USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 584 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 44 HIS : no HE2:sc= -0.953! C(o=-0.44!,f=-4.5!) USER MOD Set 1.2: A 67 SER OG : rot -39:sc= 0.503 USER MOD Set 1.3: A 74 THR OG1 : rot 105:sc= 0.0148 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -105:sc= -1.5 (180deg=-3.95!) USER MOD Single : A 6 SER OG : rot 37:sc= 0.176 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.273 F(o=-2.4!,f=-0.27) USER MOD Single : A 14 ASN : amide:sc= 0.632 K(o=0.63,f=0) USER MOD Single : A 16 SER OG : rot 80:sc= 0.461 USER MOD Single : A 22 ASN : amide:sc= -2.16 K(o=-2.2,f=-5.1!) USER MOD Single : A 26 GLN : amide:sc= 0.712 K(o=0.71,f=-5.9!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.106 F(o=-0.63,f=-0.11) USER MOD Single : A 28 SER OG : rot 180:sc= -0.553 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= -0.114 K(o=-0.11,f=-3.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -0.665! (180deg=-3.09!) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.243 5.593 -5.447 1.00 64.54 N ATOM 2 CA GLY A 1 -8.776 5.384 -5.418 1.00 63.31 C ATOM 3 C GLY A 1 -8.383 4.017 -5.942 1.00 45.41 C ATOM 4 O GLY A 1 -8.780 2.999 -5.369 1.00 52.30 O ATOM 0 H1 GLY A 1 -10.466 6.540 -5.080 1.00 64.54 H new ATOM 0 H2 GLY A 1 -10.586 5.511 -6.425 1.00 64.54 H new ATOM 0 H3 GLY A 1 -10.708 4.875 -4.856 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -8.289 6.154 -6.016 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -8.414 5.497 -4.396 1.00 63.31 H new ATOM 10 N PRO A 2 -7.610 3.957 -7.046 1.00 71.21 N ATOM 11 CA PRO A 2 -7.162 2.693 -7.638 1.00 1.44 C ATOM 12 C PRO A 2 -5.935 2.117 -6.921 1.00 72.44 C ATOM 13 O PRO A 2 -5.570 2.568 -5.831 1.00 54.42 O ATOM 14 CB PRO A 2 -6.818 3.102 -9.074 1.00 51.43 C ATOM 15 CG PRO A 2 -6.340 4.509 -8.954 1.00 23.45 C ATOM 16 CD PRO A 2 -7.116 5.126 -7.812 1.00 11.23 C ATOM 0 HA PRO A 2 -7.913 1.906 -7.569 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -6.049 2.456 -9.498 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -7.688 3.032 -9.726 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -5.268 4.540 -8.757 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -6.510 5.058 -9.880 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -6.483 5.767 -7.199 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -7.938 5.743 -8.175 1.00 11.23 H new ATOM 24 N GLY A 3 -5.296 1.129 -7.548 1.00 40.44 N ATOM 25 CA GLY A 3 -4.131 0.483 -6.958 1.00 52.53 C ATOM 26 C GLY A 3 -4.414 -0.953 -6.562 1.00 44.43 C ATOM 27 O GLY A 3 -3.556 -1.629 -5.993 1.00 41.21 O ATOM 0 H GLY A 3 -5.567 0.762 -8.460 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -3.305 0.506 -7.669 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -3.812 1.044 -6.080 1.00 52.53 H new ATOM 31 N SER A 4 -5.626 -1.409 -6.852 1.00 41.10 N ATOM 32 CA SER A 4 -6.043 -2.770 -6.539 1.00 64.44 C ATOM 33 C SER A 4 -5.488 -3.767 -7.563 1.00 54.20 C ATOM 34 O SER A 4 -5.082 -3.381 -8.662 1.00 10.33 O ATOM 35 CB SER A 4 -7.572 -2.833 -6.516 1.00 64.41 C ATOM 36 OG SER A 4 -8.104 -1.806 -5.696 1.00 10.53 O ATOM 0 H SER A 4 -6.345 -0.848 -7.309 1.00 41.10 H new ATOM 0 HA SER A 4 -5.647 -3.043 -5.561 1.00 64.44 H new ATOM 0 HB2 SER A 4 -7.960 -2.734 -7.530 1.00 64.41 H new ATOM 0 HB3 SER A 4 -7.895 -3.806 -6.145 1.00 64.41 H new ATOM 0 HG SER A 4 -9.082 -1.862 -5.695 1.00 10.53 H new ATOM 42 N MET A 5 -5.476 -5.049 -7.191 1.00 31.34 N ATOM 43 CA MET A 5 -5.051 -6.124 -8.094 1.00 4.33 C ATOM 44 C MET A 5 -6.137 -6.402 -9.129 1.00 34.52 C ATOM 45 O MET A 5 -5.877 -6.989 -10.182 1.00 40.22 O ATOM 46 CB MET A 5 -4.742 -7.407 -7.302 1.00 72.43 C ATOM 47 CG MET A 5 -3.440 -7.368 -6.501 1.00 13.45 C ATOM 48 SD MET A 5 -3.234 -5.859 -5.526 1.00 24.43 S ATOM 49 CE MET A 5 -2.205 -4.878 -6.622 1.00 72.00 C ATOM 0 H MET A 5 -5.757 -5.370 -6.265 1.00 31.34 H new ATOM 0 HA MET A 5 -4.144 -5.803 -8.606 1.00 4.33 H new ATOM 0 HB2 MET A 5 -5.568 -7.602 -6.618 1.00 72.43 H new ATOM 0 HB3 MET A 5 -4.699 -8.245 -7.998 1.00 72.43 H new ATOM 0 HG2 MET A 5 -3.408 -8.229 -5.833 1.00 13.45 H new ATOM 0 HG3 MET A 5 -2.598 -7.465 -7.187 1.00 13.45 H new ATOM 0 HE1 MET A 5 -1.182 -4.864 -6.246 1.00 72.00 H new ATOM 0 HE2 MET A 5 -2.218 -5.314 -7.621 1.00 72.00 H new ATOM 0 HE3 MET A 5 -2.589 -3.859 -6.666 1.00 72.00 H new ATOM 59 N SER A 6 -7.351 -5.985 -8.806 1.00 74.20 N ATOM 60 CA SER A 6 -8.497 -6.138 -9.688 1.00 0.11 C ATOM 61 C SER A 6 -9.420 -4.925 -9.553 1.00 25.10 C ATOM 62 O SER A 6 -9.898 -4.621 -8.455 1.00 15.20 O ATOM 63 CB SER A 6 -9.242 -7.436 -9.341 1.00 43.50 C ATOM 64 OG SER A 6 -9.523 -7.511 -7.949 1.00 53.04 O ATOM 0 H SER A 6 -7.570 -5.529 -7.920 1.00 74.20 H new ATOM 0 HA SER A 6 -8.160 -6.198 -10.723 1.00 0.11 H new ATOM 0 HB2 SER A 6 -10.173 -7.486 -9.906 1.00 43.50 H new ATOM 0 HB3 SER A 6 -8.641 -8.295 -9.640 1.00 43.50 H new ATOM 0 HG SER A 6 -9.741 -6.618 -7.611 1.00 53.04 H new ATOM 70 N ILE A 7 -9.652 -4.224 -10.662 1.00 31.23 N ATOM 71 CA ILE A 7 -10.502 -3.037 -10.664 1.00 15.14 C ATOM 72 C ILE A 7 -11.902 -3.385 -11.186 1.00 55.21 C ATOM 73 O ILE A 7 -12.767 -3.795 -10.413 1.00 65.33 O ATOM 74 CB ILE A 7 -9.877 -1.890 -11.508 1.00 4.15 C ATOM 75 CG1 ILE A 7 -8.444 -1.591 -11.021 1.00 23.20 C ATOM 76 CG2 ILE A 7 -10.746 -0.628 -11.439 1.00 34.01 C ATOM 77 CD1 ILE A 7 -7.735 -0.510 -11.812 1.00 34.15 C ATOM 0 H ILE A 7 -9.261 -4.460 -11.574 1.00 31.23 H new ATOM 0 HA ILE A 7 -10.585 -2.684 -9.636 1.00 15.14 H new ATOM 0 HB ILE A 7 -9.831 -2.211 -12.549 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -8.482 -1.293 -9.973 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -7.856 -2.508 -11.071 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -10.290 0.161 -12.037 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -11.740 -0.849 -11.828 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -10.827 -0.298 -10.403 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -6.734 -0.360 -11.407 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -7.662 -0.812 -12.857 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -8.298 0.421 -11.742 1.00 34.15 H new ATOM 89 N ASN A 8 -12.115 -3.255 -12.498 1.00 54.12 N ATOM 90 CA ASN A 8 -13.417 -3.540 -13.114 1.00 25.44 C ATOM 91 C ASN A 8 -13.212 -3.979 -14.561 1.00 50.11 C ATOM 92 O ASN A 8 -12.283 -3.510 -15.219 1.00 64.43 O ATOM 93 CB ASN A 8 -14.350 -2.309 -13.074 1.00 20.10 C ATOM 94 CG ASN A 8 -14.796 -1.930 -11.667 1.00 43.15 C ATOM 95 OD1 ASN A 8 -14.110 -0.975 -11.056 1.00 32.04 O flip ATOM 96 ND2 ASN A 8 -15.771 -2.471 -11.144 1.00 53.11 N flip ATOM 0 H ASN A 8 -11.399 -2.953 -13.159 1.00 54.12 H new ATOM 0 HA ASN A 8 -13.891 -4.338 -12.543 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -13.837 -1.460 -13.525 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -15.231 -2.510 -13.684 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -16.277 -3.203 -11.643 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -16.073 -2.187 -10.212 1.00 53.11 H new ATOM 103 N PRO A 9 -14.065 -4.891 -15.073 1.00 24.42 N ATOM 104 CA PRO A 9 -13.942 -5.426 -16.439 1.00 34.30 C ATOM 105 C PRO A 9 -14.034 -4.349 -17.529 1.00 64.14 C ATOM 106 O PRO A 9 -15.087 -4.146 -18.135 1.00 71.44 O ATOM 107 CB PRO A 9 -15.114 -6.418 -16.553 1.00 41.24 C ATOM 108 CG PRO A 9 -15.473 -6.749 -15.145 1.00 53.41 C ATOM 109 CD PRO A 9 -15.207 -5.496 -14.357 1.00 62.43 C ATOM 0 HA PRO A 9 -12.964 -5.881 -16.594 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -15.957 -5.974 -17.082 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -14.824 -7.311 -17.107 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -16.518 -7.047 -15.066 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -14.875 -7.581 -14.773 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -16.073 -4.834 -14.346 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -14.961 -5.717 -13.318 1.00 62.43 H new ATOM 117 N PHE A 10 -12.928 -3.647 -17.745 1.00 40.41 N ATOM 118 CA PHE A 10 -12.784 -2.717 -18.862 1.00 31.52 C ATOM 119 C PHE A 10 -11.454 -3.003 -19.544 1.00 72.32 C ATOM 120 O PHE A 10 -10.402 -2.559 -19.076 1.00 51.11 O ATOM 121 CB PHE A 10 -12.825 -1.253 -18.388 1.00 3.43 C ATOM 122 CG PHE A 10 -14.071 -0.885 -17.620 1.00 33.53 C ATOM 123 CD1 PHE A 10 -15.318 -0.925 -18.229 1.00 15.31 C ATOM 124 CD2 PHE A 10 -13.992 -0.490 -16.291 1.00 51.51 C ATOM 125 CE1 PHE A 10 -16.459 -0.587 -17.526 1.00 50.24 C ATOM 126 CE2 PHE A 10 -15.130 -0.150 -15.587 1.00 54.40 C ATOM 127 CZ PHE A 10 -16.364 -0.197 -16.205 1.00 35.42 C ATOM 0 H PHE A 10 -12.102 -3.706 -17.149 1.00 40.41 H new ATOM 0 HA PHE A 10 -13.614 -2.857 -19.554 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -11.955 -1.062 -17.760 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -12.741 -0.599 -19.256 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -15.397 -1.224 -19.264 1.00 15.31 H new ATOM 0 HD2 PHE A 10 -13.030 -0.448 -15.803 1.00 51.51 H new ATOM 0 HE1 PHE A 10 -17.424 -0.628 -18.010 1.00 50.24 H new ATOM 0 HE2 PHE A 10 -15.055 0.153 -14.553 1.00 54.40 H new ATOM 