USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 849 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 23 ASN : amide:sc= -2.94! C(o=-1.8!,f=-1.7!) USER MOD Set 1.2: A 50 SER OG : rot 77:sc= 1.11 USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 5 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0353 X(o=-0.035,f=0) USER MOD Single : A 16 THR OG1 : rot 73:sc= 1.24 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -3.47 X(o=-3.5,f=-3.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 28:sc= 0.644 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0747 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.762 K(o=-0.76,f=-8.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 58 ASN : amide:sc= -4 K(o=-4,f=-5.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -64:sc= 0.36 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -6.72! C(o=-6.7!,f=-9.1!) USER MOD Single : A 78 TYR OH : rot -25:sc= -1.12 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -5.41! C(o=-5.4!,f=-8.1!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 41:sc= -1.82! USER MOD Single : A 91 SER OG : rot 90:sc= 1.74 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0604 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.545 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 59:sc= -0.403 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -0.0244 K(o=-0.024,f=-1.5) USER MOD Single : A 103 TYR OH : rot -30:sc= -1.89 USER MOD Single : A 104 GLN : amide:sc= -7.49! C(o=-7.5!,f=-10!) USER MOD Single : A 105 THR OG1 : rot 102:sc= 0.879 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.206 15.763 4.904 1.00 0.00 N ATOM 2 CA ALA A 1 10.681 15.865 6.296 1.00 0.00 C ATOM 3 C ALA A 1 9.270 15.278 6.355 1.00 0.00 C ATOM 4 O ALA A 1 9.087 14.099 6.586 1.00 0.00 O ATOM 5 CB ALA A 1 10.639 17.335 6.718 1.00 0.00 C ATOM 0 H1 ALA A 1 12.165 16.162 4.865 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.235 14.764 4.616 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.584 16.291 4.259 1.00 0.00 H new ATOM 0 HA ALA A 1 11.333 15.310 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.255 17.411 7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.644 17.754 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.987 17.889 6.042 1.00 0.00 H new ATOM 13 N GLN A 2 8.270 16.089 6.146 1.00 0.00 N ATOM 14 CA GLN A 2 6.871 15.576 6.190 1.00 0.00 C ATOM 15 C GLN A 2 6.512 14.952 4.840 1.00 0.00 C ATOM 16 O GLN A 2 6.900 15.440 3.797 1.00 0.00 O ATOM 17 CB GLN A 2 5.914 16.732 6.489 1.00 0.00 C ATOM 18 CG GLN A 2 5.490 16.677 7.958 1.00 0.00 C ATOM 19 CD GLN A 2 3.976 16.478 8.046 1.00 0.00 C ATOM 20 OE1 GLN A 2 3.509 15.538 8.659 1.00 0.00 O ATOM 21 NE2 GLN A 2 3.183 17.327 7.453 1.00 0.00 N ATOM 0 H GLN A 2 8.361 17.085 5.947 1.00 0.00 H new ATOM 0 HA GLN A 2 6.785 14.821 6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.399 17.684 6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.038 16.669 5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.005 15.861 8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.776 17.599 8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.574 18.116 6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.172 17.202 7.504 1.00 0.00 H new ATOM 30 N VAL A 3 5.774 13.876 4.850 1.00 0.00 N ATOM 31 CA VAL A 3 5.390 13.221 3.567 1.00 0.00 C ATOM 32 C VAL A 3 4.000 12.598 3.709 1.00 0.00 C ATOM 33 O VAL A 3 3.330 12.771 4.709 1.00 0.00 O ATOM 34 CB VAL A 3 6.406 12.129 3.229 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.819 12.710 3.282 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.286 10.991 4.245 1.00 0.00 C ATOM 0 H VAL A 3 5.420 13.422 5.692 1.00 0.00 H new ATOM 0 HA VAL A 3 5.376 13.964 2.769 1.00 0.00 H new ATOM 0 HB VAL A 3 6.208 11.747 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.542 11.931 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.906 13.522 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.018 13.092 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.009 10.212 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.484 11.375 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.279 10.575 4.208 1.00 0.00 H new ATOM 46 N ILE A 4 3.561 11.873 2.717 1.00 0.00 N ATOM 47 CA ILE A 4 2.216 11.238 2.798 1.00 0.00 C ATOM 48 C ILE A 4 2.372 9.717 2.858 1.00 0.00 C ATOM 49 O ILE A 4 2.463 9.052 1.845 1.00 0.00 O ATOM 50 CB ILE A 4 1.399 11.616 1.561 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.201 13.133 1.524 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.034 10.927 1.620 1.00 0.00 C ATOM 53 CD1 ILE A 4 1.648 13.673 0.165 1.00 0.00 C ATOM 0 H ILE A 4 4.075 11.693 1.855 1.00 0.00 H new ATOM 0 HA ILE A 4 1.704 11.587 3.694 1.00 0.00 H new ATOM 0 HB ILE A 4 1.930 11.296 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.153 13.378 1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.775 13.605 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.548 11.196 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.173 9.846 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.497 11.247 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.507 14.754 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.702 13.441 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.054 13.210 -0.623 1.00 0.00 H new ATOM 65 N ASN A 5 2.404 9.161 4.037 1.00 0.00 N ATOM 66 CA ASN A 5 2.555 7.683 4.160 1.00 0.00 C ATOM 67 C ASN A 5 1.689 7.177 5.315 1.00 0.00 C ATOM 68 O ASN A 5 2.183 6.628 6.280 1.00 0.00 O ATOM 69 CB ASN A 5 4.021 7.339 4.432 1.00 0.00 C ATOM 70 CG ASN A 5 4.484 8.045 5.708 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.226 9.217 5.897 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.165 7.375 6.598 1.00 0.00 N ATOM 0 H ASN A 5 2.332 9.665 4.921 1.00 0.00 H new ATOM 0 HA ASN A 5 2.238 7.207 3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.139 6.261 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.640 7.646 3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.480 7.836 7.452 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.382 6.391 6.440 1.00 0.00 H new ATOM 79 N THR A 6 0.399 7.356 5.225 1.00 0.00 N ATOM 80 CA THR A 6 -0.498 6.884 6.317 1.00 0.00 C ATOM 81 C THR A 6 -1.843 6.458 5.726 1.00 0.00 C ATOM 82 O THR A 6 -2.030 6.450 4.525 1.00 0.00 O ATOM 83 CB THR A 6 -0.721 8.018 7.321 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.577 9.267 6.661 1.00 0.00 O ATOM 85 CG2 THR A 6 0.304 7.912 8.450 1.00 0.00 C ATOM 0 H THR A 6 -0.072 7.809 4.442 1.00 0.00 H new ATOM 0 HA THR A 6 -0.037 6.035 6.822 1.00 0.00 H new ATOM 0 HB THR A 6 -1.725 7.942 7.739 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.721 9.994 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.144 8.720 9.164 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.190 6.953 8.956 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.310 7.987 8.037 1.00 0.00 H new ATOM 93 N PHE A 7 -2.783 6.107 6.559 1.00 0.00 N ATOM 94 CA PHE A 7 -4.115 5.683 6.044 1.00 0.00 C ATOM 95 C PHE A 7 -4.884 6.908 5.547 1.00 0.00 C ATOM 96 O PHE A 7 -5.304 6.969 4.412 1.00 0.00 O ATOM 97 CB PHE A 7 -4.906 5.008 7.167 1.00 0.00 C ATOM 98 CG PHE A 7 -4.341 3.636 7.430 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.180 2.729 6.377 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.980 3.271 8.730 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.657 1.455 6.624 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.457 1.996 8.980 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.294 1.088 7.926 1.00 0.00 C ATOM 0 H PHE A 7 -2.686 6.095 7.574 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.978 4.981 5.222 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.858 5.612 8.073 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.957 4.932 6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.460 3.012 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.104 3.972 9.542 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.533 0.755 5.811 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.180 1.713 9.985 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.889 0.105 8.117 1.00 0.00 H new ATOM 113 N ASP A 8 -5.076 7.881 6.394 1.00 0.00 N ATOM 114 CA ASP A 8 -5.821 9.102 5.972 1.00 0.00 C ATOM 115 C ASP A 8 -4.966 9.929 5.005 1.00 0.00 C ATOM 116 O ASP A 8 -5.476 10.601 4.131 1.00 0.00 O ATOM 117 CB ASP A 8 -6.153 9.945 7.204 1.00 0.00 C ATOM 118 CG ASP A 8 -7.672 10.039 7.364 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.308 9.000 7.420 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.173 11.150 7.428 1.00 0.00 O ATOM 0 H ASP A 8 -4.750 7.884 7.360 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.742 8.804 5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.710 9.498 8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.725 10.942 7.102 1.00 0.00 H new ATOM 125 N GLY A 9 -3.670 9.892 5.160 1.00 0.00 N ATOM 126 CA GLY A 9 -2.787 10.686 4.260 1.00 0.00 C ATOM 127 C GLY A 9 -2.799 10.082 2.856 1.00 0.00 C ATOM 128 O GLY A 9 -3.091 10.751 1.885 1.00 0.00 O ATOM 0 H GLY A 9 -3.185 9.346 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.127 11.721 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.770 10.698 4.652 1.00 0.00 H new ATOM 132 N VAL A 10 -2.483 8.824 2.740 1.00 0.00 N ATOM 133 CA VAL A 10 -2.476 8.186 1.393 1.00 0.00 C ATOM 134 C VAL A 10 -3.900 8.151 0.844 1.00 0.00 C ATOM 135 O VAL A 10 -4.132 8.401 -0.320 1.00 0.00 O ATOM 136 CB VAL A 10 -1.928 6.761 1.496 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.801 6.162 0.095 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.551 6.793 2.162 1.00 0.00 C ATOM 0 H VAL A 10 -2.230 8.211 3.515 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.840 8.763 0.722 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.607 6.152 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.411 5.147 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.781 6.141 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.121 6.771 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.159 5.779 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.128 7.402 1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.640 7.222 3.160 1.00 0.00 H new ATOM 148 N ALA A 11 -4.859 7.854 1.676 1.00 0.00 N ATOM 149 CA ALA A 11 -6.268 7.822 1.197 1.00 0.00 C ATOM 150 C ALA A 11 -6.613 9.196 0.628 1.00 0.00 C ATOM 151 O ALA A 11 -7.238 9.316 -0.407 1.00 0.00 O ATOM 152 CB ALA A 11 -7.201 7.499 2.366 1.00 0.00 C ATOM 0 H ALA A 11 -4.729 7.633 2.663 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.387 7.057 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.232 7.476 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.939 6.527 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.098 8.264 3.136 1.00 0.00 H new ATOM 158 N ASP A 12 -6.193 10.236 1.297 1.00 0.00 N ATOM 159 CA ASP A 12 -6.475 11.610 0.799 1.00 0.00 C ATOM 160 C ASP A 12 -5.820 11.790 -0.570 1.00 0.00 C ATOM 161 O ASP A 12 -6.464 12.137 -1.539 1.00 0.00 O ATOM 162 CB ASP A 12 -5.891 12.631 1.775 1.00 0.00 C ATOM 163 CG ASP A 12 -7.020 13.270 2.586 1.00 0.00 C ATOM 164 OD1 ASP A 12 -8.010 13.655 1.986 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.874 13.362 3.794 1.00 0.00 O ATOM 0 H ASP A 12 -5.666 10.191 2.169 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.552 11.758 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.180 12.145 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.342 13.398 1.229 1.00 0.00 H new ATOM 170 N TYR A 13 -4.538 11.552 -0.655 1.00 0.00 N ATOM 171 CA TYR A 13 -3.837 11.705 -1.961 1.00 0.00 C ATOM 172 C TYR A 13 -4.476 10.771 -2.989 1.00 0.00 C ATOM 173 O TYR A 13 -4.370 10.976 -4.182 1.00 0.00 O ATOM 174 CB TYR A 13 -2.361 11.343 -1.789 1.00 0.00 C ATOM 175 CG TYR A 13 -1.582 11.806 -2.997 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.454 10.968 -4.111 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.985 13.072 -3.001 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.730 11.398 -5.230 1.00 0.00 C ATOM 179 CE2 TYR A 13 -0.261 13.503 -4.120 1.00 0.00 C ATOM 180 CZ TYR A 13 -0.134 12.665 -5.234 1.00 0.00 C ATOM 181 OH TYR A 13 0.580 13.087 -6.336 1.00 0.00 O ATOM 0 H TYR A 13 -3.947 11.259 0.123 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.920 12.736 -2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.964 11.809 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.252 10.266 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.913 9.991 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.083 13.717 -2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.631 10.752 -6.090 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.199 14.480 -4.123 1.00 0.00 H new ATOM 0 HH TYR A 13 0.927 13.989 -6.175 1.00 0.00 H new ATOM 191 N LEU A 14 -5.141 9.746 -2.532 1.00 0.00 N ATOM 192 CA LEU A 14 -5.791 8.792 -3.472 1.00 0.00 C ATOM 193 C LEU A 14 -7.025 9.452 -4.091 1.00 0.00 C ATOM 194 O LEU A 14 -7.108 9.629 -5.286 1.00 0.00 O ATOM 195 CB LEU A 14 -6.207 7.532 -2.709 1.00 0.00 C ATOM 196 CG LEU A 14 -5.112 6.467 -2.838 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.112 5.582 -1.590 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.383 5.600 -4.069 1.00 0.00 C ATOM 0 H LEU A 14 -5.262 9.528 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.092 8.521 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.375 