USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 824 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 88 ASN : amide:sc= 0.592 K(o=1.2,f=0.25) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.901 K(o=1.2,f=2.1) USER MOD Set 1.3: A 98 ASN : amide:sc= 1.49 K(o=1.2,f=0.29) USER MOD Set 2.1: A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 106 THR OG1 : rot 140:sc= 0 USER MOD Set 3.1: A 41 SER OG : rot 180:sc= 0.132 USER MOD Set 3.2: A 51 THR OG1 : rot -92:sc= 0.422 USER MOD Set 4.1: A 39 ASN : amide:sc= 1.51 K(o=2.7,f=-0.13) USER MOD Set 4.2: A 53 THR OG1 : rot -97:sc= 1.21 USER MOD Set 5.1: A 26 THR OG1 : rot -87:sc= 1.19 USER MOD Set 5.2: A 64 ASN : amide:sc= 1 K(o=2.2,f=-0.61) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0714 (180deg=-0.5) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0572) USER MOD Single : A 9 SER OG : rot 180:sc= -0.152 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00197 X(o=-0.002,f=-0.34) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 21 ASN : amide:sc= -2.1! C(o=-2.1!,f=-7.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -133:sc= -0.644 (180deg=-5.36!) USER MOD Single : A 24 THR OG1 : rot -57:sc= 1.26 USER MOD Single : A 29 ASN : amide:sc= 0.174 K(o=0.17,f=-1.7) USER MOD Single : A 30 GLN : amide:sc= 0.0635 K(o=0.063,f=-0.62) USER MOD Single : A 32 ASN : amide:sc= 0.982 K(o=0.98,f=-0.19) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -121:sc= 0.259 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -13:sc= 1.06 USER MOD Single : A 52 GLN : amide:sc= -0.515 X(o=-0.51,f=-0.79) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 30:sc= 1.26 USER MOD Single : A 59 SER OG : rot 82:sc= 0.547 USER MOD Single : A 61 ASN : amide:sc= -0.0371 K(o=-0.037,f=-2.3) USER MOD Single : A 62 SER OG : rot 27:sc= 0.168 USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 68 HIS : no HE2:sc= 1.1 K(o=1.1,f=-6.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 83:sc= 1.17 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -131:sc= 1.77 USER MOD Single : A 79 THR OG1 : rot 116:sc= 1.24 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.93 K(o=-0.93,f=-4.4!) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 96 SER OG : rot -43:sc= 0.203 USER MOD Single : A 97 ASN : amide:sc= 1.04 K(o=1,f=-6.5!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 110 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.2!) USER MOD Single : A 111 HIS : no HD1:sc=-0.000935 X(o=-0.00094,f=0) USER MOD Single : A 112 HIS : no HE2:sc= -0.197 X(o=-0.2,f=-0.46) USER MOD Single : A 113 HIS : no HD1:sc=-0.00598 X(o=-0.006,f=-0.0018) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.088 15.069 -7.647 1.00 0.00 N ATOM 2 CA MET A 1 -14.745 14.522 -7.938 1.00 0.00 C ATOM 3 C MET A 1 -14.276 13.665 -6.773 1.00 0.00 C ATOM 4 O MET A 1 -14.132 14.150 -5.654 1.00 0.00 O ATOM 5 CB MET A 1 -13.735 15.648 -8.187 1.00 0.00 C ATOM 6 CG MET A 1 -14.108 16.563 -9.344 1.00 0.00 C ATOM 7 SD MET A 1 -12.808 17.742 -9.757 1.00 0.00 S ATOM 8 CE MET A 1 -12.585 18.578 -8.189 1.00 0.00 C ATOM 0 H1 MET A 1 -16.441 15.584 -8.479 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.739 14.290 -7.420 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.030 15.718 -6.837 1.00 0.00 H new ATOM 0 HA MET A 1 -14.812 13.913 -8.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.640 16.245 -7.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.757 15.209 -8.384 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.333 15.957 -10.