM 788 CA ASN A 53 -15.607 -6.712 9.923 1.00 0.00 C ATOM 789 C ASN A 53 -14.638 -5.723 10.475 1.00 0.00 C ATOM 790 O ASN A 53 -15.007 -4.955 11.362 1.00 0.00 O ATOM 791 CB ASN A 53 -15.465 -8.045 10.678 1.00 0.00 C ATOM 792 CG ASN A 53 -16.851 -8.639 10.882 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.896 -8.003 10.752 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.906 -9.986 11.061 1.00 0.00 N ATOM 0 H ASN A 53 -15.315 -7.809 8.220 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.610 -6.320 10.094 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.838 -8.734 10.113 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.977 -7.885 11.639 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.808 -10.461 11.087 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.045 -10.522 11.170 1.00 0.00 H new ATOM 801 N GLU A 54 -13.434 -5.571 9.896 1.00 0.00 N ATOM 802 CA GLU A 54 -12.519 -4.489 10.096 1.00 0.00 C ATOM 803 C GLU A 54 -13.088 -3.115 10.007 1.00 0.00 C ATOM 804 O GLU A 54 -12.796 -2.243 10.824 1.00 0.00 O ATOM 805 CB GLU A 54 -11.405 -4.593 9.041 1.00 0.00 C ATOM 806 CG GLU A 54 -10.125 -3.887 9.493 1.00 0.00 C ATOM 807 CD GLU A 54 -9.022 -4.020 8.453 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.216 -4.976 8.604 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.865 -3.066 7.644 1.00 0.00 O ATOM 0 H GLU A 54 -13.073 -6.260 9.236 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.174 -4.603 11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.190 -5.643 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.750 -4.155 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.333 -2.832 9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.788 -4.311 10.439 1.00 0.00 H new ATOM 816 N VAL A 55 -13.896 -2.838 8.968 1.00 0.00 N ATOM 817 CA VAL A 55 -14.387 -1.532 8.653 1.00 0.00 C ATOM 818 C VAL A 55 -15.722 -1.218 9.236 1.00 0.00 C ATOM 819 O VAL A 55 -15.941 -0.090 9.676 1.00 0.00 O ATOM 820 CB VAL A 55 -14.331 -1.146 7.205 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.851 -1.057 6.795 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.032 -2.170 6.296 1.00 0.00 C ATOM 0 H VAL A 55 -14.221 -3.555 8.320 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.655 -0.900 9.156 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.847 -0.193 7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.781 -0.777 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.349 -0.306 7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.373 -2.025 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.963 -1.843 5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.550 -3.142 6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.081 -2.252 6.581 1.00 0.00 H new ATOM 832 N ASP A 56 -16.612 -2.226 9.251 1.00 0.00 N ATOM 833 CA ASP A 56 -17.922 -2.264 9.822 1.00 0.00 C ATOM 834 C ASP A 56 -18.086 -1.748 11.211 1.00 0.00 C ATOM 835 O ASP A 56 -17.635 -2.343 12.188 1.00 0.00 O ATOM 836 CB ASP A 56 -18.651 -3.604 9.623 1.00 0.00 C ATOM 837 CG ASP A 56 -20.140 -3.615 9.937 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.785 -2.533 9.937 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.619 -4.720 10.307 1.00 0.00 O ATOM 0 H ASP A 56 -16.383 -3.117 8.810 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.424 -1.512 9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.518 -3.915 8.587 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.164 -4.354 10.246 1.00 0.00 H new ATOM 844 N ALA A 57 -18.598 -0.516 11.379 1.00 0.00 N ATOM 845 CA ALA A 57 -18.682 0.189 12.620 1.00 0.00 C ATOM 846 C ALA A 57 -19.866 -0.253 13.408 1.00 0.00 C ATOM 847 O ALA A 57 -19.845 -0.287 14.638 1.00 0.00 O ATOM 848 CB ALA A 57 -18.660 1.699 12.325 1.00 0.00 C ATOM 0 H ALA A 57 -18.977 0.021 10.599 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.823 -0.039 13.251 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.723 2.254 13.261 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.733 1.956 11.813 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.508 1.958 11.692 1.00 0.00 H new ATOM 854 N ASP A 58 -20.982 -0.533 12.710 1.00 0.00 N ATOM 855 CA ASP A 58 -22.251 -0.824 13.301 1.00 0.00 C ATOM 856 C ASP A 58 -22.527 -2.274 13.505 1.00 0.00 C ATOM 857 O ASP A 58 -23.318 -2.573 14.399 1.00 0.00 O ATOM 858 CB ASP A 58 -23.389 -0.029 12.639 1.00 0.00 C ATOM 859 CG ASP A 58 -23.944 -0.709 11.396 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.280 -0.612 10.329 1.00 0.00 O ATOM 861 OD2 ASP A 58 -25.013 -1.372 11.464 1.00 0.00 O ATOM 0 H ASP A 58 -21.000 -0.557 11.690 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.196 -0.458 14.326 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.194 0.111 13.360 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.024 0.963 12.372 1.00 0.00 H new ATOM 866 N GLY A 59 -21.986 -3.215 12.711 1.00 0.00 N ATOM 867 CA GLY A 59 -22.189 -4.610 12.951 1.00 0.00 C ATOM 868 C GLY A 59 -23.350 -5.233 12.256 1.00 0.00 C ATOM 869 O GLY A 59 -23.957 -6.131 12.837 1.00 0.00 O ATOM 0 H GLY A 59 -21.405 -3.008 11.899 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.286 -5.144 12.656 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.311 -4.759 14.024 1.00 0.00 H new ATOM 873 N ASN A 60 -23.563 -4.795 11.003 1.00 0.00 N ATOM 874 CA ASN A 60 -24.499 -5.348 10.074 1.00 0.00 C ATOM 875 C ASN A 60 -23.857 -6.203 9.036 1.00 0.00 C ATOM 876 O ASN A 60 -24.557 -7.016 8.434 1.00 0.00 O ATOM 877 CB ASN A 60 -25.456 -4.276 9.525 1.00 0.00 C ATOM 878 CG ASN A 60 -24.775 -3.087 8.862 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.557 -2.934 8.776 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.649 -2.171 8.365 1.00 0.00 N ATOM 0 H ASN A 60 -23.049 -4.004 10.614 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.131 -6.044 10.625 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.124 -4.743 8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.077 -3.911 10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.300 -1.330 7.906 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.654 -2.325 8.451 1.00 0.00 H new ATOM 887 N GLY A 61 -22.539 -6.176 8.771 1.00 0.00 N ATOM 888 CA GLY A 61 -21.986 -7.009 7.749 1.00 0.00 C ATOM 889 C GLY A 61 -22.037 -6.386 6.396 1.00 0.00 C ATOM 890 O GLY A 61 -21.538 -7.033 5.476 1.00 0.00 O ATOM 0 H GLY A 61 -21.864 -5.586 9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.950 -7.240 7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.527 -7.955 7.727 1.00 0.00 H new ATOM 894 N THR A 62 -22.662 -5.202 6.275 1.00 0.00 N ATOM 895 CA THR A 62 -22.887 -4.554 5.020 1.00 0.00 C ATOM 896 C THR A 62 -22.331 -3.173 5.072 1.00 0.00 C ATOM 897 O THR A 62 -22.308 -2.586 6.153 1.00 0.00 O ATOM 898 CB THR A 62 -24.334 -4.540 4.625 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.104 -4.122 5.744 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.852 -5.967 4.381 1.00 0.00 C ATOM 0 H THR A 62 -23.022 -4.679 7.074 1.00 0.00 H new ATOM 0 HA THR A 62 -22.372 -5.128 4.250 1.00 0.00 H new ATOM 0 HB THR A 62 -24.419 -3.904 3.744 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.053 -4.106 5.500 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.903 -5.929 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.276 -6.431 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.745 -6.554 5.293 1.00 0.00 H new ATOM 908 N ILE A 63 -21.866 -2.654 3.922 1.00 0.00 N ATOM 909 CA ILE A 63 -21.156 -1.413 3.964 1.00 0.00 C ATOM 910 C ILE A 63 -21.928 -0.195 3.591 1.00 0.00 C ATOM 911 O ILE A 63 -22.398 0.015 2.473 1.00 0.00 O ATOM 912 CB ILE A 63 -19.795 -1.551 3.349 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.069 -2.619 4.184 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.111 -0.174 3.360 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.589 -2.703 3.813 1.00 0.00 C ATOM 0 H ILE A 63 -21.974 -3.072 2.998 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.992 -1.196 5.019 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.805 -1.869 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -19.168 -2.384 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.541 -3.589 4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.119 -0.257 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.708 0.534 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -19.020 0.179 4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.104 -3.467 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.492 -2.963 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.113 -1.739 3.994 1.00 0.00 H new ATOM 927 N ASP A 64 -22.223 0.714 4.537 1.00 0.00 N ATOM 928 CA ASP A 64 -22.932 1.948 4.396 1.00 0.00 C ATOM 929 C ASP A 64 -22.020 3.069 4.034 1.00 0.00 C ATOM 930 O ASP A 64 -20.792 3.018 4.088 1.00 0.00 O ATOM 931 CB ASP A 64 -23.851 2.204 5.602 1.00 0.00 C ATOM 932 CG ASP A 64 -23.168 1.802 6.900 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.295 0.608 7.283 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.794 2.751 7.640 1.00 0.00 O ATOM 0 H ASP A 64 -21.932 0.566 5.503 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.610 1.873 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.122 3.259 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.777 1.641 5.484 1.00 0.00 H new ATOM 939 N PHE A 65 -22.598 4.256 3.774 1.00 0.00 N ATOM 940 CA PHE A 65 -21.891 5.434 3.377 1.00 0.00 C ATOM 941 C PHE A 65 -20.862 6.025 4.277 1.00 0.00 C ATOM 942 O PHE A 65 -19.776 6.166 3.718 1.00 0.00 O ATOM 943 CB PHE A 65 -22.817 6.484 2.739 1.00 0.00 C ATOM 944 CG PHE A 65 -22.183 7.758 2.298 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.313 7.651 1.239 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.605 9.002 2.704 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.690 