7.770 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.148 7.150 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.144 6.956 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.334 4.824 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.920 6.195 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.082 5.095 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.604 4.843 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.352 5.112 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.386 6.226 -4.961 1.00 0.00 H new ATOM 210 N GLN A 15 -7.984 9.820 -3.290 1.00 0.00 N ATOM 211 CA GLN A 15 -9.203 10.476 -3.846 1.00 0.00 C ATOM 212 C GLN A 15 -8.856 11.895 -4.312 1.00 0.00 C ATOM 213 O GLN A 15 -9.654 12.564 -4.938 1.00 0.00 O ATOM 214 CB GLN A 15 -10.282 10.546 -2.764 1.00 0.00 C ATOM 215 CG GLN A 15 -9.844 11.526 -1.675 1.00 0.00 C ATOM 216 CD GLN A 15 -11.036 11.855 -0.774 1.00 0.00 C ATOM 217 OE1 GLN A 15 -11.379 13.007 -0.598 1.00 0.00 O ATOM 218 NE2 GLN A 15 -11.686 10.885 -0.192 1.00 0.00 N ATOM 0 H GLN A 15 -7.979 9.696 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.572 9.896 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.229 10.867 -3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.447 9.558 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.037 11.093 -1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.454 12.438 -2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.398 9.918 -0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.482 11.094 0.411 1.00 0.00 H new ATOM 227 N THR A 16 -7.677 12.364 -4.000 1.00 0.00 N ATOM 228 CA THR A 16 -7.288 13.745 -4.411 1.00 0.00 C ATOM 229 C THR A 16 -6.630 13.722 -5.786 1.00 0.00 C ATOM 230 O THR A 16 -7.143 14.263 -6.745 1.00 0.00 O ATOM 231 CB THR A 16 -6.307 14.325 -3.388 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.972 14.503 -2.146 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.784 15.671 -3.889 1.00 0.00 C ATOM 0 H THR A 16 -6.967 11.851 -3.478 1.00 0.00 H new ATOM 0 HA THR A 16 -8.183 14.365 -4.457 1.00 0.00 H new ATOM 0 HB THR A 16 -5.470 13.640 -3.256 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.123 13.630 -1.728 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.086 16.084 -3.161 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.274 15.531 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.619 16.359 -4.022 1.00 0.00 H new ATOM 241 N TYR A 17 -5.498 13.105 -5.882 1.00 0.00 N ATOM 242 CA TYR A 17 -4.786 13.044 -7.190 1.00 0.00 C ATOM 243 C TYR A 17 -5.255 11.810 -7.962 1.00 0.00 C ATOM 244 O TYR A 17 -4.982 11.656 -9.135 1.00 0.00 O ATOM 245 CB TYR A 17 -3.278 12.953 -6.947 1.00 0.00 C ATOM 246 CG TYR A 17 -2.764 14.298 -6.491 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.396 15.264 -7.435 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.657 14.579 -5.124 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.921 16.512 -7.012 1.00 0.00 C ATOM 250 CE2 TYR A 17 -2.183 15.826 -4.700 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.815 16.792 -5.644 1.00 0.00 C ATOM 252 OH TYR A 17 -1.347 18.022 -5.227 1.00 0.00 O ATOM 0 H TYR A 17 -5.026 12.635 -5.110 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.005 13.942 -7.768 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.065 12.195 -6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.769 12.647 -7.861 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.478 15.047 -8.490 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.940 13.833 -4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.637 17.257 -7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.101 16.043 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.337 18.053 -4.248 1.00 0.00 H new ATOM 262 N HIS A 18 -5.968 10.935 -7.311 1.00 0.00 N ATOM 263 CA HIS A 18 -6.466 9.714 -8.000 1.00 0.00 C ATOM 264 C HIS A 18 -5.279 8.891 -8.501 1.00 0.00 C ATOM 265 O HIS A 18 -5.193 8.543 -9.662 1.00 0.00 O ATOM 266 CB HIS A 18 -7.357 10.127 -9.171 1.00 0.00 C ATOM 267 CG HIS A 18 -8.621 10.737 -8.627 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.791 10.803 -9.367 1.00 0.00 N ATOM 269 CD2 HIS A 18 -8.915 11.303 -7.409 1.00 0.00 C ATOM 270 CE1 HIS A 18 -10.725 11.388 -8.595 1.00 0.00 C ATOM 271 NE2 HIS A 18 -10.244 11.713 -7.393 1.00 0.00 N ATOM 0 H HIS A 18 -6.228 11.014 -6.328 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.047 9.106 -7.306 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.836 10.842 -9.808 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.592 9.261 -9.790 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.220 11.413 -6.590 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.741 11.572 -8.910 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.744 12.165 -6.627 1.00 0.00 H new ATOM 279 N LYS A 19 -4.368 8.575 -7.622 1.00 0.00 N ATOM 280 CA LYS A 19 -3.177 7.772 -8.015 1.00 0.00 C ATOM 281 C LYS A 19 -2.146 7.835 -6.889 1.00 0.00 C ATOM 282 O LYS A 19 -1.796 8.899 -6.416 1.00 0.00 O ATOM 283 CB LYS A 19 -2.564 8.337 -9.298 1.00 0.00 C ATOM 284 CG LYS A 19 -2.415 9.855 -9.170 1.00 0.00 C ATOM 285 CD LYS A 19 -1.408 10.358 -10.207 1.00 0.00 C ATOM 286 CE LYS A 19 -1.129 11.843 -9.970 1.00 0.00 C ATOM 287 NZ LYS A 19 -2.038 12.662 -10.821 1.00 0.00 N ATOM 0 H LYS A 19 -4.399 8.842 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.477 6.739 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.591 7.880 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.196 8.094 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.380 10.340 -9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.080 10.115 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.482 9.787 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.800 10.207 -11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.278 12.089 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.089 12.071 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.848 13.672 -10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.874 12.435 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.026 12.452 -10.575 1.00 0.00 H new ATOM 301 N LEU A 20 -1.656 6.709 -6.451 1.00 0.00 N ATOM 302 CA LEU A 20 -0.650 6.718 -5.352 1.00 0.00 C ATOM 303 C LEU A 20 0.394 7.803 -5.635 1.00 0.00 C ATOM 304 O LEU A 20 0.650 8.129 -6.777 1.00 0.00 O ATOM 305 CB LEU A 20 0.044 5.354 -5.275 1.00 0.00 C ATOM 306 CG LEU A 20 -0.964 4.290 -4.843 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.231 2.973 -4.581 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.668 4.744 -3.563 1.00 0.00 C ATOM 0 H LEU A 20 -1.907 5.786 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.149 6.922 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.468 5.095 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.871 5.395 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.702 4.146 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.948 2.212 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.272 2.649 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.506 3.118 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.387 3.985 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.930 4.887 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.189 5.684 -3.748 1.00 0.00 H new ATOM 320 N PRO A 21 0.968 8.327 -4.583 1.00 0.00 N ATOM 321 CA PRO A 21 1.994 9.379 -4.692 1.00 0.00 C ATOM 322 C PRO A 21 3.132 8.927 -5.604 1.00 0.00 C ATOM 323 O PRO A 21 3.292 7.756 -5.885 1.00 0.00 O ATOM 324 CB PRO A 21 2.506 9.573 -3.260 1.00 0.00 C ATOM 325 CG PRO A 21 1.586 8.753 -2.320 1.00 0.00 C ATOM 326 CD PRO A 21 0.646 7.917 -3.204 1.00 0.00 C ATOM 0 HA PRO A 21 1.595 10.299 -5.120 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.539 9.237 -3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.490 10.628 -2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.178 8.107 -1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.013 9.415 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.811 6.849 -3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.400 8.113 -2.966 1.00 0.00 H new ATOM 334 N ASP A 22 3.934 9.850 -6.060 1.00 0.00 N ATOM 335 CA ASP A 22 5.071 9.474 -6.940 1.00 0.00 C ATOM 336 C ASP A 22 6.102 8.701 -6.118 1.00 0.00 C ATOM 337 O ASP A 22 7.062 8.173 -6.645 1.00 0.00 O ATOM 338 CB ASP A 22 5.715 10.737 -7.516 1.00 0.00 C ATOM 339 CG ASP A 22 5.906 10.572 -9.023 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.935 9.439 -9.476 1.00 0.00 O ATOM 341 OD2 ASP A 22 6.020 11.580 -9.701 1.00 0.00 O ATOM 0 H ASP A 22 3.849 10.847 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 22 4.712 8.851 -7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.087 11.604 -7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.676 10.919 -7.035 1.00 0.00 H new ATOM 346 N ASN A 23 5.911 8.630 -4.828 1.00 0.00 N ATOM 347 CA ASN A 23 6.882 7.890 -3.974 1.00 0.00 C ATOM 348 C ASN A 23 6.335 6.493 -3.670 1.00 0.00 C ATOM 349 O ASN A 23 6.588 5.934 -2.623 1.00 0.00 O ATOM 350 CB ASN A 23 7.096 8.653 -2.664 1.00 0.00 C ATOM 351 CG ASN A 23 5.758 9.209 -2.171 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.458 10.369 -2.373 1.00 0.00 O ATOM 353 ND2 ASN A 23 4.937 8.425 -1.527 1.00 0.00 N ATOM 0 H ASN A 23 5.127 9.051 -4.330 1.00 0.00 H new ATOM 0 HA ASN A 23 7.832 7.800 -4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.526 7.992 -1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.806 9.466 -2.816 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.043 8.786 -1.193 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.189 7.451 -1.358 1.00 0.00 H new ATOM 360 N TYR A 24 5.588 5.921 -4.577 1.00 0.00 N ATOM 361 CA TYR A 24 5.035 4.559 -4.330 1.00 0.00 C ATOM 362 C TYR A 24 5.498 3.606 -5.430 1.00 0.00 C ATOM 363 O TYR A 24 4.785 3.339 -6.377 1.00 0.00 O ATOM 364 CB TYR A 24 3.507 4.611 -4.315 1.00 0.00 C ATOM 365 CG TYR A 24 3.026 4.608 -2.885 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.856 3.398 -2.205 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.758 5.819 -2.239 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.418 3.398 -0.874 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.318 5.821 -0.910 1.00 0.00 C ATOM 370 CZ TYR A 24 2.148 4.611 -0.228 1.00 0.00 C ATOM 371 OH TYR A 24 1.715 4.614 1.082 1.00 0.00 O ATOM 0 H TYR A 24 5.338 6.337 -5.474 1.00 0.00 H new ATOM 0 HA TYR A 24 5.393 4.202 -3.364 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.156 5.507 -4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.097 3.756 -4.851 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.062 2.464 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.890 6.753 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.289 2.464 -0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.110 6.756 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 24 2.057 3.819 1.541 1.00 0.00 H new ATOM 381 N ILE A 25 6.684 3.082 -5.307 1.00 0.00 N ATOM 382 CA ILE A 25 7.190 2.134 -6.335 1.00 0.00 C ATOM 383 C ILE A 25 6.840 0.711 -5.903 1.00 0.00 C ATOM 384 O ILE A 25 7.113 0.310 -4.789 1.00 0.00 O ATOM 385 CB ILE A 25 8.708 2.273 -6.462 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.342 2.189 -5.071 1.00 0.00 C ATOM 387 CG2 ILE A 25 9.046 3.624 -7.095 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.584 1.297 -5.129 1.00 0.00 C ATOM 0 H ILE A 25 7.326 3.270 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 25 6.732 2.354 -7.299 1.00 0.00 H new ATOM 0 HB ILE A 25 9.096 1.471 -7.090 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.613 3.186 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.625 1.786 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.128 3.723 -7.185 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.592 3.686 -8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.659 4.427 -6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.036 1.237 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.299 0.298 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.303 1.720 -5.831 1.00 0.00 H new ATOM 400 N THR A 26 6.233 -0.055 -6.765 1.00 0.00 N ATOM 401 CA THR A 26 5.868 -1.448 -6.384 1.00 0.00 C ATOM 402 C THR A 26 7.070 -2.121 -5.722 1.00 0.00 C ATOM 403 O THR A 26 8.151 -1.569 -5.668 1.00 0.00 O ATOM 404 CB THR A 26 5.461 -2.234 -7.629 1.00 0.00 C ATOM 405 OG1 THR A 26 6.619 -2.546 -8.391 1.00 0.00 O ATOM 406 CG2 THR A 26 4.498 -1.399 -8.473 1.00 0.00 C ATOM 0 H THR A 26 5.975 0.221 -7.712 1.00 0.00 H new ATOM 0 HA THR A 26 5.031 -1.426 -5.686 1.00 0.00 H new ATOM 0 HB THR A 26 4.965 -3.157 -7.329 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.359 -3.052 -9.189 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.210 -1.962 -9.360 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.609 -1.165 -7.887 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.988 -0.473 -8.774 1.00 0.00 H new ATOM 414 N LYS A 27 6.897 -3.312 -5.221 1.00 0.00 N ATOM 415 CA LYS A 27 8.048 -4.003 -4.567 1.00 0.00 C ATOM 416 C LYS A 27 9.059 -4.413 -5.634 1.00 0.00 C ATOM 417 O LYS A 27 10.250 -4.243 -5.468 1.00 0.00 O ATOM 418 CB LYS A 27 7.595 -5.250 -3.793 1.00 0.00 C ATOM 419 CG LYS A 27 6.075 -5.263 -3.606 1.00 0.00 C ATOM 420 CD LYS A 27 5.419 -5.955 -4.803 1.00 0.00 C ATOM 421 CE LYS A 27 5.338 -7.461 -4.542 1.00 0.00 C ATOM 422 NZ LYS A 27 6.026 -8.194 -5.641 1.00 0.00 N ATOM 0 H LYS A 27 6.021 -3.834 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 27 8.500 -3.310 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.906 -6.147 -4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.084 -5.275 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.816 -5.784 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.701 -4.244 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.421 -5.550 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.995 -5.763 -5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.802 -7.700 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.296 -7.774 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.971 -9.217 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.565 -7.974 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.024 -7.903 -5.681 1.00 0.00 H new ATOM 436 N SER A 28 8.600 -4.945 -6.733 1.00 0.00 N ATOM 437 CA SER A 28 9.549 -5.353 -7.804 1.00 0.00 C ATOM 438 C SER A 28 10.403 -4.145 -8.179 1.00 0.00 C ATOM 439 O SER A 28 11.592 -4.254 -8.421 1.00 0.00 O ATOM 440 CB SER A 28 8.767 -5.830 -9.029 1.00 0.00 C ATOM 441 OG SER A 28 7.951 -6.934 -8.665 1.00 0.00 O ATOM 0 H SER A 28 7.614 -5.114 -6.934 1.00 0.00 H new ATOM 0 HA SER A 28 10.184 -6.166 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.150 -5.020 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.455 -6.118 -9.824 1.00 0.00 H new ATOM 0 HG SER A 28 7.447 -7.241 -9.448 1.00 0.00 H new ATOM 447 N GLU A 29 9.806 -2.987 -8.217 1.00 0.00 N ATOM 448 CA GLU A 29 10.577 -1.766 -8.560 1.00 0.00 C ATOM 449 C GLU A 29 11.724 -1.617 -7.566 1.00 0.00 C ATOM 450 O GLU A 29 12.831 -1.279 -7.931 1.00 0.00 O ATOM 451 CB GLU A 29 9.664 -0.541 -8.486 1.00 0.00 C ATOM 452 CG GLU A 29 9.173 -0.182 -9.890 1.00 0.00 C ATOM 453 CD GLU A 29 10.370 0.172 -10.774 1.00 0.00 C ATOM 454 OE1 GLU A 29 10.777 1.323 -10.753 1.00 0.00 O ATOM 455 OE2 GLU A 29 10.859 -0.712 -11.458 1.00 0.00 O ATOM 0 H GLU A 29 8.816 -2.836 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 29 10.973 -1.849 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.815 -0.746 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.203 0.301 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.625 -1.020 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.482 0.660 -9.841 1.00 0.00 H new ATOM 462 N ALA A 30 11.475 -1.885 -6.311 1.00 0.00 N ATOM 463 CA ALA A 30 12.570 -1.771 -5.310 1.00 0.00 C ATOM 464 C ALA A 30 13.605 -2.853 -5.603 1.00 0.00 C ATOM 465 O ALA A 30 14.796 -2.640 -5.480 1.00 0.00 O ATOM 466 CB ALA A 30 12.007 -1.963 -3.900 1.00 0.00 C ATOM 0 H ALA A 30 10.570 -2.175 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 30 13.030 -0.785 -5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.813 -1.878 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.256 -1.198 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.550 -2.949 -3.822 1.00 0.00 H new ATOM 472 N GLN A 31 13.160 -4.012 -6.005 1.00 0.00 N ATOM 473 CA GLN A 31 14.115 -5.104 -6.323 1.00 0.00 C ATOM 474 C GLN A 31 15.017 -4.642 -7.465 1.00 0.00 C ATOM 475 O GLN A 31 16.172 -5.008 -7.547 1.00 0.00 O ATOM 476 CB GLN A 31 13.345 -6.356 -6.750 1.00 0.00 C ATOM 477 CG GLN A 31 12.799 -7.069 -5.511 1.00 0.00 C ATOM 478 CD GLN A 31 13.163 -8.554 -5.572 1.00 0.00 C ATOM 479 OE1 GLN A 31 14.325 -8.904 -5.617 1.00 0.00 O ATOM 480 NE2 GLN A 31 12.212 -9.447 -5.576 1.00 0.00 N ATOM 0 H GLN A 31 12.175 -4.247 -6.126 1.00 0.00 H new ATOM 0 HA GLN A 31 14.715 -5.342 -5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.526 -6.083 -7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.000 -7.025 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.213 -6.619 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.717 -6.951 -5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.236 -9.153 -5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.444 -10.439 -5.617 1.00 0.00 H new ATOM 489 N ALA A 32 14.494 -3.838 -8.352 1.00 0.00 N ATOM 490 CA ALA A 32 15.316 -3.349 -9.486 1.00 0.00 C ATOM 491 C ALA A 32 16.501 -2.548 -8.955 1.00 0.00 C ATOM 492 O ALA A 32 17.592 -2.593 -9.489 1.00 0.00 O ATOM 493 CB ALA A 32 14.463 -2.461 -10.393 1.00 0.00 C ATOM 0 H ALA A 32 13.531 -3.501 -8.336 1.00 0.00 H new ATOM 0 HA ALA A 32 15.684 -4.202 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.069 -2.103 -11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.621 -3.036 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.090 -1.610 -9.823 1.00 0.00 H new ATOM 499 N LEU A 33 16.285 -1.812 -7.911 1.00 0.00 N ATOM 500 CA LEU A 33 17.381 -0.987 -7.324 1.00 0.00 C ATOM 501 C LEU A 33 18.276 -1.849 -6.435 1.00 0.00 C ATOM 502 O LEU A 33 19.319 -1.421 -5.982 1.00 0.00 O ATOM 503 CB LEU A 33 16.762 0.135 -6.504 1.00 0.00 C ATOM 504 CG LEU A 33 15.867 0.962 -7.420 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.404 0.605 -7.159 1.00 0.00 C ATOM 506 CD2 LEU A 33 16.105 2.443 -7.148 1.00 0.00 C ATOM 0 H LEU A 33 15.389 -1.741 -7.429 1.00 0.00 H new ATOM 0 HA LEU A 33 17.992 -0.569 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.183 -0.275 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.541 0.761 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 33 16.102 0.748 -8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.763 1.196 -7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.247 -0.455 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.157 0.819 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.468 3.040 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.868 2.664 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.150 2.685 -7.342 1.00 0.00 H new ATOM 518 N GLY A 34 17.877 -3.063 -6.182 1.00 0.00 N ATOM 519 CA GLY A 34 18.703 -3.956 -5.321 1.00 0.00 C ATOM 520 C GLY A 34 18.039 -4.111 -3.950 1.00 0.00 C ATOM 521 O GLY A 34 18.660 -3.919 -2.923 1.00 0.00 O ATOM 0 H GLY A 34 17.014 -3.477 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.814 -4.932 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.704 -3.541 -5.206 1.00 0.00 H new ATOM 525 N TRP A 35 16.782 -4.459 -3.927 1.00 0.00 N ATOM 526 CA TRP A 35 16.076 -4.629 -2.625 1.00 0.00 C ATOM 527 C TRP A 35 15.602 -6.080 -2.499 1.00 0.00 C ATOM 528 O TRP A 35 14.897 -6.591 -3.347 1.00 0.00 O ATOM 529 CB TRP A 35 14.877 -3.666 -2.573 1.00 0.00 C ATOM 530 CG TRP A 35 13.823 -4.175 -1.635 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.880 -4.105 -0.285 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.561 -4.827 -1.958 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.730 -4.670 0.240 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.887 -5.130 -0.753 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.942 -5.179 -3.170 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.641 -5.762 -0.752 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.691 -5.814 -3.172 1.00 0.00 C ATOM 538 CH2 TRP A 35 10.043 -6.105 -1.964 1.00 0.00 C ATOM 0 H TRP A 35 16.212 -4.633 -4.755 1.00 0.00 H new ATOM 0 HA TRP A 35 16.748 -4.402 -1.797 1.00 0.00 H new ATOM 0 HB2 TRP A 35 15.211 -2.680 -2.251 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.456 -3.549 -3.571 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.689 -3.679 0.289 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.530 -4.738 1.238 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.433 -4.959 -4.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.144 -5.983 0.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 10.225 -6.080 -4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.081 -6.595 -1.972 1.00 0.00 H new ATOM 549 N VAL A 36 15.983 -6.749 -1.446 1.00 0.00 N ATOM 550 CA VAL A 36 15.555 -8.163 -1.264 1.00 0.00 C ATOM 551 C VAL A 36 14.243 -8.193 -0.479 1.00 0.00 C ATOM 552 O VAL A 36 14.196 -7.839 0.682 1.00 0.00 O ATOM 553 CB VAL A 36 16.629 -8.929 -0.491 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.378 -10.432 -0.624 1.00 0.00 C ATOM 555 CG2 VAL A 36 18.007 -8.590 -1.065 1.00 0.00 C ATOM 0 H VAL A 36 16.573 -6.376 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 36 15.412 -8.630 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 36 16.592 -8.646 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.143 -10.979 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.396 -10.674 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.416 -10.716 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.774 -9.135 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.043 -8.874 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.186 -7.519 -0.972 1.00 0.00 H new ATOM 565 N ALA A 37 13.177 -8.608 -1.103 1.00 0.00 N ATOM 566 CA ALA A 37 11.871 -8.654 -0.388 1.00 0.00 C ATOM 567 C ALA A 37 11.927 -9.721 0.707 1.00 0.00 C ATOM 568 O ALA A 37 11.108 -9.746 1.605 1.00 0.00 O ATOM 569 CB ALA A 37 10.757 -8.996 -1.379 1.00 0.00 C ATOM 0 H ALA A 37 13.153 -8.917 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 37 11.669 -7.682 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.802 -9.030 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.717 -8.235 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.957 -9.968 -1.831 1.00 0.00 H new ATOM 575 N SER A 38 12.887 -10.603 0.642 1.00 0.00 N ATOM 576 CA SER A 38 12.993 -11.667 1.680 1.00 0.00 C ATOM 577 C SER A 38 13.862 -11.166 2.836 1.00 0.00 C ATOM 578 O SER A 38 13.898 -11.754 3.898 1.00 0.00 O ATOM 579 CB SER A 38 13.629 -12.915 1.067 1.00 0.00 C ATOM 580 OG SER A 38 12.842 -13.351 -0.033 1.00 0.00 O ATOM 0 H SER A 38 13.602 -10.633 -0.085 1.00 0.00 H new ATOM 0 HA SER A 38 11.999 -11.912 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.645 -12.695 0.738 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.700 -13.705 1.814 1.00 0.00 H new ATOM 0 HG SER A 38 13.248 -14.150 -0.429 1.00 0.00 H new ATOM 586 N LYS A 39 14.562 -10.083 2.636 1.00 0.00 N ATOM 587 CA LYS A 39 15.428 -9.544 3.723 1.00 0.00 C ATOM 588 C LYS A 39 14.882 -8.193 4.188 1.00 0.00 C ATOM 589 O LYS A 39 15.316 -7.646 5.182 1.00 0.00 O ATOM 590 CB LYS A 39 16.854 -9.366 3.199 1.00 0.00 C ATOM 591 CG LYS A 39 17.798 -10.299 3.959 1.00 0.00 C ATOM 592 CD LYS A 39 19.136 -9.594 4.191 1.00 0.00 C ATOM 593 CE LYS A 39 20.145 -10.055 3.139 1.00 0.00 C ATOM 594 NZ LYS A 39 21.380 -9.226 3.236 1.00 0.00 N ATOM 0 H LYS A 39 14.572 -9.548 1.767 1.00 0.00 H new ATOM 0 HA LYS A 39 15.434 -10.241 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.890 -9.585 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.172 -8.331 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.355 -10.584 4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.952 -11.217 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.004 -8.513 4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.509 -9.818 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.388 -11.107 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.713 -9.967 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 22.066 -9.540 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.141 -8.227 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.796 -9.332 4.184 1.00 0.00 H new ATOM 608 N GLY A 40 13.932 -7.651 3.476 1.00 0.00 N ATOM 609 CA GLY A 40 13.358 -6.334 3.877 1.00 0.00 C ATOM 610 C GLY A 40 14.486 -5.325 4.089 1.00 0.00 C ATOM 611 O GLY A 40 14.716 -4.860 5.188 1.00 0.00 O ATOM 0 H GLY A 40 13.528 -8.062 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.675 -5.974 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.777 -6.443 4.793 1.00 0.00 H new ATOM 615 N ASN A 41 15.193 -4.980 3.048 1.00 0.00 N ATOM 616 CA ASN A 41 16.304 -3.998 3.197 1.00 0.00 C ATOM 617 C ASN A 41 16.041 -2.789 2.297 1.00 0.00 C ATOM 618 O ASN A 41 16.931 -2.288 1.637 1.00 0.00 O ATOM 619 CB ASN A 41 17.628 -4.656 2.797 1.00 0.00 C ATOM 620 CG ASN A 41 17.481 -5.321 1.427 1.00 0.00 C ATOM 621 OD1 ASN A 41 16.850 -6.351 1.304 1.00 0.00 O ATOM 622 ND2 ASN A 41 18.044 -4.771 0.386 1.00 0.00 N ATOM 0 H ASN A 41 15.050 -5.335 2.102 1.00 0.00 H new ATOM 0 HA ASN A 41 16.362 -3.672 4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.421 -3.909 2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 41 17.917 -5.397 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.954 -5.206 -0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.574 -3.906 0.490 1.00 0.00 H new ATOM 629 N LEU A 42 14.826 -2.313 2.266 1.00 0.00 N ATOM 630 CA LEU A 42 14.507 -1.135 1.412 1.00 0.00 C ATOM 631 C LEU A 42 15.302 0.076 1.900 1.00 0.00 C ATOM 632 O LEU A 42 16.056 0.675 1.166 1.00 0.00 O ATOM 633 CB LEU A 42 13.013 -0.826 1.507 1.00 0.00 C ATOM 634 CG LEU A 42 12.537 -0.197 0.196 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.839 -1.143 -0.967 1.00 0.00 C ATOM 636 CD2 LEU A 42 11.030 0.052 0.269 1.00 0.00 C ATOM 0 H LEU A 42 14.040 -2.690 2.796 1.00 0.00 H new ATOM 0 HA LEU A 42 14.770 -1.356 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.454 -1.740 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.823 -0.147 2.338 1.00 0.00 H new ATOM 0 HG LEU A 42 13.057 0.748 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.499 -0.693 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.913 -1.322 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.321 -2.089 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.690 0.500 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.512 -0.894 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.813 0.728 