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.018 17.107 -9.091 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.019 19.497 -8.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.559 18.819 -7.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.041 17.928 -7.504 1.00 0.00 H new ATOM 20 N ILE A 2 -14.071 12.386 -7.031 1.00 0.00 N ATOM 21 CA ILE A 2 -13.639 11.463 -5.999 1.00 0.00 C ATOM 22 C ILE A 2 -12.227 10.945 -6.320 1.00 0.00 C ATOM 23 O ILE A 2 -11.890 10.750 -7.490 1.00 0.00 O ATOM 24 CB ILE A 2 -14.653 10.290 -5.888 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.550 9.593 -4.531 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.472 9.287 -7.018 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.102 10.422 -3.391 1.00 0.00 C ATOM 0 H ILE A 2 -14.198 11.962 -7.950 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.603 11.978 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.651 10.719 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -15.086 8.645 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.505 9.359 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -15.197 8.481 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.625 9.786 -7.975 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.463 8.875 -6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.999 9.870 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -14.550 11.359 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -16.156 10.634 -3.572 1.00 0.00 H new ATOM 39 N PRO A 3 -11.366 10.754 -5.302 1.00 0.00 N ATOM 40 CA PRO A 3 -10.048 10.153 -5.495 1.00 0.00 C ATOM 41 C PRO A 3 -10.155 8.649 -5.697 1.00 0.00 C ATOM 42 O PRO A 3 -11.144 8.033 -5.300 1.00 0.00 O ATOM 43 CB PRO A 3 -9.293 10.464 -4.191 1.00 0.00 C ATOM 44 CG PRO A 3 -10.181 11.381 -3.414 1.00 0.00 C ATOM 45 CD PRO A 3 -11.580 11.120 -3.899 1.00 0.00 C ATOM 0 HA PRO A 3 -9.545 10.545 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.088 9.552 -3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.332 10.934 -4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.098 11.190 -2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.901 12.422 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.061 10.318 -3.339 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.214 12.001 -3.802 1.00 0.00 H new ATOM 53 N ASP A 4 -9.156 8.058 -6.327 1.00 0.00 N ATOM 54 CA ASP A 4 -9.136 6.627 -6.536 1.00 0.00 C ATOM 55 C ASP A 4 -7.719 6.142 -6.321 1.00 0.00 C ATOM 56 O ASP A 4 -6.857 6.335 -7.176 1.00 0.00 O ATOM 57 CB ASP A 4 -9.618 6.285 -7.950 1.00 0.00 C ATOM 58 CG ASP A 4 -9.928 4.811 -8.127 1.00 0.00 C ATOM 59 OD1 ASP A 4 -9.019 4.045 -8.510 1.00 0.00 O ATOM 60 OD2 ASP A 4 -11.093 4.417 -7.906 1.00 0.00 O ATOM 0 H ASP A 4 -8.346 8.552 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.808 6.135 -5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.511 6.869 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.854 6.580 -8.670 1.00 0.00 H new ATOM 65 N LEU A 5 -7.462 5.542 -5.175 1.00 0.00 N ATOM 66 CA LEU A 5 -6.104 5.182 -4.821 1.00 0.00 C ATOM 67 C LEU A 5 -5.895 3.715 -5.110 1.00 0.00 C ATOM 68 O LEU A 5 -6.651 2.871 -4.653 1.00 0.00 O ATOM 69 CB LEU A 5 -5.867 5.456 -3.333 1.00 0.00 C ATOM 70 CG LEU A 5 -6.316 6.836 -2.845 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.218 6.924 -1.330 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.484 7.928 -3.489 1.00 0.00 C ATOM 0 H LEU A 5 -8.167 5.296 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.401 5.776 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.389 4.695 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.803 5.343 