8.778 0.759 1.00 0.00 C ATOM 948 CE2 PHE A 65 -22.022 10.118 2.152 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.997 10.030 1.239 1.00 0.00 C ATOM 0 H PHE A 65 -23.605 4.401 3.844 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.231 5.018 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.302 6.029 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.602 6.725 3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.121 6.689 0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -23.383 9.101 3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.942 8.678 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -22.380 11.094 2.444 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.456 10.906 0.913 1.00 0.00 H new ATOM 959 N PRO A 66 -20.985 6.467 5.493 1.00 0.00 N ATOM 960 CA PRO A 66 -19.964 7.055 6.311 1.00 0.00 C ATOM 961 C PRO A 66 -18.830 6.111 6.515 1.00 0.00 C ATOM 962 O PRO A 66 -17.707 6.542 6.774 1.00 0.00 O ATOM 963 CB PRO A 66 -20.686 7.422 7.606 1.00 0.00 C ATOM 964 CG PRO A 66 -21.948 6.548 7.688 1.00 0.00 C ATOM 965 CD PRO A 66 -22.265 6.484 6.185 1.00 0.00 C ATOM 0 HA PRO A 66 -19.502 7.932 5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.042 7.249 8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.950 8.480 7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.758 5.567 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.746 7.007 8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.846 5.592 5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.861 7.343 5.877 1.00 0.00 H new ATOM 973 N GLU A 67 -19.066 4.801 6.322 1.00 0.00 N ATOM 974 CA GLU A 67 -18.122 3.732 6.437 1.00 0.00 C ATOM 975 C GLU A 67 -17.407 3.639 5.133 1.00 0.00 C ATOM 976 O GLU A 67 -16.177 3.638 5.128 1.00 0.00 O ATOM 977 CB GLU A 67 -18.957 2.475 6.732 1.00 0.00 C ATOM 978 CG GLU A 67 -18.507 1.466 7.791 1.00 0.00 C ATOM 979 CD GLU A 67 -19.601 0.429 8.001 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.016 -0.466 7.218 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.207 0.543 9.100 1.00 0.00 O ATOM 0 H GLU A 67 -19.993 4.463 6.064 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.379 3.869 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.954 2.812 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.058 1.930 5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.585 0.978 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.292 1.978 8.729 1.00 0.00 H new ATOM 988 N PHE A 68 -18.076 3.560 3.969 1.00 0.00 N ATOM 989 CA PHE A 68 -17.481 3.661 2.673 1.00 0.00 C ATOM 990 C PHE A 68 -16.518 4.773 2.433 1.00 0.00 C ATOM 991 O PHE A 68 -15.427 4.561 1.907 1.00 0.00 O ATOM 992 CB PHE A 68 -18.620 3.663 1.639 1.00 0.00 C ATOM 993 CG PHE A 68 -18.049 3.470 0.277 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.731 2.204 -0.155 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.766 4.555 -0.519 1.00 0.00 C ATOM 996 CE1 PHE A 68 -17.217 2.040 -1.420 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.271 4.394 -1.792 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.923 3.129 -2.206 1.00 0.00 C ATOM 0 H PHE A 68 -19.085 3.418 3.931 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.827 2.794 2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.332 2.868 1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -19.168 4.604 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.883 1.351 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.935 5.551 -0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -17.042 1.044 -1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.158 5.242 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.418 2.991 -3.151 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.949 5.995 2.793 1.00 0.00 N ATOM 1009 CA LEU A 69 -16.266 7.247 2.897 1.00 0.00 C ATOM 1010 C LEU A 69 -14.970 7.130 3.624 1.00 0.00 C ATOM 1011 O LEU A 69 -13.916 7.493 3.103 1.00 0.00 O ATOM 1012 CB LEU A 69 -17.348 8.184 3.460 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.048 9.657 3.785 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.344 10.365 4.213 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.036 9.899 4.918 1.00 0.00 C ATOM 0 H LEU A 69 -17.929 6.116 3.049 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.892 7.661 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.173 8.179 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.717 7.726 4.378 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.613 10.046 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.130 11.409 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -19.071 10.314 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.751 9.875 5.097 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.900 10.971 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.409 9.453 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.081 9.444 4.656 1.00 0.00 H new ATOM 1027 N THR A 70 -14.924 6.578 4.849 1.00 0.00 N ATOM 1028 CA THR A 70 -13.762 6.431 5.670 1.00 0.00 C ATOM 1029 C THR A 70 -12.772 5.485 5.083 1.00 0.00 C ATOM 1030 O THR A 70 -11.568 5.737 5.091 1.00 0.00 O ATOM 1031 CB THR A 70 -14.031 6.073 7.102 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.874 7.036 7.717 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.826 6.046 8.056 1.00 0.00 C ATOM 0 H THR A 70 -15.761 6.207 5.298 1.00 0.00 H new ATOM 0 HA THR A 70 -13.336 7.434 5.688 1.00 0.00 H new ATOM 0 HB THR A 70 -14.443 5.070 6.991 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.796 6.906 7.412 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.160 5.773 9.057 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.100 5.313 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.362 7.032 8.084 1.00 0.00 H new ATOM 1041 N MET A 71 -13.174 4.300 4.590 1.00 0.00 N ATOM 1042 CA MET A 71 -12.335 3.214 4.189 1.00 0.00 C ATOM 1043 C MET A 71 -11.750 3.519 2.853 1.00 0.00 C ATOM 1044 O MET A 71 -10.588 3.167 2.659 1.00 0.00 O ATOM 1045 CB MET A 71 -12.997 1.827 4.132 1.00 0.00 C ATOM 1046 CG MET A 71 -14.168 1.671 3.161 1.00 0.00 C ATOM 1047 SD MET A 71 -15.235 0.205 3.298 1.00 0.00 S ATOM 1048 CE MET A 71 -14.021 -0.981 2.652 1.00 0.00 C ATOM 0 H MET A 71 -14.163 4.086 4.462 1.00 0.00 H new ATOM 0 HA MET A 71 -11.583 3.139 4.975 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.234 1.095 3.867 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.347 1.574 5.133 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.802 2.551 3.266 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.762 1.690 2.150 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.464 -1.976 2.623 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.725 -0.686 1.645 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.144 -0.993 3.299 1.00 0.00 H new ATOM 1058 N MET A 72 -12.400 4.344 2.013 1.00 0.00 N ATOM 1059 CA MET A 72 -11.812 4.752 0.775 1.00 0.00 C ATOM 1060 C MET A 72 -10.772 5.809 0.930 1.00 0.00 C ATOM 1061 O MET A 72 -9.759 6.001 0.259 1.00 0.00 O ATOM 1062 CB MET A 72 -12.856 5.130 -0.289 1.00 0.00 C ATOM 1063 CG MET A 72 -12.341 4.856 -1.703 1.00 0.00 C ATOM 1064 SD MET A 72 -13.658 4.572 -2.924 1.00 0.00 S ATOM 1065 CE MET A 72 -12.621 4.656 -4.412 1.00 0.00 C ATOM 0 H MET A 72 -13.329 4.727 2.190 1.00 0.00 H new ATOM 0 HA MET A 72 -11.293 3.867 0.408 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.772 4.564 -0.118 1.00 0.00 H new ATOM 0 HB3 MET A 72 -13.110 6.185 -0.192 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.734 5.701 -2.028 1.00 0.00 H new ATOM 0 HG3 MET A 72 -11.687 3.984 -1.679 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.240 4.505 -5.296 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.142 5.634 -4.467 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.857 3.880 -4.367 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.934 6.728 1.898 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.936 7.648 2.347 1.00 0.00 C ATOM 1077 C ALA A 73 -8.708 7.032 2.925 1.00 0.00 C ATOM 1078 O ALA A 73 -7.560 7.440 2.759 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.620 8.585 3.356 1.00 0.00 C ATOM 0 H ALA A 73 -11.817 6.835 2.398 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.555 8.182 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.896 9.309 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.440 9.111 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.010 8.000 4.189 1.00 0.00 H new ATOM 1234 N GLU A 83 4.097 6.786 4.063 1.00 0.00 N ATOM 1235 CA GLU A 83 3.679 7.543 5.202 1.00 0.00 C ATOM 1236 C GLU A 83 2.777 6.891 6.192 1.00 0.00 C ATOM 1237 O GLU A 83 3.090 6.934 7.381 1.00 0.00 O ATOM 1238 CB GLU A 83 3.070 8.912 4.854 1.00 0.00 C ATOM 1239 CG GLU A 83 3.959 9.927 4.132 1.00 0.00 C ATOM 1240 CD GLU A 83 5.181 10.299 4.959 1.00 0.00 C ATOM 1241 OE1 GLU A 83 5.040 11.076 5.941 1.00 0.00 O ATOM 1242 OE2 GLU A 83 6.310 9.933 4.536 1.00 0.00 O ATOM 0 HA GLU A 83 4.647 7.648 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.189 8.739 4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.724 9.370 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.280 9.514 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.381 10.825 3.913 1.00 0.00 H new ATOM 1249 N GLU A 84 1.660 6.233 5.836 1.00 0.00 N ATOM 1250 CA GLU A 84 0.804 5.414 6.637 1.00 0.00 C ATOM 1251 C GLU A 84 1.511 4.189 7.103 1.00 0.00 C ATOM 1252 O GLU A 84 1.324 3.835 8.266 1.00 0.00 O ATOM 1253 CB GLU A 84 -0.547 5.175 5.941 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.429 6.424 5.897 1.00 0.00 C ATOM 1255 CD GLU A 84 -1.846 6.961 7.259 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -2.386 6.154 8.062 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -1.690 8.169 7.580 1.00 