0 HZ PHE A 10 -17.254 0.071 -15.655 1.00 35.42 H new ATOM 137 N ASP A 11 -11.488 -3.773 -20.625 1.00 1.54 N ATOM 138 CA ASP A 11 -10.258 -4.268 -21.229 1.00 3.31 C ATOM 139 C ASP A 11 -10.313 -4.295 -22.756 1.00 75.40 C ATOM 140 O ASP A 11 -11.349 -4.582 -23.360 1.00 13.31 O ATOM 141 CB ASP A 11 -9.943 -5.674 -20.695 1.00 60.33 C ATOM 142 CG ASP A 11 -10.946 -6.728 -21.153 1.00 70.42 C ATOM 143 OD1 ASP A 11 -12.092 -6.726 -20.655 1.00 15.20 O ATOM 144 OD2 ASP A 11 -10.585 -7.568 -22.007 1.00 63.02 O ATOM 0 H ASP A 11 -12.344 -4.065 -21.097 1.00 1.54 H new ATOM 0 HA ASP A 11 -9.466 -3.573 -20.951 1.00 3.31 H new ATOM 0 HB2 ASP A 11 -8.945 -5.965 -21.022 1.00 60.33 H new ATOM 0 HB3 ASP A 11 -9.926 -5.647 -19.605 1.00 60.33 H new ATOM 149 N ASP A 12 -9.174 -3.950 -23.348 1.00 41.24 N ATOM 150 CA ASP A 12 -8.904 -4.123 -24.775 1.00 42.44 C ATOM 151 C ASP A 12 -7.394 -4.026 -24.962 1.00 73.54 C ATOM 152 O ASP A 12 -6.857 -2.979 -25.320 1.00 63.12 O ATOM 153 CB ASP A 12 -9.638 -3.080 -25.642 1.00 5.22 C ATOM 154 CG ASP A 12 -9.392 -3.270 -27.139 1.00 31.25 C ATOM 155 OD1 ASP A 12 -9.034 -4.395 -27.561 1.00 43.52 O ATOM 156 OD2 ASP A 12 -9.556 -2.292 -27.905 1.00 14.35 O ATOM 0 H ASP A 12 -8.394 -3.533 -22.839 1.00 41.24 H new ATOM 0 HA ASP A 12 -9.277 -5.093 -25.104 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -10.708 -3.140 -25.445 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -9.315 -2.081 -25.350 1.00 5.22 H new ATOM 161 N ASP A 13 -6.717 -5.133 -24.671 1.00 11.11 N ATOM 162 CA ASP A 13 -5.255 -5.159 -24.529 1.00 23.12 C ATOM 163 C ASP A 13 -4.536 -4.861 -25.840 1.00 30.54 C ATOM 164 O ASP A 13 -3.312 -4.708 -25.871 1.00 12.41 O ATOM 165 CB ASP A 13 -4.820 -6.525 -23.991 1.00 74.53 C ATOM 166 CG ASP A 13 -3.451 -6.487 -23.329 1.00 12.31 C ATOM 167 OD1 ASP A 13 -3.306 -5.772 -22.312 1.00 60.13 O ATOM 168 OD2 ASP A 13 -2.526 -7.164 -23.821 1.00 73.14 O ATOM 0 H ASP A 13 -7.161 -6.040 -24.526 1.00 11.11 H new ATOM 0 HA ASP A 13 -4.977 -4.372 -23.828 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -5.558 -6.879 -23.271 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -4.803 -7.245 -24.810 1.00 74.53 H new ATOM 173 N ASN A 14 -5.302 -4.763 -26.914 1.00 10.01 N ATOM 174 CA ASN A 14 -4.747 -4.458 -28.235 1.00 44.32 C ATOM 175 C ASN A 14 -4.223 -3.024 -28.280 1.00 62.12 C ATOM 176 O ASN A 14 -3.401 -2.680 -29.133 1.00 31.00 O ATOM 177 CB ASN A 14 -5.800 -4.662 -29.333 1.00 31.51 C ATOM 178 CG ASN A 14 -6.240 -6.111 -29.457 1.00 23.43 C ATOM 179 OD1 ASN A 14 -5.626 -6.900 -30.175 1.00 1.41 O ATOM 180 ND2 ASN A 14 -7.320 -6.470 -28.778 1.00 73.33 N ATOM 0 H ASN A 14 -6.314 -4.890 -26.903 1.00 10.01 H new ATOM 0 HA ASN A 14 -3.919 -5.144 -28.415 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -6.669 -4.039 -29.119 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -5.395 -4.326 -30.287 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -7.667 -7.427 -28.841 1.00 73.33 H new ATOM 0 HD22 ASN A 14 -7.804 -5.789 -28.192 1.00 73.33 H new ATOM 187 N GLY A 15 -4.700 -2.196 -27.359 1.00 55.21 N ATOM 188 CA GLY A 15 -4.236 -0.827 -27.263 1.00 55.10 C ATOM 189 C GLY A 15 -4.439 -0.265 -25.873 1.00 5.11 C ATOM 190 O GLY A 15 -5.566 -0.210 -25.384 1.00 2.02 O ATOM 0 H GLY A 15 -5.407 -2.453 -26.671 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -3.178 -0.782 -27.523 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -4.769 -0.210 -27.987 1.00 55.10 H new ATOM 194 N SER A 16 -3.346 0.132 -25.227 1.00 4.14 N ATOM 195 CA SER A 16 -3.406 0.700 -23.885 1.00 63.44 C ATOM 196 C SER A 16 -2.254 1.676 -23.650 1.00 71.32 C ATOM 197 O SER A 16 -1.090 1.294 -23.776 1.00 2.12 O ATOM 198 CB SER A 16 -3.359 -0.423 -22.849 1.00 1.03 C ATOM 199 OG SER A 16 -4.398 -1.354 -23.080 1.00 70.32 O ATOM 0 H SER A 16 -2.404 0.070 -25.614 1.00 4.14 H new ATOM 0 HA SER A 16 -4.342 1.250 -23.785 1.00 63.44 H new ATOM 0 HB2 SER A 16 -2.394 -0.928 -22.895 1.00 1.03 H new ATOM 0 HB3 SER A 16 -3.453 -0.005 -21.847 1.00 1.03 H new ATOM 0 HG SER A 16 -4.138 -1.961 -23.804 1.00 70.32 H new ATOM 205 N PHE A 17 -2.596 2.919 -23.296 1.00 33.31 N ATOM 206 CA PHE A 17 -1.613 3.980 -23.018 1.00 3.42 C ATOM 207 C PHE A 17 -0.719 3.718 -21.803 1.00 71.15 C ATOM 208 O PHE A 17 -0.761 2.660 -21.177 1.00 4.05 O ATOM 209 CB PHE A 17 -2.391 5.257 -22.685 1.00 25.25 C ATOM 210 CG PHE A 17 -3.145 5.181 -21.361 1.00 23.11 C ATOM 211 CD1 PHE A 17 -3.753 3.997 -20.942 1.00 74.21 C ATOM 212 CD2 PHE A 17 -3.264 6.297 -20.545 1.00 3.25 C ATOM 213 CE1 PHE A 17 -4.453 3.932 -19.753 1.00 70.22 C ATOM 214 CE2 PHE A 17 -3.974 6.232 -19.356 1.00 25.21 C ATOM 215 CZ PHE A 17 -4.565 5.050 -18.961 1.00 45.40 C ATOM 0 H PHE A 17 -3.564 3.222 -23.193 1.00 33.31 H new ATOM 0 HA PHE A 17 -0.978 4.042 -23.901 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -1.698 6.097 -22.652 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -3.100 5.461 -23.487 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -3.675 3.114 -21.559 1.00 74.21 H new ATOM 0 HD2 PHE A 17 -2.799 7.226 -20.839 1.00 3.25 H new ATOM 0 HE1 PHE A 17 -4.912 3.004 -19.446 1.00 70.22 H new ATOM 0 HE2 PHE A 17 -4.065 7.111 -18.736 1.00 25.21 H new ATOM 0 HZ PHE A 17 -5.114 5.003 -18.032 1.00 45.40 H new ATOM 225 N PHE A 18 0.077 4.737 -21.489 1.00 10.51 N ATOM 226 CA PHE A 18 1.061 4.695 -20.417 1.00 50.04 C ATOM 227 C PHE A 18 0.846 5.870 -19.475 1.00 10.14 C ATOM 228 O PHE A 18 0.628 6.998 -19.923 1.00 64.22 O ATOM 229 CB PHE A 18 2.480 4.758 -21.008 1.00 0.03 C ATOM 230 CG PHE A 18 2.744 5.984 -21.856 1.00 53.34 C ATOM 231 CD1 PHE A 18 2.346 6.024 -23.184 1.00 61.11 C ATOM 232 CD2 PHE A 18 3.384 7.094 -21.322 1.00 52.42 C ATOM 233 CE1 PHE A 18 2.582 7.142 -23.961 1.00 74.44 C ATOM 234 CE2 PHE A 18 3.620 8.214 -22.095 1.00 42.02 C ATOM 235 CZ PHE A 18 3.219 8.240 -23.415 1.00 11.54 C ATOM 0 H PHE A 18 0.054 5.629 -21.983 1.00 10.51 H new ATOM 0 HA PHE A 18 0.945 3.764 -19.863 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.203 4.731 -20.193 1.00 0.03 H new ATOM 0 HB3 PHE A 18 2.649 3.868 -21.613 1.00 0.03 H new ATOM 0 HD1 PHE A 18 1.845 5.170 -23.616 1.00 61.11 H new ATOM 0 HD2 PHE A 18 3.701 7.082 -20.290 1.00 52.42 H new ATOM 0 HE1 PHE A 18 2.269 7.158 -24.994 1.00 74.44 H new ATOM 0 HE2 PHE A 18 4.119 9.070 -21.666 1.00 42.02 H new ATOM 0 HZ PHE A 18 3.402 9.116 -24.020 1.00 11.54 H new ATOM 245 N VAL A 19 0.909 5.607 -18.173 1.00 64.01 N ATOM 246 CA VAL A 19 0.744 6.651 -17.161 1.00 61.04 C ATOM 247 C VAL A 19 1.595 6.329 -15.929 1.00 43.40 C ATOM 248 O VAL A 19 1.578 5.199 -15.417 1.00 52.44 O ATOM 249 CB VAL A 19 -0.749 6.847 -16.748 1.00 53.32 C ATOM 250 CG1 VAL A 19 -0.871 7.758 -15.528 1.00 65.33 C ATOM 251 CG2 VAL A 19 -1.573 7.415 -17.908 1.00 2.33 C ATOM 0 H VAL A 19 1.074 4.676 -17.791 1.00 64.01 H new ATOM 0 HA VAL A 19 1.082 7.588 -17.604 1.00 61.04 H new ATOM 0 HB VAL A 19 -1.144 5.865 -16.488 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -1.922 7.875 -15.265 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.334 7.316 -14.689 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -0.444 8.734 -15.759 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -2.608 7.541 -17.591 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -1.165 8.381 -18.206 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -1.533 6.728 -18.753 1.00 2.33 H new ATOM 261 N LEU A 20 2.346 7.323 -15.471 1.00 71.33 N ATOM 262 CA LEU A 20 3.247 7.168 -14.338 1.00 52.24 C ATOM 263 C LEU A 20 2.650 7.790 -13.081 1.00 2.41 C ATOM 264 O LEU A 20 2.063 8.875 -13.123 1.00 61.32 O ATOM 265 CB LEU A 20 4.598 7.830 -14.646 1.00 34.34 C ATOM 266 CG LEU A 20 5.641 7.776 -13.513 1.00 23.03 C ATOM 267 CD1 LEU A 20 6.042 6.336 -13.207 1.00 45.00 C ATOM 268 CD2 LEU A 20 6.868 8.616 -13.867 1.00 31.20 C ATOM 0 H LEU A 20 2.347 8.259 -15.875 1.00 71.33 H new ATOM 0 HA LEU A 20 3.394 6.102 -14.164 1.00 52.24 H new ATOM 0 HB2 LEU A 20 5.023 7.353 -15.529 1.00 34.34 H new ATOM 0 HB3 LEU A 20 4.420 8.874 -14.902 1.00 34.34 H new ATOM 0 HG LEU A 20 5.186 8.196 -12.616 1.00 23.03 H new ATOM 0 HD11 LEU A 20 6.779 6.326 -12.404 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.162 5.771 -12.899 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.472 5.881 -14.099 1.00 45.00 H new ATOM 0 HD21 LEU A 20 7.592 8.564 -13.054 1.00 31.20 H new ATOM 0 HD22 LEU A 20 7.321 8.231 -14.781 1.00 31.20 H new ATOM 0 HD23 LEU A 20 6.568 9.653 -14.019 1.00 31.20 H new ATOM 280 N VAL A 21 2.792 7.086 -11.969 1.00 52.14 N ATOM 281 CA VAL A 21 2.444 7.619 -10.666 1.00 71.23 C ATOM 282 C VAL A 21 3.728 7.775 -9.859 1.00 12.22 C ATOM 283 O VAL A 21 4.711 7.079 -10.107 1.00 72.33 O ATOM 284 CB VAL A 21 1.449 6.689 -9.914 1.00 12.52 C ATOM 285 CG1 VAL A 21 1.029 7.287 -8.570 1.00 73.44 C ATOM 286 CG2 VAL A 21 0.226 6.394 -10.783 1.00 14.24 C ATOM 0 H VAL A 21 3.151 6.132 -11.947 1.00 52.14 H new ATOM 0 HA VAL A 21 1.950 8.582 -10.793 1.00 71.23 H new ATOM 0 HB VAL A 21 1.962 5.749 -9.710 1.00 12.52 H new ATOM 0 HG11 VAL A 21 0.334 6.611 -8.072 1.00 73.44 H new ATOM 0 HG12 VAL A 21 1.910 7.428 -7.943 1.00 