1.096 1.00 0.00 H new ATOM 648 N ALA A 43 15.135 0.439 3.139 1.00 0.00 N ATOM 649 CA ALA A 43 15.877 1.614 3.677 1.00 0.00 C ATOM 650 C ALA A 43 17.367 1.494 3.336 1.00 0.00 C ATOM 651 O ALA A 43 18.093 2.468 3.346 1.00 0.00 O ATOM 652 CB ALA A 43 15.705 1.669 5.197 1.00 0.00 C ATOM 0 H ALA A 43 14.517 -0.026 3.804 1.00 0.00 H new ATOM 0 HA ALA A 43 15.481 2.525 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.247 2.528 5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.647 1.764 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.099 0.755 5.641 1.00 0.00 H new ATOM 658 N ASP A 44 17.833 0.309 3.046 1.00 0.00 N ATOM 659 CA ASP A 44 19.279 0.138 2.719 1.00 0.00 C ATOM 660 C ASP A 44 19.534 0.463 1.242 1.00 0.00 C ATOM 661 O ASP A 44 20.552 1.028 0.894 1.00 0.00 O ATOM 662 CB ASP A 44 19.692 -1.309 2.997 1.00 0.00 C ATOM 663 CG ASP A 44 20.223 -1.421 4.428 1.00 0.00 C ATOM 664 OD1 ASP A 44 19.413 -1.448 5.339 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.432 -1.478 4.587 1.00 0.00 O ATOM 0 H ASP A 44 17.277 -0.546 3.021 1.00 0.00 H new ATOM 0 HA ASP A 44 19.865 0.819 3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.840 -1.974 2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.458 -1.623 2.288 1.00 0.00 H new ATOM 670 N VAL A 45 18.630 0.107 0.369 1.00 0.00 N ATOM 671 CA VAL A 45 18.846 0.398 -1.081 1.00 0.00 C ATOM 672 C VAL A 45 17.929 1.537 -1.531 1.00 0.00 C ATOM 673 O VAL A 45 18.377 2.525 -2.078 1.00 0.00 O ATOM 674 CB VAL A 45 18.550 -0.853 -1.917 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.847 -1.632 -2.141 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.544 -1.746 -1.186 1.00 0.00 C ATOM 0 H VAL A 45 17.757 -0.370 0.593 1.00 0.00 H new ATOM 0 HA VAL A 45 19.885 0.693 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 45 18.130 -0.550 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.639 -2.522 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.563 -1.002 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 45 20.265 -1.928 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 45 17.340 -2.632 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 45 17.957 -2.048 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.617 -1.195 -1.026 1.00 0.00 H new ATOM 686 N ALA A 46 16.649 1.410 -1.311 1.00 0.00 N ATOM 687 CA ALA A 46 15.709 2.487 -1.732 1.00 0.00 C ATOM 688 C ALA A 46 15.087 3.144 -0.493 1.00 0.00 C ATOM 689 O ALA A 46 13.971 2.837 -0.128 1.00 0.00 O ATOM 690 CB ALA A 46 14.602 1.882 -2.598 1.00 0.00 C ATOM 0 H ALA A 46 16.213 0.607 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 46 16.252 3.239 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.912 2.667 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.043 1.417 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.061 1.130 -2.024 1.00 0.00 H new ATOM 696 N PRO A 47 15.833 4.033 0.115 1.00 0.00 N ATOM 697 CA PRO A 47 15.376 4.753 1.318 1.00 0.00 C ATOM 698 C PRO A 47 14.137 5.595 0.996 1.00 0.00 C ATOM 699 O PRO A 47 13.903 5.963 -0.138 1.00 0.00 O ATOM 700 CB PRO A 47 16.552 5.660 1.705 1.00 0.00 C ATOM 701 CG PRO A 47 17.674 5.449 0.657 1.00 0.00 C ATOM 702 CD PRO A 47 17.187 4.390 -0.344 1.00 0.00 C ATOM 0 HA PRO A 47 15.097 4.074 2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.239 6.704 1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.911 5.415 2.705 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.899 6.384 0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.594 5.122 1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.169 4.785 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.844 3.521 -0.351 1.00 0.00 H new ATOM 710 N GLY A 48 13.348 5.906 1.988 1.00 0.00 N ATOM 711 CA GLY A 48 12.127 6.728 1.746 1.00 0.00 C ATOM 712 C GLY A 48 11.427 6.248 0.473 1.00 0.00 C ATOM 713 O GLY A 48 11.203 7.009 -0.447 1.00 0.00 O ATOM 0 H GLY A 48 13.496 5.626 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.450 6.650 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.398 7.779 1.649 1.00 0.00 H new ATOM 717 N LYS A 49 11.082 4.992 0.412 1.00 0.00 N ATOM 718 CA LYS A 49 10.396 4.467 -0.802 1.00 0.00 C ATOM 719 C LYS A 49 9.116 3.740 -0.389 1.00 0.00 C ATOM 720 O LYS A 49 9.148 2.777 0.352 1.00 0.00 O ATOM 721 CB LYS A 49 11.325 3.496 -1.532 1.00 0.00 C ATOM 722 CG LYS A 49 12.300 4.283 -2.410 1.00 0.00 C ATOM 723 CD LYS A 49 11.538 4.922 -3.573 1.00 0.00 C ATOM 724 CE LYS A 49 12.167 6.274 -3.914 1.00 0.00 C ATOM 725 NZ LYS A 49 13.230 6.085 -4.941 1.00 0.00 N ATOM 0 H LYS A 49 11.245 4.307 1.150 1.00 0.00 H new ATOM 0 HA LYS A 49 10.144 5.295 -1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.875 2.891 -0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.741 2.809 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.797 5.053 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.078 3.622 -2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.565 4.266 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.489 5.054 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.404 6.958 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.590 6.726 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.657 7.005 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.962 5.447 -4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.814 5.671 -5.799 1.00 0.00 H new ATOM 739 N SER A 50 7.989 4.195 -0.861 1.00 0.00 N ATOM 740 CA SER A 50 6.706 3.534 -0.496 1.00 0.00 C ATOM 741 C SER A 50 6.395 2.430 -1.508 1.00 0.00 C ATOM 742 O SER A 50 6.560 2.602 -2.698 1.00 0.00 O ATOM 743 CB SER A 50 5.580 4.567 -0.509 1.00 0.00 C ATOM 744 OG SER A 50 6.097 5.831 -0.116 1.00 0.00 O ATOM 0 H SER A 50 7.901 4.997 -1.485 1.00 0.00 H new ATOM 0 HA SER A 50 6.791 3.100 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.144 4.634 -1.506 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.783 4.261 0.168 1.00 0.00 H new ATOM 0 HG SER A 50 6.594 6.227 -0.862 1.00 0.00 H new ATOM 750 N ILE A 51 5.944 1.299 -1.044 1.00 0.00 N ATOM 751 CA ILE A 51 5.616 0.187 -1.978 1.00 0.00 C ATOM 752 C ILE A 51 4.095 0.092 -2.122 1.00 0.00 C ATOM 753 O ILE A 51 3.396 -0.223 -1.180 1.00 0.00 O ATOM 754 CB ILE A 51 6.156 -1.130 -1.414 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.597 -0.927 -0.927 1.00 0.00 C ATOM 756 CG2 ILE A 51 6.120 -2.205 -2.500 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.561 -0.929 -2.118 1.00 0.00 C ATOM 0 H ILE A 51 5.788 1.096 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 51 6.070 0.376 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 51 5.536 -1.448 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.677 0.016 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.868 -1.719 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.505 -3.142 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.093 -2.349 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.737 -1.892 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.581 -0.784 -1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.492 -1.883 -2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.297 -0.121 -2.801 1.00 0.00 H new ATOM 769 N GLY A 52 3.572 0.367 -3.287 1.00 0.00 N ATOM 770 CA GLY A 52 2.093 0.294 -3.465 1.00 0.00 C ATOM 771 C GLY A 52 1.748 0.274 -4.954 1.00 0.00 C ATOM 772 O GLY A 52 2.601 0.442 -5.803 1.00 0.00 O ATOM 0 H GLY A 52 4.100 0.637 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.704 -0.601 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.618 1.149 -2.984 1.00 0.00 H new ATOM 776 N GLY A 53 0.499 0.071 -5.275 1.00 0.00 N ATOM 777 CA GLY A 53 0.095 0.042 -6.710 1.00 0.00 C ATOM 778 C GLY A 53 -0.023 -1.408 -7.183 1.00 0.00 C ATOM 779 O GLY A 53 -0.233 -1.675 -8.350 1.00 0.00 O ATOM 0 H GLY A 53 -0.258 -0.076 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.857 0.556 -6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.829 0.574 -7.315 1.00 0.00 H new ATOM 783 N ASP A 54 0.108 -2.349 -6.288 1.00 0.00 N ATOM 784 CA ASP A 54 0.003 -3.780 -6.691 1.00 0.00 C ATOM 785 C ASP A 54 -1.464 -4.212 -6.653 1.00 0.00 C ATOM 786 O ASP A 54 -2.242 -3.728 -5.856 1.00 0.00 O ATOM 787 CB ASP A 54 0.817 -4.643 -5.726 1.00 0.00 C ATOM 788 CG ASP A 54 2.138 -3.942 -5.403 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.138 -3.094 -4.526 1.00 0.00 O ATOM 790 OD2 ASP A 54 3.128 -4.266 -6.040 1.00 0.00 O ATOM 0 H ASP A 54 0.283 -2.189 -5.296 1.00 0.00 H new ATOM 0 HA ASP A 54 0.392 -3.904 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.251 -4.815 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.011 -5.620 -6.170 1.00 0.00 H new ATOM 795 N ILE A 55 -1.849 -5.118 -7.508 1.00 0.00 N ATOM 796 CA ILE A 55 -3.267 -5.577 -7.521 1.00 0.00 C ATOM 797 C ILE A 55 -3.568 -6.353 -6.235 1.00 0.00 C ATOM 798 O ILE A 55 -2.761 -7.129 -5.763 1.00 0.00 O ATOM 799 CB ILE A 55 -3.497 -6.486 -8.730 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.495 -5.642 -10.007 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.846 -7.193 -8.590 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.771 -4.802 -10.068 1.00 0.00 C ATOM 0 H ILE A 55 -1.243 -5.561 -8.199 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.927 -4.712 -7.584 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.702 -7.230 -8.782 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.619 -4.993 -10.025 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.431 -6.288 -10.882 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.009 -7.840 -9.452 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.850 -7.793 -7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.642 -6.450 -8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.768 -4.202 -10.978 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.640 -5.460 -10.070 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.816 -4.145 -9.200 1.00 0.00 H new ATOM 814 N PHE A 56 -4.727 -6.151 -5.669 1.00 0.00 N ATOM 815 CA PHE A 56 -5.083 -6.879 -4.417 1.00 0.00 C ATOM 816 C PHE A 56 -6.021 -8.039 -4.755 1.00 0.00 C ATOM 817 O PHE A 56 -7.225 -7.883 -4.806 1.00 0.00 O ATOM 818 CB PHE A 56 -5.781 -5.919 -3.449 1.00 0.00 C ATOM 819 CG PHE A 56 -6.092 -6.645 -2.162 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.050 -7.111 -1.352 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.423 -6.851 -1.778 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.337 -7.783 -0.159 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.710 -7.524 -0.585 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.668 -7.990 0.226 1.00 0.00 C ATOM 0 H PHE A 56 -5.442 -5.514 -6.019 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.178 -7.268 -3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.143 -5.058 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.699 -5.538 -3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.024 -6.952 -1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.227 -6.491 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.532 -8.142 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.736 -7.684 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.890 -8.508 1.147 1.00 0.00 H new ATOM 834 N SER A 57 -5.480 -9.204 -4.988 1.00 0.00 N ATOM 835 CA SER A 57 -6.340 -10.374 -5.327 1.00 0.00 C ATOM 836 C SER A 57 -7.133 -10.808 -4.092 1.00 0.00 C ATOM 837 O SER A 57 -7.965 -11.693 -4.157 1.00 0.00 O ATOM 838 CB SER A 57 -5.464 -11.532 -5.803 1.00 0.00 C ATOM 839 OG SER A 57 -4.337 -11.652 -4.945 1.00 0.00 O ATOM 0 H SER A 57 -4.479 -9.396 -4.958 1.00 0.00 H new ATOM 0 HA SER A 57 -7.033 -10.092 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.036 -12.460 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.138 -11.359 -6.829 1.00 0.00 H new ATOM 0 HG SER A 57 -3.774 -12.395 -5.247 1.00 0.00 H new ATOM 845 N ASN A 58 -6.886 -10.196 -2.968 1.00 0.00 N ATOM 846 CA ASN A 58 -7.630 -10.578 -1.733 1.00 0.00 C ATOM 847 C ASN A 58 -7.155 -11.951 -1.254 1.00 0.00 C ATOM 848 O ASN A 58 -7.699 -12.971 -1.627 1.00 0.00 O ATOM 849 CB ASN A 58 -9.128 -10.633 -2.036 1.00 0.00 C ATOM 850 CG ASN A 58 -9.881 -9.722 -1.065 1.00 0.00 C ATOM 851 OD1 ASN A 58 -9.508 -9.601 0.086 1.00 0.00 O ATOM 852 ND2 ASN A 58 -10.933 -9.070 -1.481 1.00 0.00 N ATOM 0 H ASN A 58 -6.202 -9.448 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.444 -9.838 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.313 -10.319 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -9.490 -11.657 -1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.441 -8.460 -0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.247 -9.171 -2.446 1.00 0.00 H new ATOM 859 N ARG A 59 -6.146 -11.984 -0.427 1.00 0.00 N ATOM 860 CA ARG A 59 -5.639 -13.291 0.078 1.00 0.00 C ATOM 861 C ARG A 59 -6.812 -14.125 0.598 1.00 0.00 C ATOM 862 O ARG A 59 -6.846 -15.330 0.447 1.00 0.00 O ATOM 863 CB ARG A 59 -4.643 -13.047 1.213 1.00 0.00 C ATOM 864 CG ARG A 59 -3.962 -14.364 1.589 1.00 0.00 C ATOM 865 CD ARG A 59 -4.013 -14.550 3.106 1.00 0.00 C ATOM 866 NE ARG A 59 -3.039 -13.625 3.753 1.00 0.00 N ATOM 867 CZ ARG A 59 -3.116 -13.391 5.034 1.00 0.00 C ATOM 868 NH1 ARG A 59 -2.661 -14.269 5.887 1.00 0.00 N ATOM 869 NH2 ARG A 59 -3.646 -12.279 5.464 1.00 0.00 N ATOM 0 H ARG A 59 -5.651 -11.163 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.143 -13.827 -0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.897 -12.315 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.158 -12.632 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.459 -15.197 1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.927 -14.361 1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.020 -14.351 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.777 -15.582 3.365 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.313 -13.176 3.195 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.245 -15.138 5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.721 -14.086 6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.000 -11.592 4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.706 -12.097 6.466 1.00 0.00 H new ATOM 883 N GLU A 60 -7.776 -13.491 1.208 1.00 0.00 N ATOM 884 CA GLU A 60 -8.948 -14.245 1.737 1.00 0.00 C ATOM 885 C GLU A 60 -10.234 -13.656 1.155 1.00 0.00 C ATOM 886 O GLU A 60 -10.894 -14.268 0.338 1.00 0.00 O ATOM 887 CB GLU A 60 -8.982 -14.135 3.263 1.00 0.00 C ATOM 888 CG GLU A 60 -9.805 -15.288 3.841 1.00 0.00 C ATOM 889 CD GLU A 60 -10.299 -14.912 5.239 1.00 0.00 C ATOM 890 OE1 GLU A 60 -9.494 -14.437 6.022 1.00 0.00 O ATOM 891 OE2 GLU A 60 -11.474 -15.107 5.503 1.00 0.00 O ATOM 0 H GLU A 60 -7.803 -12.483 1.363 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.864 -15.294 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.968 -14.162 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.416 -13.180 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.652 -15.506 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.199 -16.193 3.889 1.00 0.00 H new ATOM 898 N GLY A 61 -10.595 -12.471 1.565 1.00 0.00 N ATOM 899 CA GLY A 61 -11.839 -11.844 1.032 1.00 0.00 C ATOM 900 C GLY A 61 -12.480 -10.973 2.112 1.00 0.00 C ATOM 901 O GLY A 61 -13.499 -11.318 2.676 1.00 0.00 O ATOM 0 H GLY A 61 -10.083 -11.910 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.606 -11.240 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.538 -12.616 0.711 1.00 0.00 H new ATOM 905 N LYS A 62 -11.892 -9.845 2.406 1.00 0.00 N ATOM 906 CA LYS A 62 -12.473 -8.955 3.451 1.00 0.00 C ATOM 907 C LYS A 62 -12.906 -7.631 2.815 1.00 0.00 C ATOM 908 O LYS A 62 -13.537 -6.806 3.445 1.00 0.00 O ATOM 909 CB LYS A 62 -11.426 -8.684 4.532 1.00 0.00 C ATOM 910 CG LYS A 62 -11.476 -9.794 5.584 1.00 0.00 C ATOM 911 CD LYS A 62 -10.564 -9.427 6.757 1.00 0.00 C ATOM 912 CE LYS A 62 -10.784 -10.415 7.904 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.960 -9.985 8.712 1.00 0.00 N ATOM 0 H LYS A 62 -11.037 -9.502 1.969 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.339 -9.442 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.432 -8.636 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.613 -7.717 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.499 -9.932 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.159 -10.740 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.521 -9.447 6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.776 -8.412 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.948 -11.417 7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.895 -10.462 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.110 -10.657 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.786 -9.036 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.806 -9.962 8.108 1.00 0.00 H new ATOM 927 N LEU A 63 -12.576 -7.427 1.571 1.00 0.00 N ATOM 928 CA LEU A 63 -12.971 -6.161 0.892 1.00 0.00 C ATOM 929 C LEU A 63 -14.298 -6.376 0.157 1.00 0.00 C ATOM 930 O LEU A 63 -14.574 -7.464 -0.308 1.00 0.00 O ATOM 931 CB LEU A 63 -11.893 -5.762 -0.118 1.00 0.00 C ATOM 932 CG LEU A 63 -10.630 -5.316 0.621 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.457 -5.281 -0.360 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.844 -3.917 1.205 1.00 0.00 C ATOM 0 H LEU A 63 -12.049 -8.083 0.994 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.083 -5.370 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.665 -6.604 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.258 -4.955 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.414 -6.017 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.555 -4.964 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.303 -6.276 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.676 -4.579 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.943 -3.601 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.059 -3.215 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.682 -3.938 1.901 1.00 0.00 H new ATOM 946 N PRO A 64 -15.079 -5.330 0.073 1.00 0.00 N ATOM 947 CA PRO A 64 -16.386 -5.381 -0.605 1.00 0.00 C ATOM 948 C PRO A 64 -16.204 -5.771 -2.075 1.00 0.00 C ATOM 949 O PRO A 64 -16.130 -4.928 -2.947 1.00 0.00 O ATOM 950 CB PRO A 64 -16.945 -3.956 -0.488 1.00 0.00 C ATOM 951 CG PRO A 64 -15.909 -3.105 0.292 1.00 0.00 C ATOM 952 CD PRO A 64 -14.725 -4.019 0.645 1.00 0.00 C ATOM 0 HA PRO A 64 -17.055 -6.119 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.121 -3.532 -1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.903 -3.963 0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.574 -2.262 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.356 -2.692 1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.794 -3.641 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.583 -4.083 1.724 1.00 0.00 H new ATOM 960 N GLY A 65 -16.129 -7.043 -2.356 1.00 0.00 N ATOM 961 CA GLY A 65 -15.949 -7.488 -3.768 1.00 0.00 C ATOM 962 C GLY A 65 -17.310 -7.837 -4.373 1.00 0.00 C ATOM 963 O GLY A 65 -18.298 -7.956 -3.676 1.00 0.00 O ATOM 0 H GLY A 65 -16.185 -7.794 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.472 -6.700 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.290 -8.355 -3.805 1.00 0.00 H new ATOM 967 N LYS A 66 -17.369 -8.004 -5.668 1.00 0.00 N ATOM 968 CA LYS A 66 -18.667 -8.345 -6.318 1.00 0.00 C ATOM 969 C LYS A 66 -18.405 -9.219 -7.547 1.00 0.00 C ATOM 970 O LYS A 66 -17.300 -9.670 -7.777 1.00 0.00 O ATOM 971 CB LYS A 66 -19.375 -7.058 -6.750 1.00 0.00 C ATOM 972 CG LYS A 66 -20.123 -6.461 -5.556 1.00 0.00 C ATOM 973 CD LYS A 66 -21.629 -6.500 -5.824 1.00 0.00 C ATOM 974 CE LYS A 66 -22.342 -7.147 -4.635 1.00 0.00 C ATOM 975 NZ LYS A 66 -22.563 -8.594 -4.915 1.00 0.00 N ATOM 0 H LYS A 66 -16.575 -7.919 -6.303 1.00 0.00 H new ATOM 0 HA LYS A 66 -19.297 -8.887 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.648 -6.341 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -20.072 -7.269 -7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.890 -7.021 -4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.800 -5.434 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.007 -5.490 -5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.833 -7.064 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.745 -7.028 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -23.296 -6.651 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -23.048 -9.034 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.149 -8.697 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.647 -9.062 -5.066 1.00 0.00 H new ATOM 989 N SER A 67 -19.413 -9.459 -8.342 1.00 0.00 N ATOM 990 CA SER A 67 -19.222 -10.301 -9.556 1.00 0.00 C ATOM 991 C SER A 67 -18.320 -9.566 -10.549 1.00 0.00 C ATOM 992 O SER A 67 -18.772 -8.743 -11.321 1.00 0.00 O ATOM 993 CB SER A 67 -20.578 -10.577 -10.205 1.00 0.00 C ATOM 994 OG SER A 67 -20.404 -10.740 -11.606 1.00 0.00 O ATOM 0 H SER A 67 -20.360 -9.108 -8.202 1.00 0.00 H new ATOM 0 HA SER A 67 -18.757 -11.246 -9.273 1.00 0.00 H new ATOM 0 HB2 SER A 67 -21.024 -11.474 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 67 -21.264 -9.754 -10.006 1.00 0.00 H new ATOM 0 HG SER A 67 -20.085 -9.899 -11.996 1.00 0.00 H new ATOM 1000 N GLY A 68 -17.047 -9.853 -10.537 1.00 0.00 N ATOM 1001 CA GLY A 68 -16.118 -9.168 -11.481 1.00 0.00 C ATOM 1002 C GLY A 68 -15.638 -7.855 -10.860 1.00 0.00 C ATOM 1003 O GLY A 68 -15.820 -6.791 -11.418 1.00 0.00 O ATOM 0 H GLY A 68 -16.610 -10.532 -9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.266 -9.812 -11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.623 -8.972 -12.427 1.00 0.00 H new ATOM 1007 N ARG A 69 -15.029 -7.920 -9.707 1.00 0.00 N ATOM 1008 CA ARG A 69 -14.539 -6.676 -9.052 1.00 0.00 C ATOM 1009 C ARG A 69 -13.051 -6.820 -8.726 1.00 0.00 C ATOM 1010 O ARG A 69 -12.606 -7.847 -8.253 1.00 0.00 O ATOM 1011 CB ARG A 69 -15.323 -6.440 -7.759 1.00 0.00 C ATOM 1012 CG ARG A 69 -15.171 -4.981 -7.324 1.00 0.00 C ATOM 1013 CD ARG A 69 -15.904 -4.765 -5.998 1.00 0.00 C ATOM 1014 NE ARG A 69 -16.512 -3.403 -5.977 1.00 0.00 N ATOM 1015 CZ ARG A 69 -15.882 -2.396 -6.518 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -14.975 -1.751 -5.838 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -16.160 -2.033 -7.741 1.00 0.00 N ATOM 0 H ARG A 69 -14.850 -8.782 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.682 -5.831 -9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.376 -6.676 -7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.958 -7.103 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.116 -4.731 -7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.577 -4.318 -8.088 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -16.678 -5.522 -5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.210 -4.877 -5.165 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.422 -3.258 -5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.757 -2.033 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.483 -0.964 -6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.869 -2.536 -8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.668 -1.246 -8.164 1.00 0.00 H new ATOM 1031 N THR A 70 -12.278 -5.798 -8.975 1.00 0.00 N ATOM 1032 CA THR A 70 -10.820 -5.877 -8.679 1.00 0.00 C ATOM 1033 C THR A 70 -10.474 -4.889 -7.563 1.00 0.00 C ATOM 1034 O THR A 70 -11.208 -3.957 -7.297 1.00 0.00 O ATOM 1035 CB THR A 70 -10.023 -5.524 -9.938 1.00 0.00 C ATOM 1036 OG1 THR A 70 -10.754 -5.928 -11.088 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.675 -6.245 -9.909 1.00 0.00 C ATOM 0 H THR A 70 -12.593 -4.912 -9.370 1.00 0.00 H new ATOM 0 HA THR A 70 -10.567 -6.889 -8.362 1.00 0.00 H new ATOM 0 HB THR A 70 -9.856 -4.447 -9.973 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.246 -5.701 -11.895 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.108 -5.993 -10.805 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.115 -5.935 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.839 -7.322 -9.874 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.362 -5.083 -6.905 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.976 -4.153 -5.807 1.00 0.00 C ATOM 1047 C TRP A 71 -7.515 -3.737 -5.973 1.00 0.00 C ATOM 1048 O TRP A 71 -6.797 -4.262 -6.798 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.140 -4.855 -4.457 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.535 -4.666 -3.961 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.595 -5.415 -4.332 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -11.038 -3.683 -3.010 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.721 -4.954 -3.672 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.429 -3.887 -2.845 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.430 -2.644 -2.282 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.189 -3.089 -1.991 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.193 -1.840 -1.419 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.569 -2.063 -1.274 1.00 0.00 C ATOM 0 H TRP A 71 -8.706 -5.844 -7.081 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.617 -3.272 -5.847 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.920 -5.918 -4.559 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.429 -4.450 -3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.569 -6.239 -5.030 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.653 -5.354 -3.783 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.370 -2.463 -2.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.250 -3.263 -1.