0.00 O ATOM 0 H GLU A 84 1.321 6.283 4.875 1.00 0.00 H new ATOM 0 HA GLU A 84 0.548 5.945 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.368 4.828 4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.081 4.379 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.896 7.209 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.326 6.197 5.321 1.00 0.00 H new ATOM 1264 N ILE A 85 2.369 3.536 6.299 1.00 0.00 N ATOM 1265 CA ILE A 85 3.194 2.492 6.825 1.00 0.00 C ATOM 1266 C ILE A 85 4.076 2.802 7.985 1.00 0.00 C ATOM 1267 O ILE A 85 4.177 2.027 8.935 1.00 0.00 O ATOM 1268 CB ILE A 85 4.002 1.803 5.765 1.00 0.00 C ATOM 1269 CG1 ILE A 85 5.195 2.561 5.158 1.00 0.00 C ATOM 1270 CG2 ILE A 85 3.200 1.250 4.575 1.00 0.00 C ATOM 1271 CD1 ILE A 85 5.957 1.639 4.207 1.00 0.00 C ATOM 0 H ILE A 85 2.491 3.725 5.304 1.00 0.00 H new ATOM 0 HA ILE A 85 2.429 1.831 7.233 1.00 0.00 H new ATOM 0 HB ILE A 85 4.388 0.999 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.844 3.443 4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.857 2.911 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.879 0.773 3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.476 0.518 4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.676 2.067 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.802 2.177 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.321 0.771 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.292 1.311 3.408 1.00 0.00 H new ATOM 1283 N ARG A 86 4.622 4.032 7.987 1.00 0.00 N ATOM 1284 CA ARG A 86 5.497 4.534 9.000 1.00 0.00 C ATOM 1285 C ARG A 86 4.801 4.762 10.297 1.00 0.00 C ATOM 1286 O ARG A 86 5.314 4.430 11.364 1.00 0.00 O ATOM 1287 CB ARG A 86 6.352 5.691 8.456 1.00 0.00 C ATOM 1288 CG ARG A 86 7.655 5.814 9.249 1.00 0.00 C ATOM 1289 CD ARG A 86 8.585 6.969 8.872 1.00 0.00 C ATOM 1290 NE ARG A 86 7.782 8.223 8.893 1.00 0.00 N ATOM 1291 CZ ARG A 86 7.214 8.814 7.801 1.00 0.00 C ATOM 1292 NH1 ARG A 86 7.394 8.314 6.544 1.00 0.00 N ATOM 1293 NH2 ARG A 86 6.553 9.992 7.996 1.00 0.00 N ATOM 0 H ARG A 86 4.444 4.709 7.245 1.00 0.00 H new ATOM 0 HA ARG A 86 6.223 3.765 9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.575 5.522 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.793 6.624 8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.402 5.912 10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.209 4.882 9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.416 7.035 9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.015 6.807 7.884 1.00 0.00 H new ATOM 0 HE ARG A 86 7.645 8.677 9.796 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.964 7.480 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.959 8.774 5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.498 10.397 8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.114 10.467 7.207 1.00 0.00 H new ATOM 1307 N GLU A 87 3.567 5.299 10.304 1.00 0.00 N ATOM 1308 CA GLU A 87 2.773 5.541 11.468 1.00 0.00 C ATOM 1309 C GLU A 87 2.143 4.267 11.919 1.00 0.00 C ATOM 1310 O GLU A 87 2.010 4.026 13.117 1.00 0.00 O ATOM 1311 CB GLU A 87 1.809 6.695 11.145 1.00 0.00 C ATOM 1312 CG GLU A 87 0.808 7.138 12.213 1.00 0.00 C ATOM 1313 CD GLU A 87 1.523 7.646 13.457 1.00 0.00 C ATOM 1314 OE1 GLU A 87 2.708 8.062 13.351 1.00 0.00 O ATOM 1315 OE2 GLU A 87 0.876 7.505 14.529 1.00 0.00 O ATOM 0 H GLU A 87 3.096 5.581 9.444 1.00 0.00 H new ATOM 0 HA GLU A 87 3.361 5.866 12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.411 7.563 10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.242 6.413 10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.167 7.923 11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.160 6.302 12.478 1.00 0.00 H new ATOM 1322 N ALA A 88 1.690 3.384 11.011 1.00 0.00 N ATOM 1323 CA ALA A 88 1.216 2.093 11.401 1.00 0.00 C ATOM 1324 C ALA A 88 2.217 1.245 12.108 1.00 0.00 C ATOM 1325 O ALA A 88 1.919 0.632 13.132 1.00 0.00 O ATOM 1326 CB ALA A 88 0.625 1.362 10.184 1.00 0.00 C ATOM 0 H ALA A 88 1.652 3.564 10.008 1.00 0.00 H new ATOM 0 HA ALA A 88 0.437 2.271 12.143 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.266 0.379 10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.204 1.942 9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.394 1.246 9.420 1.00 0.00 H new ATOM 1332 N PHE A 89 3.502 1.297 11.714 1.00 0.00 N ATOM 1333 CA PHE A 89 4.510 0.665 12.508 1.00 0.00 C ATOM 1334 C PHE A 89 4.730 1.329 13.823 1.00 0.00 C ATOM 1335 O PHE A 89 4.835 0.734 14.895 1.00 0.00 O ATOM 1336 CB PHE A 89 5.776 0.608 11.637 1.00 0.00 C ATOM 1337 CG PHE A 89 6.731 -0.304 12.326 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.707 0.051 13.228 1.00 0.00 C ATOM 1339 CD2 PHE A 89 6.651 -1.612 11.911 1.00 0.00 C ATOM 1340 CE1 PHE A 89 8.415 -0.933 13.878 1.00 0.00 C ATOM 1341 CE2 PHE A 89 7.470 -2.590 12.426 1.00 0.00 C ATOM 1342 CZ PHE A 89 8.329 -2.233 13.439 1.00 0.00 C ATOM 0 H PHE A 89 3.837 1.762 10.871 1.00 0.00 H new ATOM 0 HA PHE A 89 4.195 -0.340 12.790 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.542 0.240 10.638 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.208 1.602 11.517 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.915 1.092 13.424 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.924 -1.880 11.159 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.034 -0.686 14.728 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.440 -3.601 12.049 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.948 -2.989 13.899 1.00 0.00 H new ATOM 1352 N ARG A 90 4.783 2.673 13.821 1.00 0.00 N ATOM 1353 CA ARG A 90 5.048 3.463 14.983 1.00 0.00 C ATOM 1354 C ARG A 90 3.960 3.318 15.991 1.00 0.00 C ATOM 1355 O ARG A 90 4.071 3.401 17.213 1.00 0.00 O ATOM 1356 CB ARG A 90 5.275 4.918 14.537 1.00 0.00 C ATOM 1357 CG ARG A 90 5.878 5.914 15.529 1.00 0.00 C ATOM 1358 CD ARG A 90 5.742 7.402 15.198 1.00 0.00 C ATOM 1359 NE ARG A 90 4.323 7.810 15.394 1.00 0.00 N ATOM 1360 CZ ARG A 90 3.804 7.983 16.645 1.00 0.00 C ATOM 1361 NH1 ARG A 90 4.562 7.993 17.780 1.00 0.00 N ATOM 1362 NH2 ARG A 90 2.468 8.204 16.816 1.00 0.00 N ATOM 0 H ARG A 90 4.636 3.230 12.979 1.00 0.00 H new ATOM 0 HA ARG A 90 5.951 3.115 15.484 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.921 4.896 13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.313 5.317 14.214 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.418 5.741 16.502 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.939 5.687 15.633 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.396 7.993 15.839 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.050 7.589 14.169 1.00 0.00 H new ATOM 0 HE ARG A 90 3.729 7.963 14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.572 7.867 17.720 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.118 8.127 18.689 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.849 8.241 16.006 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.088 8.332 17.754 1.00 0.00 H new ATOM 1376 N VAL A 91 2.734 3.094 15.485 1.00 0.00 N ATOM 1377 CA VAL A 91 1.543 2.992 16.271 1.00 0.00 C ATOM 1378 C VAL A 91 1.570 1.681 16.977 1.00 0.00 C ATOM 1379 O VAL A 91 1.335 1.643 18.184 1.00 0.00 O ATOM 1380 CB VAL A 91 0.226 3.321 15.634 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -0.905 2.459 16.221 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -0.086 4.792 15.956 1.00 0.00 C ATOM 0 H VAL A 91 2.565 2.979 14.486 1.00 0.00 H new ATOM 0 HA VAL A 91 1.582 3.823 16.976 1.00 0.00 H new ATOM 0 HB VAL A 91 0.289 3.134 14.562 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.848 2.719 15.740 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.688 1.405 16.046 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.982 2.641 17.293 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.040 5.068 15.507 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.141 4.924 17.037 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.702 5.428 15.553 1.00 0.00 H new ATOM 1392 N PHE A 92 1.947 0.580 16.302 1.00 0.00 N ATOM 1393 CA PHE A 92 2.112 -0.656 17.000 1.00 0.00 C ATOM 1394 C PHE A 92 3.298 -0.691 17.901 1.00 0.00 C ATOM 1395 O PHE A 92 3.154 -1.241 18.992 1.00 0.00 O ATOM 1396 CB PHE A 92 2.306 -1.737 15.923 1.00 0.00 C ATOM 1397 CG PHE A 92 1.072 -2.165 15.207 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -0.050 -2.461 15.945 1.00 0.00 C ATOM 1399 CD2 PHE A 92 1.041 -2.230 13.834 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -1.203 -2.840 15.300 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -0.041 -2.786 13.193 1.00 0.00 C ATOM 1402 CZ PHE A 92 -1.166 -3.042 13.940 1.00 0.00 C ATOM 0 H PHE A 92 2.133 0.544 15.300 1.00 0.00 H new ATOM 0 HA PHE A 92 1.237 -0.806 17.633 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.021 -1.367 15.188 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.755 -2.613 16.391 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.025 -2.396 17.023 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.868 -1.843 13.258 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.122 -2.977 15.851 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.008 -3.014 12.138 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.050 -3.414 13.443 1.00 0.00 H new ATOM 1412 N ASP A 93 4.484 -0.216 17.478 1.00 0.00 N ATOM 1413 CA ASP A 93 5.614 -0.384 18.338 1.00 0.00 C ATOM 1414 C ASP A 93 5.512 0.593 19.459 1.00 0.00 C ATOM 1415 O ASP A 93 5.612 1.815 19.362 1.00 0.00 O ATOM 1416 CB ASP A 93 6.918 -0.219 17.541 1.00 0.00 C ATOM 1417 CG ASP A 93 8.102 -0.689 18.373 1.00 0.00 C ATOM 1418 OD1 ASP A 93 7.896 -1.409 19.386 1.00 0.00 O ATOM 1419 OD2 ASP A 93 9.227 -0.284 17.976 1.00 0.00 O ATOM 0 H ASP A 93 4.658 0.258 16.592 1.00 0.00 H new ATOM 0 HA ASP A 93 5.626 -1.390 18.758 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.863 -0.793 16.616 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.052 0.826 17.261 1.00 0.00 H new ATOM 1424 N LYS A 94 5.412 0.084 20.700 1.00 0.00 N ATOM 1425 CA LYS A 94 5.078 0.890 21.833 1.00 0.00 C ATOM 1426 C LYS A 94 6.245 1.558 22.476 1.00 0.00 C ATOM 1427 O LYS A 94 6.213 2.764 22.716 1.00 0.00 O ATOM 1428 CB LYS A 94 4.352 0.090 22.927 1.00 0.00 C ATOM 1429 CG LYS A 94 3.820 0.891 24.117 1.00 0.00 C ATOM 1430 CD LYS A 94 2.926 0.055 25.035 1.00 0.00 C ATOM 1431 CE LYS A 94 2.433 0.849 26.247 1.00 0.00 C ATOM 1432 NZ LYS A 94 1.539 1.980 25.910 1.00 0.00 N ATOM 0 H LYS A 94 5.565 -0.900 20.920 1.00 0.00 H new ATOM 0 HA LYS A 94 4.424 1.654 21.412 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.515 -0.435 22.467 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.036 -0.670 23.305 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.660 1.283 24.691 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.257 1.749 23.750 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.069 -0.310 24.469 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.478 -0.820 25.377 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.906 0.173 26.920 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.296 1.233 26.