73.44 H new ATOM 0 HG13 VAL A 21 0.544 8.249 -8.735 1.00 73.44 H new ATOM 0 HG21 VAL A 21 -0.458 5.742 -10.239 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -0.280 7.328 -11.028 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.543 5.901 -11.702 1.00 14.24 H new ATOM 296 N ASN A 22 3.741 8.700 -8.928 1.00 5.53 N ATOM 297 CA ASN A 22 4.897 8.910 -8.071 1.00 74.14 C ATOM 298 C ASN A 22 4.456 8.781 -6.624 1.00 13.30 C ATOM 299 O ASN A 22 3.333 9.159 -6.287 1.00 42.42 O ATOM 300 CB ASN A 22 5.527 10.286 -8.358 1.00 33.32 C ATOM 301 CG ASN A 22 6.709 10.615 -7.457 1.00 72.42 C ATOM 302 OD1 ASN A 22 7.311 9.734 -6.853 1.00 41.10 O ATOM 303 ND2 ASN A 22 7.064 11.890 -7.383 1.00 14.32 N ATOM 0 H ASN A 22 2.959 9.327 -8.739 1.00 5.53 H new ATOM 0 HA ASN A 22 5.662 8.159 -8.272 1.00 74.14 H new ATOM 0 HB2 ASN A 22 5.854 10.317 -9.397 1.00 33.32 H new ATOM 0 HB3 ASN A 22 4.765 11.057 -8.240 1.00 33.32 H new ATOM 0 HD21 ASN A 22 7.862 12.165 -6.810 1.00 14.32 H new ATOM 0 HD22 ASN A 22 6.540 12.596 -7.899 1.00 14.32 H new ATOM 310 N ASP A 23 5.319 8.235 -5.774 1.00 70.14 N ATOM 311 CA ASP A 23 4.968 8.018 -4.369 1.00 12.10 C ATOM 312 C ASP A 23 4.832 9.348 -3.642 1.00 71.41 C ATOM 313 O ASP A 23 4.383 9.402 -2.495 1.00 71.12 O ATOM 314 CB ASP A 23 5.975 7.088 -3.673 1.00 34.54 C ATOM 315 CG ASP A 23 5.764 5.617 -4.037 1.00 42.35 C ATOM 316 OD1 ASP A 23 4.750 5.298 -4.707 1.00 24.14 O ATOM 317 OD2 ASP A 23 6.593 4.773 -3.637 1.00 1.54 O ATOM 0 H ASP A 23 6.261 7.935 -6.027 1.00 70.14 H new ATOM 0 HA ASP A 23 4.001 7.517 -4.334 1.00 12.10 H new ATOM 0 HB2 ASP A 23 6.988 7.385 -3.946 1.00 34.54 H new ATOM 0 HB3 ASP A 23 5.888 7.208 -2.593 1.00 34.54 H new ATOM 322 N GLU A 24 5.206 10.419 -4.339 1.00 62.34 N ATOM 323 CA GLU A 24 4.914 11.788 -3.912 1.00 11.53 C ATOM 324 C GLU A 24 3.430 12.112 -4.169 1.00 61.53 C ATOM 325 O GLU A 24 2.976 13.234 -3.941 1.00 72.22 O ATOM 326 CB GLU A 24 5.818 12.770 -4.682 1.00 73.32 C ATOM 327 CG GLU A 24 5.728 14.217 -4.215 1.00 13.22 C ATOM 328 CD GLU A 24 6.443 15.172 -5.157 1.00 2.14 C ATOM 329 OE1 GLU A 24 7.690 15.184 -5.164 1.00 11.22 O ATOM 330 OE2 GLU A 24 5.757 15.899 -5.910 1.00 51.24 O ATOM 0 H GLU A 24 5.721 10.363 -5.218 1.00 62.34 H new ATOM 0 HA GLU A 24 5.111 11.886 -2.844 1.00 11.53 H new ATOM 0 HB2 GLU A 24 6.852 12.437 -4.593 1.00 73.32 H new ATOM 0 HB3 GLU A 24 5.560 12.727 -5.740 1.00 73.32 H new ATOM 0 HG2 GLU A 24 4.680 14.506 -4.134 1.00 13.22 H new ATOM 0 HG3 GLU A 24 6.160 14.302 -3.218 1.00 13.22 H new ATOM 337 N GLU A 25 2.689 11.099 -4.633 1.00 62.13 N ATOM 338 CA GLU A 25 1.261 11.211 -4.956 1.00 0.22 C ATOM 339 C GLU A 25 1.034 11.984 -6.260 1.00 61.13 C ATOM 340 O GLU A 25 -0.086 12.394 -6.558 1.00 70.13 O ATOM 341 CB GLU A 25 0.468 11.835 -3.794 1.00 4.34 C ATOM 342 CG GLU A 25 0.477 10.984 -2.528 1.00 45.50 C ATOM 343 CD GLU A 25 -0.255 11.644 -1.374 1.00 73.30 C ATOM 344 OE1 GLU A 25 0.354 12.488 -0.685 1.00 32.12 O ATOM 345 OE2 GLU A 25 -1.444 11.330 -1.152 1.00 62.44 O ATOM 0 H GLU A 25 3.069 10.167 -4.797 1.00 62.13 H new ATOM 0 HA GLU A 25 0.886 10.199 -5.107 1.00 0.22 H new ATOM 0 HB2 GLU A 25 0.884 12.816 -3.566 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -0.563 11.991 -4.110 1.00 4.34 H new ATOM 0 HG2 GLU A 25 0.017 10.019 -2.740 1.00 45.50 H new ATOM 0 HG3 GLU A 25 1.508 10.788 -2.234 1.00 45.50 H new ATOM 352 N GLN A 26 2.092 12.145 -7.050 1.00 10.22 N ATOM 353 CA GLN A 26 1.977 12.728 -8.387 1.00 54.01 C ATOM 354 C GLN A 26 1.398 11.682 -9.345 1.00 30.13 C ATOM 355 O GLN A 26 1.625 10.486 -9.170 1.00 21.03 O ATOM 356 CB GLN A 26 3.349 13.216 -8.886 1.00 31.13 C ATOM 357 CG GLN A 26 3.332 13.783 -10.306 1.00 12.34 C ATOM 358 CD GLN A 26 2.415 14.990 -10.452 1.00 24.51 C ATOM 359 OE1 GLN A 26 1.224 14.852 -10.743 1.00 3.34 O ATOM 360 NE2 GLN A 26 2.963 16.176 -10.257 1.00 4.44 N ATOM 0 H GLN A 26 3.041 11.880 -6.788 1.00 10.22 H new ATOM 0 HA GLN A 26 1.310 13.589 -8.347 1.00 54.01 H new ATOM 0 HB2 GLN A 26 3.720 13.982 -8.205 1.00 31.13 H new ATOM 0 HB3 GLN A 26 4.054 12.386 -8.846 1.00 31.13 H new ATOM 0 HG2 GLN A 26 4.345 14.067 -10.591 1.00 12.34 H new ATOM 0 HG3 GLN A 26 3.012 13.004 -10.999 1.00 12.34 H new ATOM 0 HE21 GLN A 26 3.952 16.248 -10.018 1.00 4.44 H new ATOM 0 HE22 GLN A 26 2.397 17.020 -10.346 1.00 4.44 H new ATOM 369 N HIS A 27 0.651 12.135 -10.348 1.00 62.23 N ATOM 370 CA HIS A 27 -0.008 11.239 -11.301 1.00 32.31 C ATOM 371 C HIS A 27 -0.160 11.919 -12.664 1.00 32.43 C ATOM 372 O HIS A 27 -0.881 12.912 -12.795 1.00 70.43 O ATOM 373 CB HIS A 27 -1.382 10.789 -10.758 1.00 4.31 C ATOM 374 CG HIS A 27 -2.249 11.910 -10.247 1.00 71.13 C ATOM 375 ND1 HIS A 27 -2.040 12.807 -9.251 1.00 63.43 N flip ATOM 376 CD2 HIS A 27 -3.504 12.192 -10.748 1.00 74.11 C flip ATOM 377 CE1 HIS A 27 -3.152 13.605 -9.173 1.00 60.13 C flip ATOM 378 NE2 HIS A 27 -4.020 13.214 -10.087 1.00 72.25 N flip ATOM 0 H HIS A 27 0.484 13.126 -10.525 1.00 62.23 H new ATOM 0 HA HIS A 27 0.616 10.354 -11.430 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -1.917 10.264 -11.549 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -1.223 10.073 -9.952 1.00 4.31 H new ATOM 0 HD2 HIS A 27 -3.989 11.661 -11.554 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -3.294 14.419 -8.478 1.00 60.13 H new ATOM 0 HE2 HIS A 27 -4.936 13.631 -10.255 1.00 72.25 H new ATOM 387 N SER A 28 0.533 11.384 -13.667 1.00 43.31 N ATOM 388 CA SER A 28 0.532 11.948 -15.017 1.00 70.43 C ATOM 389 C SER A 28 1.251 10.997 -15.975 1.00 3.04 C ATOM 390 O SER A 28 1.783 9.972 -15.554 1.00 45.11 O ATOM 391 CB SER A 28 1.224 13.323 -15.011 1.00 24.32 C ATOM 392 OG SER A 28 1.256 13.903 -16.305 1.00 33.21 O ATOM 0 H SER A 28 1.110 10.549 -13.568 1.00 43.31 H new ATOM 0 HA SER A 28 -0.497 12.076 -15.353 1.00 70.43 H new ATOM 0 HB2 SER A 28 0.700 13.990 -14.327 1.00 24.32 H new ATOM 0 HB3 SER A 28 2.242 13.216 -14.636 1.00 24.32 H new ATOM 0 HG SER A 28 1.701 14.775 -16.262 1.00 33.21 H new ATOM 398 N LEU A 29 1.258 11.328 -17.261 1.00 3.41 N ATOM 399 CA LEU A 29 1.994 10.538 -18.248 1.00 62.52 C ATOM 400 C LEU A 29 3.472 10.926 -18.211 1.00 23.32 C ATOM 401 O LEU A 29 3.823 12.007 -17.723 1.00 31.35 O ATOM 402 CB LEU A 29 1.423 10.718 -19.670 1.00 32.03 C ATOM 403 CG LEU A 29 1.611 12.106 -20.316 1.00 23.25 C ATOM 404 CD1 LEU A 29 1.292 12.047 -21.808 1.00 5.44 C ATOM 405 CD2 LEU A 29 0.740 13.161 -19.634 1.00 25.14 C ATOM 0 H LEU A 29 0.765 12.134 -17.646 1.00 3.41 H new ATOM 0 HA LEU A 29 1.886 9.484 -17.990 1.00 62.52 H new ATOM 0 HB2 LEU A 29 1.884 9.974 -20.320 1.00 32.03 H new ATOM 0 HB3 LEU A 29 0.356 10.497 -19.640 1.00 32.03 H new ATOM 0 HG LEU A 29 2.654 12.394 -20.186 1.00 23.25 H new ATOM 0 HD11 LEU A 29 1.430 13.034 -22.249 1.00 5.44 H new ATOM 0 HD12 LEU A 29 1.959 11.336 -22.295 1.00 5.44 H new ATOM 0 HD13 LEU A 29 0.259 11.728 -21.947 1.00 5.44 H new ATOM 0 HD21 LEU A 29 0.897 14.127 -20.113 1.00 25.14 H new ATOM 0 HD22 LEU A 29 -0.309 12.878 -19.721 1.00 25.14 H new ATOM 0 HD23 LEU A 29 1.011 13.231 -18.580 1.00 25.14 H new ATOM 417 N TRP A 30 4.332 10.054 -18.727 1.00 23.42 N ATOM 418 CA TRP A 30 5.776 10.258 -18.648 1.00 41.14 C ATOM 419 C TRP A 30 6.418 10.172 -20.033 1.00 34.24 C ATOM 420 O TRP A 30 6.125 9.257 -20.806 1.00 3.43 O ATOM 421 CB TRP A 30 6.402 9.224 -17.699 1.00 13.11 C ATOM 422 CG TRP A 30 6.164 7.795 -18.102 1.00 12.31 C ATOM 423 CD1 TRP A 30 4.997 7.091 -17.994 1.00 71.00 C ATOM 424 CD2 TRP A 30 7.123 6.893 -18.663 1.00 3.12 C ATOM 425 NE1 TRP A 30 5.170 5.813 -18.459 1.00 33.35 N ATOM 426 CE2 TRP A 30 6.469 5.666 -18.873 1.00 25.44 C ATOM 427 CE3 TRP A 30 8.470 7.007 -19.009 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.117 4.561 -19.414 1.00 51.20 C ATOM 429 CZ3 TRP A 30 9.113 5.908 -19.544 1.00 55.34 C ATOM 430 CH2 TRP A 30 8.437 4.699 -19.741 1.00 73.31 C ATOM 0 H TRP A 30 4.054 9.197 -19.206 1.00 23.42 H new ATOM 0 HA TRP A 30 5.962 11.257 -18.254 1.00 41.14 H new ATOM 0 HB2 TRP A 30 7.476 9.401 -17.645 1.00 13.11 H new ATOM 0 HB3 TRP A 30 6.003 9.379 -16.697 1.00 13.11 H new ATOM 0 HD1 TRP A 30 4.072 7.485 -17.599 1.00 71.00 H new ATOM 0 HE1 TRP A 30 4.451 5.090 -18.492 1.00 33.35 H new ATOM 0 HE3 TRP A 30 8.999 7.937 -18.861 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 6.596 3.628 -19.570 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 10.156 5.983 -19.815 1.00 55.34 H new ATOM 0 HH2 TRP A 30 8.969 3.858 -20.160 1.00 73.31 H new ATOM 441 N PRO A 31 7.293 11.137 -20.376 1.00 52.54 N ATOM 442 CA PRO A 31 8.006 11.131 -21.651 1.00 35.33 C ATOM 443 C PRO A 31 9.057 10.020 -21.702 1.00 43.41 C ATOM 444 O PRO A 31 10.099 10.107 -21.050 1.00 35.31 O ATOM 445 CB PRO A 31 8.675 12.521 -21.715 1.00 30.22 C ATOM 446 CG PRO A 31 8.057 13.311 -20.605 1.00 33.12 C ATOM 447 CD PRO A 31 7.654 12.308 -19.562 1.00 24.30 C ATOM 0 HA PRO A 31 7.339 10.943 -22.493 1.00 35.33 H new ATOM 0 HB2 PRO A 31 9.755 12.443 -21.588 1.00 30.22 H new ATOM 0 HB3 PRO A 31 8.501 12.997 -22.680 1.00 30.22 H new ATOM 0 HG2 PRO A 31 8.764 14.034 -20.199 1.00 33.12 H new ATOM 0 HG3 PRO A 31 7.194 13.874 -20.960 1.00 