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.357 6.978 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.541 7.912 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.857 6.165 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.186 6.759 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.819 8.901 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.435 7.787 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.599 7.883 -4.572 1.00 0.00 H new ATOM 84 N VAL A 6 -4.868 3.405 -5.867 1.00 0.00 N ATOM 85 CA VAL A 6 -4.662 2.034 -6.274 1.00 0.00 C ATOM 86 C VAL A 6 -3.268 1.564 -5.888 1.00 0.00 C ATOM 87 O VAL A 6 -2.302 2.314 -6.014 1.00 0.00 O ATOM 88 CB VAL A 6 -4.850 1.912 -7.806 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.961 0.457 -8.238 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.066 2.715 -8.267 1.00 0.00 C ATOM 0 H VAL A 6 -4.174 4.069 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.393 1.405 -5.765 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.964 2.329 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.092 0.407 -9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.052 -0.076 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.818 -0.004 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.180 2.616 -9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.960 2.337 -7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.926 3.766 -8.012 1.00 0.00 H new ATOM 100 N PRO A 7 -3.144 0.318 -5.424 1.00 0.00 N ATOM 101 CA PRO A 7 -1.871 -0.342 -5.227 1.00 0.00 C ATOM 102 C PRO A 7 -1.538 -1.226 -6.423 1.00 0.00 C ATOM 103 O PRO A 7 -2.178 -2.251 -6.653 1.00 0.00 O ATOM 104 CB PRO A 7 -2.113 -1.178 -3.964 1.00 0.00 C ATOM 105 CG PRO A 7 -3.606 -1.211 -3.762 1.00 0.00 C ATOM 106 CD PRO A 7 -4.228 -0.541 -4.961 1.00 0.00 C ATOM 0 HA PRO A 7 -1.031 0.345 -5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.714 -2.185 -4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.613 -0.735 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.960 -2.238 -3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.882 -0.693 -2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.530 -1.262 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.116 0.031 -4.694 1.00 0.00 H new ATOM 114 N VAL A 8 -0.544 -0.817 -7.188 1.00 0.00 N ATOM 115 CA VAL A 8 -0.270 -1.448 -8.473 1.00 0.00 C ATOM 116 C VAL A 8 0.637 -2.668 -8.339 1.00 0.00 C ATOM 117 O VAL A 8 0.436 -3.674 -9.021 1.00 0.00 O ATOM 118 CB VAL A 8 0.340 -0.447 -9.482 1.00 0.00 C ATOM 119 CG1 VAL A 8 -0.688 0.607 -9.869 1.00 0.00 C ATOM 120 CG2 VAL A 8 1.590 0.217 -8.916 1.00 0.00 C ATOM 0 H VAL A 8 0.088 -0.053 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.234 -1.786 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 8 0.629 -1.004 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.244 1.304 -10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.551 0.123 -10.326 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.006 1.149 -8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.995 0.915 -9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.334 0.757 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.336 -0.545 -8.690 1.00 0.00 H new ATOM 130 N SER A 9 1.631 -2.589 -7.468 1.00 0.00 N ATOM 131 CA SER A 9 2.572 -3.685 -7.293 1.00 0.00 C ATOM 132 C SER A 9 3.223 -3.634 -5.918 1.00 0.00 C ATOM 133 O SER A 9 3.197 -2.599 -5.246 1.00 0.00 O ATOM 134 CB SER A 9 3.660 -3.630 -8.374 1.00 0.00 C ATOM 135 OG SER A 9 3.100 -3.699 -9.677 1.00 0.00 O ATOM 0 H SER A 9 1.807 -1.780 -6.873 1.00 0.00 H new ATOM 