USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 759 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 98 ASN : amide:sc= 0.608 K(o=0.61,f=-2.2) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 SER OG : rot 180:sc= -0.402 USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= -0.0239 USER MOD Set 3.1: A 39 ASN : amide:sc= 1.04 K(o=2.2,f=-2.2) USER MOD Set 3.2: A 53 THR OG1 : rot -64:sc= 1.21 USER MOD Set 4.1: A 29 ASN : amide:sc= -0.0379 K(o=-2.1,f=-10!) USER MOD Set 4.2: A 35 SER OG : rot -128:sc= -2.07! USER MOD Single : A 9 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 18 ASN : amide:sc= -0.882 X(o=-0.88,f=-0.48) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 21 ASN : amide:sc= -4.62! C(o=-4.6!,f=-5.5!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -114:sc= -2.03 (180deg=-6.23!) USER MOD Single : A 24 THR OG1 : rot -67:sc= 1.14 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.92) USER MOD Single : A 32 ASN : amide:sc= 0.22 K(o=0.22,f=-4.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 37 SER OG : rot -25:sc= 1.21 USER MOD Single : A 52 GLN : amide:sc= -0.0398 X(o=-0.04,f=-0.0096) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.676 K(o=0.68,f=-3.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.733 USER MOD Single : A 74 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 76 ASN : amide:sc= -0.0702 K(o=-0.07,f=-2.1!) USER MOD Single : A 77 SER OG : rot 29:sc= 0.567 USER MOD Single : A 78 TYR OH : rot -140:sc= 0.725 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.161 F(o=-1.1!,f=-0.16) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0302 F(o=-1.3!,f=-0.03) USER MOD Single : A 94 ASN : amide:sc= 0.0237 K(o=0.024,f=-7.2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -2.02! C(o=-2!,f=-2.3!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00199 USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 -13.086 12.807 -7.218 1.00 0.00 N ATOM 21 CA ILE A 2 -12.798 11.866 -6.149 1.00 0.00 C ATOM 22 C ILE A 2 -11.438 11.207 -6.371 1.00 0.00 C ATOM 23 O ILE A 2 -11.050 10.943 -7.515 1.00 0.00 O ATOM 24 CB ILE A 2 -13.913 10.791 -6.026 1.00 0.00 C ATOM 25 CG1 ILE A 2 -13.856 10.109 -4.655 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.800 9.748 -7.133 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.002 9.156 -4.402 1.00 0.00 C ATOM 0 HA ILE A 2 -12.768 12.422 -5.212 1.00 0.00 H new ATOM 0 HB ILE A 2 -14.873 11.297 -6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.916 9.564 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.853 10.874 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.594 9.010 -7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.894 10.236 -8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -12.831 9.252 -7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.894 8.712 -3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -15.945 9.699 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -14.994 8.369 -5.156 1.00 0.00 H new ATOM 39 N PRO A 3 -10.664 11.003 -5.298 1.00 0.00 N ATOM 40 CA PRO A 3 -9.444 10.198 -5.347 1.00 0.00 C ATOM 41 C PRO A 3 -9.764 8.726 -5.571 1.00 0.00 C ATOM 42 O PRO A 3 -10.813 8.243 -5.155 1.00 0.00 O ATOM 43 CB PRO A 3 -8.811 10.391 -3.960 1.00 0.00 C ATOM 44 CG PRO A 3 -9.514 11.565 -3.363 1.00 0.00 C ATOM 45 CD PRO A 3 -10.891 11.566 -3.959 1.00 0.00 C ATOM 0 HA PRO A 3 -8.789 10.499 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.938 9.502 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.739 10.573 -4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.558 11.483 -2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.989 12.492 -3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.585 10.959 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.310 12.571 -4.008 1.00 0.00 H new ATOM 53 N ASP A 4 -8.874 8.018 -6.243 1.00 0.00 N ATOM 54 CA ASP A 4 -9.040 6.585 -6.433 1.00 0.00 C ATOM 55 C ASP A 4 -7.754 5.876 -6.043 1.00 0.00 C ATOM 56 O ASP A 4 -6.826 5.752 -6.839 1.00 0.00 O ATOM 57 CB ASP A 4 -9.431 6.262 -7.877 1.00 0.00 C ATOM 58 CG ASP A 4 -9.699 4.784 -8.096 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.438 4.181 -7.292 1.00 0.00 O ATOM 60 OD2 ASP A 4 -9.195 4.227 -9.093 1.00 0.00 O ATOM 0 H ASP A 4 -8.032 8.408 -6.665 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.850 6.232 -5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.321 6.832 -8.144 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.633 6.585 -8.546 1.00 0.00 H new ATOM 65 N LEU A 5 -7.696 5.452 -4.793 1.00 0.00 N ATOM 66 CA LEU A 5 -6.487 4.881 -4.225 1.00 0.00 C ATOM 67 C LEU A 5 -6.271 3.457 -4.715 1.00 0.00 C ATOM 68 O LEU A 5 -6.927 2.525 -4.253 1.00 0.00 O ATOM 69 CB LEU A 5 -6.570 4.919 -2.700 1.00 0.00 C ATOM 70 CG LEU A 5 -6.742 6.317 -2.102 1.00 0.00 C ATOM 71 CD1 LEU A 5 -7.028 6.237 -0.611 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.499 7.156 -2.360 1.00 0.00 C ATOM 0 H LEU A 5 -8.482 5.493 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.633 5.475 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.406 4.297 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.664 4.472 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.594 6.794 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.146 7.243 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.944 5.670 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.199 5.740 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.634 8.148 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.634 6.676 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.337 7.245 -3.434 1.00 0.00 H new ATOM 84 N VAL A 6 -5.365 3.304 -5.666 1.00 0.00 N ATOM 85 CA VAL A 6 -5.067 2.003 -6.241 1.00 0.00 C ATOM 86 C VAL A 6 -3.707 1.496 -5.777 1.00 0.00 C ATOM 87 O VAL A 6 -2.671 2.053 -6.142 1.00 0.00 O ATOM 88 CB VAL A 6 -5.063 2.056 -7.785 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.754 0.688 -8.374 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.387 2.579 -8.314 1.00 0.00 C ATOM 0 H VAL A 6 -4.819 4.071 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.850 1.325 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.277 2.746 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.757 0.751 -9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.773 0.358 -8.032 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.510 -0.027 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.358 2.607 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.194 1.922 -7.989 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.561 3.584 -7.930 1.00 0.00 H new ATOM 100 N PRO A 7 -3.683 0.453 -4.943 1.00 0.00 N ATOM 101 CA PRO A 7 -2.452 -0.255 -4.634 1.00 0.00 C ATOM 102 C PRO A 7 -2.026 -1.100 -5.832 1.00 0.00 C ATOM 103 O PRO A 7 -2.607 -2.149 -6.118 1.00 0.00 O ATOM 104 CB PRO A 7 -2.821 -1.119 -3.432 1.00 0.00 C ATOM 105 CG PRO A 7 -4.291 -1.334 -3.555 1.00 0.00 C ATOM 106 CD PRO A 7 -4.844 -0.108 -4.231 1.00 0.00 C ATOM 0 HA PRO A 7 -1.610 0.403 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.280 -2.065 -3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.571 -0.621 -2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.505 -2.229 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.746 -1.476 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.652 -0.360 -4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.250 0.599 -3.508 1.00 0.00 H new ATOM 114 N VAL A 8 -1.030 -0.610 -6.544 1.00 0.00 N ATOM 115 CA VAL A 8 -0.666 -1.152 -7.840 1.00 0.00 C ATOM 116 C VAL A 8 0.159 -2.425 -7.703 1.00 0.00 C ATOM 117 O VAL A 8 -0.164 -3.449 -8.305 1.00 0.00 O ATOM 118 CB VAL A 8 0.119 -0.110 -8.661 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.234 -0.532 -10.112 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.542 1.254 -8.562 1.00 0.00 C ATOM 0 H VAL A 8 -0.451 0.173 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.591 -1.399 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 8 1.124 -0.045 -8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.792 0.222 -10.667 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.755 -1.487 -10.173 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.763 -0.634 -10.541 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.026 1.977 -9.148 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.560 1.194 -8.948 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.567 1.571 -7.520 1.00 0.00 H new ATOM 130 N SER A 9 1.215 -2.370 -6.905 1.00 0.00 N ATOM 131 CA SER A 9 2.083 -3.523 -6.737 1.00 0.00 C ATOM 132 C SER A 9 2.851 -3.443 -5.421 1.00 0.00 C ATOM 133 O SER A 9 2.753 -2.457 -4.687 1.00 0.00 O ATOM 134 CB SER A 9 3.054 -3.627 -7.919 1.00 0.00 C ATOM 135 OG SER A 9 3.787 -4.842 -7.879 1.00 0.00 O ATOM 0 H SER A 9 1.489 -1.547 -6.369 1.00 0.00 H new ATOM 0 HA SER A 9 1.462 -4.419 -6.709 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.499 -3.565 -8.855 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.744 -2.783 -7.901 1.00 0.00 H new ATOM 0 HG SER A 9 4.397 -4.882 -8.645 1.00 0.00 H new ATOM 141 N LEU A 10 3.614 -4.490 -5.144 1.00 0.00 N ATOM 142 CA LEU A 10 4.398 -4.608 -3.926 1.00 0.00 C ATOM 143 C LEU A 10 5.695 -5.346 -4.238 1.00 0.00 C ATOM 144 O LEU A 10 5.696 -6.558 -4.438 1.00 0.00 O ATOM 145 CB LEU A 10 3.592 -5.357 -2.858 1.00 0.00 C ATOM 146 CG LEU A 10 4.371 -5.796 -1.613 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.877 -4.601 -0.828 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.497 -6.670 -0.733 1.00 0.00 C ATOM 0 H LEU A 10 3.706 -5.292 -5.768 1.00 0.00 H new ATOM 0 HA LEU A 10 4.636 -3.617 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.767 -4.719 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.152 -6.242 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 10 5.237 -6.371 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.425 -4.947 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.538 -4.006 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.032 -3.990 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.060 -6.977 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.615 -6.109 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.187 -7.554 -1.291 1.00 0.00 H new ATOM 160 N THR A 11 6.788 -4.608 -4.311 1.00 0.00 N ATOM 161 CA THR A 11 8.064 -5.186 -4.687 1.00 0.00 C ATOM 162 C THR A 11 9.051 -5.165 -3.522 1.00 0.00 C ATOM 163 O THR A 11 9.035 -4.250 -2.697 1.00 0.00 O ATOM 164 CB THR A 11 8.668 -4.448 -5.899 1.00 0.00 C ATOM 165 OG1 THR A 11 8.459 -3.034 -5.771 1.00 0.00 O ATOM 166 CG2 THR A 11 8.051 -4.942 -7.199 1.00 0.00 C ATOM 0 H THR A 11 6.817 -3.607 -4.115 1.00 0.00 H new ATOM 0 HA THR A 11 7.880 -6.224 -4.962 1.00 0.00 H new ATOM 0 HB THR A 11 9.738 -4.655 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.847 -2.575 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.494 -4.406 -8.039 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.241 -6.010 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.976 -4.765 -7.182 1.00 0.00 H new ATOM 174 N PRO A 12 9.910 -6.189 -3.424 1.00 0.00 N ATOM 175 CA PRO A 12 9.900 -7.329 -4.336 1.00 0.00 C ATOM 176 C PRO A 12 8.921 -8.415 -3.896 1.00 0.00 C ATOM 177 O PRO A 12 8.579 -8.513 -2.719 1.00 0.00 O ATOM 178 CB PRO A 12 11.336 -7.835 -4.250 1.00 0.00 C ATOM 179 CG PRO A 12 11.764 -7.522 -2.853 1.00 0.00 C ATOM 180 CD PRO A 12 10.977 -6.306 -2.415 1.00 0.00 C ATOM 0 HA PRO A 12 9.581 -7.057 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.392 -8.905 -4.451 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.975 -7.339 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.570 -8.366 -2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.835 -7.324 -2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.567 -6.436 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.602 -5.414 -2.390 1.00 0.00 H new ATOM 188 N VAL A 13 8.488 -9.241 -4.839 1.00 0.00 N ATOM 189 CA VAL A 13 7.545 -10.317 -4.542 1.00 0.00 C ATOM 190 C VAL A 13 8.274 -11.553 -4.017 1.00 0.00 C ATOM 191 O VAL A 13 7.711 -12.643 -3.946 1.00 0.00 O ATOM 192 CB VAL A 13 6.707 -10.707 -5.780 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.859 -9.533 -6.245 1.00 0.00 C ATOM 194 CG2 VAL A 13 7.599 -11.209 -6.910 1.00 0.00 C ATOM 0 H VAL A 13 8.773 -9.189 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 13 6.871 -9.939 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 13 6.040 -11.520 -5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.276 -9.828 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.185 -9.231 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.507 -8.697 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.983 -11.476 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.300 -10.425 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.153 -12.085 -6.574 1.00 0.00 H new ATOM 204 N THR A 14 9.536 -11.380 -3.667 1.00 0.00 N ATOM 205 CA THR A 14 10.338 -12.460 -3.118 1.00 0.00 C ATOM 206 C THR A 14 11.359 -11.873 -2.138 1.00 0.00 C ATOM 207 O THR A 14 12.185 -11.045 -2.525 1.00 0.00 O ATOM 208 CB THR A 14 11.053 -13.232 -4.245 1.00 0.00 C ATOM 209 OG1 THR A 14 10.269 -13.179 -5.446 1.00 0.00 O ATOM 210 CG2 THR A 14 11.250 -14.684 -3.861 1.00 0.00 C ATOM 0 H THR A 14 10.032 -10.493 -3.754 1.00 0.00 H new ATOM 0 HA THR A 14 9.690 -13.161 -2.592 1.00 0.00 H new ATOM 0 HB THR A 14 12.025 -12.767 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.729 -13.670 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.756 -15.209 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.856 -14.742 -2.957 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.280 -15.147 -3.679 1.00 0.00 H new ATOM 218 N VAL A 15 11.298 -12.285 -0.873 1.00 0.00 N ATOM 219 CA VAL A 15 12.032 -11.592 0.185 1.00 0.00 C ATOM 220 C VAL A 15 12.881 -12.542 1.022 1.00 0.00 C ATOM 221 O VAL A 15 12.573 -13.728 1.145 1.00 0.00 O ATOM 222 CB VAL A 15 11.069 -10.839 1.122 1.00 0.00 C ATOM 223 CG1 VAL A 15 10.379 -9.698 0.391 1.00 0.00 C ATOM 224 CG2 VAL A 15 10.040 -11.793 1.707 1.00 0.00 C ATOM 0 H VAL A 15 10.753 -13.088 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 15 12.693 -10.887 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 15 11.654 -10.415 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.705 -9.183 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 15 11.128 -8.997 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.810 -10.096 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.368 -11.244 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.465 -12.248 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.548 -12.573 2.274 1.00 0.00 H new ATOM 234 N VAL A 16 13.947 -12.007 1.602 1.00 0.00 N ATOM 235 CA VAL A 16 14.837 -12.794 2.447 1.00 0.00 C ATOM 236 C VAL A 16 14.192 -13.031 3.807 1.00 0.00 C ATOM 237 O VAL A 16 13.701 -12.092 4.436 1.00 0.00 O ATOM 238 CB VAL A 16 16.197 -12.093 2.664 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.216 -13.054 3.261 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.719 -11.497 1.367 1.00 0.00 C ATOM 0 H VAL A 16 14.217 -11.029 1.503 1.00 0.00 H new ATOM 0 HA VAL A 16 15.011 -13.740 1.935 1.00 0.00 H new ATOM 0 HB VAL A 16 16.041 -11.279 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.164 -12.536 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.853 -13.418 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.361 -13.897 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.677 -11.010 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.849 -12.289 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 16 16.006 -10.764 0.990 1.00 0.00 H new ATOM 250 N PRO A 17 14.160 -14.288 4.267 1.00 0.00 N ATOM 251 CA PRO A 17 13.672 -14.626 5.599 1.00 0.00 C ATOM 252 C PRO A 17 14.674 -14.229 6.682 1.00 0.00 C ATOM 253 O PRO A 17 15.676 -13.581 6.391 1.00 0.00 O ATOM 254 CB PRO A 17 13.498 -16.154 5.558 1.00 0.00 C ATOM 255 CG PRO A 17 13.725 -16.555 4.136 1.00 0.00 C ATOM 256 CD PRO A 17 14.579 -15.481 3.529 1.00 0.00 C ATOM 0 HA PRO A 17 12.750 -14.099 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.210 -16.646 6.221 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.501 -16.443 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.220 -17.524 4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.779 -16.648 3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.642 -15.686 3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.402 -15.379 2.458 1.00 0.00 H new ATOM 264 N ASN A 18 14.374 -14.612 7.925 1.00 0.00 N ATOM 265 CA ASN A 18 15.253 -14.410 9.094 1.00 0.00 C ATOM 266 C ASN A 18 15.747 -12.965 9.257 1.00 0.00 C ATOM 267 O ASN A 18 16.692 -12.711 10.008 1.00 0.00 O ATOM 268 CB ASN A 18 16.449 -15.390 9.078 1.00 0.00 C ATOM 269 CG ASN A 18 17.555 -15.030 8.091 1.00 0.00 C ATOM 270 OD1 ASN A 18 18.474 -14.280 8.414 1.00 0.00 O ATOM 271 ND2 ASN A 18 17.498 -15.593 6.893 1.00 0.00 N ATOM 0 H ASN A 18 13.499 -15.081 8.159 1.00 0.00 H new ATOM 0 HA ASN A 18 14.629 -14.623 9.962 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.876 -15.437 10.080 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.080 -16.388 8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 18 18.230 -15.409 6.208 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.722 -16.211 6.656 1.00 0.00 H new ATOM 278 N THR A 19 15.100 -12.010 8.603 1.00 0.00 N ATOM 279 CA THR A 19 15.511 -10.622 8.713 1.00 0.00 C ATOM 280 C THR A 19 14.323 -9.686 8.526 1.00 0.00 C ATOM 281 O THR A 19 13.235 -10.117 8.131 1.00 0.00 O ATOM 282 CB THR A 19 16.615 -10.281 7.680 1.00 0.00 C ATOM 283 OG1 THR A 19 17.146 -8.972 7.931 1.00 0.00 O ATOM 284 CG2 THR A 19 16.079 -10.345 6.255 1.00 0.00 C ATOM 0 H THR A 19 14.296 -12.171 7.997 1.00 0.00 H new ATOM 0 HA THR A 19 15.917 -10.481 9.715 1.00 0.00 H new ATOM 0 HB THR A 19 17.406 -11.023 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.843 -8.770 7.273 1.00 0.00 H new ATOM 0 HG21 THR A 19 16.878 -10.101 5.555 1.00 0.00 H new ATOM 0 HG22 THR A 19 15.711 -11.350 6.050 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.264 -9.630 6.140 1.00 0.00 H new ATOM 292 N VAL A 20 14.532 -8.415 8.834 1.00 0.00 N ATOM 293 CA VAL A 20 13.525 -7.395 8.608 1.00 0.00 C ATOM 294 C VAL A 20 13.844 -6.665 7.318 1.00 0.00 C ATOM 295 O VAL A 20 14.852 -5.963 7.223 1.00 0.00 O ATOM 296 CB VAL A 20 13.460 -6.378 9.763 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.290 -5.423 9.572 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.357 -7.094 11.097 1.00 0.00 C ATOM 0 H VAL A 20 15.398 -8.066 9.244 1.00 0.00 H new ATOM 0 HA VAL A 20 12.555 -7.889 8.546 1.00 0.00 H new ATOM 0 HB VAL A 20 14.380 -5.793 9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.262 -4.713 10.398 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.411 -4.883 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.359 -5.989 9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.312 -6.360 11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.455 -7.705 11.113 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.230 -7.732 11.236 1.00 0.00 H new ATOM 308 N ASN A 21 12.999 -6.846 6.326 1.00 0.00 N ATOM 309 CA ASN A 21 13.245 -6.284 5.012 1.00 0.00 C ATOM 310 C ASN A 21 12.414 -5.030 4.790 1.00 0.00 C ATOM 311 O ASN A 21 11.452 -4.770 5.517 1.00 0.00 O ATOM 312 CB ASN A 21 12.966 -7.334 3.931 1.00 0.00 C ATOM 313 CG ASN A 21 11.571 -7.929 4.014 1.00 0.00 C ATOM 314 OD1 ASN A 21 10.586 -7.234 4.245 1.00 0.00 O ATOM 315 ND2 ASN A 21 11.492 -9.239 3.864 1.00 0.00 N ATOM 0 H ASN A 21 12.133 -7.379 6.403 1.00 0.00 H new ATOM 0 HA ASN A 21 14.294 -5.994 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.101 -6.879 2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.700 -8.135 4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.589 -9.707 3.939 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.334 -9.782 3.673 1.00 0.00 H new ATOM 322 N THR A 22 12.805 -4.248 3.798 1.00 0.00 N ATOM 323 CA THR A 22 12.113 -3.016 3.479 1.00 0.00 C ATOM 324 C THR A 22 11.446 -3.131 2.112 1.00 0.00 C ATOM 325 O THR A 22 12.085 -2.937 1.075 1.00 0.00 O ATOM 326 CB THR A 22 13.090 -1.824 3.493 1.00 0.00 C ATOM 327 OG1 THR A 22 13.919 -1.895 4.663 1.00 0.00 O ATOM 328 CG2 THR A 22 12.339 -0.502 3.485 1.00 0.00 C ATOM 0 H THR A 22 13.604 -4.449 3.197 1.00 0.00 H new ATOM 0 HA THR A 22 11.348 -2.843 4.236 1.00 0.00 H new ATOM 0 HB THR A 22 13.707 -1.876 2.596 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.541 -1.138 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.053 0.322 3.495 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.724 -0.438 2.587 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.701 -0.441 4.367 1.00 0.00 H new ATOM 336 N MET A 23 10.170 -3.481 2.117 1.00 0.00 N ATOM 337 CA MET A 23 9.430 -3.694 0.880 1.00 0.00 C ATOM 338 C MET A 23 8.726 -2.420 0.448 1.00 0.00 C ATOM 339 O MET A 23 8.342 -1.607 1.285 1.00 0.00 O ATOM 340 CB MET A 23 8.411 -4.815 1.058 1.00 0.00 C ATOM 341 CG MET A 23 9.036 -6.146 1.431 1.00 0.00 C ATOM 342 SD MET A 23 7.821 -7.469 1.532 1.00 0.00 S ATOM 343 CE MET A 23 7.185 -7.462 -0.139 1.00 0.00 C ATOM 0 H MET A 23 9.622 -3.624 2.965 1.00 0.00 H new ATOM 0 HA MET A 23 10.141 -3.979 0.104 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.698 -4.528 1.831 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.848 -4.934 0.133 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.794 -6.408 0.693 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.545 -6.049 2.390 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.140 -7.152 -0.129 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.765 -6.766 -0.746 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.262 -8.464 -0.562 1.00 0.00 H new ATOM 353 N THR A 24 8.544 -2.261 -0.852 1.00 0.00 N ATOM 354 CA THR A 24 7.980 -1.040 -1.394 1.00 0.00 C ATOM 355 C THR A 24 6.660 -1.308 -2.119 1.00 0.00 C ATOM 356 O THR A 24 6.625 -2.022 -3.125 1.00 0.00 O ATOM 357 CB THR A 24 8.969 -0.384 -2.372 1.00 0.00 C ATOM 358 OG1 THR A 24 10.303 -0.486 -1.858 1.00 0.00 O ATOM 359 CG2 THR A 24 8.625 1.079 -2.586 1.00 0.00 C ATOM 0 H THR A 24 8.780 -2.965 -1.552 1.00 0.00 H new ATOM 0 HA THR A 24 7.788 -0.369 -0.557 1.00 0.00 H new ATOM 0 HB THR A 24 8.901 -0.905 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.386 0.064 -1.051 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.338 1.522 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.619 1.160 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.671 1.607 -1.633 1.00 0.00 H new ATOM 367 N ALA A 25 5.576 -0.748 -1.599 1.00 0.00 N ATOM 368 CA ALA A 25 4.279 -0.858 -2.243 1.00 0.00 C ATOM 369 C ALA A 25 3.995 0.379 -3.081 1.00 0.00 C ATOM 370 O ALA A 25 4.206 1.507 -2.638 1.00 0.00 O ATOM 371 CB ALA A 25 3.183 -1.064 -1.209 1.00 0.00 C ATOM 0 H ALA A 25 5.572 -0.212 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 25 4.295 -1.726 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.219 -1.144 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.378 -1.979 -0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.166 -0.217 -0.524 1.00 0.00 H new ATOM 377 N THR A 26 3.524 0.160 -4.294 1.00 0.00 N ATOM 378 CA THR A 26 3.205 1.250 -5.195 1.00 0.00 C ATOM 379 C THR A 26 1.747 1.654 -5.031 1.00 0.00 C ATOM 380 O THR A 26 0.853 0.981 -5.540 1.00 0.00 O ATOM 381 CB THR A 26 3.444 0.851 -6.665 1.00 0.00 C ATOM 382 OG1 THR A 26 4.665 0.110 -6.783 1.00 0.00 O ATOM 383 CG2 THR A 26 3.512 2.083 -7.557 1.00 0.00 C ATOM 0 H THR A 26 3.353 -0.769 -4.679 1.00 0.00 H new ATOM 0 HA THR A 26 3.859 2.085 -4.944 1.00 0.00 H new ATOM 0 HB THR A 26 2.608 0.230 -6.987 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.807 -0.140 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.681 1.776 -8.589 