33.12 H new ATOM 0 HD2 PRO A 31 8.469 12.088 -18.873 1.00 24.30 H new ATOM 0 HD3 PRO A 31 6.815 12.660 -18.962 1.00 24.30 H new ATOM 455 N ALA A 32 8.774 8.976 -22.482 1.00 64.13 N ATOM 456 CA ALA A 32 9.686 7.836 -22.633 1.00 5.22 C ATOM 457 C ALA A 32 11.017 8.253 -23.265 1.00 54.03 C ATOM 458 O ALA A 32 11.965 7.468 -23.314 1.00 51.42 O ATOM 459 CB ALA A 32 9.018 6.742 -23.461 1.00 31.45 C ATOM 0 H ALA A 32 7.914 8.894 -23.024 1.00 64.13 H new ATOM 0 HA ALA A 32 9.908 7.449 -21.639 1.00 5.22 H new ATOM 0 HB1 ALA A 32 9.701 5.899 -23.569 1.00 31.45 H new ATOM 0 HB2 ALA A 32 8.109 6.410 -22.960 1.00 31.45 H new ATOM 0 HB3 ALA A 32 8.767 7.134 -24.447 1.00 31.45 H new ATOM 465 N PHE A 33 11.081 9.496 -23.741 1.00 65.24 N ATOM 466 CA PHE A 33 12.289 10.030 -24.367 1.00 41.30 C ATOM 467 C PHE A 33 13.282 10.506 -23.303 1.00 64.43 C ATOM 468 O PHE A 33 14.436 10.808 -23.609 1.00 54.03 O ATOM 469 CB PHE A 33 11.930 11.201 -25.295 1.00 70.23 C ATOM 470 CG PHE A 33 10.880 10.861 -26.325 1.00 14.54 C ATOM 471 CD1 PHE A 33 11.220 10.188 -27.490 1.00 21.21 C ATOM 472 CD2 PHE A 33 9.550 11.217 -26.127 1.00 34.35 C ATOM 473 CE1 PHE A 33 10.258 9.874 -28.432 1.00 25.54 C ATOM 474 CE2 PHE A 33 8.588 10.905 -27.067 1.00 3.51 C ATOM 475 CZ PHE A 33 8.942 10.234 -28.220 1.00 72.43 C ATOM 0 H PHE A 33 10.304 10.156 -23.704 1.00 65.24 H new ATOM 0 HA PHE A 33 12.752 9.234 -24.951 1.00 41.30 H new ATOM 0 HB2 PHE A 33 11.576 12.036 -24.691 1.00 70.23 H new ATOM 0 HB3 PHE A 33 12.832 11.537 -25.806 1.00 70.23 H new ATOM 0 HD1 PHE A 33 12.248 9.906 -27.663 1.00 21.21 H new ATOM 0 HD2 PHE A 33 9.267 11.744 -25.228 1.00 34.35 H new ATOM 0 HE1 PHE A 33 10.536 9.347 -29.333 1.00 25.54 H new ATOM 0 HE2 PHE A 33 7.559 11.186 -26.900 1.00 3.51 H new ATOM 0 HZ PHE A 33 8.190 9.991 -28.956 1.00 72.43 H new ATOM 485 N ALA A 34 12.821 10.573 -22.056 1.00 11.31 N ATOM 486 CA ALA A 34 13.643 11.046 -20.947 1.00 4.15 C ATOM 487 C ALA A 34 13.903 9.918 -19.953 1.00 15.35 C ATOM 488 O ALA A 34 13.260 8.864 -20.011 1.00 1.33 O ATOM 489 CB ALA A 34 12.963 12.224 -20.253 1.00 42.14 C ATOM 0 H ALA A 34 11.875 10.303 -21.788 1.00 11.31 H new ATOM 0 HA ALA A 34 14.602 11.380 -21.343 1.00 4.15 H new ATOM 0 HB1 ALA A 34 13.586 12.568 -19.427 1.00 42.14 H new ATOM 0 HB2 ALA A 34 12.825 13.036 -20.967 1.00 42.14 H new ATOM 0 HB3 ALA A 34 11.993 11.909 -19.869 1.00 42.14 H new ATOM 495 N ASP A 35 14.857 10.138 -19.059 1.00 65.10 N ATOM 496 CA ASP A 35 15.174 9.177 -18.007 1.00 21.44 C ATOM 497 C ASP A 35 14.208 9.352 -16.844 1.00 35.34 C ATOM 498 O ASP A 35 13.947 10.478 -16.414 1.00 10.32 O ATOM 499 CB ASP A 35 16.619 9.360 -17.520 1.00 10.33 C ATOM 500 CG ASP A 35 17.652 8.969 -18.566 1.00 71.31 C ATOM 501 OD1 ASP A 35 17.791 9.683 -19.580 1.00 62.15 O ATOM 502 OD2 ASP A 35 18.347 7.947 -18.374 1.00 74.13 O ATOM 0 H ASP A 35 15.431 10.981 -19.040 1.00 65.10 H new ATOM 0 HA ASP A 35 15.074 8.171 -18.414 1.00 21.44 H new ATOM 0 HB2 ASP A 35 16.772 10.401 -17.237 1.00 10.33 H new ATOM 0 HB3 ASP A 35 16.773 8.760 -16.623 1.00 10.33 H new ATOM 507 N VAL A 36 13.680 8.244 -16.335 1.00 51.02 N ATOM 508 CA VAL A 36 12.681 8.286 -15.269 1.00 14.20 C ATOM 509 C VAL A 36 13.363 8.116 -13.898 1.00 74.22 C ATOM 510 O VAL A 36 13.756 7.009 -13.525 1.00 4.35 O ATOM 511 CB VAL A 36 11.605 7.181 -15.466 1.00 52.15 C ATOM 512 CG1 VAL A 36 10.331 7.521 -14.699 1.00 54.14 C ATOM 513 CG2 VAL A 36 11.303 6.965 -16.949 1.00 3.12 C ATOM 0 H VAL A 36 13.927 7.303 -16.643 1.00 51.02 H new ATOM 0 HA VAL A 36 12.185 9.256 -15.308 1.00 14.20 H new ATOM 0 HB VAL A 36 12.006 6.250 -15.066 1.00 52.15 H new ATOM 0 HG11 VAL A 36 9.593 6.734 -14.852 1.00 54.14 H new ATOM 0 HG12 VAL A 36 10.558 7.604 -13.636 1.00 54.14 H new ATOM 0 HG13 VAL A 36 9.931 8.468 -15.060 1.00 54.14 H new ATOM 0 HG21 VAL A 36 10.547 6.187 -17.057 1.00 3.12 H new ATOM 0 HG22 VAL A 36 10.933 7.893 -17.384 1.00 3.12 H new ATOM 0 HG23 VAL A 36 12.213 6.661 -17.465 1.00 3.12 H new ATOM 523 N PRO A 37 13.513 9.216 -13.131 1.00 42.20 N ATOM 524 CA PRO A 37 14.256 9.211 -11.855 1.00 21.34 C ATOM 525 C PRO A 37 13.570 8.382 -10.762 1.00 1.14 C ATOM 526 O PRO A 37 12.501 8.752 -10.283 1.00 71.23 O ATOM 527 CB PRO A 37 14.297 10.693 -11.461 1.00 33.33 C ATOM 528 CG PRO A 37 13.128 11.306 -12.153 1.00 74.14 C ATOM 529 CD PRO A 37 12.965 10.549 -13.443 1.00 3.15 C ATOM 0 HA PRO A 37 15.239 8.754 -11.967 1.00 21.34 H new ATOM 0 HB2 PRO A 37 14.226 10.817 -10.380 1.00 33.33 H new ATOM 0 HB3 PRO A 37 15.231 11.160 -11.774 1.00 33.33 H new ATOM 0 HG2 PRO A 37 12.229 11.231 -11.541 1.00 74.14 H new ATOM 0 HG3 PRO A 37 13.298 12.366 -12.342 1.00 74.14 H new ATOM 0 HD2 PRO A 37 11.919 10.492 -13.746 1.00 3.15 H new ATOM 0 HD3 PRO A 37 13.508 11.025 -14.259 1.00 3.15 H new ATOM 537 N ALA A 38 14.231 7.291 -10.356 1.00 5.25 N ATOM 538 CA ALA A 38 13.678 6.303 -9.413 1.00 34.34 C ATOM 539 C ALA A 38 12.980 6.945 -8.207 1.00 32.33 C ATOM 540 O ALA A 38 13.329 8.050 -7.784 1.00 13.31 O ATOM 541 CB ALA A 38 14.782 5.364 -8.940 1.00 11.05 C ATOM 0 H ALA A 38 15.173 7.064 -10.674 1.00 5.25 H new ATOM 0 HA ALA A 38 12.915 5.743 -9.953 1.00 34.34 H new ATOM 0 HB1 ALA A 38 14.367 4.636 -8.243 1.00 11.05 H new ATOM 0 HB2 ALA A 38 15.209 4.843 -9.797 1.00 11.05 H new ATOM 0 HB3 ALA A 38 15.561 5.940 -8.441 1.00 11.05 H new ATOM 547 N GLY A 39 12.009 6.222 -7.647 1.00 34.21 N ATOM 548 CA GLY A 39 11.187 6.748 -6.566 1.00 13.01 C ATOM 549 C GLY A 39 9.741 6.912 -6.997 1.00 60.32 C ATOM 550 O GLY A 39 8.940 7.547 -6.309 1.00 53.32 O ATOM 0 H GLY A 39 11.775 5.270 -7.928 1.00 34.21 H new ATOM 0 HA2 GLY A 39 11.238 6.077 -5.709 1.00 13.01 H new ATOM 0 HA3 GLY A 39 11.583 7.710 -6.242 1.00 13.01 H new ATOM 554 N TRP A 40 9.415 6.324 -8.145 1.00 51.51 N ATOM 555 CA TRP A 40 8.069 6.386 -8.716 1.00 73.43 C ATOM 556 C TRP A 40 7.438 4.998 -8.771 1.00 13.52 C ATOM 557 O TRP A 40 7.998 4.023 -8.259 1.00 74.51 O ATOM 558 CB TRP A 40 8.130 6.987 -10.131 1.00 45.14 C ATOM 559 CG TRP A 40 9.309 6.499 -10.928 1.00 44.13 C ATOM 560 CD1 TRP A 40 10.441 7.201 -11.192 1.00 34.43 C ATOM 561 CD2 TRP A 40 9.485 5.211 -11.543 1.00 12.14 C ATOM 562 NE1 TRP A 40 11.320 6.438 -11.918 1.00 74.20 N ATOM 563 CE2 TRP A 40 10.755 5.213 -12.154 1.00 71.13 C ATOM 564 CE3 TRP A 40 8.700 4.058 -11.633 1.00 32.41 C ATOM 565 CZ2 TRP A 40 11.253 4.111 -12.845 1.00 14.53 C ATOM 566 CZ3 TRP A 40 9.195 2.966 -12.320 1.00 71.15 C ATOM 567 CH2 TRP A 40 10.462 2.998 -12.916 1.00 62.31 C ATOM 0 H TRP A 40 10.077 5.790 -8.708 1.00 51.51 H new ATOM 0 HA TRP A 40 7.453 7.020 -8.078 1.00 73.43 H new ATOM 0 HB2 TRP A 40 7.212 6.741 -10.664 1.00 45.14 H new ATOM 0 HB3 TRP A 40 8.174 8.074 -10.056 1.00 45.14 H new ATOM 0 HD1 TRP A 40 10.624 8.217 -10.875 1.00 34.43 H new ATOM 0 HE1 TRP A 40 12.244 6.735 -12.231 1.00 74.20 H new ATOM 0 HE3 TRP A 40 7.723 4.021 -11.173 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 12.228 4.135 -13.308 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 8.594 2.072 -12.399 1.00 71.15 H new ATOM 0 HH2 TRP A 40 10.821 2.126 -13.442 1.00 62.31 H new ATOM 578 N ARG A 41 6.280 4.926 -9.414 1.00 24.31 N ATOM 579 CA ARG A 41 5.551 3.680 -9.593 1.00 20.05 C ATOM 580 C ARG A 41 4.534 3.848 -10.729 1.00 55.23 C ATOM 581 O ARG A 41 3.709 4.757 -10.713 1.00 13.03 O ATOM 582 CB ARG A 41 4.879 3.299 -8.263 1.00 53.34 C ATOM 583 CG ARG A 41 3.925 2.112 -8.330 1.00 52.42 C ATOM 584 CD ARG A 41 3.774 1.438 -6.966 1.00 12.34 C ATOM 585 NE ARG A 41 3.756 2.403 -5.858 1.00 63.22 N ATOM 586 CZ ARG A 41 3.743 2.059 -4.567 1.00 44.45 C ATOM 587 NH1 ARG A 41 3.711 0.782 -4.209 1.00 42.12 N ATOM 588 NH2 ARG A 41 3.792 2.995 -3.630 1.00 31.14 N ATOM 0 H ARG A 41 5.818 5.736 -9.828 1.00 24.31 H new ATOM 0 HA ARG A 41 6.226 2.871 -9.872 1.00 20.05 H new ATOM 0 HB2 ARG A 41 5.657 3.078 -7.532 1.00 53.34 H new ATOM 0 HB3 ARG A 41 4.330 4.164 -7.892 1.00 53.34 H new ATOM 0 HG2 ARG A 41 2.949 2.447 -8.682 1.00 52.42 H new ATOM 0 HG3 ARG A 41 4.294 1.388 -9.056 1.00 52.42 H new ATOM 0 HD2 ARG A 41 2.852 0.857 -6.952 1.00 12.34 H new ATOM 0 HD3 ARG A 41 4.595 0.736 -6.819 1.00 12.34 H new ATOM 0 HE ARG A 41 3.753 3.397 -6.089 1.00 63.22 H new ATOM 0 HH11 ARG A 41 3.696 0.053 -4.922 1.00 42.12 H new ATOM 0 HH12 ARG A 41 3.701 0.529 -3.221 1.00 42.12 H new ATOM 0 HH21 ARG A 41 3.840 3.979 -3.894 1.00 31.14 H new ATOM 0 HH22 ARG A 41 3.782 2.731 -2.645 1.00 31.14 H new ATOM 602 N VAL A 42 4.591 2.962 -11.712 1.00 41.41 N ATOM 603 CA VAL A 42 3.803 3.118 -12.935 1.00 54.33 C ATOM 604 C VAL A 42 2.442 2.432 -12.803 1.00 41.04 C ATOM 605 O VAL A 42 2.314 1.423 -12.103 1.00 60.22 O ATOM 606 CB VAL A 42 4.555 2.527 -14.161 1.00 3.04 C ATOM 607 CG1 VAL A 42 3.914 2.982 -15.468 1.00 41.04 C ATOM 608 CG2 VAL A 42 6.036 2.906 -14.131 1.00 13.44 C ATOM 0 H VAL A 42 5.174 2.125 -11.691 1.00 41.41 H new ATOM 0 HA VAL A 42 3.652 4.187 -13.088 1.00 54.33 H new ATOM 0 HB VAL A 42 4.479 1.441 -14.104 1.00 3.04 H new ATOM 0 HG11 VAL A 42 4.460 2.554 -16.309 1.00 41.04 H new ATOM 0 HG12 VAL A 42 2.877 2.648 -15.500 1.00 41.04 H new ATOM 0 HG13 VAL A 42 3.947 4.070 -15.530 1.00 