0 HA SER A 9 2.016 -4.618 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.232 -2.708 -8.270 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.358 -4.455 -8.232 1.00 0.00 H new ATOM 0 HG SER A 9 3.817 -3.660 -10.344 1.00 0.00 H new ATOM 141 N LEU A 10 3.784 -4.762 -5.503 1.00 0.00 N ATOM 142 CA LEU A 10 4.580 -4.821 -4.290 1.00 0.00 C ATOM 143 C LEU A 10 5.927 -5.454 -4.609 1.00 0.00 C ATOM 144 O LEU A 10 5.994 -6.539 -5.186 1.00 0.00 O ATOM 145 CB LEU A 10 3.829 -5.642 -3.233 1.00 0.00 C ATOM 146 CG LEU A 10 4.639 -6.081 -2.007 1.00 0.00 C ATOM 147 CD1 LEU A 10 5.085 -4.886 -1.183 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.818 -7.031 -1.154 1.00 0.00 C ATOM 0 H LEU A 10 3.700 -5.652 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 10 4.748 -3.818 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.977 -5.056 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.428 -6.534 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 10 5.533 -6.597 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.657 -5.231 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.709 -4.234 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.210 -4.333 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.402 -7.337 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.909 -6.529 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.553 -7.910 -1.741 1.00 0.00 H new ATOM 160 N THR A 11 6.989 -4.761 -4.249 1.00 0.00 N ATOM 161 CA THR A 11 8.338 -5.263 -4.431 1.00 0.00 C ATOM 162 C THR A 11 9.069 -5.302 -3.083 1.00 0.00 C ATOM 163 O THR A 11 9.004 -4.348 -2.312 1.00 0.00 O ATOM 164 CB THR A 11 9.121 -4.455 -5.496 1.00 0.00 C ATOM 165 OG1 THR A 11 10.058 -5.306 -6.167 1.00 0.00 O ATOM 166 CG2 THR A 11 9.867 -3.287 -4.890 1.00 0.00 C ATOM 0 H THR A 11 6.942 -3.836 -3.823 1.00 0.00 H new ATOM 0 HA THR A 11 8.275 -6.281 -4.814 1.00 0.00 H new ATOM 0 HB THR A 11 8.389 -4.063 -6.203 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.547 -4.788 -6.840 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.401 -2.750 -5.674 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.159 -2.614 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.580 -3.654 -4.152 1.00 0.00 H new ATOM 174 N PRO A 12 9.725 -6.413 -2.741 1.00 0.00 N ATOM 175 CA PRO A 12 9.881 -7.558 -3.615 1.00 0.00 C ATOM 176 C PRO A 12 8.830 -8.639 -3.388 1.00 0.00 C ATOM 177 O PRO A 12 8.371 -8.863 -2.271 1.00 0.00 O ATOM 178 CB PRO A 12 11.268 -8.064 -3.224 1.00 0.00 C ATOM 179 CG PRO A 12 11.429 -7.699 -1.775 1.00 0.00 C ATOM 180 CD PRO A 12 10.414 -6.623 -1.464 1.00 0.00 C ATOM 0 HA PRO A 12 9.765 -7.297 -4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.349 -9.141 -3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.043 -7.600 -3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.271 -8.571 -1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.440 -7.341 -1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.722 -6.939 -0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.894 -5.709 -1.113 1.00 0.00 H new ATOM 188 N VAL A 13 8.449 -9.297 -4.472 1.00 0.00 N ATOM 189 CA VAL A 13 7.517 -10.424 -4.402 1.00 0.00 C ATOM 190 C VAL A 13 8.143 -11.625 -3.683 1.00 0.00 C ATOM 191 O VAL A 13 7.448 -12.544 -3.261 1.00 0.00 O ATOM 192 CB VAL A 13 7.047 -10.862 -5.806 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.296 -9.734 -6.497 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.226 -11.322 -6.655 1.00 0.00 C ATOM 0 H VAL A 13 8.769 -9.073 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 13 6.654 -10.078 