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.573 2.632 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.331 2.724 -7.230 1.00 0.00 H new ATOM 391 N ILE A 27 1.498 2.724 -4.296 1.00 0.00 N ATOM 392 CA ILE A 27 0.139 3.226 -4.142 1.00 0.00 C ATOM 393 C ILE A 27 -0.079 4.376 -5.111 1.00 0.00 C ATOM 394 O ILE A 27 0.536 5.429 -4.972 1.00 0.00 O ATOM 395 CB ILE A 27 -0.141 3.709 -2.699 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.363 2.685 -1.675 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.628 3.968 -2.503 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.218 1.297 -1.843 1.00 0.00 C ATOM 0 H ILE A 27 2.210 3.259 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.548 2.408 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 27 0.398 4.643 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.449 2.622 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.129 3.045 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.807 4.307 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.959 4.735 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.184 3.048 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.191 0.636 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.302 1.342 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.038 0.912 -2.830 1.00 0.00 H new ATOM 410 N GLU A 28 -0.919 4.165 -6.112 1.00 0.00 N ATOM 411 CA GLU A 28 -1.141 5.173 -7.135 1.00 0.00 C ATOM 412 C GLU A 28 -2.602 5.614 -7.164 1.00 0.00 C ATOM 413 O GLU A 28 -3.514 4.792 -7.148 1.00 0.00 O ATOM 414 CB GLU A 28 -0.704 4.623 -8.492 1.00 0.00 C ATOM 415 CG GLU A 28 -0.813 5.612 -9.635 1.00 0.00 C ATOM 416 CD GLU A 28 0.021 5.202 -10.829 1.00 0.00 C ATOM 417 OE1 GLU A 28 -0.354 4.235 -11.518 1.00 0.00 O ATOM 418 OE2 GLU A 28 1.058 5.850 -11.085 1.00 0.00 O ATOM 0 H GLU A 28 -1.457 3.307 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.544 6.054 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.330 4.286 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.309 3.747 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.857 5.702 -9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.494 6.597 -9.293 1.00 0.00 H new ATOM 425 N ASN A 29 -2.808 6.921 -7.188 1.00 0.00 N ATOM 426 CA ASN A 29 -4.148 7.500 -7.206 1.00 0.00 C ATOM 427 C ASN A 29 -4.646 7.607 -8.641 1.00 0.00 C ATOM 428 O ASN A 29 -4.099 8.361 -9.432 1.00 0.00 O ATOM 429 CB ASN A 29 -4.114 8.890 -6.554 1.00 0.00 C ATOM 430 CG ASN A 29 -5.474 9.561 -6.420 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.421 9.267 -7.149 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.566 10.497 -5.491 1.00 0.00 N ATOM 0 H ASN A 29 -2.057 7.611 -7.196 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.828 6.858 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.668 8.801 -5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.461 9.536 -7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.443 11.002 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.760 10.714 -4.905 1.00 0.00 H new ATOM 439 N GLN A 30 -5.675 6.854 -8.979 1.00 0.00 N ATOM 440 CA GLN A 30 -6.238 6.898 -10.320 1.00 0.00 C ATOM 441 C GLN A 30 -7.507 7.740 -10.345 1.00 0.00 C ATOM 442 O GLN A 30 -8.557 7.295 -10.802 1.00 0.00 O ATOM 443 CB GLN A 30 -6.526 5.484 -10.830 1.00 0.00 C ATOM 444 CG GLN A 30 -5.270 4.668 -11.100 1.00 0.00 C ATOM 445 CD GLN A 30 -4.382 5.299 -12.155 1.00 0.00 C ATOM 446 OE1 GLN A 30 -4.859 5.997 -13.050 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.088 5.053 -12.068 1.00 0.00 N ATOM 0 H GLN A 30 -6.140 6.204 -8.346 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.505 7.362 -10.981 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.139 4.960 -10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.111 5.549 -11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.706 4.558 -10.174 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.554 3.666 -11.421 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.729 4.470 -11.312 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.447 5.446 -12.757 1.00 0.00 H new ATOM 456 N GLY A 31 -7.395 8.974 -9.882 1.00 0.00 N ATOM 457 CA GLY A 31 -8.547 9.844 -9.809 1.00 0.00 C ATOM 458 C GLY A 31 -8.186 11.277 -10.115 1.00 0.00 C ATOM 459 O GLY A 31 -7.058 11.560 -10.521 1.00 0.00 O ATOM 0 H GLY A 31 -6.523 9.390 -9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.306 9.502 -10.512 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.985 9.784 -8.813 1.00 0.00 H new ATOM 463 N ASN A 32 -9.133 12.183 -9.929 1.00 0.00 N ATOM 464 CA ASN A 32 -8.928 13.579 -10.305 1.00 0.00 C ATOM 465 C ASN A 32 -8.895 14.491 -9.088 1.00 0.00 C ATOM 466 O ASN A 32 -8.857 15.714 -9.217 1.00 0.00 O ATOM 467 CB ASN A 32 -10.001 14.039 -11.300 1.00 0.00 C ATOM 468 CG ASN A 32 -11.422 13.969 -10.762 1.00 0.00 C ATOM 469 OD1 ASN A 32 -11.739 13.183 -9.865 1.00 0.00 O ATOM 470 ND2 ASN A 32 -12.295 14.782 -11.335 1.00 0.00 N ATOM 0 H ASN A 32 -10.047 11.982 -9.523 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.955 13.646 -10.791 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.788 15.065 -11.598 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.934 13.426 -12.198 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.271 14.774 -11.038 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.992 15.417 -12.073 1.00 0.00 H new ATOM 477 N LYS A 33 -8.910 13.899 -7.905 1.00 0.00 N ATOM 478 CA LYS A 33 -8.707 14.660 -6.686 1.00 0.00 C ATOM 479 C LYS A 33 -7.518 14.099 -5.922 1.00 0.00 C ATOM 480 O LYS A 33 -7.397 12.882 -5.746 1.00 0.00 O ATOM 481 CB LYS A 33 -9.951 14.657 -5.792 1.00 0.00 C ATOM 482 CG LYS A 33 -9.770 15.497 -4.532 1.00 0.00 C ATOM 483 CD LYS A 33 -10.968 15.417 -3.600 1.00 0.00 C ATOM 484 CE LYS A 33 -10.707 16.192 -2.317 1.00 0.00 C ATOM 485 NZ LYS A 33 -11.838 16.096 -1.359 1.00 0.00 N ATOM 0 H LYS A 33 -9.060 12.900 -7.764 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.511 15.694 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.802 15.037 -6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.188 13.631 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.879 15.162 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.602 16.537 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.850 15.818 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.182 14.375 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.801 15.813 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.527 17.239 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.614 16.640 -0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.698 16.482 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.995 15.100 -1.106 1.00 0.00 H new ATOM 499 N ASP A 34 -6.647 14.986 -5.480 1.00 0.00 N ATOM 500 CA ASP A 34 -5.455 14.592 -4.750 1.00 0.00 C ATOM 501 C ASP A 34 -5.840 14.164 -3.342 1.00 0.00 C ATOM 502 O ASP A 34 -6.606 14.849 -2.663 1.00 0.00 O ATOM 503 CB ASP A 34 -4.450 15.750 -4.691 1.00 0.00 C ATOM 504 CG ASP A 34 -4.118 16.315 -6.061 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.260 15.737 -6.763 1.00 0.00 O ATOM 506 OD2 ASP A 34 -4.720 17.340 -6.450 1.00 0.00 O ATOM 0 H ASP A 34 -6.743 15.992 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.985 13.756 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.855 16.545 -4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.533 15.404 -4.214 1.00 0.00 H new ATOM 511 N SER A 35 -5.328 13.027 -2.911 1.00 0.00 N ATOM 512 CA SER A 35 -5.656 12.501 -1.600 1.00 0.00 C ATOM 513 C SER A 35 -4.636 12.947 -0.557 1.00 0.00 C ATOM 514 O SER A 35 -3.430 12.979 -0.818 1.00 0.00 O ATOM 515 CB SER A 35 -5.754 10.977 -1.655 1.00 0.00 C ATOM 516 OG SER A 35 -4.711 10.425 -2.437 1.00 0.00 O ATOM 0 H SER A 35 -4.683 12.450 -3.450 1.00 0.00 H new ATOM 0 HA SER A 35 -6.625 12.900 -1.301 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.709 10.570 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.718 10.687 -2.073 1.00 0.00 H new ATOM 0 HG SER A 35 -5.091 9.822 -3.110 1.00 0.00 H new ATOM 522 N THR A 36 -5.138 13.302 0.613 1.00 0.00 N ATOM 523 CA THR A 36 -4.309 13.767 1.710 1.00 0.00 C ATOM 524 C THR A 36 -3.717 12.593 2.494 1.00 0.00 C ATOM 525 O THR A 36 -3.720 11.460 2.011 1.00 0.00 O ATOM 526 CB THR A 36 -5.140 14.670 2.637 1.00 0.00 C ATOM 527 OG1 THR A 36 -6.475 14.149 2.755 1.00 0.00 O ATOM 528 CG2 THR A 36 -5.186 16.094 2.106 1.00 0.00 C ATOM 0 H THR A 36 -6.135 13.276 0.829 1.00 0.00 H new ATOM 0 HA THR A 36 -3.478 14.340 1.298 1.00 0.00 H new ATOM 0 HB THR A 36 -4.668 14.685 3.619 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.000 14.726 3.348 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.779 16.714 2.778 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.173 16.492 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.639 16.098 1.114 1.00 0.00 H new ATOM 536 N SER A 37 -3.191 12.872 3.685 1.00 0.00 N ATOM 537 CA SER A 37 -2.579 11.848 4.520 1.00 0.00 C ATOM 538 C SER A 37 -3.552 10.708 4.817 1.00 0.00 C ATOM 539 O SER A 37 -4.627 10.922 5.377 1.00 0.00 O ATOM 540 CB SER A 37 -2.082 12.474 5.823 1.00 0.00 C ATOM 541 OG SER A 37 -1.208 13.561 5.557 1.00 0.00 O ATOM 0 H SER A 37 -3.178 13.807 4.093 1.00 0.00 H new ATOM 0 HA SER A 37 -1.735 11.425 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.931 12.820 6.413 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.564 11.722 6.419 1.00 0.00 H new ATOM 0 HG SER A 37 -0.791 13.438 4.679 1.00 0.00 H new ATOM 547 N PHE A 38 -3.163 9.501 4.433 1.00 0.00 N ATOM 548 CA PHE A 38 -3.991 8.323 4.645 1.00 0.00 C ATOM 549 C PHE A 38 -3.151 7.180 5.213 1.00 0.00 C ATOM 550 O PHE A 38 -1.941 7.118 4.992 1.00 0.00 O ATOM 551 CB PHE A 38 -4.670 7.899 3.334 1.00 0.00 C ATOM 552 CG PHE A 38 -3.715 7.497 2.244 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.035 8.453 1.504 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.497 6.161 1.958 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.153 8.080 0.509 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.620 5.787 0.961 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.949 6.742 0.238 1.00 0.00 C ATOM 0 H PHE A 38 -2.274 9.311 3.970 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.769 8.570 5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.341 7.065 3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.287 8.723 2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.197 9.501 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.019 5.402 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.624 8.833 -0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.461 4.740 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.262 6.447 -0.542 1.00 0.00 H new ATOM 567 N ASN A 39 -3.794 6.280 5.937 1.00 0.00 N ATOM 568 CA ASN A 39 -3.092 5.188 6.603 1.00 0.00 C ATOM 569 C ASN A 39 -3.083 3.931 5.742 1.00 0.00 C ATOM 570 O ASN A 39 -4.124 3.331 5.495 1.00 0.00 O ATOM 571 CB ASN A 39 -3.746 4.880 7.955 1.00 0.00 C ATOM 572 CG ASN A 39 -3.494 5.958 8.990 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.427 6.573 9.022 1.00 0.00 O ATOM 574 ND2 ASN A 39 -4.483 6.208 9.837 1.00 0.00 N ATOM 0 H ASN A 39 -4.804 6.281 6.081 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.061 5.505 6.763 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.820 4.762 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.367 3.929 8.328 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.375 6.932 10.548 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.352 5.677 9.778 1.00 0.00 H new ATOM 581 N VAL A 40 -1.907 3.532 5.292 1.00 0.00 N ATOM 582 CA VAL A 40 -1.764 2.305 4.525 1.00 0.00 C ATOM 583 C VAL A 40 -1.173 1.211 5.406 1.00 0.00 C ATOM 584 O VAL A 40 -0.133 1.396 6.040 1.00 0.00 O ATOM 585 CB VAL A 40 -0.915 2.526 3.244 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.059 1.316 2.916 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.823 