41.04 H new ATOM 0 HG21 VAL A 42 6.538 2.480 -14.999 1.00 13.44 H new ATOM 0 HG22 VAL A 42 6.134 3.991 -14.151 1.00 13.44 H new ATOM 0 HG23 VAL A 42 6.493 2.517 -13.221 1.00 13.44 H new ATOM 618 N VAL A 43 1.414 2.982 -13.462 1.00 12.04 N ATOM 619 CA VAL A 43 0.112 2.317 -13.506 1.00 4.12 C ATOM 620 C VAL A 43 0.019 1.461 -14.767 1.00 0.32 C ATOM 621 O VAL A 43 -0.577 0.385 -14.749 1.00 14.03 O ATOM 622 CB VAL A 43 -1.088 3.302 -13.433 1.00 51.33 C ATOM 623 CG1 VAL A 43 -1.230 4.114 -14.716 1.00 51.05 C ATOM 624 CG2 VAL A 43 -2.379 2.545 -13.117 1.00 73.33 C ATOM 0 H VAL A 43 1.459 3.870 -13.963 1.00 12.04 H new ATOM 0 HA VAL A 43 0.044 1.690 -12.617 1.00 4.12 H new ATOM 0 HB VAL A 43 -0.893 4.008 -12.626 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -2.080 4.791 -14.626 1.00 51.05 H new ATOM 0 HG12 VAL A 43 -0.321 4.692 -14.883 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -1.391 3.440 -15.557 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -3.211 3.248 -13.069 1.00 73.33 H new ATOM 0 HG22 VAL A 43 -2.570 1.810 -13.898 1.00 73.33 H new ATOM 0 HG23 VAL A 43 -2.278 2.037 -12.158 1.00 73.33 H new ATOM 634 N HIS A 44 0.640 1.936 -15.849 1.00 64.55 N ATOM 635 CA HIS A 44 0.768 1.167 -17.087 1.00 44.42 C ATOM 636 C HIS A 44 1.936 1.712 -17.905 1.00 73.35 C ATOM 637 O HIS A 44 2.054 2.930 -18.083 1.00 2.12 O ATOM 638 CB HIS A 44 -0.520 1.209 -17.923 1.00 33.41 C ATOM 639 CG HIS A 44 -0.503 0.238 -19.073 1.00 64.22 C ATOM 640 ND1 HIS A 44 0.121 0.498 -20.276 1.00 63.31 N ATOM 641 CD2 HIS A 44 -1.025 -1.007 -19.190 1.00 24.33 C ATOM 642 CE1 HIS A 44 -0.017 -0.540 -21.077 1.00 61.35 C ATOM 643 NE2 HIS A 44 -0.708 -1.467 -20.444 1.00 12.24 N ATOM 0 H HIS A 44 1.067 2.862 -15.891 1.00 64.55 H new ATOM 0 HA HIS A 44 0.952 0.126 -16.820 1.00 44.42 H new ATOM 0 HB2 HIS A 44 -1.372 0.988 -17.280 1.00 33.41 H new ATOM 0 HB3 HIS A 44 -0.665 2.218 -18.308 1.00 33.41 H new ATOM 0 HD1 HIS A 44 0.613 1.360 -20.510 1.00 63.31 H new ATOM 0 HD2 HIS A 44 -1.586 -1.539 -18.436 1.00 24.33 H new ATOM 0 HE1 HIS A 44 0.371 -0.618 -22.082 1.00 61.35 H new ATOM 652 N GLY A 45 2.793 0.808 -18.381 1.00 42.11 N ATOM 653 CA GLY A 45 4.004 1.193 -19.092 1.00 12.53 C ATOM 654 C GLY A 45 3.765 1.638 -20.524 1.00 61.03 C ATOM 655 O GLY A 45 2.616 1.820 -20.944 1.00 13.13 O ATOM 0 H GLY A 45 2.666 -0.199 -18.284 1.00 42.11 H new ATOM 0 HA2 GLY A 45 4.491 2.002 -18.548 1.00 12.53 H new ATOM 0 HA3 GLY A 45 4.695 0.350 -19.095 1.00 12.53 H new ATOM 659 N GLU A 46 4.871 1.766 -21.261 1.00 70.20 N ATOM 660 CA GLU A 46 4.912 2.368 -22.602 1.00 12.32 C ATOM 661 C GLU A 46 3.786 1.886 -23.521 1.00 41.42 C ATOM 662 O GLU A 46 3.250 0.783 -23.359 1.00 12.04 O ATOM 663 CB GLU A 46 6.266 2.098 -23.280 1.00 10.22 C ATOM 664 CG GLU A 46 7.478 2.561 -22.469 1.00 43.31 C ATOM 665 CD GLU A 46 8.137 1.441 -21.668 1.00 74.34 C ATOM 666 OE1 GLU A 46 7.411 0.664 -21.004 1.00 5.12 O ATOM 667 OE2 GLU A 46 9.383 1.341 -21.703 1.00 62.12 O ATOM 0 H GLU A 46 5.785 1.448 -20.938 1.00 70.20 H new ATOM 0 HA GLU A 46 4.773 3.438 -22.449 1.00 12.32 H new ATOM 0 HB2 GLU A 46 6.357 1.029 -23.470 1.00 10.22 H new ATOM 0 HB3 GLU A 46 6.280 2.596 -24.249 1.00 10.22 H new ATOM 0 HG2 GLU A 46 8.214 2.995 -23.146 1.00 43.31 H new ATOM 0 HG3 GLU A 46 7.168 3.352 -21.786 1.00 43.31 H new ATOM 674 N ALA A 47 3.446 2.722 -24.503 1.00 23.10 N ATOM 675 CA ALA A 47 2.348 2.440 -25.415 1.00 63.51 C ATOM 676 C ALA A 47 2.489 3.212 -26.724 1.00 73.41 C ATOM 677 O ALA A 47 3.239 4.185 -26.804 1.00 62.32 O ATOM 678 CB ALA A 47 1.041 2.796 -24.744 1.00 61.02 C ATOM 0 H ALA A 47 3.922 3.606 -24.684 1.00 23.10 H new ATOM 0 HA ALA A 47 2.368 1.377 -25.657 1.00 63.51 H new ATOM 0 HB1 ALA A 47 0.215 2.587 -25.423 1.00 61.02 H new ATOM 0 HB2 ALA A 47 0.924 2.203 -23.837 1.00 61.02 H new ATOM 0 HB3 ALA A 47 1.040 3.855 -24.488 1.00 61.02 H new ATOM 684 N ASP A 48 1.757 2.758 -27.740 1.00 43.44 N ATOM 685 CA ASP A 48 1.697 3.438 -29.032 1.00 51.31 C ATOM 686 C ASP A 48 0.714 4.606 -28.971 1.00 41.22 C ATOM 687 O ASP A 48 -0.099 4.701 -28.041 1.00 41.42 O ATOM 688 CB ASP A 48 1.259 2.462 -30.139 1.00 34.15 C ATOM 689 CG ASP A 48 2.229 1.304 -30.346 1.00 34.52 C ATOM 690 OD1 ASP A 48 2.180 0.331 -29.559 1.00 44.10 O ATOM 691 OD2 ASP A 48 3.030 1.358 -31.305 1.00 61.52 O ATOM 0 H ASP A 48 1.191 1.911 -27.691 1.00 43.44 H new ATOM 0 HA ASP A 48 2.694 3.814 -29.262 1.00 51.31 H new ATOM 0 HB2 ASP A 48 0.275 2.062 -29.892 1.00 34.15 H new ATOM 0 HB3 ASP A 48 1.154 3.010 -31.075 1.00 34.15 H new ATOM 696 N ARG A 49 0.771 5.479 -29.976 1.00 53.53 N ATOM 697 CA ARG A 49 -0.121 6.637 -30.058 1.00 35.31 C ATOM 698 C ARG A 49 -1.582 6.196 -29.956 1.00 63.41 C ATOM 699 O ARG A 49 -2.375 6.793 -29.222 1.00 64.05 O ATOM 700 CB ARG A 49 0.139 7.411 -31.369 1.00 64.50 C ATOM 701 CG ARG A 49 -0.671 8.708 -31.532 1.00 25.32 C ATOM 702 CD ARG A 49 -2.060 8.468 -32.121 1.00 61.13 C ATOM 703 NE ARG A 49 -1.989 7.930 -33.480 1.00 44.12 N ATOM 704 CZ ARG A 49 -2.877 7.086 -34.013 1.00 64.24 C ATOM 705 NH1 ARG A 49 -3.908 6.647 -33.299 1.00 24.55 N ATOM 706 NH2 ARG A 49 -2.733 6.687 -35.269 1.00 74.33 N ATOM 0 H ARG A 49 1.431 5.406 -30.751 1.00 53.53 H new ATOM 0 HA ARG A 49 0.084 7.304 -29.220 1.00 35.31 H new ATOM 0 HB2 ARG A 49 1.200 7.654 -31.425 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -0.082 6.754 -32.210 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -0.772 9.193 -30.561 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -0.122 9.395 -32.176 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -2.610 7.775 -31.484 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -2.618 9.404 -32.130 1.00 61.13 H new ATOM 0 HE ARG A 49 -1.204 8.221 -34.063 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -4.028 6.954 -32.334 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -4.580 6.003 -33.716 1.00 24.55 H new ATOM 0 HH21 ARG A 49 -1.947 7.024 -35.824 1.00 74.33 H new ATOM 0 HH22 ARG A 49 -3.409 6.043 -35.680 1.00 74.33 H new ATOM 720 N ALA A 50 -1.930 5.142 -30.689 1.00 72.03 N ATOM 721 CA ALA A 50 -3.289 4.608 -30.674 1.00 51.03 C ATOM 722 C ALA A 50 -3.707 4.234 -29.252 1.00 12.03 C ATOM 723 O ALA A 50 -4.804 4.547 -28.816 1.00 12.24 O ATOM 724 CB ALA A 50 -3.387 3.399 -31.598 1.00 12.12 C ATOM 0 H ALA A 50 -1.288 4.640 -31.302 1.00 72.03 H new ATOM 0 HA ALA A 50 -3.970 5.379 -31.034 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -4.404 3.008 -31.579 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -3.131 3.697 -32.615 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -2.696 2.627 -31.261 1.00 12.12 H new ATOM 730 N ALA A 51 -2.786 3.607 -28.536 1.00 52.32 N ATOM 731 CA ALA A 51 -3.006 3.135 -27.167 1.00 4.44 C ATOM 732 C ALA A 51 -3.198 4.308 -26.186 1.00 42.22 C ATOM 733 O ALA A 51 -3.972 4.232 -25.178 1.00 11.11 O ATOM 734 CB ALA A 51 -1.810 2.285 -26.789 1.00 13.05 C ATOM 0 H ALA A 51 -1.850 3.406 -28.889 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.923 2.548 -27.112 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.935 1.913 -25.772 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.730 1.443 -27.477 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.903 2.887 -26.846 1.00 13.05 H new ATOM 740 N CYS A 52 -2.468 5.384 -26.492 1.00 32.44 N ATOM 741 CA CYS A 52 -2.567 6.640 -25.766 1.00 51.42 C ATOM 742 C CYS A 52 -3.939 7.254 -25.986 1.00 23.32 C ATOM 743 O CYS A 52 -4.503 7.863 -25.082 1.00 3.22 O ATOM 744 CB CYS A 52 -1.456 7.598 -26.218 1.00 61.32 C ATOM 745 SG CYS A 52 -1.316 9.103 -25.227 1.00 33.32 S ATOM 0 H CYS A 52 -1.791 5.402 -27.254 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.441 6.453 -24.700 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -0.503 7.069 -26.189 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -1.634 7.877 -27.256 1.00 61.32 H new ATOM 0 HG CYS A 52 -0.350 9.839 -25.690 1.00 33.32 H new ATOM 751 N LEU A 53 -4.463 7.103 -27.199 1.00 43.35 N ATOM 752 CA LEU A 53 -5.843 7.476 -27.487 1.00 74.32 C ATOM 753 C LEU A 53 -6.803 6.487 -26.833 1.00 2.01 C ATOM 754 O LEU A 53 -7.823 6.886 -26.284 1.00 41.12 O ATOM 755 CB LEU A 53 -6.089 7.537 -28.999 1.00 44.01 C ATOM 756 CG LEU A 53 -5.275 8.598 -29.759 1.00 62.22 C ATOM 757 CD1 LEU A 53 -5.646 8.605 -31.239 1.00 70.12 C ATOM 758 CD2 LEU A 53 -5.478 9.982 -29.139 1.00 15.11 C ATOM 0 H LEU A 53 -3.953 6.725 -27.997 1.00 43.35 H new ATOM 0 HA LEU A 53 -6.023 8.468 -27.074 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -5.867 6.559 -29.426 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -7.149 7.726 -29.170 1.00 44.01 H new ATOM 0 HG LEU A 53 -4.219 8.342 -29.677 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -5.059 9.363 -31.758 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -5.438 7.626 -31.671 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -6.707 8.831 -31.347 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -4.893 10.718 -29.692 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -6.534 10.250 -29.184 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -5.152 9.966 -28.099 1.00 15.11 H new ATOM 770 