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 13 6.366 -11.705 -5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.973 -10.063 -7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.424 -9.460 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.952 -8.869 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.869 -11.625 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.938 -10.503 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.716 -12.167 -6.170 1.00 0.00 H new ATOM 204 N THR A 14 9.462 -11.624 -3.579 1.00 0.00 N ATOM 205 CA THR A 14 10.181 -12.650 -2.843 1.00 0.00 C ATOM 206 C THR A 14 10.980 -12.009 -1.715 1.00 0.00 C ATOM 207 O THR A 14 11.403 -10.863 -1.838 1.00 0.00 O ATOM 208 CB THR A 14 11.112 -13.453 -3.770 1.00 0.00 C ATOM 209 OG1 THR A 14 11.391 -12.691 -4.953 1.00 0.00 O ATOM 210 CG2 THR A 14 10.485 -14.785 -4.153 1.00 0.00 C ATOM 0 H THR A 14 10.062 -10.915 -4.001 1.00 0.00 H new ATOM 0 HA THR A 14 9.454 -13.344 -2.421 1.00 0.00 H new ATOM 0 HB THR A 14 12.040 -13.653 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.985 -13.204 -5.540 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.164 -15.332 -4.808 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.298 -15.371 -3.253 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.543 -14.608 -4.673 1.00 0.00 H new ATOM 218 N VAL A 15 11.207 -12.740 -0.631 1.00 0.00 N ATOM 219 CA VAL A 15 11.862 -12.169 0.541 1.00 0.00 C ATOM 220 C VAL A 15 12.790 -13.176 1.202 1.00 0.00 C ATOM 221 O VAL A 15 12.635 -14.387 1.046 1.00 0.00 O ATOM 222 CB VAL A 15 10.831 -11.697 1.593 1.00 0.00 C ATOM 223 CG1 VAL A 15 10.060 -10.482 1.104 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.871 -12.825 1.945 1.00 0.00 C ATOM 0 H VAL A 15 10.950 -13.723 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 15 12.438 -11.315 0.186 1.00 0.00 H new ATOM 0 HB VAL A 15 11.380 -11.410 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.344 -10.175 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.754 -9.665 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.528 -10.734 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.153 -12.474 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.340 -13.144 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.432 -13.666 2.353 1.00 0.00 H new ATOM 234 N VAL A 16 13.755 -12.665 1.945 1.00 0.00 N ATOM 235 CA VAL A 16 14.765 -13.504 2.564 1.00 0.00 C ATOM 236 C VAL A 16 14.427 -13.760 4.032 1.00 0.00 C ATOM 237 O VAL A 16 14.138 -12.825 4.774 1.00 0.00 O ATOM 238 CB VAL A 16 16.154 -12.844 2.459 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.248 -13.814 2.860 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.390 -12.321 1.050 1.00 0.00 C ATOM 0 H VAL A 16 13.861 -11.668 2.135 1.00 0.00 H new ATOM 0 HA VAL A 16 14.783 -14.457 2.034 1.00 0.00 H new ATOM 0 HB VAL A 16 16.182 -12.001 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.218 -13.323 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.091 -14.135 3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 16 17.223 -14.683 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.375 -11.858 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.336 -13.147 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.628 -11.582 0.804 1.00 0.00 H new ATOM 250 N PRO A 17 14.485 -15.021 4.488 1.00 0.00 N ATOM 251 CA PRO A 17 14.197 -15.375 5.879 1.00 0.00 C ATOM 252 C PRO A 17 15.406 -15.200 6.799 1.00 0.00 C ATOM 253 O PRO A 17 15.436 -15.739 7.905 1.00 0.00 O ATOM 254 CB PRO A 17 13.808 -16.863 5.800 1.00 0.00 C ATOM 255 CG PRO A 17 13.960 -17.270 4.364 1.00 0.00 C