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.716 -1.045 -0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.150 -1.442 -0.608 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.070 -2.802 -5.181 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.654 -2.353 -5.269 1.00 0.00 C ATOM 1071 C ARG A 72 -5.103 -2.199 -3.851 1.00 0.00 C ATOM 1072 O ARG A 72 -5.828 -1.885 -2.928 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.582 -1.013 -6.000 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.920 -1.216 -7.478 1.00 0.00 C ATOM 1075 CD ARG A 72 -6.069 0.146 -8.158 1.00 0.00 C ATOM 1076 NE ARG A 72 -6.969 0.017 -9.338 1.00 0.00 N ATOM 1077 CZ ARG A 72 -7.488 1.084 -9.882 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -6.712 2.042 -10.310 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -8.783 1.194 -9.998 1.00 0.00 N ATOM 0 H ARG A 72 -7.630 -2.327 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.064 -3.086 -5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.278 -0.305 -5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.584 -0.586 -5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.135 -1.794 -7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.844 -1.786 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.476 0.873 -7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.093 0.517 -8.471 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.180 -0.905 -9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.700 1.957 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.118 2.876 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.390 0.446 -9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.188 2.028 -10.423 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.834 -2.429 -3.661 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.265 -2.305 -2.291 1.00 0.00 C ATOM 1095 C GLU A 73 -2.098 -1.316 -2.284 1.00 0.00 C ATOM 1096 O GLU A 73 -1.485 -1.044 -3.300 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.771 -3.675 -1.823 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.548 -4.085 -2.646 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.877 -5.295 -1.997 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -1.497 -6.346 -1.964 1.00 0.00 O ATOM 1101 OE2 GLU A 73 0.247 -5.153 -1.544 1.00 0.00 O ATOM 0 H GLU A 73 -3.171 -2.695 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.041 -1.939 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.515 -3.639 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.562 -4.416 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.847 -4.326 -3.666 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.844 -3.255 -2.708 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.784 -0.784 -1.134 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.656 0.182 -1.032 1.00 0.00 C ATOM 1110 C ALA A 74 -0.013 0.049 0.351 1.00 0.00 C ATOM 1111 O ALA A 74 -0.655 -0.333 1.309 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.182 1.606 -1.217 1.00 0.00 C ATOM 0 H ALA A 74 -2.264 -0.979 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 74 0.082 -0.030 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.355 2.312 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.649 1.697 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.918 1.826 -0.443 1.00 0.00 H new ATOM 1118 N ASP A 75 1.250 0.356 0.465 1.00 0.00 N ATOM 1119 CA ASP A 75 1.924 0.242 1.789 1.00 0.00 C ATOM 1120 C ASP A 75 1.561 1.451 2.653 1.00 0.00 C ATOM 1121 O ASP A 75 1.632 2.582 2.213 1.00 0.00 O ATOM 1122 CB ASP A 75 3.440 0.195 1.587 1.00 0.00 C ATOM 1123 CG ASP A 75 3.887 -1.258 1.416 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.185 -1.998 0.749 1.00 0.00 O ATOM 1125 OD2 ASP A 75 4.925 -1.605 1.956 1.00 0.00 O ATOM 0 H ASP A 75 1.843 0.680 -0.299 1.00 0.00 H new ATOM 0 HA ASP A 75 1.595 -0.671 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.719 0.778 0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.946 0.644 2.442 1.00 0.00 H new ATOM 1130 N ILE A 76 1.171 1.225 3.877 1.00 0.00 N ATOM 1131 CA ILE A 76 0.803 2.366 4.763 1.00 0.00 C ATOM 1132 C ILE A 76 1.766 2.423 5.951 1.00 0.00 C ATOM 1133 O ILE A 76 1.928 1.463 6.678 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.627 2.177 5.271 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.603 2.313 4.101 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.944 3.243 6.320 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.541 3.740 3.551 1.00 0.00 C ATOM 0 H ILE A 76 1.091 0.301 4.302 1.00 0.00 H new ATOM 0 HA ILE A 76 0.867 3.298 4.201 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.725 1.188 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.351 1.598 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.616 2.082 4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.963 3.107 6.681 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.248 3.151 7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.846 4.233 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.236 3.839 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.814 4.445 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.529 3.954 3.207 1.00 0.00 H new ATOM 1149 N ASN A 77 2.407 3.542 6.153 1.00 0.00 N ATOM 1150 CA ASN A 77 3.360 3.663 7.293 1.00 0.00 C ATOM 1151 C ASN A 77 4.592 2.795 7.023 1.00 0.00 C ATOM 1152 O ASN A 77 4.499 1.590 6.902 1.00 0.00 O ATOM 1153 CB ASN A 77 2.679 3.194 8.581 1.00 0.00 C ATOM 1154 CG ASN A 77 1.292 3.830 8.686 1.00 0.00 C ATOM 1155 OD1 ASN A 77 1.097 4.960 8.286 1.00 0.00 O ATOM 1156 ND2 ASN A 77 0.313 3.147 9.212 1.00 0.00 N ATOM 0 H ASN A 77 2.312 4.379 5.577 1.00 0.00 H new ATOM 0 HA ASN A 77 3.665 4.704 7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.594 2.107 8.585 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.283 3.469 9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.616 3.562 9.287 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.476 2.198 9.548 1.00 0.00 H new ATOM 1163 N TYR A 78 5.746 3.398 6.935 1.00 0.00 N ATOM 1164 CA TYR A 78 6.978 2.611 6.682 1.00 0.00 C ATOM 1165 C TYR A 78 8.204 3.509 6.857 1.00 0.00 C ATOM 1166 O TYR A 78 8.215 4.652 6.442 1.00 0.00 O ATOM 1167 CB TYR A 78 6.950 2.052 5.258 1.00 0.00 C ATOM 1168 CG TYR A 78 8.242 1.325 4.978 1.00 0.00 C ATOM 1169 CD1 TYR A 78 8.486 0.079 5.568 1.00 0.00 C ATOM 1170 CD2 TYR A 78 9.199 1.898 4.132 1.00 0.00 C ATOM 1171 CE1 TYR A 78 9.685 -0.595 5.310 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.399 1.224 3.875 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.641 -0.023 4.463 1.00 0.00 C ATOM 1174 OH TYR A 78 11.823 -0.687 4.210 1.00 0.00 O ATOM 0 H TYR A 78 5.885 4.404 7.028 1.00 0.00 H new ATOM 0 HA TYR A 78 7.030 1.785 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.105 1.374 5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.813 2.861 4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.749 -0.362 6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.012 2.860 3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.873 -1.557 5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.138 1.666 3.223 1.00 0.00 H new ATOM 0 HH TYR A 78 12.021 -1.297 4.951 1.00 0.00 H new ATOM 1184 N THR A 79 9.241 3.004 7.469 1.00 0.00 N ATOM 1185 CA THR A 79 10.464 3.828 7.668 1.00 0.00 C ATOM 1186 C THR A 79 11.692 3.021 7.263 1.00 0.00 C ATOM 1187 O THR A 79 12.232 3.178 6.185 1.00 0.00 O ATOM 1188 CB THR A 79 10.579 4.223 9.143 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.693 3.425 9.915 1.00 0.00 O ATOM 1190 CG2 THR A 79 10.215 5.699 9.308 1.00 0.00 C ATOM 0 H THR A 79 9.292 2.055 7.840 1.00 0.00 H new ATOM 0 HA THR A 79 10.400 4.726 7.054 1.00 0.00 H new ATOM 0 HB THR A 79 11.602 4.064 9.484 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.766 3.675 10.860 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.297 5.979 10.358 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.896 6.310 8.715 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.192 5.862 8.968 1.00 0.00 H new ATOM 1198 N SER A 80 12.132 2.160 8.123 1.00 0.00 N ATOM 1199 CA SER A 80 13.328 1.328 7.812 1.00 0.00 C ATOM 1200 C SER A 80 13.117 -0.092 8.343 1.00 0.00 C ATOM 1201 O SER A 80 12.170 -0.364 9.054 1.00 0.00 O ATOM 1202 CB SER A 80 14.562 1.941 8.475 1.00 0.00 C ATOM 1203 OG SER A 80 14.757 1.340 9.750 1.00 0.00 O ATOM 0 H SER A 80 11.715 1.991 9.038 1.00 0.00 H new ATOM 0 HA SER A 80 13.474 1.293 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.441 1.786 7.849 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.434 3.018 8.583 1.00 0.00 H new ATOM 0 HG SER A 80 15.548 1.729 10.178 1.00 0.00 H new ATOM 1209 N GLY A 81 13.990 -0.999 8.002 1.00 0.00 N ATOM 1210 CA GLY A 81 13.840 -2.399 8.487 1.00 0.00 C ATOM 1211 C GLY A 81 12.784 -3.121 7.649 1.00 0.00 C ATOM 1212 O GLY A 81 12.252 -2.578 6.700 1.00 0.00 O ATOM 0 H GLY A 81 14.802 -0.831 7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.794 -2.923 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.550 -2.402 9.538 1.00 0.00 H new ATOM 1216 N PHE A 82 12.475 -4.343 7.990 1.00 0.00 N ATOM 1217 CA PHE A 82 11.453 -5.098 7.212 1.00 0.00 C ATOM 1218 C PHE A 82 10.207 -4.230 7.031 1.00 0.00 C ATOM 1219 O PHE A 82 10.057 -3.204 7.663 1.00 0.00 O ATOM 1220 CB PHE A 82 11.080 -6.377 7.967 1.00 0.00 C ATOM 1221 CG PHE A 82 11.940 -7.519 7.480 1.00 0.00 C ATOM 1222 CD1 PHE A 82 11.546 -8.264 6.363 1.00 0.00 C ATOM 1223 CD2 PHE A 82 13.131 -7.831 8.147 1.00 0.00 C ATOM 1224 CE1 PHE A 82 12.343 -9.324 5.912 1.00 0.00 C ATOM 1225 CE2 PHE A 82 13.928 -8.890 7.695 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.534 -9.636 6.578 1.00 0.00 C ATOM 0 H PHE A 82 12.886 -4.850 8.773 1.00 0.00 H new ATOM 0 HA PHE A 82 11.859 -5.359 6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.220 -6.233 9.038 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.026 -6.609 7.812 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.628 -8.022 5.849 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.435 -7.256 9.009 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.039 -9.900 5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.847 -9.131 8.208 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.149 -10.453 6.230 1.00 0.00 H new ATOM 1236 N ARG A 83 9.311 -4.632 6.172 1.00 0.00 N ATOM 1237 CA ARG A 83 8.077 -3.828 5.951 1.00 0.00 C ATOM 1238 C ARG A 83 7.196 -3.886 7.200 1.00 0.00 C ATOM 1239 O ARG A 83 7.534 -4.518 8.181 1.00 0.00 O ATOM 1240 CB ARG A 83 7.306 -4.397 4.757 1.00 0.00 C ATOM 1241 CG ARG A 83 8.193 -4.362 3.513 1.00 0.00 C ATOM 1242 CD ARG A 83 7.365 -4.748 2.285 1.00 0.00 C ATOM 1243 NE ARG A 83 6.976 -6.183 2.381 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.033 -6.656 1.613 1.00 0.00 C ATOM 1245 NH1 ARG A 83 4.783 -6.395 1.877 1.00 0.00 N ATOM 1246 NH2 ARG A 83 6.342 -7.390 0.579 1.00 0.00 N ATOM 0 H ARG A 83 9.381 -5.483 5.614 1.00 0.00 H new ATOM 0 HA ARG A 83 8.351 -2.792 5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.995 -5.421 4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.399 -3.817 4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.615 -3.365 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.031 -5.050 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.475 -4.122 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.941 -4.576 1.376 1.00 0.00 H new ATOM 0 HE ARG A 83 7.447 -6.796 3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.541 -5.821 2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.047 -6.765 1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.320 -7.593 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.606 -7.760 -0.022 1.00 0.00 H new ATOM 1260 N ASN A 84 6.067 -3.232 7.172 1.00 0.00 N ATOM 1261 CA ASN A 84 5.165 -3.250 8.357 1.00 0.00 C ATOM 1262 C ASN A 84 3.912 -4.066 8.030 1.00 0.00 C ATOM 1263 O ASN A 84 3.820 -4.691 6.992 1.00 0.00 O ATOM 1264 CB ASN A 84 4.761 -1.818 8.722 1.00 0.00 C ATOM 1265 CG ASN A 84 4.755 -0.945 7.465 1.00 0.00 C ATOM 1266 OD1 ASN A 84 5.783 -0.444 7.055 1.00 0.00 O ATOM 1267 ND2 ASN A 84 3.633 -0.739 6.833 1.00 0.00 N ATOM 0 H ASN A 84 5.731 -2.686 6.379 1.00 0.00 H new ATOM 0 HA ASN A 84 5.686 -3.703 9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.773 -1.815 9.183 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.456 -1.410 9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.619 -0.158 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.769 -1.159 7.177 1.00 0.00 H new ATOM 1274 N SER A 85 2.946 -4.066 8.908 1.00 0.00 N ATOM 1275 CA SER A 85 1.703 -4.843 8.648 1.00 0.00 C ATOM 1276 C SER A 85 0.552 -3.882 8.342 1.00 0.00 C ATOM 1277 O SER A 85 -0.597 -4.273 8.291 1.00 0.00 O ATOM 1278 CB SER A 85 1.354 -5.676 9.881 1.00 0.00 C ATOM 1279 OG SER A 85 2.500 -6.410 10.291 1.00 0.00 O ATOM 0 H SER A 85 2.965 -3.561 9.794 1.00 0.00 H new ATOM 0 HA SER A 85 1.862 -5.503 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.015 -5.027 10.689 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.534 -6.357 9.654 1.00 0.00 H new ATOM 0 HG SER A 85 2.280 -6.944 11.083 1.00 0.00 H new ATOM 1285 N ASP A 86 0.848 -2.628 8.137 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.234 -1.650 7.836 1.00 0.00 C ATOM 1287 C ASP A 86 -0.283 -1.384 6.331 1.00 0.00 C ATOM 1288 O ASP A 86 0.712 -1.061 5.713 1.00 0.00 O ATOM 1289 CB ASP A 86 0.039 -0.338 8.573 1.00 0.00 C ATOM 1290 CG ASP A 86 0.006 -0.582 10.083 1.00 0.00 C ATOM 1291 OD1 ASP A 86 -0.542 -1.595 10.487 1.00 0.00 O ATOM 1292 OD2 ASP A 86 0.530 0.246 10.809 1.00 0.00 O ATOM 0 H ASP A 86 1.791 -2.239 8.165 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.189 -2.060 8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.010 0.060 8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.707 0.407 8.298 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.439 -1.514 5.740 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.566 -1.270 4.274 1.00 0.00 C ATOM 1299 C ARG A 87 -2.991 -0.813 3.963 1.00 0.00 C ATOM 1300 O ARG A 87 -3.907 -1.064 4.718 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.277 -2.564 3.508 1.00 0.00 C ATOM 1302 CG ARG A 87 0.214 -2.897 3.595 1.00 0.00 C ATOM 1303 CD ARG A 87 0.695 -3.430 2.244 1.00 0.00 C ATOM 1304 NE ARG A 87 1.328 -4.769 2.426 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.051 -5.016 3.486 1.00 0.00 C ATOM 1306 NH1 ARG A 87 2.669 -4.042 4.096 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.152 -6.237 3.935 1.00 0.00 N ATOM 0 H ARG A 87 -2.304 -1.780 6.210 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.854 -0.502 3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.866 -3.382 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.574 -2.454 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.781 -2.008 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.387 -3.639 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.144 -3.505 1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.410 -2.736 1.803 1.00 0.00 H new ATOM 0 HE ARG A 87 1.196 -5.494 1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.588 -3.088 3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.233 -4.235 4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.667 -6.997 3.459 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.716 -6.431 4.762 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.193 -0.150 2.859 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.568 0.309 2.514 1.00 0.00 C ATOM 1323 C ILE A 88 -5.006 -0.344 1.200 1.00 0.00 C ATOM 1324 O ILE A 88 -4.207 -0.586 0.317 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.584 1.831 2.365 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -6.028 2.310 2.200 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.772 2.235 1.137 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -6.265 3.535 3.086 1.00 0.00 C ATOM 0 H ILE A 88 -2.469 0.093 2.183 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.256 0.023 3.309 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.146 2.286 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.222 2.560 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.720 1.513 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.785 3.320 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.743 1.894 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.207 1.780 0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.294 3.876 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.088 3.270 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.583 4.333 2.794 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.272 -0.633 1.071 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.773 -1.275 -0.179 1.00 0.00 C ATOM 1342 C LEU A 89 -7.783 -0.351 -0.864 1.00 0.00 C ATOM 1343 O LEU A 89 -8.863 -0.124 -0.360 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.473 -2.594 0.170 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.441 -3.653 0.562 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.322 -3.690 -0.478 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.854 -3.312 1.935 1.00 0.00 C ATOM 0 H LEU A 89 -6.984 -0.452 1.779 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.931 -1.463 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.173 -2.437 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.055 -2.942 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.924 -4.629 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.588 -4.445 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.740 -3.937 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.838 -2.714 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.119 -4.067 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.373 -2.335 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.652 -3.291 2.677 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.460 0.169 -2.016 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.434 1.055 -2.714 1.00 0.00 C ATOM 1361 C TYR A 90 -9.039 0.294 -3.896 1.00 0.00 C ATOM 1362 O TYR A 90 -8.363 -0.450 -4.580 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.749 2.334 -3.209 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.369 2.030 -3.741 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.300 1.836 -2.856 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.155 1.955 -5.121 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -4.020 1.566 -3.354 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.876 1.683 -5.619 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.808 1.489 -4.735 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.546 1.223 -5.226 1.00 0.00 O ATOM 0 H TYR A 90 -6.574 0.021 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.220 1.342 -2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.352 2.796 -3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.679 3.054 -2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.464 1.895 -1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.978 2.107 -5.803 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.196 1.417 -2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.713 1.623 -6.685 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.120 0.533 -4.676 1.00 0.00 H new ATOM 1380 N SER A 91 -10.314 0.458 -4.130 1.00 0.00 N ATOM 1381 CA SER A 91 -10.963 -0.274 -5.257 1.00 0.00 C ATOM 1382 C SER A 91 -11.285 0.688 -6.405 1.00 0.00 C ATOM 1383 O SER A 91 -11.100 1.885 -6.299 1.00 0.00 O ATOM 1384 CB SER A 91 -12.257 -0.919 -4.762 1.00 0.00 C ATOM 1385 OG SER A 91 -12.328 -2.256 -5.240 1.00 0.00 O ATOM 0 H SER A 91 -10.932 1.065 -3.592 1.00 0.00 H new ATOM 0 HA SER A 91 -10.278 -1.041 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.289 -0.908 -3.673 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.118 -0.349 -5.112 1.00 0.00 H new ATOM 0 HG SER A 91 -11.901 -2.857 -4.594 1.00 0.00 H new ATOM 1391 N SER A 92 -11.765 0.166 -7.503 1.00 0.00 N ATOM 1392 CA SER A 92 -12.099 1.036 -8.667 1.00 0.00 C ATOM 1393 C SER A 92 -13.253 1.967 -8.303 1.00 0.00 C ATOM 1394 O SER A 92 -13.425 3.018 -8.888 1.00 0.00 O ATOM 1395 CB SER A 92 -12.500 0.166 -9.858 1.00 0.00 C ATOM 1396 OG SER A 92 -13.091 -1.037 -9.381 1.00 0.00 O ATOM 0 H SER A 92 -11.940 -0.829 -7.643 1.00 0.00 H new ATOM 0 HA SER A 92 -11.226 1.633 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.203 0.703 -10.495 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.626 -0.061 -10.468 1.00 0.00 H new ATOM 0 HG SER A 92 -13.351 -1.597 -10.142 1.00 0.00 H new ATOM 1402 N ASP A 93 -14.037 1.593 -7.340 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.172 2.451 -6.929 1.00 0.00 C ATOM 1404 C ASP A 93 -14.697 3.417 -5.842 1.00 0.00 C ATOM 1405 O ASP A 93 -15.485 4.019 -5.140 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.316 1.583 -6.396 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.808 0.715 -5.245 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.705 0.962 -4.786 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.531 -0.181 -4.842 1.00 0.00 O ATOM 0 H ASP A 93 -13.940 0.723 -6.816 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.535 3.017 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.136 2.214 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.710 0.953 -7.194 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.408 3.568 -5.713 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.847 4.493 -4.691 1.00 0.00 C ATOM 1416 C TRP A 94 -13.115 3.962 -3.283 1.00 0.00 C ATOM 1417 O TRP A 94 -13.185 4.714 -2.331 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.465 5.881 -4.853 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.542 6.726 -5.668 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.921 7.555 -6.666 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -11.091 6.827 -5.579 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.794 8.164 -7.193 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.641 7.744 -6.555 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -10.132 6.216 -4.751 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.286 8.046 -6.705 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.770 6.516 -4.901 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.347 7.428 -5.876 1.00 0.00 C ATOM 0 H TRP A 94 -12.712 3.083 -6.280 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.769 4.561 -4.836 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.438 5.807 -5.340 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.631 6.337 -3.877 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.936 7.716 -6.998 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.812 8.839 -7.957 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.446 5.512 -3.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.966 8.752 -7.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.042 6.040 -4.260 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.297 7.653 -5.987 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.236 2.673 -3.133 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.465 2.107 -1.775 1.00 0.00 C ATOM 1440 C LEU A 95 -12.108 1.964 -1.088 1.00 0.00 C ATOM 1441 O LEU A 95 -11.261 1.209 -1.527 1.00 0.00 O ATOM 1442 CB LEU A 95 -14.129 0.732 -1.886 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.637 0.900 -2.070 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.309 -0.475 -2.064 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -16.199 1.746 -0.925 1.00 0.00 C ATOM 0 H LEU A 95 -13.187 1.989 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.118 2.764 -1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.709 0.182 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.926 0.146 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.833 1.396 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.384 -0.355 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.909 -1.079 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.113 -0.972 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -17.274 1.866 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -16.002 1.249 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.721 2.726 -0.928 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.878 2.694 -0.030 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.559 2.601 0.655 1.00 0.00 C ATOM 1459 C ILE A 96 -10.711 1.941 2.027 1.00 0.00 C ATOM 1460 O ILE A 96 -11.216 2.528 2.963 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.976 4.004 0.830 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.293 4.845 -0.410 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.460 3.905 1.003 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.739 6.259 -0.223 1.00 0.00 C ATOM 0 H ILE A 96 -12.542 3.346 0.387 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.890 1.994 0.045 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.414 4.474 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.855 4.385 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.370 4.883 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.042 4.904 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.233 3.304 1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.023 3.437 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.964 6.858 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.198 6.717 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.659 6.211 -0.083 1.00 0.00 H new ATOM 1476 N TYR A 97 -10.254 0.726 2.150 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.336 0.015 3.455 1.00 0.00 C ATOM 1478 C TYR A 97 -8.932 -0.048 4.053 1.00 0.00 C ATOM 1479 O TYR A 97 -8.034 -0.628 3.481 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.855 -1.407 3.234 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.363 -1.400 3.195 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -13.028 -1.212 1.978 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -13.097 -1.587 4.372 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.426 -1.212 1.937 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.496 -1.585 4.331 1.00 0.00 C ATOM 1486 CZ TYR A 97 -15.162 -1.397 3.113 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.541 -1.395 3.072 1.00 0.00 O ATOM 0 H TYR A 97 -9.824 0.191 1.395 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.014 0.541 4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.460 -1.807 2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.506 -2.060 4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.461 -1.067 1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.584 -1.733 5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.938 -1.069 0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -15.063 -1.729 5.239 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.895 -1.538 3.975 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.723 0.549 5.191 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.362 0.522 5.793 1.00 0.00 C ATOM 1499 C LYS A 98 -7.211 -0.712 6.686 1.00 0.00 C ATOM 1500 O LYS A 98 -8.143 -1.144 7.334 1.00 0.00 O ATOM 1501 CB LYS A 98 -7.154 1.785 6.632 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.285 1.908 7.656 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.694 1.967 9.066 1.00 0.00 C ATOM 1504 CE LYS A 98 -8.288 3.157 9.821 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.426 3.482 10.993 1.00 0.00 N ATOM 0 H LYS A 98 -9.430 1.051 5.728 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.618 0.481 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.191 1.742 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.135 2.664 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.872 2.805 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.962 1.058 7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.908 1.041 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.609 2.061 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.362 4.020 9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.299 2.922 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.829 4.291 11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.377 2.659 11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.469 3.723 10.664 