N GLU A 54 -6.444 5.199 -26.874 1.00 54.41 N ATOM 771 CA GLU A 54 -7.288 4.120 -26.352 1.00 14.33 C ATOM 772 C GLU A 54 -7.543 4.292 -24.861 1.00 52.22 C ATOM 773 O GLU A 54 -8.557 3.812 -24.343 1.00 22.30 O ATOM 774 CB GLU A 54 -6.658 2.740 -26.635 1.00 0.25 C ATOM 775 CG GLU A 54 -7.378 1.938 -27.717 1.00 41.53 C ATOM 776 CD GLU A 54 -7.459 2.671 -29.045 1.00 73.12 C ATOM 777 OE1 GLU A 54 -6.506 2.573 -29.844 1.00 55.44 O ATOM 778 OE2 GLU A 54 -8.485 3.342 -29.303 1.00 65.32 O ATOM 0 H GLU A 54 -5.561 4.876 -27.270 1.00 54.41 H new ATOM 0 HA GLU A 54 -8.246 4.173 -26.868 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -5.619 2.881 -26.933 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -6.650 2.160 -25.712 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -6.861 0.990 -27.863 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -8.386 1.702 -27.376 1.00 41.53 H new ATOM 785 N TYR A 55 -6.627 4.987 -24.177 1.00 63.34 N ATOM 786 CA TYR A 55 -6.861 5.388 -22.774 1.00 53.30 C ATOM 787 C TYR A 55 -8.274 5.972 -22.586 1.00 12.43 C ATOM 788 O TYR A 55 -8.817 5.947 -21.479 1.00 25.40 O ATOM 789 CB TYR A 55 -5.815 6.440 -22.320 1.00 54.33 C ATOM 790 CG TYR A 55 -6.334 7.868 -22.232 1.00 33.53 C ATOM 791 CD1 TYR A 55 -6.608 8.604 -23.378 1.00 54.33 C ATOM 792 CD2 TYR A 55 -6.569 8.465 -20.997 1.00 42.04 C ATOM 793 CE1 TYR A 55 -7.100 9.889 -23.300 1.00 14.43 C ATOM 794 CE2 TYR A 55 -7.067 9.749 -20.911 1.00 5.14 C ATOM 795 CZ TYR A 55 -7.330 10.456 -22.064 1.00 71.24 C ATOM 796 OH TYR A 55 -7.842 11.730 -21.983 1.00 1.32 O ATOM 0 H TYR A 55 -5.729 5.282 -24.559 1.00 63.34 H new ATOM 0 HA TYR A 55 -6.764 4.490 -22.163 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -5.430 6.149 -21.343 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -4.975 6.417 -23.014 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -6.432 8.161 -24.347 1.00 54.33 H new ATOM 0 HD2 TYR A 55 -6.358 7.915 -20.092 1.00 42.04 H new ATOM 0 HE1 TYR A 55 -7.304 10.448 -24.201 1.00 14.43 H new ATOM 0 HE2 TYR A 55 -7.250 10.197 -19.946 1.00 5.14 H new ATOM 0 HH TYR A 55 -7.946 11.982 -21.042 1.00 1.32 H new ATOM 806 N ILE A 56 -8.858 6.505 -23.660 1.00 72.14 N ATOM 807 CA ILE A 56 -10.213 7.049 -23.606 1.00 54.34 C ATOM 808 C ILE A 56 -11.218 5.938 -23.307 1.00 35.30 C ATOM 809 O ILE A 56 -12.053 6.060 -22.408 1.00 14.25 O ATOM 810 CB ILE A 56 -10.598 7.763 -24.937 1.00 50.34 C ATOM 811 CG1 ILE A 56 -11.943 8.484 -24.798 1.00 13.53 C ATOM 812 CG2 ILE A 56 -10.654 6.780 -26.110 1.00 54.41 C ATOM 813 CD1 ILE A 56 -12.313 9.291 -26.024 1.00 32.34 C ATOM 0 H ILE A 56 -8.414 6.571 -24.576 1.00 72.14 H new ATOM 0 HA ILE A 56 -10.239 7.788 -22.805 1.00 54.34 H new ATOM 0 HB ILE A 56 -9.820 8.497 -25.145 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -12.724 7.749 -24.605 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -11.906 9.145 -23.932 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -10.925 7.315 -27.020 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -9.678 6.314 -26.241 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -11.399 6.011 -25.905 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -13.275 9.777 -25.863 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -11.550 10.048 -26.205 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -12.381 8.630 -26.888 1.00 32.34 H new ATOM 825 N GLU A 57 -11.106 4.854 -24.062 1.00 31.32 N ATOM 826 CA GLU A 57 -12.029 3.737 -23.979 1.00 13.01 C ATOM 827 C GLU A 57 -11.788 2.921 -22.716 1.00 51.21 C ATOM 828 O GLU A 57 -12.731 2.501 -22.042 1.00 71.31 O ATOM 829 CB GLU A 57 -11.883 2.858 -25.225 1.00 52.35 C ATOM 830 CG GLU A 57 -12.938 1.762 -25.335 1.00 14.33 C ATOM 831 CD GLU A 57 -14.341 2.327 -25.465 1.00 72.01 C ATOM 832 OE1 GLU A 57 -14.777 2.586 -26.604 1.00 53.13 O ATOM 833 OE2 GLU A 57 -15.013 2.525 -24.430 1.00 43.21 O ATOM 0 H GLU A 57 -10.367 4.727 -24.753 1.00 31.32 H new ATOM 0 HA GLU A 57 -13.046 4.126 -23.932 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -11.936 3.490 -26.112 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.895 2.398 -25.220 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -12.719 1.135 -26.199 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -12.886 1.121 -24.455 1.00 14.33 H new ATOM 840 N GLU A 58 -10.519 2.689 -22.405 1.00 12.22 N ATOM 841 CA GLU A 58 -10.157 1.866 -21.260 1.00 60.15 C ATOM 842 C GLU A 58 -10.287 2.648 -19.951 1.00 33.10 C ATOM 843 O GLU A 58 -10.741 2.099 -18.947 1.00 31.32 O ATOM 844 CB GLU A 58 -8.751 1.299 -21.442 1.00 74.11 C ATOM 845 CG GLU A 58 -7.682 2.349 -21.496 1.00 63.14 C ATOM 846 CD GLU A 58 -6.326 1.795 -21.915 1.00 0.13 C ATOM 847 OE1 GLU A 58 -5.964 0.688 -21.455 1.00 52.44 O ATOM 848 OE2 GLU A 58 -5.628 2.458 -22.706 1.00 74.42 O ATOM 0 H GLU A 58 -9.725 3.058 -22.929 1.00 12.22 H new ATOM 0 HA GLU A 58 -10.854 1.030 -21.200 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -8.535 0.615 -20.621 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -8.721 0.714 -22.361 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -7.982 3.129 -22.195 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -7.590 2.817 -20.516 1.00 63.14 H new ATOM 855 N HIS A 59 -9.918 3.936 -19.993 1.00 11.51 N ATOM 856 CA HIS A 59 -9.991 4.848 -18.836 1.00 45.14 C ATOM 857 C HIS A 59 -9.649 4.144 -17.520 1.00 52.43 C ATOM 858 O HIS A 59 -10.534 3.846 -16.715 1.00 13.30 O ATOM 859 CB HIS A 59 -11.365 5.551 -18.751 1.00 40.10 C ATOM 860 CG HIS A 59 -12.554 4.634 -18.832 1.00 63.15 C ATOM 861 ND1 HIS A 59 -12.929 3.780 -17.816 1.00 32.20 N ATOM 862 CD2 HIS A 59 -13.449 4.437 -19.830 1.00 71.52 C ATOM 863 CE1 HIS A 59 -13.996 3.098 -18.185 1.00 40.20 C ATOM 864 NE2 HIS A 59 -14.333 3.479 -19.403 1.00 25.42 N ATOM 0 H HIS A 59 -9.557 4.381 -20.837 1.00 11.51 H new ATOM 0 HA HIS A 59 -9.233 5.615 -18.996 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -11.415 6.105 -17.814 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -11.433 6.282 -19.557 1.00 40.10 H new ATOM 0 HD1 HIS A 59 -12.454 3.690 -16.918 1.00 32.20 H new ATOM 0 HD2 HIS A 59 -13.464 4.941 -20.785 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -14.507 2.354 -17.592 1.00 40.20 H new ATOM 873 N TRP A 60 -8.356 3.887 -17.317 1.00 72.13 N ATOM 874 CA TRP A 60 -7.879 3.138 -16.153 1.00 71.34 C ATOM 875 C TRP A 60 -8.503 1.736 -16.146 1.00 40.15 C ATOM 876 O TRP A 60 -9.505 1.489 -15.468 1.00 70.12 O ATOM 877 CB TRP A 60 -8.182 3.894 -14.841 1.00 31.04 C ATOM 878 CG TRP A 60 -7.421 5.189 -14.703 1.00 11.01 C ATOM 879 CD1 TRP A 60 -7.633 6.349 -15.398 1.00 44.10 C ATOM 880 CD2 TRP A 60 -6.328 5.453 -13.812 1.00 62.15 C ATOM 881 NE1 TRP A 60 -6.736 7.309 -14.998 1.00 64.53 N ATOM 882 CE2 TRP A 60 -5.923 6.784 -14.026 1.00 60.21 C ATOM 883 CE3 TRP A 60 -5.650 4.690 -12.856 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -4.875 7.369 -13.319 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -4.610 5.272 -12.153 1.00 24.12 C ATOM 886 CH2 TRP A 60 -4.229 6.598 -12.390 1.00 3.21 C ATOM 0 H TRP A 60 -7.615 4.189 -17.949 1.00 72.13 H new ATOM 0 HA TRP A 60 -6.796 3.036 -16.222 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -9.251 4.103 -14.790 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -7.942 3.249 -13.996 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -8.394 6.489 -16.151 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -6.683 8.259 -15.365 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -5.933 3.665 -12.670 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -4.583 8.393 -13.497 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -4.083 4.693 -11.409 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -3.409 7.021 -11.829 1.00 3.21 H new ATOM 897 N PRO A 61 -7.927 0.811 -16.940 1.00 53.15 N ATOM 898 CA PRO A 61 -8.478 -0.538 -17.127 1.00 60.42 C ATOM 899 C PRO A 61 -8.128 -1.494 -15.986 1.00 63.32 C ATOM 900 O PRO A 61 -7.395 -1.140 -15.057 1.00 74.04 O ATOM 901 CB PRO A 61 -7.805 -0.987 -18.425 1.00 23.13 C ATOM 902 CG PRO A 61 -6.463 -0.340 -18.374 1.00 54.12 C ATOM 903 CD PRO A 61 -6.681 1.003 -17.718 1.00 12.01 C ATOM 0 HA PRO A 61 -9.568 -0.537 -17.153 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -7.724 -2.073 -18.478 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -8.370 -0.666 -19.300 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -5.758 -0.945 -17.803 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -6.046 -0.224 -19.374 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -5.844 1.276 -17.075 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -6.788 1.798 -18.456 1.00 12.01 H new ATOM 911 N ASP A 62 -8.654 -2.716 -16.080 1.00 32.11 N ATOM 912 CA ASP A 62 -8.376 -3.768 -15.103 1.00 14.31 C ATOM 913 C ASP A 62 -7.049 -4.454 -15.415 1.00 34.34 C ATOM 914 O ASP A 62 -6.545 -4.374 -16.541 1.00 74.44 O ATOM 915 CB ASP A 62 -9.511 -4.810 -15.096 1.00 44.51 C ATOM 916 CG ASP A 62 -9.235 -5.971 -14.149 1.00 24.42 C ATOM 917 OD1 ASP A 62 -9.063 -5.719 -12.943 1.00 14.01 O ATOM 918 OD2 ASP A 62 -9.181 -7.132 -14.608 1.00 61.41 O ATOM 0 H ASP A 62 -9.281 -3.003 -16.831 1.00 32.11 H new ATOM 0 HA ASP A 62 -8.311 -3.307 -14.118 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -10.443 -4.324 -14.807 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -9.652 -5.195 -16.106 1.00 44.51 H new ATOM 923 N ILE A 63 -6.492 -5.131 -14.417 1.00 0.00 N ATOM 924 CA ILE A 63 -5.256 -5.874 -14.588 1.00 44.50 C ATOM 925 C ILE A 63 -5.552 -7.142 -15.388 1.00 32.32 C ATOM 926 O ILE A 63 -5.839 -8.205 -14.832 1.00 13.12 O ATOM 927 CB ILE A 63 -4.584 -6.225 -13.228 1.00 41.40 C ATOM 928 CG1 ILE A 63 -4.241 -4.948 -12.425 1.00 23.02 C ATOM 929 CG2 ILE A 63 -3.319 -7.055 -13.453 1.00 3.52 C ATOM 930 CD1 ILE A 63 -5.443 -4.186 -11.892 1.00 43.03 C ATOM 0 H ILE A 63 -6.883 -5.178 -13.476 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.548 -5.246 -15.128 1.00 44.50 H new ATOM 0 HB ILE A 63 -5.297 -6.812 -12.649 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -3.603 -5.224 -11.586 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -3.659 -4.281 -13.062 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -2.863 -7.291 -12.492 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -3.578 -7.980 -13.969 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -2.614 -6.486 -14.059 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -5.103 -3.308 -11.344 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -6.073 -3.873 -12.724 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -6.016 -4.831 -11.225 1.00 43.03 H new ATOM 942 N ARG A 64 -5.522 -6.986 -16.707 1.00 63.13 N ATOM 943 CA ARG A 64 -5.919 -8.034 -17.648 1.00 42.30 C ATOM 944 C ARG A 64 -5.082 -9.303 -17.473 1.00 24.20 C ATOM 945 O ARG A 64 -3.929 -9.232 -17.049 1.00 71.42 O ATOM 946 CB ARG A 64 -5.796 -7.499 -19.080 1.00 5.01 C ATOM 947 CG ARG A 64 -6.538 -6.184 -19.288 1.00 72.23 C ATOM 948 CD ARG A 64 -6.282 -5.596 -20.665 1.00 23.51 C ATOM 949 NE ARG A 64 -6.714 -4.198 -20.742 1.00 24.12 N ATOM 950 CZ ARG A 64 -5.987 -3.228 -21.297 1.00 51.34 C ATOM 951 NH1 ARG A 64 -4.803 -3.507 -21.826 1.00 21.41 N ATOM 952 NH2 ARG A 64 -6.441 -1.980 -21.315 1.00 1.45 N ATOM 0 H ARG A 64 -5.220 -6.123 -17.159 1.00 63.13 H new ATOM 0 HA ARG A 64 -6.955 -8.306 -17.445 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -4.742 -7.358 -19.320 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -6.184 -8.243 -19.775 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -7.608 -6.347 -19.157 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -6.229 -5.469 -18.526 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -5.219 -5.663 -20.898 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -6.811 -6.183 -21.416 1.00 23.51 H new ATOM 0 HE ARG A 64 -7.623 -3.953 -20.349 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -4.449 -4.463 -21.808 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -4.247 -2.765 -22.251 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -7.348 -1.761 -20.903 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -5.882 -1.240 -21.740 1.00 1.45 H new ATOM 966 N PRO A 65 -5.658 -10.479 -17.824 1.00 13.42 N ATOM 967 CA PRO A 65 -5.018 -11.791 -17.630 1.00 21.15 C ATOM 968 C PRO A 65 -3.525 -11.818 -17.973 1.00 52.11 C ATOM 969 O PRO A 65 -2.713 -12.306 -17.191 1.00 62.12 O ATOM 970 CB PRO A 65 -5.808 -12.695 -18.580 1.00 31.52 C ATOM 971 CG PRO A 65 -7.181 -12.114 -18.580 1.00 32.30 C ATOM 972 CD PRO A 65 -7.007 -10.622 -18.426 1.00 31.11 C ATOM 0 HA PRO A 65 -5.044 -12.094 -16.583 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -5.376 -12.696 -19.581 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -5.813 -13.729 -18.234 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -7.704 -12.351 -19.506 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -7.777 -12.523 -17.764 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -7.072 -10.111 -19.387 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -7.778 -10.194 -17.785 1.00 31.11 H new ATOM 980 N LYS A 66 -3.166 -11.289 -19.137 1.00 32.35 N ATOM 981 CA LYS A 66 -1.780 -11.342 -19.597 1.00 12.54 C ATOM 982 C LYS A 66 -0.912 -10.328 -18.859 1.00 64.54 C ATOM 983 O LYS A 66 0.297 -10.519 -18.714 1.00 64.34 O ATOM 984 CB LYS A 66 -1.705 -11.112 -21.112 1.00 13.42 C ATOM 985 CG LYS A 66 -2.451 -12.165 -21.929 1.00 20.12 C ATOM 986 CD LYS A 66 -2.062 -13.589 -21.531 1.00 14.20 C ATOM 987 CE LYS A 66 -0.574 -13.852 -21.716 1.00 34.20 C ATOM 988 NZ LYS A 66 -0.185 -15.180 -21.183 1.00 63.22 N ATOM 0 H LYS A 66 -3.809 -10.821 -19.777 1.00 32.35 H new ATOM 0 HA LYS A 66 -1.394 -12.337 -19.376 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -2.115 -10.129 -21.342 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -0.659 -11.101 -21.418 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -3.525 -12.033 -21.795 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -2.241 -12.016 -22.988 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -2.333 -13.760 -20.489 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -2.632 -14.300 -22.129 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -0.323 -13.796 -22.775 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -0.001 -13.074 -21.211 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 0.835 -15.326 -21.326 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -0.402 -15.223 -20.167 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -0.714 -15.923 -21.682 1.00 63.22 H new ATOM 1002 N SER A 67 -1.539 -9.263 -18.375 1.00 62.31 N ATOM 1003 CA SER A 67 -0.838 -8.233 -17.617 1.00 54.23 C ATOM 1004 C SER A 67 -0.991 -8.500 -16.118 1.00 53.41 C ATOM 1005 O SER A 67 -0.687 -7.638 -15.287 1.00 22.22 O ATOM 1006 CB SER A 67 -1.383 -6.840 -17.986 1.00 60.21 C ATOM 1007 OG SER A 67 -0.609 -5.801 -17.400 1.00 72.44 O ATOM 0 H SER A 67 -2.537 -9.089 -18.495 1.00 62.31 H new ATOM 0 HA SER A 67 0.223 -8.260 -17.867 1.00 54.23 H new ATOM 0 HB2 SER A 67 -1.385 -6.725 -19.070 1.00 60.21 H new ATOM 0 HB3 SER A 67 -2.418 -6.754 -17.654 1.00 60.21 H new ATOM 0 HG SER A 67 -0.351 -6.059 -16.490 1.00 72.44 H new ATOM 1013 N LEU A 68 -1.459 -9.705 -15.780 1.00 64.11 N ATOM 1014 CA LEU A 68 -1.651 -10.096 -14.391 1.00 43.11 C ATOM 1015 C LEU A 68 -0.298 -10.162 -13.694 1.00 71.30 C ATOM 1016 O LEU A 68 0.399 -11.177 -13.738 1.00 53.54 O ATOM 1017 CB LEU A 68 -2.401 -11.444 -14.295 1.00 3.52 C ATOM 1018 CG LEU A 68 -3.047 -11.781 -12.927 1.00 74.14 C ATOM 1019 CD1 LEU A 68 -1.996 -12.112 -11.869 1.00 65.05 C ATOM 1020 CD2 LEU A 68 -3.937 -10.631 -12.461 1.00 63.42 C ATOM 0 H LEU A 68 -1.711 -10.425 -16.457 1.00 64.11 H new ATOM 0 HA LEU A 68 -2.268 -9.350 -13.890 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -3.184 -11.453 -15.053 1.00 3.52 H new ATOM 0 HB3 LEU A 68 -1.703 -12.242 -14.548 1.00 3.52 H new ATOM 0 HG LEU A 68 -3.663 -12.670 -13.063 1.00 74.14 H new ATOM 0 HD11 LEU A 68 -2.490 -12.342 -10.925 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -1.412 -12.974 -12.193 1.00 65.05 H new ATOM 0 HD13 LEU A 68 -1.335 -11.256 -11.733 1.00 65.05 H new ATOM 0 HD21 LEU A 68 -4.383 -10.883 -11.499 1.00 63.42 H new ATOM 0 HD22 LEU A 68 -3.338 -9.726 -12.357 1.00 63.42 H new ATOM 0 HD23 LEU A 68 -4.726 -10.462 -13.194 1.00 63.42 H new ATOM 1032 N ARG A 69 0.087 -9.041 -13.111 1.00 72.54 N ATOM 1033 CA ARG A 69 1.322 -8.930 -12.348 1.00 51.11 C ATOM 1034 C ARG A 69 1.029 -8.208 -11.038 1.00 31.31 C ATOM 1035 O ARG A 69 1.885 -7.509 -10.492 1.00 25.43 O ATOM 1036 CB ARG A 69 2.369 -8.164 -13.167 1.00 23.24 C ATOM 1037 CG ARG A 69 2.779 -8.843 -14.477 1.00 3.32 C ATOM 1038 CD ARG A 69 3.816 -9.947 -14.268 1.00 63.15 C ATOM 1039 NE ARG A 69 3.333 -11.042 -13.421 1.00 63.40 N ATOM 1040 CZ ARG A 69 4.122 -12.000 -12.922 1.00 21.44 C ATOM 1041 NH1 ARG A 69 5.417 -12.023 -13.215 1.00 44.15 N ATOM 1042 NH2 ARG A 69 3.611 -12.941 -12.144 1.00 11.13 N ATOM 0 H ARG A 69 -0.450 -8.175 -13.153 1.00 72.54 H new ATOM 0 HA ARG A 69 1.718 -9.922 -12.129 1.00 51.11 H new ATOM 0 HB2 ARG A 69 1.978 -7.172 -13.395 1.00 23.24 H new ATOM 0 HB3 ARG A 69 3.258 -8.023 -12.553 1.00 23.24 H new ATOM 0 HG2 ARG A 69 1.895 -9.266 -14.955 1.00 3.32 H new ATOM 0 HG3 ARG A 69 3.183 -8.095 -15.159 1.00 3.32 H new ATOM 0 HD2 ARG A 69 4.109 -10.349 -15.238 1.00 63.15 H new ATOM 0 HD3 ARG A 69 4.710 -9.516 -13.818 1.00 63.15 H new ATOM 0 HE ARG A 69 2.338 -11.075 -13.199 1.00 63.40 H new ATOM 0 HH11 ARG A 69 5.815 -11.308 -13.824 1.00 44.15 H new ATOM 0 HH12 ARG A 69 6.014 -12.756 -12.832 1.00 44.15 H new ATOM 0 HH21 ARG A 69 2.615 -12.936 -11.925 1.00 11.13 H new ATOM 0 HH22 ARG A 69 4.213 -13.671 -11.764 1.00 11.13 H new ATOM 1056 N ASP A 70 -0.205 -8.392 -10.552 1.00 3.11 N ATOM 1057 CA ASP A 70 -0.675 -7.758 -9.317 1.00 55.45 C ATOM 1058 C ASP A 70 -0.505 -6.245 -9.400 1.00 61.12 C ATOM 1059 O ASP A 70 0.009 -5.606 -8.484 1.00 62.15 O ATOM 1060 CB ASP A 70 0.054 -8.342 -8.096 1.00 35.03 C ATOM 1061 CG ASP A 70 -0.219 -9.829 -7.921 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -1.242 -10.184 -7.294 1.00 32.01 O ATOM 1063 OD2 ASP A 70 0.577 -10.651 -8.424 1.00 72.12 O ATOM 0 H ASP A 70 -0.903 -8.983 -11.003 