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.090 2.338 26.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.093 2.741 25.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.805 1.657 25.248 1.00 0.00 H new ATOM 1446 N ASP A 95 7.327 0.788 22.687 1.00 0.00 N ATOM 1447 CA ASP A 95 8.586 1.218 23.212 1.00 0.00 C ATOM 1448 C ASP A 95 9.473 2.028 22.330 1.00 0.00 C ATOM 1449 O ASP A 95 10.174 2.955 22.732 1.00 0.00 O ATOM 1450 CB ASP A 95 9.301 0.044 23.902 1.00 0.00 C ATOM 1451 CG ASP A 95 9.850 -1.092 23.051 1.00 0.00 C ATOM 1452 OD1 ASP A 95 9.312 -1.334 21.938 1.00 0.00 O ATOM 1453 OD2 ASP A 95 10.654 -1.907 23.577 1.00 0.00 O ATOM 0 H ASP A 95 7.320 -0.210 22.474 1.00 0.00 H new ATOM 0 HA ASP A 95 8.325 1.974 23.953 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.132 0.456 24.475 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.604 -0.390 24.619 1.00 0.00 H new ATOM 1458 N GLY A 96 9.426 1.592 21.058 1.00 0.00 N ATOM 1459 CA GLY A 96 10.235 2.161 20.025 1.00 0.00 C ATOM 1460 C GLY A 96 11.564 1.532 19.787 1.00 0.00 C ATOM 1461 O GLY A 96 12.451 2.319 19.460 1.00 0.00 O ATOM 0 H GLY A 96 8.819 0.835 20.743 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.671 2.125 19.093 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.395 3.213 20.260 1.00 0.00 H new ATOM 1465 N ASN A 97 11.668 0.202 19.956 1.00 0.00 N ATOM 1466 CA ASN A 97 12.846 -0.559 19.679 1.00 0.00 C ATOM 1467 C ASN A 97 13.016 -0.864 18.230 1.00 0.00 C ATOM 1468 O ASN A 97 14.118 -1.153 17.766 1.00 0.00 O ATOM 1469 CB ASN A 97 13.139 -1.754 20.601 1.00 0.00 C ATOM 1470 CG ASN A 97 12.081 -2.848 20.650 1.00 0.00 C ATOM 1471 OD1 ASN A 97 10.944 -2.750 20.192 1.00 0.00 O ATOM 1472 ND2 ASN A 97 12.426 -4.054 21.175 1.00 0.00 N ATOM 0 H ASN A 97 10.896 -0.368 20.301 1.00 0.00 H new ATOM 0 HA ASN A 97 13.644 0.131 19.953 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.081 -2.204 20.288 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.287 -1.376 21.613 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.754 -4.821 21.175 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.357 -4.191 21.569 1.00 0.00 H new ATOM 1479 N GLY A 98 11.890 -0.756 17.502 1.00 0.00 N ATOM 1480 CA GLY A 98 11.929 -1.043 16.102 1.00 0.00 C ATOM 1481 C GLY A 98 11.511 -2.437 15.781 1.00 0.00 C ATOM 1482 O GLY A 98 11.621 -3.022 14.704 1.00 0.00 O ATOM 0 H GLY A 98 10.979 -0.479 17.868 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.279 -0.344 15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.941 -0.878 15.731 1.00 0.00 H new ATOM 1486 N TYR A 99 10.856 -3.033 16.793 1.00 0.00 N ATOM 1487 CA TYR A 99 10.402 -4.389 16.805 1.00 0.00 C ATOM 1488 C TYR A 99 9.002 -4.406 17.315 1.00 0.00 C ATOM 1489 O TYR A 99 8.728 -4.017 18.449 1.00 0.00 O ATOM 1490 CB TYR A 99 11.283 -5.381 17.584 1.00 0.00 C ATOM 1491 CG TYR A 99 12.636 -5.580 16.994 1.00 0.00 C ATOM 1492 CD1 TYR A 99 12.901 -6.091 15.745 1.00 0.00 C ATOM 1493 CD2 TYR A 99 13.635 -4.915 17.666 1.00 0.00 C ATOM 1494 CE1 TYR A 99 14.175 -6.075 15.228 1.00 0.00 C ATOM 1495 CE2 TYR A 99 14.928 -4.986 17.204 1.00 0.00 C ATOM 1496 CZ TYR A 99 15.203 -5.580 15.995 1.00 0.00 C ATOM 1497 OH TYR A 99 16.430 -5.334 15.343 1.00 0.00 O ATOM 0 H TYR A 99 10.630 -2.537 17.655 1.00 0.00 H new ATOM 0 HA TYR A 99 10.462 -4.746 15.777 1.00 0.00 H new ATOM 0 HB2 TYR A 99 11.393 -5.027 18.609 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.774 -6.343 17.633 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.096 -6.512 15.161 1.00 0.00 H new ATOM 0 HD2 TYR A 99 13.405 -4.341 18.551 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.366 -6.447 14.232 1.00 0.00 H new ATOM 0 HE2 TYR A 99 15.732 -4.573 17.794 1.00 0.00 H new ATOM 0 HH TYR A 99 17.079 -4.985 15.989 1.00 0.00 H new ATOM 1507 N ILE A 100 8.054 -5.051 16.612 1.00 0.00 N ATOM 1508 CA ILE A 100 6.763 -5.286 17.180 1.00 0.00 C ATOM 1509 C ILE A 100 6.754 -6.650 17.779 1.00 0.00 C ATOM 1510 O ILE A 100 7.088 -7.613 17.089 1.00 0.00 O ATOM 1511 CB ILE A 100 5.656 -5.279 16.168 1.00 0.00 C ATOM 1512 CG1 ILE A 100 5.392 -3.862 15.631 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.313 -5.825 16.681 1.00 0.00 C ATOM 1514 CD1 ILE A 100 4.696 -3.869 14.271 1.00 0.00 C ATOM 0 H ILE A 100 8.178 -5.405 15.664 1.00 0.00 H new ATOM 0 HA ILE A 100 6.593 -4.485 17.899 1.00 0.00 H new ATOM 0 HB ILE A 100 6.020 -5.945 15.386 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.778 -3.315 16.346 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.338 -3.327 15.548 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.573 -5.781 15.882 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.439 -6.859 17.002 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.973 -5.222 17.523 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.534 -2.843 13.940 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.320 -4.390 13.545 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.736 -4.378 14.356 1.00 0.00 H new ATOM 1526 N SER A 101 6.268 -6.836 19.019 1.00 0.00 N ATOM 1527 CA SER A 101 5.797 -8.082 19.539 1.00 0.00 C ATOM 1528 C SER A 101 4.318 -8.246 19.612 1.00 0.00 C ATOM 1529 O SER A 101 3.617 -7.245 19.476 1.00 0.00 O ATOM 1530 CB SER A 101 6.498 -8.147 20.907 1.00 0.00 C ATOM 1531 OG SER A 101 6.123 -7.139 21.835 1.00 0.00 O ATOM 0 H SER A 101 6.200 -6.075 19.695 1.00 0.00 H new ATOM 0 HA SER A 101 6.037 -8.913 18.875 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.296 -9.121 21.353 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.575 -8.087 20.747 1.00 0.00 H new ATOM 0 HG SER A 101 6.449 -6.269 21.523 1.00 0.00 H new ATOM 1537 N ALA A 102 3.858 -9.475 19.906 1.00 0.00 N ATOM 1538 CA ALA A 102 2.478 -9.828 20.033 1.00 0.00 C ATOM 1539 C ALA A 102 1.693 -8.915 20.911 1.00 0.00 C ATOM 1540 O ALA A 102 0.541 -8.593 20.626 1.00 0.00 O ATOM 1541 CB ALA A 102 2.394 -11.233 20.652 1.00 0.00 C ATOM 0 H ALA A 102 4.483 -10.265 20.064 1.00 0.00 H new ATOM 0 HA ALA A 102 2.052 -9.768 19.031 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.348 -11.522 20.758 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.904 -11.947 20.005 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.870 -11.228 21.633 1.00 0.00 H new ATOM 1547 N ALA A 103 2.200 -8.460 22.071 1.00 0.00 N ATOM 1548 CA ALA A 103 1.456 -7.654 22.988 1.00 0.00 C ATOM 1549 C ALA A 103 1.352 -6.225 22.579 1.00 0.00 C ATOM 1550 O ALA A 103 0.406 -5.536 22.959 1.00 0.00 O ATOM 1551 CB ALA A 103 2.061 -7.628 24.402 1.00 0.00 C ATOM 0 H ALA A 103 3.152 -8.658 22.379 1.00 0.00 H new ATOM 0 HA ALA A 103 0.477 -8.132 22.984 1.00 0.00 H new ATOM 0 HB1 ALA A 103 1.449 -6.999 25.048 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.090 -8.641 24.804 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.073 -7.226 24.357 1.00 0.00 H new ATOM 1557 N GLU A 104 2.277 -5.737 21.733 1.00 0.00 N ATOM 1558 CA GLU A 104 2.181 -4.443 21.133 1.00 0.00 C ATOM 1559 C GLU A 104 1.190 -4.371 20.022 1.00 0.00 C ATOM 1560 O GLU A 104 0.311 -3.518 19.910 1.00 0.00 O ATOM 1561 CB GLU A 104 3.594 -3.983 20.737 1.00 0.00 C ATOM 1562 CG GLU A 104 4.495 -3.973 21.974 1.00 0.00 C ATOM 1563 CD GLU A 104 5.923 -3.721 21.511 1.00 0.00 C ATOM 1564 OE1 GLU A 104 6.599 -4.620 20.942 1.00 0.00 O ATOM 1565 OE2 GLU A 104 6.436 -2.601 21.777 1.00 0.00 O ATOM 0 H GLU A 104 3.112 -6.255 21.460 1.00 0.00 H new ATOM 0 HA GLU A 104 1.778 -3.743 21.865 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.006 -4.650 19.980 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.553 -2.987 20.296 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.177 -3.197 22.671 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.428 -4.924 22.503 1.00 0.00 H new ATOM 1572 N LEU A 105 1.215 -5.414 19.173 1.00 0.00 N ATOM 1573 CA LEU A 105 0.113 -5.664 18.297 1.00 0.00 C ATOM 1574 C LEU A 105 -1.206 -5.811 18.974 1.00 0.00 C ATOM 1575 O LEU A 105 -2.184 -5.203 18.540 1.00 0.00 O ATOM 1576 CB LEU A 105 0.421 -6.732 17.234 1.00 0.00 C ATOM 1577 CG LEU A 105 -0.626 -6.713 16.108 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -0.115 -6.817 14.661 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -1.570 -7.915 16.273 1.00 0.00 C ATOM 0 H LEU A 105 1.987 -6.076 19.093 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.015 -4.739 17.735 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.412 -6.557 16.816 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.441 -7.717 17.700 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.081 -5.729 16.223 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.961 -6.791 13.974 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.551 -5.980 14.449 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.428 -7.754 14.533 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.314 -7.905 15.477 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.995 -8.839 16.221 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.072 -7.854 17.239 1.00 0.00 H new ATOM 1591 N ARG A 106 -1.297 -6.470 20.143 1.00 0.00 N ATOM 1592 CA ARG A 106 -2.519 -6.610 20.871 1.00 0.00 C ATOM 1593 C ARG A 106 -3.062 -5.320 21.384 1.00 0.00 C ATOM 1594 O ARG A 106 -4.216 -4.981 21.128 1.00 0.00 O ATOM 1595 CB ARG A 106 -2.270 -7.524 22.083 1.00 0.00 C ATOM 1596 CG ARG A 106 -3.521 -8.171 22.680 1.00 0.00 C ATOM 1597 CD ARG A 106 -3.097 -9.060 23.851 1.00 0.00 C ATOM 1598 NE ARG A 106 -4.147 -10.029 24.272 1.00 0.00 N ATOM 1599 CZ ARG A 106 -5.407 -9.766 24.727 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -5.973 -8.531 24.859 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -6.124 -10.841 25.165 1.00 0.00 N ATOM 0 H ARG A 106 -0.499 -6.917 20.594 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.249 -7.023 20.175 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.579 -8.313 21.787 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.775 -6.942 22.861 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.218 -7.405 23.019 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.039 -8.762 21.924 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.198 -9.609 23.573 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.835 -8.429 24.700 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.892 -11.015 24.213 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.443 -7.697 24.606 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.926 -8.442 25.210 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.712 -11.774 25.140 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.072 -10.712 25.518 1.00 0.00 H new ATOM 1615 N HIS A 107 -2.236 -4.531 22.094 1.00 0.00 N ATOM 1616 CA HIS A 107 -2.495 -3.265 22.706 1.00 0.00 C ATOM 1617 C HIS A 107 -3.101 -2.216 21.838 1.00 0.00 C ATOM 1618 O HIS A 107 -3.813 -1.330 22.309 1.00 0.00 O ATOM 1619 CB HIS A 107 -1.154 -2.677 23.178 1.00 0.00 C ATOM 1620 CG HIS A 107 -1.259 -1.386 23.934 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -1.995 -1.067 25.058 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -0.441 -0.322 23.712 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -1.664 0.208 25.396 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -0.717 0.688 24.611 1.00 0.00 N ATOM 0 H HIS A 107 -1.271 -4.819 22.256 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.217 -3.489 23.492 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.655 -3.411 23.810 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.517 -2.520 22.308 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -2.659 -1.671 25.542 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.316 -0.275 22.943 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -2.119 0.759 26.206 1.00 0.00 H new ATOM 1632 N VAL A 108 -2.744 -2.218 20.541 1.00 0.00 N ATOM 1633 CA VAL A 108 -3.342 -1.303 19.620 1.00 0.00 C ATOM 1634 C VAL A 108 -4.697 -1.702 19.145 1.00 0.00 C ATOM 1635 O VAL A 108 -5.505 -0.820 18.859 1.00 0.00 O ATOM 1636 CB VAL A 108 -2.488 -1.149 18.396 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -3.100 -0.440 17.176 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -1.277 -0.322 18.861 1.00 0.00 C ATOM 0 H VAL A 108 -2.050 -2.845 20.134 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.432 -0.375 20.185 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.286 -2.156 18.031 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.367 -0.404 16.370 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.981 -0.988 16.841 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.387 0.575 17.451 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.600 -0.164 18.021 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.618 0.642 19.239 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.753 -0.857 19.653 1.00 0.00 H new ATOM 1648 N MET A 109 -4.972 -3.016 19.059 1.00 0.00 N ATOM 1649 CA MET A 109 -6.279 -3.492 18.727 1.00 0.00 C ATOM 1650 C MET A 109 -7.248 -3.207 19.823 1.00 0.00 C ATOM 1651 O MET A 109 -8.435 -2.927 19.665 1.00 0.00 O ATOM 1652 CB MET A 109 -6.330 -4.975 18.321 1.00 0.00 C ATOM 1653 CG MET A 109 -5.452 -5.258 17.100 1.00 0.00 C ATOM 1654 SD MET A 109 -5.974 -4.265 15.669 1.00 0.00 S ATOM 1655 CE MET A 109 -6.909 -5.515 14.740 1.00 0.00 C ATOM 0 H MET A 109 -4.285 -3.752 19.220 1.00 0.00 H new ATOM 0 HA MET A 109 -6.571 -2.935 17.837 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.001 -5.593 19.157 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.360 -5.257 18.102 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.411 -5.038 17.338 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.504 -6.317 16.849 1.00 0.00 H new ATOM 0 HE1 MET A 109 -7.166 -5.121 13.757 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.301 -6.412 14.624 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.822 -5.763 15.281 1.00 0.00 H new ATOM 1665 N THR A 110 -6.787 -3.253 21.085 1.00 0.00 N ATOM 1666 CA THR A 110 -7.632 -2.822 22.155 1.00 0.00 C ATOM 1667 C THR A 110 -7.939 -1.370 22.288 1.00 0.00 C ATOM 1668 O THR A 110 -9.054 -0.996 22.649 1.00 0.00 O ATOM 1669 CB THR A 110 -7.158 -3.222 23.521 1.00 0.00 C ATOM 1670 OG1 THR A 110 -5.797 -2.928 23.797 1.00 0.00 O ATOM 1671 CG2 THR A 110 -7.271 -4.745 23.703 1.00 0.00 C ATOM 0 H THR A 110 -5.860 -3.577 21.360 1.00 0.00 H new ATOM 0 HA THR A 110 -8.533 -3.344 21.832 1.00 0.00 H new ATOM 0 HB THR A 110 -7.795 -2.644 24.190 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.433 -2.364 23.083 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.923 -5.019 24.699 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.311 -5.049 23.585 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.659 -5.247 22.954 1.00 0.00 H new ATOM 1679 N ASN A 111 -7.026 -0.492 21.836 1.00 0.00 N ATOM 1680 CA ASN A 111 -7.138 0.932 21.886 1.00 0.00 C ATOM 1681 C ASN A 111 -8.278 1.452 21.080 1.00 0.00 C ATOM 1682 O ASN A 111 -9.057 2.323 21.464 1.00 0.00 O ATOM 1683 CB ASN A 111 -5.798 1.585 21.506 1.00 0.00 C ATOM 1684 CG ASN A 111 -5.702 3.078 21.785 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -5.728 3.502 22.940 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -5.562 3.941 20.743 1.00 0.00 N ATOM 0 H ASN A 111 -6.152 -0.798 21.408 1.00 0.00 H new ATOM 0 HA ASN A 111 -7.368 1.210 22.914 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.999 1.078 22.047 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.619 1.418 20.444 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.478 4.942 20.918 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.541 3.587 19.787 1.00 0.00 H new ATOM 1693 N LEU A 112 -8.549 0.722 19.983 1.00 0.00 N ATOM 1694 CA LEU A 112 -9.612 1.041 19.082 1.00 0.00 C ATOM 1695 C LEU A 112 -10.898 0.449 19.548 1.00 0.00 C ATOM 1696 O LEU A 112 -11.991 0.827 19.129 1.00 0.00 O ATOM 1697 CB LEU A 112 -9.322 0.294 17.770 1.00 0.00 C ATOM 1698 CG LEU A 112 -8.057 0.704 16.996 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -7.786 -0.323 15.884 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -8.096 2.110 16.375 1.00 0.00 C ATOM 0 H LEU A 112 -8.018 -0.107 19.717 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.680 2.125 18.994 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.251 -0.770 17.995 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.180 0.424 17.110 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.259 0.728 17.738 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.890 -0.035 15.334 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.639 -1.308 16.327 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.636 -0.354 15.203 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.159 2.303 15.852 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.925 2.173 15.670 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.232 2.852 17.162 1.00 0.00 H new ATOM 1712 N GLY A 113 -10.879 -0.552 20.446 1.00 0.00 N ATOM 1713 CA GLY A 113 -12.059 -1.220 20.899 1.00 0.00 C ATOM 1714 C GLY A 113 -12.482 -2.339 20.011 1.00 0.00 C ATOM 1715 O GLY A 113 -13.642 -2.748 19.962 1.00 0.00 O ATOM 0 H GLY A 113 -10.021 -0.906 20.868 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -11.886 -1.608 21.903 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.871 -0.497 20.973 1.00 0.00 H new ATOM 1719 N GLU A 114 -11.471 -2.974 19.391 1.00 0.00 N ATOM 1720 CA GLU A 114 -11.617 -4.247 18.756 1.00 0.00 C ATOM 1721 C GLU A 114 -11.629 -5.412 19.686 1.00 0.00 C ATOM 1722 O GLU A 114 -11.009 -5.427 20.748 1.00 0.00 O ATOM 1723 CB GLU A 114 -10.526 -4.526 17.708 1.00 0.00 C ATOM 1724 CG GLU A 114 -10.996 -5.449 16.582 1.00 0.00 C ATOM 1725 CD GLU A 114 -11.817 -4.663 15.570 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -12.755 -3.895 15.914 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -11.403 -4.877 14.399 1.00 0.00 O ATOM 0 H GLU A 114 -10.527 -2.592 19.330 1.00 0.00 H new ATOM 0 HA GLU A 114 -12.596 -4.158 18.285 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.192 -3.581 17.279 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -9.663 -4.975 18.201 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.136 -5.903 16.090 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.594 -6.262 16.994 1.00 0.00 H new ATOM 1734 N LYS A 115 -12.590 -6.337 19.518 1.00 0.00 N ATOM 1735 CA LYS A 115 -12.645 -7.555 20.265 1.00 0.00 C ATOM 1736 C LYS A 115 -11.831 -8.566 19.532 1.00 0.00 C ATOM 1737 O LYS A 115 -12.284 -8.968 18.461 1.00 0.00 O ATOM 1738 CB LYS A 115 -14.090 -8.066 20.394 1.00 0.00 C ATOM 1739 CG LYS A 115 -15.145 -7.104 20.942 1.00 0.00 C ATOM 1740 CD LYS A 115 -16.481 -7.811 21.180 1.00 0.00 C ATOM 1741 CE LYS A 115 -17.613 -6.819 21.452 1.00 0.00 C ATOM 1742 NZ LYS A 115 -17.960 -6.159 20.173 1.00 0.00 N ATOM 0 H LYS A 115 -13.349 -6.236 18.845 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.261 -7.383 21.271 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -14.418 -8.394 19.408 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -14.077 -8.947 21.035 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -14.791 -6.669 21.877 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.288 -6.281 20.241 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.731 -8.417 20.309 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.385 -8.493 22.025 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.481 -7.335 21.863 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -17.303 -6.080 22.