ATOM 256 CD PRO A 17 14.794 -16.214 3.697 1.00 0.00 C ATOM 0 HA PRO A 17 13.423 -14.733 6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.449 -17.466 6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.783 -17.014 6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.440 -18.246 4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.986 -17.355 3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.856 -16.457 3.727 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.525 -16.087 2.648 1.00 0.00 H new ATOM 264 N ASN A 18 16.389 -14.433 6.350 1.00 0.00 N ATOM 265 CA ASN A 18 17.638 -14.291 7.095 1.00 0.00 C ATOM 266 C ASN A 18 17.739 -12.926 7.765 1.00 0.00 C ATOM 267 O ASN A 18 18.464 -12.760 8.743 1.00 0.00 O ATOM 268 CB ASN A 18 18.850 -14.477 6.174 1.00 0.00 C ATOM 269 CG ASN A 18 18.841 -15.791 5.415 1.00 0.00 C ATOM 270 OD1 ASN A 18 18.280 -16.793 5.868 1.00 0.00 O ATOM 271 ND2 ASN A 18 19.475 -15.795 4.254 1.00 0.00 N ATOM 0 H ASN A 18 16.350 -13.902 5.480 1.00 0.00 H new ATOM 0 HA ASN A 18 17.636 -15.065 7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.882 -13.655 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 18 19.761 -14.417 6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 18 19.513 -16.648 3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 18 19.926 -14.945 3.916 1.00 0.00 H new ATOM 278 N THR A 19 17.010 -11.957 7.240 1.00 0.00 N ATOM 279 CA THR A 19 17.131 -10.580 7.692 1.00 0.00 C ATOM 280 C THR A 19 15.772 -9.886 7.633 1.00 0.00 C ATOM 281 O THR A 19 14.776 -10.499 7.236 1.00 0.00 O ATOM 282 CB THR A 19 18.161 -9.815 6.815 1.00 0.00 C ATOM 283 OG1 THR A 19 18.348 -8.471 7.285 1.00 0.00 O ATOM 284 CG2 THR A 19 17.718 -9.788 5.357 1.00 0.00 C ATOM 0 H THR A 19 16.325 -12.098 6.497 1.00 0.00 H new ATOM 0 HA THR A 19 17.482 -10.580 8.724 1.00 0.00 H new ATOM 0 HB THR A 19 19.110 -10.347 6.890 1.00 0.00 H new ATOM 0 HG1 THR A 19 19.002 -8.014 6.716 1.00 0.00 H new ATOM 0 HG21 THR A 19 18.455 -9.247 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.630 -10.809 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.752 -9.289 5.279 1.00 0.00 H new ATOM 292 N VAL A 20 15.723 -8.627 8.053 1.00 0.00 N ATOM 293 CA VAL A 20 14.518 -7.833 7.896 1.00 0.00 C ATOM 294 C VAL A 20 14.354 -7.451 6.432 1.00 0.00 C ATOM 295 O VAL A 20 15.328 -7.151 5.736 1.00 0.00 O ATOM 296 CB VAL A 20 14.529 -6.558 8.769 1.00 0.00 C ATOM 297 CG1 VAL A 20 13.225 -5.783 8.619 1.00 0.00 C ATOM 298 CG2 VAL A 20 14.759 -6.915 10.224 1.00 0.00 C ATOM 0 H VAL A 20 16.499 -8.140 8.501 1.00 0.00 H new ATOM 0 HA VAL A 20 13.678 -8.442 8.229 1.00 0.00 H new ATOM 0 HB VAL A 20 15.347 -5.923 8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.258 -4.890 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 20 13.092 -5.492 7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.390 -6.412 8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.764 -6.006 10.825 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.961 -7.573 10.568 1.00 0.00 H new ATOM 0 HG23 VAL A 20 15.718 -7.423 10.327 1.00 0.00 H new ATOM 308 N ASN A 21 13.122 -7.461 5.982 1.00 0.00 N ATOM 309 CA ASN A 21 12.792 -7.261 4.590 1.00 0.00 C ATOM 310 C ASN A 21 12.023 -5.975 4.439 1.00 0.00 C ATOM 311 O ASN A 21 11.091 -5.702 5.201 1.00 0.00 O ATOM 312 CB ASN A 21 11.994 -8.438 4.030 1.00 0.00 C ATOM 313 CG ASN A 21 12.825 -9.702 3.941 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.457 -9.983 2.921 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.837 -10.469 5.013 1.00 0.00 N ATOM 0 H ASN A 21 12.309 -7.610 6.580 1.00 0.00 H new ATOM 