1.00 3.11 H new ATOM 0 HA ASP A 70 -1.738 -7.969 -9.196 1.00 55.45 H new ATOM 0 HB2 ASP A 70 1.127 -8.181 -8.204 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -0.259 -7.809 -7.198 1.00 35.03 H new ATOM 1068 N LYS A 71 -0.985 -5.699 -10.518 1.00 32.23 N ATOM 1069 CA LYS A 71 -0.919 -4.287 -10.865 1.00 5.13 C ATOM 1070 C LYS A 71 0.528 -3.742 -10.965 1.00 53.24 C ATOM 1071 O LYS A 71 0.823 -2.937 -11.851 1.00 70.21 O ATOM 1072 CB LYS A 71 -1.732 -3.494 -9.839 1.00 1.23 C ATOM 1073 CG LYS A 71 -2.515 -2.283 -10.384 1.00 12.31 C ATOM 1074 CD LYS A 71 -1.721 -1.435 -11.379 1.00 64.40 C ATOM 1075 CE LYS A 71 -0.569 -0.673 -10.730 1.00 71.42 C ATOM 1076 NZ LYS A 71 0.472 -0.328 -11.735 1.00 55.15 N ATOM 0 H LYS A 71 -1.450 -6.257 -11.235 1.00 32.23 H new ATOM 0 HA LYS A 71 -1.341 -4.169 -11.863 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -2.439 -4.173 -9.362 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -1.054 -3.142 -9.061 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -3.425 -2.638 -10.868 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -2.822 -1.654 -9.548 1.00 12.31 H new ATOM 0 HD2 LYS A 71 -1.326 -2.081 -12.163 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -2.394 -0.725 -11.860 1.00 64.40 H new ATOM 0 HE2 LYS A 71 -0.946 0.237 -10.264 1.00 71.42 H new ATOM 0 HE3 LYS A 71 -0.129 -1.278 -9.937 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 1.013 0.497 -11.405 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 1.114 -1.136 -11.861 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 0.017 -0.103 -12.643 1.00 55.15 H new ATOM 1090 N LEU A 72 1.425 -4.197 -10.096 1.00 31.23 N ATOM 1091 CA LEU A 72 2.700 -3.527 -9.864 1.00 75.41 C ATOM 1092 C LEU A 72 3.547 -3.485 -11.131 1.00 62.01 C ATOM 1093 O LEU A 72 4.167 -2.468 -11.442 1.00 24.31 O ATOM 1094 CB LEU A 72 3.460 -4.236 -8.730 1.00 44.43 C ATOM 1095 CG LEU A 72 4.784 -3.579 -8.301 1.00 35.43 C ATOM 1096 CD1 LEU A 72 4.542 -2.162 -7.780 1.00 41.32 C ATOM 1097 CD2 LEU A 72 5.494 -4.430 -7.245 1.00 22.35 C ATOM 0 H LEU A 72 1.289 -5.038 -9.534 1.00 31.23 H new ATOM 0 HA LEU A 72 2.497 -2.497 -9.572 1.00 75.41 H new ATOM 0 HB2 LEU A 72 2.806 -4.294 -7.860 1.00 44.43 H new ATOM 0 HB3 LEU A 72 3.668 -5.260 -9.041 1.00 44.43 H new ATOM 0 HG LEU A 72 5.430 -3.514 -9.177 1.00 35.43 H new ATOM 0 HD11 LEU A 72 5.491 -1.717 -7.482 1.00 41.32 H new ATOM 0 HD12 LEU A 72 4.088 -1.558 -8.566 1.00 41.32 H new ATOM 0 HD13 LEU A 72 3.874 -2.200 -6.920 1.00 41.32 H new ATOM 0 HD21 LEU A 72 6.428 -3.947 -6.956 1.00 22.35 H new ATOM 0 HD22 LEU A 72 4.853 -4.533 -6.370 1.00 22.35 H new ATOM 0 HD23 LEU A 72 5.708 -5.416 -7.656 1.00 22.35 H new ATOM 1109 N ALA A 73 3.542 -4.585 -11.868 1.00 21.05 N ATOM 1110 CA ALA A 73 4.351 -4.710 -13.069 1.00 32.42 C ATOM 1111 C ALA A 73 3.475 -4.656 -14.320 1.00 24.44 C ATOM 1112 O ALA A 73 2.487 -5.386 -14.424 1.00 3.22 O ATOM 1113 CB ALA A 73 5.137 -6.011 -13.012 1.00 13.24 C ATOM 0 H ALA A 73 2.982 -5.410 -11.652 1.00 21.05 H new ATOM 0 HA ALA A 73 5.049 -3.874 -13.120 1.00 32.42 H new ATOM 0 HB1 ALA A 73 5.745 -6.108 -13.911 1.00 13.24 H new ATOM 0 HB2 ALA A 73 5.784 -6.007 -12.135 1.00 13.24 H new ATOM 0 HB3 ALA A 73 4.446 -6.851 -12.949 1.00 13.24 H new ATOM 1119 N THR A 74 3.835 -3.771 -15.246 1.00 10.11 N ATOM 1120 CA THR A 74 3.124 -3.622 -16.512 1.00 74.24 C ATOM 1121 C THR A 74 3.840 -2.593 -17.396 1.00 61.13 C ATOM 1122 O THR A 74 3.760 -1.385 -17.158 1.00 15.44 O ATOM 1123 CB THR A 74 1.634 -3.220 -16.296 1.00 41.53 C ATOM 1124 OG1 THR A 74 0.987 -2.975 -17.557 1.00 14.22 O ATOM 1125 CG2 THR A 74 1.504 -1.991 -15.398 1.00 11.04 C ATOM 0 H THR A 74 4.627 -3.138 -15.140 1.00 10.11 H new ATOM 0 HA THR A 74 3.127 -4.589 -17.015 1.00 74.24 H new ATOM 0 HB THR A 74 1.143 -4.056 -15.798 1.00 41.53 H new ATOM 0 HG1 THR A 74 0.400 -3.728 -17.775 1.00 14.22 H new ATOM 0 HG21 THR A 74 0.450 -1.743 -15.272 1.00 11.04 H new ATOM 0 HG22 THR A 74 1.946 -2.203 -14.425 1.00 11.04 H new ATOM 0 HG23 THR A 74 2.023 -1.149 -15.856 1.00 11.04 H new ATOM 1133 N GLY A 75 4.567 -3.086 -18.399 1.00 52.32 N ATOM 1134 CA GLY A 75 5.333 -2.217 -19.285 1.00 72.52 C ATOM 1135 C GLY A 75 5.321 -2.696 -20.726 1.00 42.43 C ATOM 1136 O GLY A 75 4.581 -3.621 -21.072 1.00 43.23 O ATOM 0 H GLY A 75 4.640 -4.080 -18.616 1.00 52.32 H new ATOM 0 HA2 GLY A 75 4.926 -1.207 -19.238 1.00 72.52 H new ATOM 0 HA3 GLY A 75 6.363 -2.162 -18.933 1.00 72.52 H new ATOM 1140 N ARG A 76 6.138 -2.067 -21.567 1.00 35.04 N ATOM 1141 CA ARG A 76 6.219 -2.426 -22.981 1.00 4.50 C ATOM 1142 C ARG A 76 7.655 -2.304 -23.480 1.00 12.31 C ATOM 1143 O ARG A 76 8.321 -1.302 -23.236 1.00 73.20 O ATOM 1144 CB ARG A 76 5.293 -1.523 -23.809 1.00 60.21 C ATOM 1145 CG ARG A 76 5.297 -1.821 -25.308 1.00 70.14 C ATOM 1146 CD ARG A 76 4.345 -0.899 -26.071 1.00 54.54 C ATOM 1147 NE ARG A 76 2.987 -0.948 -25.520 1.00 2.04 N ATOM 1148 CZ ARG A 76 1.911 -1.383 -26.184 1.00 41.13 C ATOM 1149 NH1 ARG A 76 2.002 -1.709 -27.469 1.00 34.14 N ATOM 1150 NH2 ARG A 76 0.735 -1.446 -25.568 1.00 60.43 N ATOM 0 H ARG A 76 6.756 -1.303 -21.293 1.00 35.04 H new ATOM 0 HA ARG A 76 5.898 -3.461 -23.096 1.00 4.50 H new ATOM 0 HB2 ARG A 76 4.275 -1.625 -23.433 1.00 60.21 H new ATOM 0 HB3 ARG A 76 5.587 -0.484 -23.656 1.00 60.21 H new ATOM 0 HG2 ARG A 76 6.308 -1.705 -25.699 1.00 70.14 H new ATOM 0 HG3 ARG A 76 5.009 -2.859 -25.473 1.00 70.14 H new ATOM 0 HD2 ARG A 76 4.718 0.124 -26.030 1.00 54.54 H new ATOM 0 HD3 ARG A 76 4.322 -1.188 -27.122 1.00 54.54 H new ATOM 0 HE ARG A 76 2.854 -0.627 -24.561 1.00 2.04 H new ATOM 0 HH11 ARG A 76 2.896 -1.628 -27.954 1.00 34.14 H new ATOM 0 HH12 ARG A 76 1.178 -2.040 -27.971 1.00 34.14 H new ATOM 0 HH21 ARG A 76 0.655 -1.163 -24.591 1.00 60.43 H new ATOM 0 HH22 ARG A 76 -0.088 -1.777 -26.072 1.00 60.43 H new ATOM 1164 N GLY A 77 8.126 -3.319 -24.192 1.00 43.11 N ATOM 1165 CA GLY A 77 9.486 -3.305 -24.697 1.00 54.42 C ATOM 1166 C GLY A 77 9.655 -4.182 -25.918 1.00 15.24 C ATOM 1167 O GLY A 77 9.840 -5.396 -25.796 1.00 61.11 O ATOM 0 H GLY A 77 7.590 -4.154 -24.430 1.00 43.11 H new ATOM 0 HA2 GLY A 77 9.768 -2.282 -24.946 1.00 54.42 H new ATOM 0 HA3 GLY A 77 10.165 -3.642 -23.914 1.00 54.42 H new ATOM 1171 N PHE A 78 9.586 -3.572 -27.095 1.00 22.23 N ATOM 1172 CA PHE A 78 9.786 -4.286 -28.350 1.00 73.44 C ATOM 1173 C PHE A 78 10.922 -3.640 -29.135 1.00 12.01 C ATOM 1174 O PHE A 78 11.332 -2.516 -28.830 1.00 2.23 O ATOM 1175 CB PHE A 78 8.492 -4.305 -29.185 1.00 60.31 C ATOM 1176 CG PHE A 78 8.022 -2.943 -29.646 1.00 23.21 C ATOM 1177 CD1 PHE A 78 7.241 -2.142 -28.821 1.00 23.21 C ATOM 1178 CD2 PHE A 78 8.357 -2.467 -30.910 1.00 25.02 C ATOM 1179 CE1 PHE A 78 6.807 -0.900 -29.246 1.00 21.11 C ATOM 1180 CE2 PHE A 78 7.924 -1.225 -31.336 1.00 31.41 C ATOM 1181 CZ PHE A 78 7.149 -0.440 -30.502 1.00 42.13 C ATOM 0 H PHE A 78 9.392 -2.577 -27.206 1.00 22.23 H new ATOM 0 HA PHE A 78 10.052 -5.319 -28.125 1.00 73.44 H new ATOM 0 HB2 PHE A 78 8.648 -4.936 -30.060 1.00 60.31 H new ATOM 0 HB3 PHE A 78 7.701 -4.768 -28.595 1.00 60.31 H new ATOM 0 HD1 PHE A 78 6.970 -2.494 -27.837 1.00 23.21 H new ATOM 0 HD2 PHE A 78 8.962 -3.075 -31.566 1.00 25.02 H new ATOM 0 HE1 PHE A 78 6.200 -0.289 -28.595 1.00 21.11 H new ATOM 0 HE2 PHE A 78 8.191 -0.868 -32.320 1.00 31.41 H new ATOM 0 HZ PHE A 78 6.812 0.531 -30.833 1.00 42.13 H new ATOM 1191 N ASP A 79 11.415 -4.341 -30.147 1.00 52.44 N ATOM 1192 CA ASP A 79 12.517 -3.852 -30.963 1.00 4.14 C ATOM 1193 C ASP A 79 12.311 -4.282 -32.409 1.00 34.43 C ATOM 1194 O ASP A 79 12.386 -5.466 -32.745 1.00 22.44 O ATOM 1195 CB ASP A 79 13.874 -4.351 -30.428 1.00 50.33 C ATOM 1196 CG ASP A 79 14.031 -5.864 -30.489 1.00 31.15 C ATOM 1197 OD1 ASP A 79 13.516 -6.561 -29.587 1.00 74.11 O ATOM 1198 OD2 ASP A 79 14.680 -6.369 -31.432 1.00 63.52 O ATOM 0 H ASP A 79 11.065 -5.258 -30.424 1.00 52.44 H new ATOM 0 HA ASP A 79 12.531 -2.763 -30.914 1.00 4.14 H new ATOM 0 HB2 ASP A 79 14.675 -3.887 -31.003 1.00 50.33 H new ATOM 0 HB3 ASP A 79 13.991 -4.023 -29.395 1.00 50.33 H new ATOM 1203 N GLN A 80 11.982 -3.316 -33.247 1.00 32.33 N ATOM 1204 CA GLN A 80 11.795 -3.550 -34.672 1.00 51.35 C ATOM 1205 C GLN A 80 12.724 -2.636 -35.463 1.00 60.12 C ATOM 1206 O GLN A 80 13.840 -3.074 -35.821 1.00 14.05 O ATOM 1207 CB GLN A 80 10.331 -3.310 -35.069 1.00 42.55 C ATOM 1208 CG GLN A 80 9.336 -4.153 -34.279 1.00 4.25 C ATOM 1209 CD GLN A 80 7.894 -3.920 -34.694 1.00 22.13 C ATOM 1210 OE1 GLN A 80 7.526 -2.830 -35.140 1.00 60.13 O ATOM 1211 NE2 GLN A 80 7.063 -4.941 -34.539 1.00 63.52 N ATOM 1212 OXT GLN A 80 12.359 -1.467 -35.691 1.00 0.00 O ATOM 0 H GLN A 80 11.836 -2.347 -32.962 1.00 32.33 H new ATOM 0 HA GLN A 80 12.039 -4.588 -34.900 1.00 51.35 H new ATOM 0 HB2 GLN A 80 10.093 -2.256 -34.927 1.00 42.55 H new ATOM 0 HB3 GLN A 80 10.212 -3.524 -36.131 1.00 42.55 H new ATOM 0 HG2 GLN A 80 9.579 -5.208 -34.409 1.00 4.25 H new ATOM 0 HG3 GLN A 80 9.443 -3.930 -33.217 1.00 4.25 H new ATOM 0 HE21 GLN A 80 7.407 -5.826 -34.167 1.00 63.52 H new ATOM 0 HE22 GLN A 80 6.080 -4.841 -34.792 1.00 63.52 H new TER 1221 GLN A 80