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -18.892 -5.706 20.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.244 -5.439 19.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.988 -6.868 19.413 1.00 0.00 H new ATOM 1756 N LEU A 116 -10.640 -8.911 20.052 1.00 0.00 N ATOM 1757 CA LEU A 116 -9.775 -9.813 19.356 1.00 0.00 C ATOM 1758 C LEU A 116 -9.013 -10.626 20.345 1.00 0.00 C ATOM 1759 O LEU A 116 -8.824 -10.181 21.476 1.00 0.00 O ATOM 1760 CB LEU A 116 -8.775 -8.934 18.587 1.00 0.00 C ATOM 1761 CG LEU A 116 -8.187 -9.515 17.290 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -9.098 -9.724 16.069 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -7.005 -8.669 16.785 1.00 0.00 C ATOM 0 H LEU A 116 -10.279 -8.571 20.943 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.338 -10.476 18.699 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.269 -7.993 18.343 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.949 -8.696 19.257 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.926 -10.513 17.642 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.515 -10.141 15.247 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.902 -10.412 16.329 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.523 -8.768 15.764 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.611 -9.105 15.867 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.344 -7.652 16.587 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.222 -8.649 17.543 1.00 0.00 H new ATOM 1775 N THR A 117 -8.552 -11.809 19.902 1.00 0.00 N ATOM 1776 CA THR A 117 -7.992 -12.727 20.845 1.00 0.00 C ATOM 1777 C THR A 117 -6.508 -12.757 20.709 1.00 0.00 C ATOM 1778 O THR A 117 -5.900 -12.441 19.688 1.00 0.00 O ATOM 1779 CB THR A 117 -8.489 -14.134 20.693 1.00 0.00 C ATOM 1780 OG1 THR A 117 -8.337 -14.714 19.406 1.00 0.00 O ATOM 1781 CG2 THR A 117 -9.980 -14.152 21.070 1.00 0.00 C ATOM 0 H THR A 117 -8.564 -12.122 18.931 1.00 0.00 H new ATOM 0 HA THR A 117 -8.305 -12.364 21.824 1.00 0.00 H new ATOM 0 HB THR A 117 -7.866 -14.741 21.350 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.043 -14.383 18.813 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.369 -15.165 20.968 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.099 -13.820 22.101 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.531 -13.484 20.408 1.00 0.00 H new ATOM 1789 N ASP A 118 -5.823 -13.348 21.705 1.00 0.00 N ATOM 1790 CA ASP A 118 -4.433 -13.661 21.585 1.00 0.00 C ATOM 1791 C ASP A 118 -4.024 -14.564 20.472 1.00 0.00 C ATOM 1792 O ASP A 118 -3.021 -14.371 19.788 1.00 0.00 O ATOM 1793 CB ASP A 118 -4.032 -14.409 22.868 1.00 0.00 C ATOM 1794 CG ASP A 118 -4.234 -13.415 24.004 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -3.344 -12.601 24.367 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -5.301 -13.434 24.673 1.00 0.00 O ATOM 0 H ASP A 118 -6.236 -13.611 22.600 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.952 -12.701 21.397 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.646 -15.298 23.011 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.995 -14.743 22.819 1.00 0.00 H new ATOM 1801 N GLU A 119 -4.900 -15.509 20.087 1.00 0.00 N ATOM 1802 CA GLU A 119 -4.720 -16.510 19.083 1.00 0.00 C ATOM 1803 C GLU A 119 -4.719 -15.903 17.722 1.00 0.00 C ATOM 1804 O GLU A 119 -3.945 -16.324 16.864 1.00 0.00 O ATOM 1805 CB GLU A 119 -5.807 -17.598 19.053 1.00 0.00 C ATOM 1806 CG GLU A 119 -5.285 -18.886 18.413 1.00 0.00 C ATOM 1807 CD GLU A 119 -6.344 -19.979 18.429 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -7.176 -20.049 17.485 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -6.378 -20.860 19.329 1.00 0.00 O ATOM 0 H GLU A 119 -5.820 -15.576 20.521 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.767 -16.969 19.347 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.146 -17.805 20.068 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.671 -17.237 18.496 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -4.980 -18.687 17.386 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -4.399 -19.227 18.948 1.00 0.00 H new ATOM 1816 N GLU A 120 -5.588 -14.901 17.501 1.00 0.00 N ATOM 1817 CA GLU A 120 -5.592 -14.056 16.347 1.00 0.00 C ATOM 1818 C GLU A 120 -4.322 -13.292 16.193 1.00 0.00 C ATOM 1819 O GLU A 120 -3.650 -13.369 15.166 1.00 0.00 O ATOM 1820 CB GLU A 120 -6.802 -13.114 16.472 1.00 0.00 C ATOM 1821 CG GLU A 120 -8.016 -14.017 16.244 1.00 0.00 C ATOM 1822 CD GLU A 120 -9.306 -13.284 16.582 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -9.688 -13.177 17.778 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -10.065 -12.931 15.640 1.00 0.00 O ATOM 0 H GLU A 120 -6.328 -14.668 18.163 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.671 -14.668 15.448 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.837 -12.642 17.454 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.759 -12.313 15.734 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.041 -14.345 15.205 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -7.929 -14.913 16.859 1.00 0.00 H new ATOM 1831 N VAL A 121 -4.015 -12.484 17.224 1.00 0.00 N ATOM 1832 CA VAL A 121 -2.803 -11.729 17.293 1.00 0.00 C ATOM 1833 C VAL A 121 -1.564 -12.514 17.035 1.00 0.00 C ATOM 1834 O VAL A 121 -0.630 -12.068 16.371 1.00 0.00 O ATOM 1835 CB VAL A 121 -2.739 -11.101 18.654 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -1.358 -10.497 18.958 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -3.843 -10.033 18.738 1.00 0.00 C ATOM 0 H VAL A 121 -4.626 -12.353 18.030 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.834 -10.988 16.495 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.898 -11.871 19.409 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.365 -10.056 19.955 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.601 -11.280 18.913 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.128 -9.727 18.222 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.818 -9.560 19.720 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.679 -9.279 17.968 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.815 -10.502 18.586 1.00 0.00 H new ATOM 1847 N ASP A 122 -1.510 -13.771 17.513 1.00 0.00 N ATOM 1848 CA ASP A 122 -0.600 -14.777 17.061 1.00 0.00 C ATOM 1849 C ASP A 122 -0.243 -14.891 15.619 1.00 0.00 C ATOM 1850 O ASP A 122 0.892 -14.924 15.148 1.00 0.00 O ATOM 1851 CB ASP A 122 -0.882 -16.173 17.641 1.00 0.00 C ATOM 1852 CG ASP A 122 0.288 -17.135 17.793 1.00 0.00 C ATOM 1853 OD1 ASP A 122 1.371 -16.658 18.226 1.00 0.00 O ATOM 1854 OD2 ASP A 122 0.221 -18.280 17.271 1.00 0.00 O ATOM 0 H ASP A 122 -2.132 -14.101 18.251 1.00 0.00 H new ATOM 0 HA ASP A 122 0.303 -14.340 17.488 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.335 -16.041 18.624 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.628 -16.653 17.008 1.00 0.00 H new ATOM 1859 N GLU A 123 -1.319 -15.035 14.826 1.00 0.00 N ATOM 1860 CA GLU A 123 -1.353 -15.199 13.405 1.00 0.00 C ATOM 1861 C GLU A 123 -0.871 -13.974 12.708 1.00 0.00 C ATOM 1862 O GLU A 123 -0.035 -14.037 11.808 1.00 0.00 O ATOM 1863 CB GLU A 123 -2.747 -15.506 12.832 1.00 0.00 C ATOM 1864 CG GLU A 123 -2.831 -15.693 11.316 1.00 0.00 C ATOM 1865 CD GLU A 123 -4.211 -16.091 10.813 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -4.980 -15.154 10.469 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -4.393 -17.328 10.654 1.00 0.00 O ATOM 0 H GLU A 123 -2.259 -15.036 15.222 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.703 -16.056 13.228 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.121 -16.412 13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.419 -14.696 13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -2.533 -14.764 10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.113 -16.455 11.015 1.00 0.00 H new ATOM 1874 N MET A 124 -1.221 -12.759 13.168 1.00 0.00 N ATOM 1875 CA MET A 124 -0.735 -11.520 12.644 1.00 0.00 C ATOM 1876 C MET A 124 0.741 -11.402 12.806 1.00 0.00 C ATOM 1877 O MET A 124 1.453 -10.867 11.959 1.00 0.00 O ATOM 1878 CB MET A 124 -1.458 -10.400 13.411 1.00 0.00 C ATOM 1879 CG MET A 124 -2.976 -10.586 13.369 1.00 0.00 C ATOM 1880 SD MET A 124 -3.984 -9.145 13.830 1.00 0.00 S ATOM 1881 CE MET A 124 -5.535 -9.904 13.265 1.00 0.00 C ATOM 0 H MET A 124 -1.874 -12.635 13.942 1.00 0.00 H new ATOM 0 HA MET A 124 -0.934 -11.455 11.574 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.120 -10.389 14.447 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.196 -9.434 12.980 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.255 -10.888 12.359 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.237 -11.411 14.032 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.361 -9.213 13.433 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.463 -10.131 12.201 1.00 0.00 H new ATOM 0 HE3 MET A 124 -5.713 -10.824 13.821 1.00 0.00 H new ATOM 1891 N ILE A 125 1.395 -11.923 13.860 1.00 0.00 N ATOM 1892 CA ILE A 125 2.797 -12.006 14.132 1.00 0.00 C ATOM 1893 C ILE A 125 3.459 -13.008 13.251 1.00 0.00 C ATOM 1894 O ILE A 125 4.453 -12.734 12.580 1.00 0.00 O ATOM 1895 CB ILE A 125 3.147 -12.409 15.534 1.00 0.00 C ATOM 1896 CG1 ILE A 125 2.643 -11.412 16.591 1.00 0.00 C ATOM 1897 CG2 ILE A 125 4.665 -12.583 15.711 1.00 0.00 C ATOM 1898 CD1 ILE A 125 3.304 -10.041 16.457 1.00 0.00 C ATOM 0 H ILE A 125 0.863 -12.342 14.623 1.00 0.00 H new ATOM 0 HA ILE A 125 3.145 -10.988 13.956 1.00 0.00 H new ATOM 0 HB ILE A 125 2.642 -13.362 15.691 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.563 -11.303 16.498 1.00 0.00 H new ATOM 0 HG13 ILE A 125 2.838 -11.811 17.586 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.880 -12.875 16.739 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.024 -13.356 15.031 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.168 -11.642 15.488 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.915 -9.373 17.225 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.382 -10.144 16.577 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.087 -9.627 15.472 1.00 0.00 H new ATOM 1910 N ARG A 126 2.923 -14.239 13.165 1.00 0.00 N ATOM 1911 CA ARG A 126 3.457 -15.387 12.501 1.00 0.00 C ATOM 1912 C ARG A 126 3.591 -15.155 11.036 1.00 0.00 C ATOM 1913 O ARG A 126 4.618 -15.373 10.394 1.00 0.00 O ATOM 1914 CB ARG A 126 2.495 -16.564 12.735 1.00 0.00 C ATOM 1915 CG ARG A 126 2.978 -17.990 12.464 1.00 0.00 C ATOM 1916 CD ARG A 126 1.868 -19.006 12.189 1.00 0.00 C ATOM 1917 NE ARG A 126 1.089 -19.081 13.457 1.00 0.00 N ATOM 1918 CZ ARG A 126 -0.257 -19.010 13.676 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -1.151 -18.815 12.663 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -0.744 -19.170 14.941 1.00 0.00 N ATOM 0 H ARG A 126 2.027 -14.448 13.605 1.00 0.00 H new ATOM 0 HA ARG A 126 4.449 -15.598 12.901 1.00 0.00 H new ATOM 0 HB2 ARG A 126 2.170 -16.520 13.775 1.00 0.00 H new ATOM 0 HB3 ARG A 126 1.613 -16.394 12.118 1.00 0.00 H new ATOM 0 HG2 ARG A 126 3.654 -17.972 11.609 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.558 -18.331 13.322 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.239 -18.687 11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 126 2.281 -19.979 11.922 1.00 0.00 H new ATOM 0 HE ARG A 126 1.653 -19.206 14.298 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -0.821 -18.717 11.703 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.149 -18.768 12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.104 -19.341 15.716 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -1.748 -19.118 15.111 1.00 0.00 H new ATOM 1934 N GLU A 127 2.449 -14.685 10.504 1.00 0.00 N ATOM 1935 CA GLU A 127 2.308 -14.212 9.162 1.00 0.00 C ATOM 1936 C GLU A 127 3.264 -13.110 8.856 1.00 0.00 C ATOM 1937 O GLU A 127 3.768 -13.136 7.735 1.00 0.00 O ATOM 1938 CB GLU A 127 0.881 -14.004 8.628 1.00 0.00 C ATOM 1939 CG GLU A 127 0.011 -15.255 8.767 1.00 0.00 C ATOM 1940 CD GLU A 127 0.236 -16.225 7.616 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -0.030 -15.882 6.434 1.00 0.00 O ATOM 1942 OE2 GLU A 127 0.720 -17.348 7.922 1.00 0.00 O ATOM 0 H GLU A 127 1.581 -14.632 11.037 1.00 0.00 H new ATOM 0 HA GLU A 127 2.604 -15.067 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.413 -13.179 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.929 -13.714 7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.235 -15.752 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.040 -14.966 8.800 1.00 0.00 H new ATOM 1949 N ALA A 128 3.466 -12.149 9.775 1.00 0.00 N ATOM 1950 CA ALA A 128 4.365 -11.075 9.487 1.00 0.00 C ATOM 1951 C ALA A 128 5.827 -11.290 9.680 1.00 0.00 C ATOM 1952 O ALA A 128 6.634 -10.970 8.809 1.00 0.00 O ATOM 1953 CB ALA A 128 3.901 -10.151 10.625 1.00 0.00 C ATOM 0 H ALA A 128 3.021 -12.113 10.692 1.00 0.00 H new ATOM 0 HA ALA A 128 4.315 -10.786 8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.476 -9.226 10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.842 -9.923 10.500 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.055 -10.648 11.583 1.00 0.00 H new ATOM 1959 N ASP A 129 6.234 -11.934 10.788 1.00 0.00 N ATOM 1960 CA ASP A 129 7.570 -12.334 11.107 1.00 0.00 C ATOM 1961 C ASP A 129 8.046 -13.318 10.095 1.00 0.00 C ATOM 1962 O ASP A 129 7.531 -14.411 9.864 1.00 0.00 O ATOM 1963 CB ASP A 129 7.747 -12.715 12.587 1.00 0.00 C ATOM 1964 CG ASP A 129 9.170 -13.177 12.866 1.00 0.00 C ATOM 1965 OD1 ASP A 129 10.134 -12.423 12.567 1.00 0.00 O ATOM 1966 OD2 ASP A 129 9.398 -14.321 13.342 1.00 0.00 O ATOM 0 H ASP A 129 5.574 -12.196 11.520 1.00 0.00 H new ATOM 0 HA ASP A 129 8.246 -11.483 11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.509 -11.858 13.217 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.046 -13.508 12.848 1.00 0.00 H new ATOM 1971 N ILE A 130 9.140 -12.825 9.488 1.00 0.00 N ATOM 1972 CA ILE A 130 9.933 -13.670 8.650 1.00 0.00 C ATOM 1973 C ILE A 130 11.053 -14.332 9.376 1.00 0.00 C ATOM 1974 O ILE A 130 11.128 -15.560 9.393 1.00 0.00 O ATOM 1975 CB ILE A 130 10.210 -12.921 7.380 1.00 0.00 C ATOM 1976 CG1 ILE A 130 8.889 -12.769 6.606 1.00 0.00 C ATOM 1977 CG2 ILE A 130 11.122 -13.738 6.449 1.00 0.00 C ATOM 1978 CD1 ILE A 130 8.922 -11.721 5.494 1.00 0.00 C ATOM 0 H ILE A 130 9.470 -11.864 9.573 1.00 0.00 H new ATOM 0 HA ILE A 130 9.402 -14.568 8.335 1.00 0.00 H new ATOM 0 HB ILE A 130 10.670 -11.970 7.647 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.624 -13.733 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.098 -12.509 7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 130 11.308 -13.174 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 130 12.069 -13.938 6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.636 -14.682 6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 130 7.950 -11.682 5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.153 -10.745 5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.687 -11.988 4.765 1.00 0.00 H new ATOM 1990 N ASP A 131 12.072 -13.601 9.861 1.00 0.00 N ATOM 1991 CA ASP A 131 13.262 -14.184 10.397 1.00 0.00 C ATOM 1992 C ASP A 131 13.296 -14.917 11.694 1.00 0.00 C ATOM 1993 O ASP A 131 14.321 -15.096 12.350 1.00 0.00 O ATOM 1994 CB ASP A 131 14.503 -13.283 10.278 1.00 0.00 C ATOM 1995 CG ASP A 131 14.350 -11.853 10.775 1.00 0.00 C ATOM 1996 OD1 ASP A 131 13.778 -11.789 11.896 1.00 0.00 O ATOM 1997 OD2 ASP A 131 14.836 -10.829 10.223 1.00 0.00 O ATOM 0 H ASP A 131 12.069 -12.581 9.881 1.00 0.00 H new ATOM 0 HA ASP A 131 13.267 -15.021 9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 131 15.319 -13.751 10.829 1.00 0.00 H new ATOM 0 HB3 ASP A 131 14.803 -13.251 9.231 1.00 0.00 H new ATOM 2002 N GLY A 132 12.151 -15.371 12.235 1.00 0.00 N ATOM 2003 CA GLY A 132 12.238 -16.398 13.227 1.00 0.00 C ATOM 2004 C GLY A 132 12.131 -16.014 14.663 1.00 0.00 C ATOM 2005 O GLY A 132 11.849 -16.900 15.468 1.00 0.00 O ATOM 0 H GLY A 132 11.212 -15.049 12.003 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.453 -17.126 13.020 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.191 -16.909 13.091 1.00 0.00 H new ATOM 2009 N ASP A 133 12.374 -14.750 15.053 1.00 0.00 N ATOM 2010 CA ASP A 133 12.337 -14.309 16.413 1.00 0.00 C ATOM 2011 C ASP A 133 10.920 -14.363 16.872 1.00 0.00 C ATOM 2012 O ASP A 133 10.625 -14.604 18.041 1.00 0.00 O ATOM 2013 CB ASP A 133 13.048 -12.970 16.670 1.00 0.00 C ATOM 2014 CG ASP A 133 12.680 -11.801 15.768 1.00 0.00 C ATOM 2015 OD1 ASP A 133 11.877 -11.946 14.808 1.00 0.00 O ATOM 2016 OD2 ASP A 133 13.218 -10.706 16.084 1.00 0.00 O ATOM 0 H ASP A 133 12.605 -14.006 14.395 1.00 0.00 H new ATOM 0 HA ASP A 133 12.932 -14.986 17.025 1.00 0.00 H new ATOM 0 HB2 ASP A 133 12.851 -12.676 17.701 1.00 0.00 H new ATOM 0 HB3 ASP A 133 14.122 -13.136 16.586 1.00 0.00 H new ATOM 2021 N GLY A 134 9.993 -13.990 15.972 1.00 0.00 N ATOM 2022 CA GLY A 134 8.643 -13.797 16.404 1.00 0.00 C ATOM 2023 C GLY A 134 8.376 -12.347 16.617 1.00 0.00 C ATOM 2024 O GLY A 134 7.439 -11.969 17.319 1.00 0.00 O ATOM 0 H GLY A 134 10.167 -13.827 14.980 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.954 -14.196 15.659 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.467 -14.347 17.328 1.00 0.00 H new ATOM 2028 N GLN A 135 9.273 -11.432 16.206 1.00 0.00 N ATOM 2029 CA GLN A 135 8.996 -10.030 16.253 1.00 0.00 C ATOM 2030 C GLN A 135 8.949 -9.481 14.869 1.00 0.00 C ATOM 2031 O GLN A 135 9.770 -9.885 14.047 1.00 0.00 O ATOM 2032 CB GLN A 135 10.122 -9.251 16.953 1.00 0.00 C ATOM 2033 CG GLN A 135 10.152 -9.398 18.475 1.00 0.00 C ATOM 2034 CD GLN A 135 11.372 -8.645 18.986 1.00 0.00 C ATOM 2035 OE1 GLN A 135 12.459 -8.794 18.182 1.00 0.00 O flip ATOM 2036 NE2 GLN A 135 11.311 -7.921 19.979 1.00 0.00 N flip ATOM 0 H GLN A 135 10.196 -11.666 15.839 1.00 0.00 H new ATOM 0 HA GLN A 135 8.053 -9.919 16.788 1.00 0.00 H new ATOM 0 HB2 GLN A 135 11.079 -9.583 16.551 1.00 0.00 H new ATOM 0 HB3 GLN A 135 10.022 -8.194 16.706 1.00 0.00 H new ATOM 0 HG2 GLN A 135 9.241 -8.995 18.917 1.00 0.00 H new ATOM 0 HG3 GLN A 135 10.205 -10.449 18.757 1.00 0.00 H new ATOM 0 HE21 GLN A 135 10.450 -7.873 20.523 1.00 0.00 H new ATOM 0 HE22 GLN A 135 12.122 -7.369 20.258 1.00 0.00 H new ATOM 2045 N VAL A 136 8.121 -8.435 14.693 1.00 0.00 N ATOM 2046 CA VAL A 136 7.832 -7.853 13.419 1.00 0.00 C ATOM 2047 C VAL A 136 8.658 -6.617 13.312 1.00 0.00 C ATOM 2048 O VAL A 136 8.479 -5.621 14.011 1.00 0.00 O