2.829 2.072 1.00 0.00 C ATOM 0 H VAL A 40 -1.035 4.040 5.444 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.753 1.988 4.193 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.250 3.369 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.519 1.513 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.620 1.115 3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.700 0.450 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.222 2.983 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.503 1.992 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.399 3.730 2.282 1.00 0.00 H new ATOM 597 N SER A 41 -1.864 0.085 5.474 1.00 0.00 N ATOM 598 CA SER A 41 -1.450 -1.016 6.325 1.00 0.00 C ATOM 599 C SER A 41 -1.035 -2.216 5.487 1.00 0.00 C ATOM 600 O SER A 41 -1.672 -2.527 4.480 1.00 0.00 O ATOM 601 CB SER A 41 -2.598 -1.412 7.254 1.00 0.00 C ATOM 602 OG SER A 41 -3.159 -0.274 7.886 1.00 0.00 O ATOM 0 H SER A 41 -2.719 -0.090 4.946 1.00 0.00 H new ATOM 0 HA SER A 41 -0.595 -0.692 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.368 -1.932 6.684 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.235 -2.109 8.009 1.00 0.00 H new ATOM 0 HG SER A 41 -3.892 -0.554 8.473 1.00 0.00 H new ATOM 608 N LEU A 42 0.031 -2.882 5.895 1.00 0.00 N ATOM 609 CA LEU A 42 0.445 -4.109 5.240 1.00 0.00 C ATOM 610 C LEU A 42 0.043 -5.301 6.090 1.00 0.00 C ATOM 611 O LEU A 42 0.498 -5.450 7.230 1.00 0.00 O ATOM 612 CB LEU A 42 1.953 -4.133 4.990 1.00 0.00 C ATOM 613 CG LEU A 42 2.455 -5.387 4.262 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.846 -5.483 2.873 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.970 -5.390 4.178 1.00 0.00 C ATOM 0 H LEU A 42 0.623 -2.595 6.674 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.053 -4.160 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.226 -3.255 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.469 -4.052 5.947 1.00 0.00 H new ATOM 0 HG LEU A 42 2.141 -6.259 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.216 -6.379 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.760 -5.535 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.125 -4.604 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.304 -6.288 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.306 -4.508 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.390 -5.376 5.184 1.00 0.00 H new ATOM 627 N LEU A 43 -0.825 -6.131 5.545 1.00 0.00 N ATOM 628 CA LEU A 43 -1.296 -7.306 6.250 1.00 0.00 C ATOM 629 C LEU A 43 -0.659 -8.563 5.678 1.00 0.00 C ATOM 630 O LEU A 43 -0.522 -8.705 4.468 1.00 0.00 O ATOM 631 CB LEU A 43 -2.824 -7.427 6.160 1.00 0.00 C ATOM 632 CG LEU A 43 -3.628 -6.251 6.724 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.819 -5.167 5.676 1.00 0.00 C ATOM 634 CD2 LEU A 43 -4.970 -6.736 7.251 1.00 0.00 C ATOM 0 H LEU A 43 -1.220 -6.012 4.612 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.011 -7.199 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.097 -7.558 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.128 -8.333 6.684 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.066 -5.817 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.393 -4.345 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.846 -4.800 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.356 -5.578 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.532 -5.891 7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.534 -7.197 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.807 -7.468 8.042 1.00 0.00 H new ATOM 646 N VAL A 44 -0.258 -9.464 6.551 1.00 0.00 N ATOM 647 CA VAL A 44 0.199 -10.774 6.137 1.00 0.00 C ATOM 648 C VAL A 44 -0.920 -11.776 6.356 1.00 0.00 C ATOM 649 O VAL A 44 -1.173 -12.201 7.489 1.00 0.00 O ATOM 650 CB VAL A 44 1.469 -11.221 6.895 1.00 0.00 C ATOM 651 CG1 VAL A 44 1.815 -12.670 6.574 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.636 -10.318 6.542 1.00 0.00 C ATOM 0 H VAL A 44 -0.240 -9.311 7.559 1.00 0.00 H new ATOM 0 HA VAL A 44 0.464 -10.723 5.081 1.00 0.00 H new ATOM 0 HB VAL A 44 1.270 -11.145 7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.713 -12.959 7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.987 -13.315 6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.993 -12.773 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.525 -10.644 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.825 -10.370 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.398 -9.291 6.820 1.00 0.00 H new ATOM 662 N ASP A 45 -1.611 -12.100 5.267 1.00 0.00 N ATOM 663 CA ASP A 45 -2.767 -12.993 5.284 1.00 0.00 C ATOM 664 C ASP A 45 -3.944 -12.326 5.993 1.00 0.00 C ATOM 665 O ASP A 45 -4.872 -11.838 5.345 1.00 0.00 O ATOM 666 CB ASP A 45 -2.423 -14.337 5.938 1.00 0.00 C ATOM 667 CG ASP A 45 -3.416 -15.426 5.586 1.00 0.00 C ATOM 668 OD1 ASP A 45 -4.448 -15.546 6.274 1.00 0.00 O ATOM 669 OD2 ASP A 45 -3.158 -16.179 4.621 1.00 0.00 O ATOM 0 H ASP A 45 -1.382 -11.747 4.338 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.055 -13.195 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.425 -14.645 5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.393 -14.213 7.021 1.00 0.00 H new ATOM 674 N GLY A 46 -3.883 -12.278 7.314 1.00 0.00 N ATOM 675 CA GLY A 46 -4.936 -11.646 8.087 1.00 0.00 C ATOM 676 C GLY A 46 -4.402 -10.778 9.214 1.00 0.00 C ATOM 677 O GLY A 46 -5.162 -10.058 9.864 1.00 0.00 O ATOM 0 H GLY A 46 -3.120 -12.667 7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.550 -11.036 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.585 -12.416 8.504 1.00 0.00 H new ATOM 681 N ILE A 47 -3.096 -10.832 9.445 1.00 0.00 N ATOM 682 CA ILE A 47 -2.482 -10.064 10.525 1.00 0.00 C ATOM 683 C ILE A 47 -1.840 -8.804 9.968 1.00 0.00 C ATOM 684 O ILE A 47 -1.354 -8.798 8.844 1.00 0.00 O ATOM 685 CB ILE A 47 -1.390 -10.872 11.253 1.00 0.00 C ATOM 686 CG1 ILE A 47 -1.810 -12.338 11.412 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.094 -10.256 12.615 1.00 0.00 C ATOM 688 CD1 ILE A 47 -0.711 -13.230 11.950 1.00 0.00 C ATOM 0 H ILE A 47 -2.442 -11.397 8.902 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.274 -9.817 11.232 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.483 -10.840 10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.669 -12.390 12.081 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.136 -12.721 10.445 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.321 -10.838 13.117 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.749 -9.231 12.483 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.001 -10.259 13.220 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.081 -14.252 12.036 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.141 -13.208 11.270 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.401 -12.873 12.932 1.00 0.00 H new ATOM 700 N VAL A 48 -1.818 -7.751 10.759 1.00 0.00 N ATOM 701 CA VAL A 48 -1.217 -6.495 10.334 1.00 0.00 C ATOM 702 C VAL A 48 0.200 -6.395 10.883 1.00 0.00 C ATOM 703 O VAL A 48 0.404 -6.451 12.093 1.00 0.00 O ATOM 704 CB VAL A 48 -2.032 -5.272 10.805 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.415 -3.982 10.289 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.481 -5.383 10.358 1.00 0.00 C ATOM 0 H VAL A 48 -2.209 -7.736 11.701 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.205 -6.490 9.244 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.010 -5.252 11.895 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.006 -3.133 10.633 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.396 -3.891 10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.401 -3.996 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.036 -4.510 10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.523 -5.435 9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.924 -6.284 10.782 1.00 0.00 H new ATOM 716 N VAL A 49 1.175 -6.263 9.997 1.00 0.00 N ATOM 717 CA VAL A 49 2.569 -6.220 10.421 1.00 0.00 C ATOM 718 C VAL A 49 3.129 -4.801 10.375 1.00 0.00 C ATOM 719 O VAL A 49 4.020 -4.453 11.150 1.00 0.00 O ATOM 720 CB VAL A 49 3.460 -7.160 9.574 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.053 -8.610 9.789 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.398 -6.799 8.096 1.00 0.00 C ATOM 0 H VAL A 49 1.031 -6.184 8.990 1.00 0.00 H new ATOM 0 HA VAL A 49 2.585 -6.568 11.454 1.00 0.00 H new ATOM 0 HB VAL A 49 4.491 -7.033 9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.688 -9.259 9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.166 -8.867 10.842 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.013 -8.744 9.492 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.035 -7.478 7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.370 -6.885 7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.745 -5.775 7.957 1.00 0.00 H new ATOM 732 N ASP A 50 2.592 -3.978 9.483 1.00 0.00 N ATOM 733 CA ASP A 50 3.084 -2.614 9.322 1.00 0.00 C ATOM 734 C ASP A 50 1.927 -1.675 9.003 1.00 0.00 C ATOM 735 O ASP A 50 0.930 -2.087 8.407 1.00 0.00 O ATOM 736 CB ASP A 50 4.130 -2.559 8.202 1.00 0.00 C ATOM 737 CG ASP A 50 5.085 -1.388 8.341 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.623 -0.233 8.417 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.312 -1.623 8.399 1.00 0.00 O ATOM 0 H ASP A 50 1.821 -4.228 8.864 1.00 0.00 H new ATOM 0 HA ASP A 50 3.550 -2.296 10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.700 -3.488 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.622 -2.494 7.240 1.00 0.00 H new ATOM 744 N THR A 51 2.051 -0.425 9.414 1.00 0.00 N ATOM 745 CA THR A 51 1.043 0.586 9.140 1.00 0.00 C ATOM 746 C THR A 51 1.703 1.954 9.022 1.00 0.00 C ATOM 747 O THR A 51 2.192 2.501 10.010 1.00 0.00 O ATOM 748 CB THR A 51 -0.028 0.636 10.247 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.538 -0.680 10.497 1.00 0.00 O ATOM 750 CG2 THR A 51 -1.174 1.557 9.845 1.00 0.00 C ATOM 0 H THR A 51 2.851 -0.082 9.946 1.00 0.00 H new ATOM 0 HA THR A 51 0.555 0.320 8.202 1.00 0.00 H new ATOM 0 HB THR A 51 0.435 1.025 11.154 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.217 -0.639 11.203 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.920 1.578 10.640 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.791 2.564 9.680 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.632 1.188 8.927 1.00 0.00 H new ATOM 758 N GLN A 52 1.725 2.499 7.819 1.00 0.00 N ATOM 759 CA GLN A 52 2.382 3.773 7.589 1.00 0.00 C ATOM 760 C GLN A 52 1.367 4.832 7.185 1.00 0.00 C ATOM 761 O GLN A 52 0.454 4.567 6.400 1.00 0.00 O ATOM 762 CB GLN A 52 3.442 3.648 6.495 1.00 0.00 C ATOM 763 CG GLN A 52 4.443 4.791 6.501 1.00 0.00 C ATOM 764 CD GLN A 52 4.878 5.202 5.112 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.836 4.664 4.564 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.187 6.175 4.539 1.00 0.00 N ATOM 0 H GLN A 52 1.299 2.083 6.991 1.00 0.00 H new ATOM 0 HA GLN A 52 2.864 4.071 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.975 2.706 6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.950 3.609 5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.002 5.650 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.319 4.496 7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.397 6.596 5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.444 6.504 3.608 1.00 0.00 H new ATOM 775 N THR A 53 1.523 6.023 7.729 1.00 0.00 N ATOM 776 CA THR A 53 0.706 7.146 7.328 1.00 0.00 C ATOM 777 C THR A 53 1.345 7.835 6.129 1.00 0.00 C ATOM 778 O THR A 53 2.377 8.491 6.253 1.00 0.00 O ATOM 779 CB THR A 53 0.532 8.154 8.481 1.00 0.00 C ATOM 780 OG1 THR A 53 0.062 7.476 9.656 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.452 9.254 8.102 1.00 0.00 C ATOM 0 H THR A 53 2.211 6.236 8.452 1.00 0.00 H new ATOM 0 HA THR A 53 -0.282 6.773 7.058 1.00 0.00 H new ATOM 0 HB THR A 53 1.502 8.610 8.682 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.832 