1.00 0.00 H new ATOM 1519 N THR A 99 -6.036 -1.278 6.724 1.00 0.00 N ATOM 1520 CA THR A 99 -5.805 -2.480 7.575 1.00 0.00 C ATOM 1521 C THR A 99 -4.547 -2.262 8.418 1.00 0.00 C ATOM 1522 O THR A 99 -3.475 -2.016 7.898 1.00 0.00 O ATOM 1523 CB THR A 99 -5.612 -3.716 6.689 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.757 -4.637 7.350 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.986 -3.305 5.355 1.00 0.00 C ATOM 0 H THR A 99 -5.222 -0.958 6.200 1.00 0.00 H new ATOM 0 HA THR A 99 -6.667 -2.635 8.224 1.00 0.00 H new ATOM 0 HB THR A 99 -6.579 -4.182 6.502 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.155 -4.896 8.207 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.851 -4.187 4.729 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.642 -2.597 4.848 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.018 -2.837 5.536 1.00 0.00 H new ATOM 1533 N THR A 100 -4.667 -2.343 9.715 1.00 0.00 N ATOM 1534 CA THR A 100 -3.475 -2.134 10.586 1.00 0.00 C ATOM 1535 C THR A 100 -3.083 -3.457 11.247 1.00 0.00 C ATOM 1536 O THR A 100 -2.561 -3.482 12.344 1.00 0.00 O ATOM 1537 CB THR A 100 -3.810 -1.104 11.666 1.00 0.00 C ATOM 1538 OG1 THR A 100 -5.057 -0.494 11.367 1.00 0.00 O ATOM 1539 CG2 THR A 100 -2.716 -0.035 11.713 1.00 0.00 C ATOM 0 H THR A 100 -5.537 -2.544 10.209 1.00 0.00 H new ATOM 0 HA THR A 100 -2.643 -1.772 9.982 1.00 0.00 H new ATOM 0 HB THR A 100 -3.871 -1.601 12.634 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.273 0.165 12.059 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.956 0.698 12.483 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.759 -0.503 11.944 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.652 0.463 10.745 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.328 -4.556 10.588 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.966 -5.875 11.181 1.00 0.00 C ATOM 1549 C ASP A 101 -2.642 -6.865 10.061 1.00 0.00 C ATOM 1550 O ASP A 101 -2.706 -8.064 10.244 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.136 -6.409 12.012 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.457 -5.889 11.443 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.557 -5.785 10.232 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.345 -5.602 12.230 1.00 0.00 O ATOM 0 H ASP A 101 -3.762 -4.598 9.666 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.095 -5.753 11.825 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.131 -7.499 12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.029 -6.096 13.051 1.00 0.00 H new ATOM 1559 N HIS A 102 -2.296 -6.372 8.901 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.966 -7.282 7.766 1.00 0.00 C ATOM 1561 C HIS A 102 -3.260 -7.807 7.143 1.00 0.00 C ATOM 1562 O HIS A 102 -3.625 -8.953 7.317 1.00 0.00 O ATOM 1563 CB HIS A 102 -1.128 -8.458 8.273 1.00 0.00 C ATOM 1564 CG HIS A 102 0.085 -8.623 7.399 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.017 -8.540 6.017 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.403 -8.867 7.694 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.260 -8.731 5.537 1.00 0.00 C ATOM 1568 NE2 HIS A 102 2.143 -8.935 6.518 1.00 0.00 N ATOM 0 H HIS A 102 -2.228 -5.376 8.691 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.397 -6.733 7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.825 -8.284 9.305 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.722 -9.372 8.265 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.822 -8.366 5.464 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.805 -8.988 8.689 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.512 -8.721 4.487 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.954 -6.976 6.416 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.223 -7.422 5.778 1.00 0.00 C ATOM 1578 C TYR A 103 -6.044 -8.239 6.779 1.00 0.00 C ATOM 1579 O TYR A 103 -6.845 -9.072 6.406 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.901 -8.280 4.554 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.833 -7.597 3.733 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -4.153 -6.462 2.979 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.525 -8.094 3.730 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -3.163 -5.825 2.219 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.537 -7.458 2.970 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.855 -6.324 2.215 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.880 -5.696 1.467 1.00 0.00 O ATOM 0 H TYR A 103 -3.696 -6.006 6.236 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.800 -6.551 5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.560 -9.267 4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.798 -8.428 3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.162 -6.077 2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.278 -8.968 4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -3.409 -4.949 1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.528 -7.843 2.966 1.00 0.00 H new ATOM 0 HH TYR A 103 -1.289 -5.278 0.681 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.857 -8.001 8.050 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.635 -8.758 9.074 1.00 0.00 C ATOM 1599 C GLN A 104 -7.835 -7.919 9.507 1.00 0.00 C ATOM 1600 O GLN A 104 -8.795 -8.418 10.060 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.745 -9.045 10.284 1.00 0.00 C ATOM 1602 CG GLN A 104 -5.247 -10.490 10.219 1.00 0.00 C ATOM 1603 CD GLN A 104 -3.733 -10.501 10.003 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -3.268 -10.646 8.889 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -2.939 -10.352 11.027 1.00 0.00 N ATOM 0 H GLN A 104 -5.200 -7.316 8.423 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.980 -9.702 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.899 -8.358 10.298 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.303 -8.882 11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.497 -11.013 11.142 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.744 -11.021 9.407 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.329 -10.230 11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.928 -10.357 10.893 1.00 0.00 H new ATOM 1614 N THR A 105 -7.784 -6.649 9.242 1.00 0.00 N ATOM 1615 CA THR A 105 -8.911 -5.750 9.613 1.00 0.00 C ATOM 1616 C THR A 105 -9.073 -4.698 8.516 1.00 0.00 C ATOM 1617 O THR A 105 -8.106 -4.238 7.943 1.00 0.00 O ATOM 1618 CB THR A 105 -8.607 -5.063 10.947 1.00 0.00 C ATOM 1619 OG1 THR A 105 -8.635 -6.027 11.991 1.00 0.00 O ATOM 1620 CG2 THR A 105 -9.657 -3.984 11.218 1.00 0.00 C ATOM 0 H THR A 105 -7.001 -6.187 8.779 1.00 0.00 H new ATOM 0 HA THR A 105 -9.830 -6.327 9.716 1.00 0.00 H new ATOM 0 HB THR A 105 -7.620 -4.603 10.903 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.718 -6.266 12.240 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.440 -3.495 12.168 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.635 -3.245 10.417 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.645 -4.441 11.263 1.00 0.00 H new ATOM 1628 N PHE A 106 -10.281 -4.322 8.205 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.481 -3.313 7.130 1.00 0.00 C ATOM 1630 C PHE A 106 -11.477 -2.244 7.585 1.00 0.00 C ATOM 1631 O PHE A 106 -12.596 -2.540 7.955 1.00 0.00 O ATOM 1632 CB PHE A 106 -11.017 -4.014 5.881 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.931 -4.882 5.292 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.948 -4.316 4.472 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.907 -6.253 5.569 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.940 -5.121 3.928 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.900 -7.059 5.026 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.917 -6.494 4.204 1.00 0.00 C ATOM 0 H PHE A 106 -11.134 -4.667 8.646 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.529 -2.832 6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.886 -4.621 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.346 -3.277 5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.967 -3.257 4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.666 -6.689 6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.181 -4.684 3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.881 -8.117 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.141 -7.117 3.783 1.00 0.00 H new ATOM 1648 N THR A 107 -11.076 -1.003 7.552 1.00 0.00 N ATOM 1649 CA THR A 107 -11.994 0.092 7.972 1.00 0.00 C ATOM 1650 C THR A 107 -12.316 0.966 6.757 1.00 0.00 C ATOM 1651 O THR A 107 -11.441 1.358 6.013 1.00 0.00 O ATOM 1652 CB THR A 107 -11.318 0.942 9.051 1.00 0.00 C ATOM 1653 OG1 THR A 107 -10.443 0.124 9.815 1.00 0.00 O ATOM 1654 CG2 THR A 107 -12.383 1.549 9.966 1.00 0.00 C ATOM 0 H THR A 107 -10.150 -0.700 7.251 1.00 0.00 H new ATOM 0 HA THR A 107 -12.914 -0.332 8.374 1.00 0.00 H new ATOM 0 HB THR A 107 -10.748 1.743 8.580 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.008 0.666 10.505 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.901 2.154 10.734 1.00 0.00 H new ATOM 0 HG22 THR A 107 -13.054 2.176 9.378 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.954 0.750 10.439 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.566 1.268 6.547 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.939 2.110 5.374 1.00 0.00 C ATOM 1664 C LYS A 108 -13.665 3.580 5.692 1.00 0.00 C ATOM 1665 O LYS A 108 -14.347 4.192 6.490 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.426 1.921 5.066 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.808 2.768 3.850 1.00 0.00 C ATOM 1668 CD LYS A 108 -17.324 2.973 3.827 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.649 4.429 4.166 1.00 0.00 C ATOM 1670 NZ LYS A 108 -19.123 4.639 4.094 1.00 0.00 N ATOM 0 H LYS A 108 -14.345 0.970 7.134 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.347 1.812 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.637 0.870 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -16.026 2.212 5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.301 3.732 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.483 2.275 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.721 2.721 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.802 2.306 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.285 4.671 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.141 5.097 3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.344 5.629 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.458 4.424 3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.597 4.011 4.774 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.669 4.154 5.071 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.352 5.585 5.336 1.00 0.00 C ATOM 1686 C ILE A 109 -12.337 6.357 4.016 1.00 0.00 C ATOM 1687 O ILE A 109 -11.313 6.846 3.582 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.981 5.690 6.006 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.984 4.793 5.270 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -11.088 5.242 7.464 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.680 5.558 5.040 1.00 0.00 C ATOM 0 H ILE A 109 -12.063 3.693 4.393 1.00 0.00 H new ATOM 0 HA ILE A 109 -13.110 6.008 5.995 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.638 6.724 5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.791 3.892 5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.403 4.473 4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.111 5.317 7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.798 5.881 7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.432 4.208 7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.970 4.918 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.880 6.446 4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.259 5.856 6.000 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.466 6.469 3.372 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.520 7.209 2.079 1.00 0.00 C ATOM 1705 C ARG A 110 -12.661 6.483 1.041 1.00 0.00 C ATOM 1706 O ARG A 110 -12.377 5.315 1.249 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.983 8.629 2.279 1.00 0.00 C ATOM 1708 CG ARG A 110 -13.798 9.334 3.365 1.00 0.00 C ATOM 1709 CD ARG A 110 -13.003 10.524 3.906 1.00 0.00 C ATOM 1710 NE ARG A 110 -11.848 10.027 4.705 1.00 0.00 N ATOM 1711 CZ ARG A 110 -10.870 10.835 5.010 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -11.094 12.116 5.131 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -9.667 10.364 5.195 1.00 0.00 N ATOM 1714 OXT ARG A 110 -12.304 7.107 0.056 1.00 0.00 O ATOM 0 H ARG A 110 -14.355 6.079 3.686 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.552 7.256 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.931 8.595 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.043 9.187 1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -14.750 9.674 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -14.027 8.638 4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -12.649 11.144 3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -13.644 11.152 4.525 1.00 0.00 H new ATOM 0 HE ARG A 110 -11.822 9.055 5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -12.034 12.485 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.329 12.747 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.491 9.364 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.903 10.996 5.433 1.00 0.00 H new TER 1728 ARG A 110