ATOM 2049 CB VAL A 136 6.360 -7.684 13.181 1.00 0.00 C ATOM 2050 CG1 VAL A 136 6.178 -7.296 11.704 1.00 0.00 C ATOM 2051 CG2 VAL A 136 5.775 -9.086 13.421 1.00 0.00 C ATOM 0 H VAL A 136 7.636 -7.979 15.465 1.00 0.00 H new ATOM 0 HA VAL A 136 8.111 -8.516 12.600 1.00 0.00 H new ATOM 0 HB VAL A 136 5.889 -6.930 13.812 1.00 0.00 H new ATOM 0 HG11 VAL A 136 5.117 -7.164 11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 136 6.707 -6.364 11.505 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.580 -8.085 11.068 1.00 0.00 H new ATOM 0 HG21 VAL A 136 4.696 -9.061 13.269 1.00 0.00 H new ATOM 0 HG22 VAL A 136 6.224 -9.792 12.722 1.00 0.00 H new ATOM 0 HG23 VAL A 136 5.990 -9.400 14.442 1.00 0.00 H new ATOM 2061 N ASN A 137 9.664 -6.673 12.422 1.00 0.00 N ATOM 2062 CA ASN A 137 10.565 -5.584 12.206 1.00 0.00 C ATOM 2063 C ASN A 137 9.995 -4.748 11.111 1.00 0.00 C ATOM 2064 O ASN A 137 9.155 -5.224 10.349 1.00 0.00 O ATOM 2065 CB ASN A 137 11.977 -6.015 11.774 1.00 0.00 C ATOM 2066 CG ASN A 137 13.024 -4.912 11.831 1.00 0.00 C ATOM 2067 OD1 ASN A 137 12.753 -3.719 11.950 1.00 0.00 O ATOM 2068 ND2 ASN A 137 14.317 -5.325 11.736 1.00 0.00 N ATOM 0 H ASN A 137 9.856 -7.490 11.841 1.00 0.00 H new ATOM 0 HA ASN A 137 10.669 -5.056 13.154 1.00 0.00 H new ATOM 0 HB2 ASN A 137 12.301 -6.838 12.410 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.929 -6.399 10.755 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.074 -4.642 11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 137 14.529 -6.318 11.638 1.00 0.00 H new ATOM 2075 N TYR A 138 10.433 -3.492 10.913 1.00 0.00 N ATOM 2076 CA TYR A 138 10.010 -2.560 9.914 1.00 0.00 C ATOM 2077 C TYR A 138 9.987 -3.133 8.539 1.00 0.00 C ATOM 2078 O TYR A 138 8.981 -2.913 7.865 1.00 0.00 O ATOM 2079 CB TYR A 138 10.906 -1.310 9.917 1.00 0.00 C ATOM 2080 CG TYR A 138 10.292 -0.168 9.184 1.00 0.00 C ATOM 2081 CD1 TYR A 138 9.106 0.382 9.612 1.00 0.00 C ATOM 2082 CD2 TYR A 138 10.853 0.086 7.955 1.00 0.00 C ATOM 2083 CE1 TYR A 138 8.513 1.399 8.901 1.00 0.00 C ATOM 2084 CE2 TYR A 138 10.212 1.051 7.214 1.00 0.00 C ATOM 2085 CZ TYR A 138 9.100 1.701 7.695 1.00 0.00 C ATOM 2086 OH TYR A 138 8.505 2.740 6.948 1.00 0.00 O ATOM 0 H TYR A 138 11.154 -3.092 11.513 1.00 0.00 H new ATOM 0 HA TYR A 138 8.986 -2.295 10.178 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.105 -1.012 10.946 1.00 0.00 H new ATOM 0 HB3 TYR A 138 11.867 -1.554 9.464 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.637 0.013 10.512 1.00 0.00 H new ATOM 0 HD2 TYR A 138 11.731 -0.433 7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.644 1.926 9.266 1.00 0.00 H new ATOM 0 HE2 TYR A 138 10.590 1.303 6.234 1.00 0.00 H new ATOM 0 HH TYR A 138 9.003 2.869 6.114 1.00 0.00 H new ATOM 2096 N GLU A 139 11.018 -3.834 8.036 1.00 0.00 N ATOM 2097 CA GLU A 139 11.013 -4.447 6.744 1.00 0.00 C ATOM 2098 C GLU A 139 9.909 -5.432 6.561 1.00 0.00 C ATOM 2099 O GLU A 139 9.308 -5.605 5.502 1.00 0.00 O ATOM 2100 CB GLU A 139 12.305 -5.034 6.152 1.00 0.00 C ATOM 2101 CG GLU A 139 13.481 -4.069 5.987 1.00 0.00 C ATOM 2102 CD GLU A 139 14.355 -3.921 7.224 1.00 0.00 C ATOM 2103 OE1 GLU A 139 13.844 -4.130 8.357 1.00 0.00 O ATOM 2104 OE2 GLU A 139 15.514 -3.455 7.058 1.00 0.00 O ATOM 0 H GLU A 139 11.888 -3.980 8.548 1.00 0.00 H new ATOM 0 HA GLU A 139 10.860 -3.540 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 139 12.627 -5.859 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 139 12.071 -5.457 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.101 -4.411 5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.094 -3.088 5.712 1.00 0.00 H new ATOM 2111 N GLU A 140 9.669 -6.209 7.632 1.00 0.00 N ATOM 2112 CA GLU A 140 8.808 -7.349 7.571 1.00 0.00 C ATOM 2113 C GLU A 140 7.365 -6.982 7.639 1.00 0.00 C ATOM 2114 O GLU A 140 6.637 -7.574 6.843 1.00 0.00 O ATOM 2115 CB GLU A 140 9.043 -8.291 8.764 1.00 0.00 C ATOM 2116 CG GLU A 140 10.513 -8.684 8.923 1.00 0.00 C ATOM 2117 CD GLU A 140 10.730 -9.523 10.174 1.00 0.00 C ATOM 2118 OE1 GLU A 140 10.466 -9.106 11.333 1.00 0.00 O ATOM 2119 OE2 GLU A 140 11.176 -10.691 10.013 1.00 0.00 O ATOM 0 H GLU A 140 10.077 -6.044 8.552 1.00 0.00 H new ATOM 0 HA GLU A 140 9.043 -7.824 6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 140 8.699 -7.806 9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 140 8.442 -9.191 8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 140 10.839 -9.244 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 140 11.128 -7.786 8.974 1.00 0.00 H new ATOM 2126 N PHE A 141 7.007 -5.968 8.445 1.00 0.00 N ATOM 2127 CA PHE A 141 5.714 -5.358 8.408 1.00 0.00 C ATOM 2128 C PHE A 141 5.428 -4.840 7.041 1.00 0.00 C ATOM 2129 O PHE A 141 4.371 -5.126 6.480 1.00 0.00 O ATOM 2130 CB PHE A 141 5.571 -4.314 9.529 1.00 0.00 C ATOM 2131 CG PHE A 141 4.232 -3.671 9.655 1.00 0.00 C ATOM 2132 CD1 PHE A 141 3.197 -4.193 10.395 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.049 -2.433 9.087 1.00 0.00 C ATOM 2134 CE1 PHE A 141 1.988 -3.538 10.425 1.00 0.00 C ATOM 2135 CE2 PHE A 141 2.863 -1.746 9.207 1.00 0.00 C ATOM 2136 CZ PHE A 141 1.828 -2.257 9.953 1.00 0.00 C ATOM 0 H PHE A 141 7.632 -5.561 9.141 1.00 0.00 H new ATOM 0 HA PHE A 141 4.945 -6.103 8.611 1.00 0.00 H new ATOM 0 HB2 PHE A 141 5.813 -4.793 10.478 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.314 -3.533 9.368 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.333 -5.110 10.948 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.860 -1.986 8.530 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.131 -4.050 10.836 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.744 -0.795 8.710 1.00 0.00 H new ATOM 0 HZ PHE A 141 0.937 -1.683 10.157 1.00 0.00 H new ATOM 2146 N VAL A 142 6.357 -4.055 6.468 1.00 0.00 N ATOM 2147 CA VAL A 142 6.180 -3.409 5.204 1.00 0.00 C ATOM 2148 C VAL A 142 6.150 -4.315 4.021 1.00 0.00 C ATOM 2149 O VAL A 142 5.276 -4.132 3.175 1.00 0.00 O ATOM 2150 CB VAL A 142 7.181 -2.293 5.178 1.00 0.00 C ATOM 2151 CG1 VAL A 142 7.490 -1.834 3.743 1.00 0.00 C ATOM 2152 CG2 VAL A 142 6.921 -1.177 6.203 1.00 0.00 C ATOM 0 H VAL A 142 7.262 -3.863 6.898 1.00 0.00 H new ATOM 0 HA VAL A 142 5.175 -2.998 5.109 1.00 0.00 H new ATOM 0 HB VAL A 142 8.120 -2.707 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 142 8.219 -1.024 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.896 -2.670 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 142 6.574 -1.482 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 142 7.693 -0.413 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.945 -0.730 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 142 6.940 -1.595 7.209 1.00 0.00 H new ATOM 2162 N GLN A 143 6.955 -5.388 3.932 1.00 0.00 N ATOM 2163 CA GLN A 143 6.907 -6.357 2.881 1.00 0.00 C ATOM 2164 C GLN A 143 5.593 -7.060 2.907 1.00 0.00 C ATOM 2165 O GLN A 143 5.180 -7.696 1.939 1.00 0.00 O ATOM 2166 CB GLN A 143 8.128 -7.273 3.062 1.00 0.00 C ATOM 2167 CG GLN A 143 8.235 -8.469 2.114 1.00 0.00 C ATOM 2168 CD GLN A 143 9.548 -9.224 2.265 1.00 0.00 C ATOM 2169 OE1 GLN A 143 9.519 -10.362 2.730 1.00 0.00 O ATOM 2170 NE2 GLN A 143 10.654 -8.629 1.744 1.00 0.00 N ATOM 0 H GLN A 143 7.674 -5.590 4.626 1.00 0.00 H new ATOM 0 HA GLN A 143 6.968 -5.912 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.027 -6.668 2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 143 8.123 -7.649 4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 143 7.405 -9.151 2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.137 -8.122 1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 143 10.597 -7.679 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 143 11.541 -9.132 1.721 1.00 0.00 H new ATOM 2179 N MET A 144 4.802 -7.091 3.995 1.00 0.00 N ATOM 2180 CA MET A 144 3.479 -7.627 4.076 1.00 0.00 C ATOM 2181 C MET A 144 2.527 -6.686 3.422 1.00 0.00 C ATOM 2182 O MET A 144 1.679 -7.007 2.591 1.00 0.00 O ATOM 2183 CB MET A 144 3.160 -8.055 5.518 1.00 0.00 C ATOM 2184 CG MET A 144 1.712 -8.483 5.771 1.00 0.00 C ATOM 2185 SD MET A 144 1.644 -9.252 7.417 1.00 0.00 S ATOM 2186 CE MET A 144 1.768 -7.685 8.326 1.00 0.00 C ATOM 0 H MET A 144 5.115 -6.710 4.888 1.00 0.00 H new ATOM 0 HA MET A 144 3.379 -8.555 3.513 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.818 -8.881 5.788 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.398 -7.227 6.186 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.045 -7.623 5.723 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.382 -9.186 5.006 1.00 0.00 H new ATOM 0 HE1 MET A 144 0.980 -7.637 9.077 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.740 -7.624 8.816 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.659 -6.852 7.632 1.00 0.00 H new ATOM 2196 N MET A 145 2.729 -5.380 3.676 1.00 0.00 N ATOM 2197 CA MET A 145 1.891 -4.352 3.143 1.00 0.00 C ATOM 2198 C MET A 145 2.194 -3.996 1.728 1.00 0.00 C ATOM 2199 O MET A 145 1.380 -3.348 1.071 1.00 0.00 O ATOM 2200 CB MET A 145 2.133 -3.086 3.983 1.00 0.00 C ATOM 2201 CG MET A 145 1.295 -3.214 5.256 1.00 0.00 C ATOM 2202 SD MET A 145 1.036 -1.631 6.110 1.00 0.00 S ATOM 2203 CE MET A 145 -0.132 -2.282 7.339 1.00 0.00 C ATOM 0 H MET A 145 3.488 -5.032 4.262 1.00 0.00 H new ATOM 0 HA MET A 145 0.866 -4.723 3.176 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.190 -2.984 4.228 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.848 -2.194 3.424 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.326 -3.645 5.003 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.785 -3.910 5.937 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.257 -1.556 8.143 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.095 -2.466 6.864 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.254 -3.215 7.749 1.00 0.00 H new