7.111 9.488 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.556 9.951 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.083 9.787 7.226 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.422 8.812 7.876 1.00 0.00 H new ATOM 789 N VAL A 54 0.743 7.660 4.966 1.00 0.00 N ATOM 790 CA VAL A 54 1.254 8.269 3.754 1.00 0.00 C ATOM 791 C VAL A 54 0.866 9.738 3.744 1.00 0.00 C ATOM 792 O VAL A 54 -0.301 10.077 3.926 1.00 0.00 O ATOM 793 CB VAL A 54 0.707 7.569 2.493 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.351 8.135 1.236 1.00 0.00 C ATOM 795 CG2 VAL A 54 0.925 6.064 2.579 1.00 0.00 C ATOM 0 H VAL A 54 -0.100 7.101 4.837 1.00 0.00 H new ATOM 0 HA VAL A 54 2.339 8.164 3.740 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.365 7.758 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.949 7.625 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.136 9.201 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.430 7.984 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.533 5.588 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.991 5.855 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.407 5.671 3.454 1.00 0.00 H new ATOM 805 N THR A 55 1.853 10.602 3.556 1.00 0.00 N ATOM 806 CA THR A 55 1.664 12.033 3.717 1.00 0.00 C ATOM 807 C THR A 55 0.657 12.592 2.711 1.00 0.00 C ATOM 808 O THR A 55 -0.161 13.447 3.055 1.00 0.00 O ATOM 809 CB THR A 55 3.007 12.770 3.587 1.00 0.00 C ATOM 810 OG1 THR A 55 4.003 12.098 4.375 1.00 0.00 O ATOM 811 CG2 THR A 55 2.881 14.210 4.058 1.00 0.00 C ATOM 0 H THR A 55 2.800 10.332 3.290 1.00 0.00 H new ATOM 0 HA THR A 55 1.260 12.197 4.716 1.00 0.00 H new ATOM 0 HB THR A 55 3.300 12.770 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.859 12.568 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.843 14.711 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.137 14.727 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.572 14.225 5.103 1.00 0.00 H new ATOM 819 N SER A 56 0.708 12.101 1.480 1.00 0.00 N ATOM 820 CA SER A 56 -0.222 12.529 0.443 1.00 0.00 C ATOM 821 C SER A 56 -0.082 11.652 -0.795 1.00 0.00 C ATOM 822 O SER A 56 0.924 10.960 -0.966 1.00 0.00 O ATOM 823 CB SER A 56 0.021 13.995 0.072 1.00 0.00 C ATOM 824 OG SER A 56 1.342 14.193 -0.409 1.00 0.00 O ATOM 0 H SER A 56 1.386 11.403 1.174 1.00 0.00 H new ATOM 0 HA SER A 56 -1.235 12.429 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.696 14.303 -0.689 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.149 14.626 0.944 1.00 0.00 H new ATOM 0 HG SER A 56 1.468 15.137 -0.640 1.00 0.00 H new ATOM 830 N LEU A 57 -1.094 11.683 -1.647 1.00 0.00 N ATOM 831 CA LEU A 57 -1.052 10.964 -2.909 1.00 0.00 C ATOM 832 C LEU A 57 -1.741 11.786 -3.992 1.00 0.00 C ATOM 833 O LEU A 57 -2.950 12.019 -3.940 1.00 0.00 O ATOM 834 CB LEU A 57 -1.704 9.588 -2.776 1.00 0.00 C ATOM 835 CG LEU A 57 -1.598 8.700 -4.015 1.00 0.00 C ATOM 836 CD1 LEU A 57 -0.145 8.506 -4.403 1.00 0.00 C ATOM 837 CD2 LEU A 57 -2.263 7.358 -3.764 1.00 0.00 C ATOM 0 H LEU A 57 -1.958 12.201 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.010 10.810 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.249 9.067 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.758 9.724 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.114 9.193 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.086 7.871 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.306 9.474 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.391 8.033 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.179 6.738 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.773 6.860 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.316 7.512 -3.528 1.00 0.00 H new ATOM 849 N GLU A 58 -0.958 12.221 -4.962 1.00 0.00 N ATOM 850 CA GLU A 58 -1.419 13.155 -5.980 1.00 0.00 C ATOM 851 C GLU A 58 -2.230 12.462 -7.071 1.00 0.00 C ATOM 852 O GLU A 58 -2.101 11.255 -7.291 1.00 0.00 O ATOM 853 CB GLU A 58 -0.210 13.863 -6.588 1.00 0.00 C ATOM 854 CG GLU A 58 0.654 14.549 -5.544 1.00 0.00 C ATOM 855 CD GLU A 58 2.024 14.914 -6.064 1.00 0.00 C ATOM 856 OE1 GLU A 58 2.909 14.035 -6.079 1.00 0.00 O ATOM 857 OE2 GLU A 58 2.224 16.085 -6.446 1.00 0.00 O ATOM 0 H GLU A 58 0.016 11.938 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.080 13.880 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.394 13.138 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.553 14.602 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.150 15.451 -5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.761 13.893 -4.680 1.00 0.00 H new ATOM 864 N SER A 59 -3.060 13.245 -7.749 1.00 0.00 N ATOM 865 CA SER A 59 -3.922 12.748 -8.813 1.00 0.00 C ATOM 866 C SER A 59 -3.107 12.121 -9.942 1.00 0.00 C ATOM 867 O SER A 59 -2.269 12.783 -10.560 1.00 0.00 O ATOM 868 CB SER A 59 -4.774 13.890 -9.362 1.00 0.00 C ATOM 869 OG SER A 59 -5.454 14.557 -8.315 1.00 0.00 O ATOM 0 H SER A 59 -3.154 14.246 -7.575 1.00 0.00 H new ATOM 0 HA SER A 59 -4.567 11.976 -8.394 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.141 14.597 -9.899 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.495 13.499 -10.080 1.00 0.00 H new ATOM 0 HG SER A 59 -5.993 15.286 -8.687 1.00 0.00 H new ATOM 875 N GLU A 60 -3.362 10.839 -10.184 1.00 0.00 N ATOM 876 CA GLU A 60 -2.699 10.072 -11.236 1.00 0.00 C ATOM 877 C GLU A 60 -1.190 10.015 -11.025 1.00 0.00 C ATOM 878 O GLU A 60 -0.418 9.872 -11.975 1.00 0.00 O ATOM 879 CB GLU A 60 -3.059 10.615 -12.622 1.00 0.00 C ATOM 880 CG GLU A 60 -4.518 10.375 -12.981 1.00 0.00 C ATOM 881 CD GLU A 60 -4.855 10.763 -14.404 1.00 0.00 C ATOM 882 OE1 GLU A 60 -4.734 9.904 -15.305 1.00 0.00 O ATOM 883 OE2 GLU A 60 -5.261 11.920 -14.627 1.00 0.00 O ATOM 0 H GLU A 60 -4.042 10.297 -9.650 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.065 9.047 -11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.851 11.685 -12.655 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.422 10.143 -13.370 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.753 9.321 -12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.151 10.941 -12.298 1.00 0.00 H new ATOM 890 N ASN A 61 -0.779 10.092 -9.768 1.00 0.00 N ATOM 891 CA ASN A 61 0.617 9.892 -9.411 1.00 0.00 C ATOM 892 C ASN A 61 0.710 8.794 -8.360 1.00 0.00 C ATOM 893 O ASN A 61 -0.281 8.480 -7.695 1.00 0.00 O ATOM 894 CB ASN A 61 1.252 11.189 -8.897 1.00 0.00 C ATOM 895 CG ASN A 61 2.765 11.080 -8.776 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.397 10.294 -9.483 1.00 0.00 O ATOM 897 ND2 ASN A 61 3.360 11.870 -7.895 1.00 0.00 N ATOM 0 H ASN A 61 -1.393 10.292 -8.978 1.00 0.00 H new ATOM 0 HA ASN A 61 1.170 9.592 -10.301 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.001 12.007 -9.573 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.828 11.438 -7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.374 11.839 -7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.805 12.509 -7.326 1.00 0.00 H new ATOM 904 N SER A 62 1.881 8.200 -8.224 1.00 0.00 N ATOM 905 CA SER A 62 2.066 7.096 -7.301 1.00 0.00 C ATOM 906 C SER A 62 2.983 7.487 -6.150 1.00 0.00 C ATOM 907 O SER A 62 3.677 8.500 -6.208 1.00 0.00 O ATOM 908 CB SER A 62 2.647 5.895 -8.043 1.00 0.00 C ATOM 909 OG SER A 62 3.813 6.259 -8.760 1.00 0.00 O ATOM 0 H SER A 62 2.719 8.464 -8.742 1.00 0.00 H new ATOM 0 HA SER A 62 1.094 6.833 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.885 5.104 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.903 5.493 -8.731 1.00 0.00 H new ATOM 0 HG SER A 62 4.169 5.474 -9.226 1.00 0.00 H new ATOM 915 N THR A 63 2.957 6.692 -5.099 1.00 0.00 N ATOM 916 CA THR A 63 3.875 6.851 -3.990 1.00 0.00 C ATOM 917 C THR A 63 4.454 5.497 -3.597 1.00 0.00 C ATOM 918 O THR A 63 3.714 4.540 -3.350 1.00 0.00 O ATOM 919 CB THR A 63 3.178 7.506 -2.778 1.00 0.00 C ATOM 920 OG1 THR A 63 2.742 8.824 -3.133 1.00 0.00 O ATOM 921 CG2 THR A 63 4.107 7.583 -1.575 1.00 0.00 C ATOM 0 H THR A 63 2.300 5.919 -4.990 1.00 0.00 H new ATOM 0 HA THR A 63 4.684 7.509 -4.308 1.00 0.00 H new ATOM 0 HB THR A 63 2.322 6.889 -2.504 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.298 9.240 -2.365 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.584 8.049 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.419 6.578 -1.291 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.985 8.177 -1.830 1.00 0.00 H new ATOM 929 N ASN A 64 5.774 5.413 -3.594 1.00 0.00 N ATOM 930 CA ASN A 64 6.469 4.199 -3.194 1.00 0.00 C ATOM 931 C ASN A 64 6.542 4.104 -1.672 1.00 0.00 C ATOM 932 O ASN A 64 7.305 4.825 -1.030 1.00 0.00 O ATOM 933 CB ASN A 64 7.877 4.172 -3.798 1.00 0.00 C ATOM 934 CG ASN A 64 7.883 3.802 -5.271 1.00 0.00 C ATOM 935 OD1 ASN A 64 8.008 2.631 -5.627 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.744 4.792 -6.140 1.00 0.00 N ATOM 0 H ASN A 64 6.391 6.178 -3.867 1.00 0.00 H new ATOM 0 HA ASN A 64 5.912 3.340 -3.567 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.339 5.151 -3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.489 3.458 -3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.738 4.595 -7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.643 5.751 -5.808 1.00 0.00 H new ATOM 943 N VAL A 65 5.737 3.216 -1.104 1.00 0.00 N ATOM 944 CA VAL A 65 5.634 3.082 0.345 1.00 0.00 C ATOM 945 C VAL A 65 6.531 1.957 0.849 1.00 0.00 C ATOM 946 O VAL A 65 6.316 0.791 0.519 1.00 0.00 O ATOM 947 CB VAL A 65 4.181 2.787 0.778 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.997 3.036 2.267 1.00 0.00 C ATOM 949 CG2 VAL A 65 3.199 3.607 -0.042 1.00 0.00 C ATOM 0 H VAL A 65 5.142 2.574 -1.627 1.00 0.00 H new ATOM 0 HA VAL A 65 5.953 4.030 0.778 1.00 0.00 H new ATOM 0 HB VAL A 65 3.977 1.733 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.966 2.821 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.668 2.388 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.225 4.078 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.182 3.384 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.401 4.668 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.309 3.358 -1.097 1.00 0.00 H new ATOM 959 N ASP A 66 7.530 2.307 1.646 1.00 0.00 N ATOM 960 CA ASP A 66 8.462 1.323 2.179 1.00 0.00 C ATOM 961 C ASP A 66 8.057 0.882 3.580 1.00 0.00 C ATOM 962 O ASP A 66 8.002 1.694 4.507 1.00 0.00 O ATOM 963 CB ASP A 66 9.890 1.877 2.208 1.00 0.00 C ATOM 964 CG ASP A 66 10.524 1.929 0.833 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.831 0.857 0.278 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.743 3.043 0.309 1.00 0.00 O ATOM 0 H ASP A 66 7.716 3.266 1.938 1.00 0.00 H new ATOM 0 HA ASP A 66 8.432 0.458 1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.878 2.879 2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.503 1.258 2.863 1.00 0.00 H new ATOM 971 N PHE A 67 7.781 -0.406 3.720 1.00 0.00 N ATOM 972 CA PHE A 67 7.412 -0.985 5.007 1.00 0.00 C ATOM 973 C PHE A 67 8.602 -1.720 5.606 1.00 0.00 C ATOM 974 O PHE A 67 9.643 -1.859 4.961 1.00 0.00 O ATOM 975 CB PHE A 67 6.258 -1.978 4.847 1.00 0.00 C ATOM 976 CG PHE A 67 5.031 -1.403 4.209 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.107 -0.698 4.960 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.798 -1.578 2.855 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.972 -0.178 4.373 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.667 -1.060 2.263 1.00 0.00 C ATOM 981 CZ PHE A 67 2.753 -0.360 3.021 1.00 0.00 C ATOM 0 H PHE A 67 7.806 -1.077 2.952 1.00 0.00 H new ATOM 0 HA PHE A 67 7.101 -0.172 5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.602 -2.822 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.993 -2.369 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.276 -0.553 6.017 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.511 -2.126 2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.257 0.370 4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.497 -1.202 1.206 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.866 0.046 2.558 1.00 0.00 H new ATOM 991 N HIS A 68 8.446 -2.197 6.831 1.00 0.00 N ATOM 992 CA HIS A 68 9.483 -2.981 7.489 1.00 0.00 C ATOM 993 C HIS A 68 8.883 -4.276 8.017 1.00 0.00 C ATOM 994 O HIS A 68 8.104 -4.268 8.970 1.00 0.00 O ATOM 995 CB HIS A 68 10.129 -2.183 8.627 1.00 0.00 C ATOM 996 CG HIS A 68 10.688 -0.865 8.186 1.00 0.00 C ATOM 997 ND1 HIS A 68 11.942 -0.722 7.630 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.142 0.374 8.204 1.00 0.00 C ATOM 999 CE1 HIS A 68 12.141 0.546 7.324 1.00 0.00 C ATOM 1000 NE2 HIS A 68 11.064 1.230 7.662 1.00 0.00 N ATOM 0 H HIS A 68 7.607 -2.055 7.393 1.00 0.00 H new ATOM 0 HA HIS A 68 10.261 -3.217 6.764 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.388 -2.012 9.408 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.927 -2.778 9.071 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.163 0.638 8.576 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.033 0.955 6.874 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.938 2.235 7.539 1.00 0.00 H new ATOM 1009 N TRP A 69 9.242 -5.387 7.394 1.00 0.00 N ATOM 1010 CA TRP A 69 8.619 -6.664 7.698 1.00 0.00 C ATOM 1011 C TRP A 69 9.648 -7.679 8.194 1.00 0.00 C ATOM 1012 O TRP A 69 10.631 -7.978 7.513 1.00 0.00 O ATOM 1013 CB TRP A 69 7.875 -7.180 6.456 1.00 0.00 C ATOM 1014 CG TRP A 69 7.375 -8.589 6.568 1.00 0.00 C ATOM 1015 CD1 TRP A 69 6.927 -9.223 7.691 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.258 -9.534 5.502 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.576 -10.517 7.394 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.763 -10.729 6.054 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.533 -9.489 4.131 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.543 -11.866 5.284 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.307 -10.617 3.371 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.819 -11.791 3.948 1.00 0.00 C ATOM 0 H TRP A 69 9.963 -5.430 6.674 1.00 0.00 H new ATOM 0 HA TRP A 69 7.899 -6.523 8.504 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.028 -6.523 6.257 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.541 -7.112 5.596 1.00 0.00 H new ATOM 0 HD1 TRP A 69 6.859 -8.773 8.670 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.232 -11.207 8.062 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.915 -8.587 3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.167 -12.777 5.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.511 -10.592 2.311 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.656 -12.658 3.325 1.00 0.00 H new ATOM 1033 N THR A 70 9.414 -8.188 9.397 1.00 0.00 N ATOM 1034 CA THR A 70 10.274 -9.192 9.997 1.00 0.00 C ATOM 1035 C THR A 70 9.853 -10.593 9.559 1.00 0.00 C ATOM 1036 O THR A 70 8.762 -11.057 9.898 1.00 0.00 O ATOM 1037 CB THR A 70 10.211 -9.110 11.533 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.341 -7.745 11.955 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.312 -9.952 12.164 1.00 0.00 C ATOM 0 H THR A 70 8.623 -7.915 9.981 1.00 0.00 H new ATOM 0 HA THR A 70 11.293 -8.998 9.663 1.00 0.00 H new ATOM 0 HB THR A 70 9.247 -9.500 11.859 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.298 -7.699 12.933 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.249 -9.879 13.250 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.192 -10.993 11.862 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.284 -9.588 11.832 1.00 0.00 H new ATOM 1047 N LEU A 71 10.708 -11.265 8.804 1.00 0.00 N ATOM 1048 CA LEU A 71 10.398 -12.607 8.336 1.00 0.00 C ATOM 1049 C LEU A 71 10.597 -13.643 9.430 1.00 0.00 C ATOM 1050 O LEU A 71 11.682 -13.768 9.998 1.00 0.00 O ATOM 1051 CB LEU A 71 11.252 -12.983 7.129 1.00 0.00 C ATOM 1052 CG LEU A 71 10.516 -12.990 5.791 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.300 -13.897 5.851 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.121 -11.583 5.402 1.00 0.00 C ATOM 0 H LEU A 71 11.615 -10.907 8.504 1.00 0.00 H new ATOM 0 HA LEU A 71 9.348 -12.601 8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.087 -12.285 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.676 -13.973 7.298 1.00 0.00 H new ATOM 0 HG LEU A 71 11.189 -13.381 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.791 -13.887 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.616 -14.914 6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.619 -13.542 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.597 -11.603 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.466 -11.165 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.015 -10.966 5.313 1.00 0.00 H new ATOM 1066 N ASP A 72 9.535 -14.375 9.715 1.00 0.00 N ATOM 1067 CA ASP A 72 9.591 -15.505 10.627 1.00 0.00 C ATOM 1068 C ASP A 72 9.982 -16.757 9.849 1.00 0.00 C ATOM 1069 O ASP A 72 10.672 -17.637 10.362 1.00 0.00 O ATOM 1070 CB ASP A 72 8.235 -15.700 11.314 1.00 0.00 C ATOM 1071 CG ASP A 72 7.118 -15.961 10.324 1.00 0.00 C ATOM 1072 OD1 ASP A 72 6.983 -15.181 9.356 1.00 0.00 O ATOM 1073 OD2 ASP A 72 6.381 -16.948 10.497 1.00 0.00 O ATOM 0 H ASP A 72 8.610 -14.204 9.321 1.00 0.00 H new ATOM 0 HA ASP A 72 10.337 -15.314 11.398 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.301 -16.535 12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.997 -14.813 11.901 1.00 0.00 H new ATOM 1078 N GLY A 73 9.535 -16.819 8.599 1.00 0.00 N ATOM 1079 CA GLY A 73 9.971 -17.866 7.695 1.00 0.00 C ATOM 1080 C GLY A 73 9.208 -19.165 7.860 1.00 0.00 C ATOM 1081 O GLY A 73 9.680 -20.218 7.430 1.00 0.00 O ATOM 0 H GLY A 73 8.873 -16.157 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.861 -17.517 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.032 -18.055 7.855 1.00 0.00 H new ATOM 1085 N THR A 74 8.031 -19.102 8.467 1.00 0.00 N ATOM 1086 CA THR A 74 7.221 -20.295 8.663 1.00 0.00 C ATOM 1087 C THR A 74 6.659 -20.782 7.329 1.00 0.00 C ATOM 1088 O THR A 74 6.655 -21.981 7.039 1.00 0.00 O ATOM 1089 CB THR A 74 6.077 -20.035 9.666 1.00 0.00 C ATOM 1090 OG1 THR A 74 6.616 -19.483 10.876 1.00 0.00 O ATOM 1091 CG2 THR A 74 5.330 -21.318 9.993 1.00 0.00 C ATOM 0 H THR A 74 7.618 -18.243 8.830 1.00 0.00 H new ATOM 0 HA THR A 74 7.862 -21.072 9.079 1.00 0.00 H new ATOM 0 HB THR A 74 5.378 -19.334 9.210 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.888 -18.555 10.719 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.530 -21.103 10.702 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.904 -21.734 9.080 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.020 -22.039 10.432 1.00 0.00 H new ATOM 1099 N ALA A 75 6.220 -19.845 6.506 1.00 0.00 N ATOM 1100 CA ALA A 75 5.733 -20.165 5.176 1.00 0.00 C ATOM 1101 C ALA A 75 6.707 -19.650 4.126 1.00 0.00 C ATOM 1102 O ALA A 75 7.492 -18.739 4.392 1.00 0.00 O ATOM 1103 CB ALA A 75 4.347 -19.576 4.957 1.00 0.00 C ATOM 0 H ALA A 75 6.191 -18.852 6.737 1.00 0.00 H new ATOM 0 HA ALA A 75 5.659 -21.248 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.999 -19.827 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.657 -19.987 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.391 -18.492 5.065 1.00 0.00 H new ATOM 1109 N ASN A 76 6.664 -20.241 2.943 1.00 0.00 N ATOM 1110 CA ASN A 76 7.528 -19.821 1.846 1.00 0.00 C ATOM 1111 C ASN A 76 6.772 -18.873 0.932 1.00 0.00 C ATOM 1112 O ASN A 76 7.345 -18.265 0.032 1.00 0.00 O ATOM 1113 CB ASN A 76 8.029 -21.025 1.037 1.00 0.00 C ATOM 1114 CG ASN A 76 8.987 -21.910 1.814 1.00 0.00 C ATOM 1115 OD1 ASN A 76 8.887 -22.045 3.034 1.00 0.00 O ATOM 1116 ND2 ASN A 76 9.931 -22.513 1.109 1.00 0.00 N ATOM 0 H ASN A 76 6.040 -21.015 2.715 1.00 0.00 H new ATOM 0 HA ASN A 76 8.393 -19.313 2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.174 -21.620 0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.525 -20.667 0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.609 -23.115 1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.980 -22.375 0.100 1.00 0.00 H new ATOM 1123 N SER A 77 5.476 -18.761 1.177 1.00 0.00 N ATOM 1124 CA SER A 77 4.615 -17.898 0.392 1.00 0.00 C ATOM 1125 C SER A 77 3.657 -17.150 1.307 1.00 0.00 C ATOM 1126 O SER A 77 2.758 -17.748 1.908 1.00 0.00 O ATOM 1127 CB SER A 77 3.838 -18.726 -0.635 1.00 0.00 C ATOM 1128 OG SER A 77 3.066 -19.738 0.000 1.00 0.00 O ATOM 0 H SER A 77 4.995 -19.264 1.923 1.00 0.00 H new ATOM 0 HA SER A 77 5.228 -17.171 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.183 -18.073 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.533 -19.183 -1.339 1.00 0.00 H new ATOM 0 HG SER A 77 2.821 -19.445 0.902 1.00 0.00 H new ATOM 1134 N TYR A 78 3.862 -15.853 1.434 1.00 0.00 N ATOM 1135 CA TYR A 78 3.019 -15.037 2.283 1.00 0.00 C ATOM 1136 C TYR A 78 2.084 -14.177 1.458 1.00 0.00 C ATOM 1137 O TYR A 78 2.470 -13.613 0.432 1.00 0.00 O ATOM 1138 CB TYR A 78 3.860 -14.165 3.213 1.00 0.00 C ATOM 1139 CG TYR A 78 4.467 -14.931 4.360 1.00 0.00 C ATOM 1140 CD1 TYR A 78 3.661 -15.492 5.340 1.00 0.00 C ATOM 1141 CD2 TYR A 78 5.840 -15.084 4.469 1.00 0.00 C ATOM 1142 CE1 TYR A 78 4.207 -16.187 6.398 1.00 0.00 C ATOM 1143 CE2 TYR A 78 6.394 -15.779 5.523 1.00 0.00 C ATOM 1144 CZ TYR A 78 5.575 -16.329 6.486 1.00 0.00 C ATOM 1145 OH TYR A 78 6.123 -17.016 7.543 1.00 0.00 O ATOM 0 H TYR A 78 4.606 -15.342 0.959 1.00 0.00 H new ATOM 0 HA TYR A 78 2.416 -15.710 2.893 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.657 -13.695 2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.237 -13.363 3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.589 -15.382 5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.485 -14.653 3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.566 -16.618 7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.466 -15.892 5.594 1.00 0.00 H new ATOM 0 HH TYR A 78 6.931 -16.554 7.850 1.00 0.00 H new ATOM 1155 N THR A 79 0.851 -14.088 1.917 1.00 0.00 N ATOM 1156 CA THR A 79 -0.159 -13.312 1.236 1.00 0.00 C ATOM 1157 C THR A 79 -0.169 -11.891 1.786 1.00 0.00 C ATOM 1158 O THR A 79 -0.942 -11.563 2.689 1.00 0.00 O ATOM 1159 CB THR A 79 -1.548 -13.956 1.414 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.456 -15.373 1.185 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.561 -13.347 0.456 1.00 0.00 C ATOM 0 H THR A 79 0.526 -14.549 2.767 1.00 0.00 H new ATOM 0 HA THR A 79 0.075 -13.287 0.172 1.00 0.00 H new ATOM 0 HB THR A 79 -1.885 -13.768 2.433 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.340 -15.781 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.532 -13.820 0.604 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.646 -12.277 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.232 -13.506 -0.571 1.00 0.00 H new ATOM 1169 N LEU A 80 0.714 -11.060 1.264 1.00 0.00 N ATOM 1170 CA LEU A 80 0.825 -9.692 1.732 1.00 0.00 C ATOM 1171 C LEU A 80 -0.251 -8.832 1.100 1.00 0.00 C ATOM 1172 O LEU A 80 -0.345 -8.709 -0.119 1.00 0.00 O ATOM 1173 CB LEU A 80 2.218 -9.125 1.461 1.00 0.00 C ATOM 1174 CG LEU A 80 3.200 -9.244 2.634 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.401 -10.697 3.040 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.528 -8.601 2.277 1.00 0.00 C ATOM 0 H LEU A 80 1.363 -11.308 0.517 1.00 0.00 H new ATOM 0 HA LEU A 80 0.678 -9.686 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.642 -9.637 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.121 -8.073 1.192 1.00 0.00 H new ATOM 0 HG LEU A 80 2.773 -8.716 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.102 -10.748 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.446 -11.126 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.800 -11.259 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.215 -8.693 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.952 -9.101 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.372 -7.546 2.050 1.00 0.00 H new ATOM 1188 N THR A 81 -1.068 -8.255 1.947 1.00 0.00 N ATOM 1189 CA THR A 81 -2.223 -7.511 1.510 1.00 0.00 C ATOM 1190 C THR A 81 -2.107 -6.058 1.942 1.00 0.00 C ATOM 1191 O THR A 81 -2.054 -5.758 3.131 1.00 0.00 O ATOM 1192 CB THR A 81 -3.509 -8.127 2.092 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.507 -9.546 1.876 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.743 -7.520 1.449 1.00 0.00 C ATOM 0 H THR A 81 -0.950 -8.288 2.960 1.00 0.00 H new ATOM 0 HA THR A 81 -2.271 -7.556 0.422 1.00 0.00 H new ATOM 0 HB THR A 81 -3.535 -7.915 3.161 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.326 -9.935 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.637 -7.973 1.878 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.757 -6.445 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.722 -7.705 0.375 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.033 -5.163 0.976 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.968 -3.744 1.274 1.00 0.00 C ATOM 1204 C VAL A 82 -3.375 -3.173 1.403 1.00 0.00 C ATOM 1205 O VAL A 82 -4.119 -3.113 0.424 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.189 -2.965 0.190 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -1.175 -1.474 0.499 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.232 -3.494 0.062 1.00 0.00 C ATOM 0 H VAL A 82 -2.016 -5.391 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.435 -3.630 2.218 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.699 -3.113 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.621 -0.947 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.198 -1.100 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.696 -1.307 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.762 -2.931 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.749 -3.382 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.204 -4.548 -0.214 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.749 -2.796 2.618 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.032 -2.150 2.852 1.00 0.00 C ATOM 1220 C ASN A 83 -4.848 -0.642 2.885 1.00 0.00 C ATOM 1221 O ASN A 83 -4.127 -0.111 3.734 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.668 -2.640 4.159 1.00 0.00 C ATOM 1223 CG ASN A 83 -6.884 -1.821 4.562 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -6.775 -0.868 5.334 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -8.049 -2.192 4.055 1.00 0.00 N ATOM 0 H ASN A 83 -3.182 -2.926 3.456 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.705 -2.412 2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.959 -3.684 4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.927 -2.599 4.957 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.898 -1.682 4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.098 -2.987 3.418 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.476 0.038 1.945 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.362 1.479 1.851 1.00 0.00 C ATOM 1234 C VAL A 84 -6.497 2.167 2.604 1.00 0.00 C ATOM 1235 O VAL A 84 -7.650 2.133 2.172 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.355 1.949 0.385 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.160 3.452 0.313 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.267 1.234 -0.405 1.00 0.00 C ATOM 0 H VAL A 84 -6.072 -0.387 1.234 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.412 1.756 2.308 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.319 1.701 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.157 3.769 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.973 3.950 0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.210 3.718 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.280 1.581 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.295 1.449 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.447 0.159 -0.381 1.00 0.00 H new ATOM 1248 N ASP A 85 -6.139 2.768 3.737 1.00 0.00 N ATOM 1249 CA ASP A 85 -7.066 3.521 4.588 1.00 0.00 C ATOM 1250 C ASP A 85 -8.119 2.606 5.214 1.00 0.00 C ATOM 1251 O ASP A 85 -9.145 2.295 4.605 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.733 4.671 3.822 1.00 0.00 C ATOM 1253 CG ASP A 85 -8.499 5.614 4.735 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.597 5.333 5.952 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -9.009 6.641 4.242 1.00 0.00 O ATOM 0 H ASP A 85 -5.185 2.747 4.097 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.475 3.957 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.971 5.233 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.414 4.260 3.077 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.868 2.163 6.456 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.783 1.308 7.201 1.00 0.00 C ATOM 1262 C PRO A 86 -9.848 2.119 7.933 1.00 0.00 C ATOM 1263 O PRO A 86 -10.699 1.566 8.631 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.873 0.592 8.212 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.512 1.215 8.082 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.666 2.450 7.237 1.00 0.00 C ATOM 0 HA PRO A 86 -9.328 0.627 6.547 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.256 0.706 9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.831 -0.477 8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.110 1.468 9.063 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.812 0.518 7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.785 3.345 7.848 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.798 2.613 6.598 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.790 3.433 7.777 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.732 4.320 8.436 1.00 0.00 C ATOM 1276 C GLU A 87 -11.685 4.922 7.413 1.00 0.00 C ATOM 1277 O GLU A 87 -12.719 5.487 7.771 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.982 5.431 9.176 1.00 0.00 C ATOM 1279 CG GLU A 87 -8.918 4.908 10.127 1.00 0.00 C ATOM 1280 CD GLU A 87 -8.207 6.014 10.876 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -7.512 6.825 10.233 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -8.339 6.080 12.116 1.00 0.00 O ATOM 0 H GLU A 87 -9.098 3.908 7.198 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.309 3.745 9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.514 6.092 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.698 6.031 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.380 4.229 10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.187 4.328 9.564 1.00 0.00 H new ATOM 1289 N ASN A 88 -11.311 4.795 6.139 1.00 0.00 N ATOM 1290 CA ASN A 88 -12.086 5.329 5.021 1.00 0.00 C ATOM 1291 C ASN A 88 -12.267 6.834 5.193 1.00 0.00 C ATOM 1292 O ASN A 88 -13.346 7.384 4.968 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.444 4.624 4.897 1.00 0.00 C ATOM 1294 CG ASN A 88 -14.109 4.854 3.546 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -13.308 5.003 2.496 1.00 0.00 O flip ATOM 1296 ND2 ASN A 88 -15.337 4.882 3.444 1.00 0.00 N flip ATOM 0 H ASN A 88 -10.457 4.316 5.854 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.538 5.141 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.308 3.554 5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.106 4.979 5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -15.920 4.764 4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -15.770 5.023 2.531 1.00 0.00 H new ATOM 1303 N ALA A 89 -11.187 7.490 5.594 1.00 0.00 N ATOM 1304 CA ALA A 89 -11.191 8.925 5.808 1.00 0.00 C ATOM 1305 C ALA A 89 -11.041 9.648 4.477 1.00 0.00 C ATOM 1306 O ALA A 89 -11.521 10.769 4.303 1.00 0.00 O ATOM 1307 CB ALA A 89 -10.073 9.323 6.759 1.00 0.00 C ATOM 0 H ALA A 89 -10.289 7.043 5.779 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.141 9.212 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.090 10.403 6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.214 8.821 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.113 9.031 6.334 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.358 9.003 3.546 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.221 9.526 2.199 1.00 0.00 C ATOM 1315 C VAL A 90 -11.205 8.822 1.277 1.00 0.00 C ATOM 1316 O VAL A 90 -11.285 7.594 1.268 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.786 9.343 1.659 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -8.658 9.923 0.259 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.771 9.986 2.595 1.00 0.00 C ATOM 0 H VAL A 90 -9.888 8.111 3.701 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.434 10.594 2.231 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.579 8.274 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.639 9.783 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.352 9.415 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.891 10.988 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.767 9.845 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.981 11.052 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.838 9.522 3.579 1.00 0.00 H new ATOM 1329 N ASN A 91 -11.971 9.598 0.525 1.00 0.00 N ATOM 1330 CA ASN A 91 -12.944 9.032 -0.401 1.00 0.00 C ATOM 1331 C ASN A 91 -12.239 8.431 -1.605 1.00 0.00 C ATOM 1332 O ASN A 91 -11.342 9.047 -2.178 1.00 0.00 O ATOM 1333 CB ASN A 91 -13.948 10.096 -0.857 1.00 0.00 C ATOM 1334 CG ASN A 91 -14.834 10.588 0.273 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -15.134 9.712 1.220 1.00 0.00 O flip ATOM 1336 ND2 ASN A 91 -15.258 11.744 0.288 1.00 0.00 N flip ATOM 0 H ASN A 91 -11.939 10.617 0.536 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.490 8.245 0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -13.407 10.941 -1.283 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.572 9.684 -1.650 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -15.005 12.390 -0.460 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.862 12.056 1.048 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.635 7.223 -1.966 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.042 6.523 -3.093 1.00 0.00 C ATOM 1345 C GLU A 92 -13.099 6.013 -4.063 1.00 0.00 C ATOM 1346 O GLU A 92 -14.291 6.000 -3.749 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.166 5.358 -2.618 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.572 4.749 -1.275 1.00 0.00 C ATOM 1349 CD GLU A 92 -13.024 4.305 -1.211 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -13.404 3.377 -1.948 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -13.793 4.888 -0.410 1.00 0.00 O ATOM 0 H GLU A 92 -13.372 6.702 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.418 7.244 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.187 4.575 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.135 5.704 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.931 3.892 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.391 5.480 -0.487 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.645 5.655 -5.259 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.493 5.020 -6.254 1.00 0.00 C ATOM 1360 C GLY A 93 -14.124 3.732 -5.760 1.00 0.00 C ATOM 1361 O GLY A 93 -15.127 3.745 -5.048 1.00 0.00 O ATOM 0 H GLY A 93 -11.682 5.797 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.280 5.714 -6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.903 4.810 -7.146 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.547 2.613 -6.176 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.051 1.302 -5.792 1.00 0.00 C ATOM 1367 C ASN A 94 -13.396 0.839 -4.491 1.00 0.00 C ATOM 1368 O ASN A 94 -12.169 0.779 -4.387 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.789 0.293 -6.911 1.00 0.00 C ATOM 1370 CG ASN A 94 -14.341 -1.082 -6.598 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -13.654 -1.922 -6.023 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -15.581 -1.324 -6.982 1.00 0.00 N ATOM 0 H ASN A 94 -12.727 2.587 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.126 1.373 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.236 0.658 -7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.715 0.219 -7.084 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -16.001 -2.236 -6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -16.118 -0.599 -7.457 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.220 0.485 -3.514 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.744 0.154 -2.174 1.00 0.00 C ATOM 1381 C GLU A 95 -13.114 -1.241 -2.119 1.00 0.00 C ATOM 1382 O GLU A 95 -12.471 -1.600 -1.139 1.00 0.00 O ATOM 1383 CB GLU A 95 -14.900 0.253 -1.178 1.00 0.00 C ATOM 1384 CG GLU A 95 -14.464 0.230 0.277 1.00 0.00 C ATOM 1385 CD GLU A 95 -15.630 0.307 1.234 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -16.145 1.419 1.466 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -16.035 -0.745 1.768 1.00 0.00 O ATOM 0 H GLU A 95 -15.232 0.419 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.968 0.871 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.451 1.174 -1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.589 -0.573 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.901 -0.683 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.790 1.066 0.464 1.00 0.00 H new ATOM 1394 N SER A 96 -13.305 -2.037 -3.159 1.00 0.00 N ATOM 1395 CA SER A 96 -12.637 -3.328 -3.244 1.00 0.00 C ATOM 1396 C SER A 96 -11.320 -3.179 -4.000 1.00 0.00 C ATOM 1397 O SER A 96 -10.519 -4.110 -4.089 1.00 0.00 O ATOM 1398 CB SER A 96 -13.538 -4.356 -3.933 1.00 0.00 C ATOM 1399 OG SER A 96 -14.796 -4.445 -3.281 1.00 0.00 O ATOM 0 H SER A 96 -13.911 -1.816 -3.949 1.00 0.00 H new ATOM 0 HA SER A 96 -12.428 -3.684 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.684 -4.076 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.052 -5.332 -3.929 1.00 0.00 H new ATOM 0 HG SER A 96 -15.356 -5.106 -3.739 1.00 0.00 H new ATOM 1405 N ASN A 97 -11.101 -1.984 -4.528 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.907 -1.684 -5.306 1.00 0.00 C ATOM 1407 C ASN A 97 -8.759 -1.244 -4.402 1.00 0.00 C ATOM 1408 O ASN A 97 -7.594 -1.371 -4.765 1.00 0.00 O ATOM 1409 CB ASN A 97 -10.234 -0.603 -6.350 1.00 0.00 C ATOM 1410 CG ASN A 97 -9.021 0.171 -6.830 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -8.318 -0.251 -7.749 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -8.792 1.330 -6.226 1.00 0.00 N ATOM 0 H ASN A 97 -11.743 -1.197 -4.430 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.584 -2.588 -5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.716 -1.073 -7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.954 0.096 -5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.007 1.911 -6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.401 1.640 -5.469 1.00 0.00 H new ATOM 1419 N ASN A 98 -9.096 -0.776 -3.202 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.093 -0.253 -2.270 1.00 0.00 C ATOM 1421 C ASN A 98 -7.279 -1.383 -1.644 1.00 0.00 C ATOM 1422 O ASN A 98 -6.354 -1.143 -0.869 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.758 0.569 -1.159 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.400 -0.301 -0.086 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -9.868 -1.405 -0.358 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.410 0.186 1.145 1.00 0.00 N ATOM 0 H ASN A 98 -10.053 -0.747 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.423 0.390 -2.841 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.013 1.217 -0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.517 1.217 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.815 -0.359 1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.012 1.106 1.333 1.00 0.00 H new ATOM 1433 N THR A 99 -7.641 -2.616 -1.964 1.00 0.00 N ATOM 1434 CA THR A 99 -6.950 -3.772 -1.436 1.00 0.00 C ATOM 1435 C THR A 99 -5.999 -4.341 -2.483 1.00 0.00 C ATOM 1436 O THR A 99 -6.260 -4.252 -3.683 1.00 0.00 O ATOM 1437 CB THR A 99 -7.949 -4.861 -1.019 1.00 0.00 C ATOM 1438 OG1 THR A 99 -9.149 -4.258 -0.512 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.352 -5.766 0.046 1.00 0.00 C ATOM 0 H THR A 99 -8.415 -2.838 -2.591 1.00 0.00 H new ATOM 0 HA THR A 99 -6.384 -3.454 -0.560 1.00 0.00 H new ATOM 0 HB THR A 99 -8.182 -5.461 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.782 -4.959 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.079 -6.529 0.324 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.455 -6.245 -0.345 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.094 -5.174 0.924 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.906 -4.924 -2.029 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.917 -5.505 -2.928 1.00 0.00 C ATOM 1449 C LEU A 100 -3.459 -6.853 -2.409 1.00 0.00 C ATOM 1450 O LEU A 100 -2.801 -6.934 -1.372 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.716 -4.569 -3.081 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.517 -5.144 -3.846 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -1.875 -5.411 -5.299 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.332 -4.197 -3.755 1.00 0.00 C ATOM 0 H LEU A 100 -4.676 -5.010 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.381 -5.642 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.047 -3.663 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.381 -4.273 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.243 -6.094 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.008 -5.818 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.695 -6.127 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.179 -4.479 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.512 -4.617 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.602 -3.234 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.055 -4.060 -2.710 1.00 0.00 H new ATOM 1466 N THR A 101 -3.821 -7.904 -3.119 1.00 0.00 N ATOM 1467 CA THR A 101 -3.409 -9.242 -2.747 1.00 0.00 C ATOM 1468 C THR A 101 -2.088 -9.588 -3.428 1.00 0.00 C ATOM 1469 O THR A 101 -2.068 -10.095 -4.550 1.00 0.00 O ATOM 1470 CB THR A 101 -4.482 -10.275 -3.136 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.778 -9.776 -2.774 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.235 -11.608 -2.445 1.00 0.00 C ATOM 0 H THR A 101 -4.400 -7.856 -3.957 1.00 0.00 H new ATOM 0 HA THR A 101 -3.278 -9.271 -1.665 1.00 0.00 H new ATOM 0 HB THR A 101 -4.433 -10.435 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.462 -10.432 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.008 -12.318 -2.738 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.258 -11.994 -2.737 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.262 -11.468 -1.364 1.00 0.00 H new ATOM 1480 N ALA A 102 -0.987 -9.279 -2.766 1.00 0.00 N ATOM 1481 CA ALA A 102 0.326 -9.512 -3.334 1.00 0.00 C ATOM 1482 C ALA A 102 0.964 -10.748 -2.727 1.00 0.00 C ATOM 1483 O ALA A 102 1.296 -10.774 -1.542 1.00 0.00 O ATOM 1484 CB ALA A 102 1.214 -8.294 -3.131 1.00 0.00 C ATOM 0 H ALA A 102 -0.978 -8.866 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 102 0.212 -9.682 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.197 -8.484 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.764 -7.430 -3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.319 -8.094 -2.065 1.00 0.00 H new ATOM 1490 N LEU A 103 1.117 -11.779 -3.536 1.00 0.00 N ATOM 1491 CA LEU A 103 1.741 -13.004 -3.079 1.00 0.00 C ATOM 1492 C LEU A 103 3.247 -12.894 -3.166 1.00 0.00 C ATOM 1493 O LEU A 103 3.813 -12.747 -4.251 1.00 0.00 O ATOM 1494 CB LEU A 103 1.248 -14.200 -3.884 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.189 -14.616 -3.593 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.577 -15.792 -4.464 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.353 -14.970 -2.123 1.00 0.00 C ATOM 0 H LEU A 103 0.818 -11.792 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 103 1.462 -13.158 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.337 -13.968 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.904 -15.048 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.848 -13.778 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.606 -16.081 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.492 -15.511 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.087 -16.632 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.385 -15.265 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.313 -15.796 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.104 -14.104 -1.510 1.00 0.00 H new ATOM 1509 N VAL A 104 3.886 -12.956 -2.015 1.00 0.00 N ATOM 1510 CA VAL A 104 5.327 -12.807 -1.938 1.00 0.00 C ATOM 1511 C VAL A 104 5.958 -14.078 -1.381 1.00 0.00 C ATOM 1512 O VAL A 104 5.452 -14.674 -0.428 1.00 0.00 O ATOM 1513 CB VAL A 104 5.742 -11.580 -1.082 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.090 -10.312 -1.606 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.397 -11.771 0.384 1.00 0.00 C ATOM 0 H VAL A 104 3.429 -13.109 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 104 5.693 -12.636 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 104 6.825 -11.485 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.395 -9.465 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.401 -10.142 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.006 -10.417 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.704 -10.890 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.321 -11.913 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.918 -12.648 0.769 1.00 0.00 H new ATOM 1525 N GLY A 105 7.047 -14.508 -1.993 1.00 0.00 N ATOM 1526 CA GLY A 105 7.686 -15.733 -1.572 1.00 0.00 C ATOM 1527 C GLY A 105 9.028 -15.476 -0.936 1.00 0.00 C ATOM 1528 O GLY A 105 9.503 -14.341 -0.920 1.00 0.00 O ATOM 0 H GLY A 105 7.500 -14.031 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.042 -16.254 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.812 -16.391 -2.432 1.00 0.00 H new ATOM 1532 N THR A 106 9.640 -16.515 -0.401 1.00 0.00 N ATOM 1533 CA THR A 106 10.965 -16.384 0.163 1.00 0.00 C ATOM 1534 C THR A 106 12.012 -16.357 -0.945 1.00 0.00 C ATOM 1535 O THR A 106 11.917 -17.102 -1.923 1.00 0.00 O ATOM 1536 CB THR A 106 11.268 -17.507 1.165 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.936 -18.785 0.603 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.488 -17.299 2.455 1.00 0.00 C ATOM 0 H THR A 106 9.242 -17.453 -0.346 1.00 0.00 H new ATOM 0 HA THR A 106 11.003 -15.440 0.707 1.00 0.00 H new ATOM 0 HB THR A 106 12.335 -17.482 1.388 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.136 -19.490 1.253 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.716 -18.105 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.768 -16.344 2.900 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.420 -17.298 2.238 1.00 0.00 H new ATOM 1546 N LEU A 107 12.988 -15.472 -0.792 1.00 0.00 N ATOM 1547 CA LEU A 107 13.975 -15.208 -1.825 1.00 0.00 C ATOM 1548 C LEU A 107 14.822 -16.431 -2.132 1.00 0.00 C ATOM 1549 O LEU A 107 15.680 -16.828 -1.343 1.00 0.00 O ATOM 1550 CB LEU A 107 14.870 -14.040 -1.415 1.00 0.00 C ATOM 1551 CG LEU A 107 15.821 -13.543 -2.502 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.044 -13.094 -3.728 1.00 0.00 C ATOM 1553 CD2 LEU A 107 16.677 -12.408 -1.972 1.00 0.00 C ATOM 0 H LEU A 107 13.116 -14.917 0.054 1.00 0.00 H new ATOM 0 HA LEU A 107 13.432 -14.948 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.237 -13.210 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.458 -14.340 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 107 16.474 -14.366 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.739 -12.743 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.467 -13.932 -4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.368 -12.284 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.350 -12.063 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.036 -11.585 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.261 -12.759 -1.121 1.00 0.00 H new