0 HA ASN A 21 13.718 -7.198 4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.126 -8.620 4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.618 -8.182 3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.383 -11.330 5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.300 -10.201 5.838 1.00 0.00 H new ATOM 322 N THR A 22 12.421 -5.176 3.478 1.00 0.00 N ATOM 323 CA THR A 22 11.819 -3.883 3.301 1.00 0.00 C ATOM 324 C THR A 22 10.964 -3.931 2.053 1.00 0.00 C ATOM 325 O THR A 22 11.442 -4.172 0.945 1.00 0.00 O ATOM 326 CB THR A 22 12.892 -2.785 3.164 1.00 0.00 C ATOM 327 OG1 THR A 22 13.852 -2.908 4.225 1.00 0.00 O ATOM 328 CG2 THR A 22 12.265 -1.399 3.207 1.00 0.00 C ATOM 0 H THR A 22 13.158 -5.401 2.809 1.00 0.00 H new ATOM 0 HA THR A 22 11.212 -3.641 4.173 1.00 0.00 H new ATOM 0 HB THR A 22 13.387 -2.912 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.533 -2.209 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.045 -0.644 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.554 -1.296 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.747 -1.263 4.156 1.00 0.00 H new ATOM 336 N MET A 23 9.688 -3.698 2.271 1.00 0.00 N ATOM 337 CA MET A 23 8.663 -3.994 1.293 1.00 0.00 C ATOM 338 C MET A 23 8.116 -2.712 0.721 1.00 0.00 C ATOM 339 O MET A 23 7.621 -1.867 1.456 1.00 0.00 O ATOM 340 CB MET A 23 7.530 -4.793 1.942 1.00 0.00 C ATOM 341 CG MET A 23 7.993 -6.063 2.640 1.00 0.00 C ATOM 342 SD MET A 23 8.762 -7.243 1.518 1.00 0.00 S ATOM 343 CE MET A 23 7.400 -7.595 0.410 1.00 0.00 C ATOM 0 H MET A 23 9.330 -3.295 3.137 1.00 0.00 H new ATOM 0 HA MET A 23 9.103 -4.588 0.492 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.019 -4.158 2.666 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.800 -5.056 1.177 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.702 -5.801 3.425 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.139 -6.536 3.126 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.314 -8.673 0.270 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.474 -7.210 0.838 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.581 -7.117 -0.553 1.00 0.00 H new ATOM 353 N THR A 24 8.188 -2.572 -0.579 1.00 0.00 N ATOM 354 CA THR A 24 7.817 -1.333 -1.208 1.00 0.00 C ATOM 355 C THR A 24 6.554 -1.531 -2.027 1.00 0.00 C ATOM 356 O THR A 24 6.474 -2.398 -2.901 1.00 0.00 O ATOM 357 CB THR A 24 8.950 -0.824 -2.120 1.00 0.00 C ATOM 358 OG1 THR A 24 10.200 -0.860 -1.412 1.00 0.00 O ATOM 359 CG2 THR A 24 8.673 0.596 -2.594 1.00 0.00 C ATOM 0 H THR A 24 8.500 -3.301 -1.220 1.00 0.00 H new ATOM 0 HA THR A 24 7.636 -0.591 -0.430 1.00 0.00 H new ATOM 0 HB THR A 24 9.003 -1.475 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.129 -0.322 -0.596 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.488 0.931 -3.236 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.738 0.617 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.594 1.258 -1.732 1.00 0.00 H new ATOM 367 N ALA A 25 5.573 -0.712 -1.713 1.00 0.00 N ATOM 368 CA ALA A 25 4.260 -0.781 -2.301 1.00 0.00 C ATOM 369 C ALA A 25 3.985 0.518 -3.011 1.00 0.00 C ATOM 370 O ALA A 25 4.213 1.591 -2.455 1.00 0.00 O ATOM 371 CB ALA A 25 3.208 -1.050 -1.237 1.00 0.00 C ATOM 0 H ALA A 25 5.672 0.036 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 25 4.219 -1.604 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.224 -1.098 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.423 -1.998 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.222 -0.247 -0.500 1.00 0.00 H new ATOM 377 N THR A 26 3.515 0.436 -4.229 1.00 0.00 N ATOM 378 CA THR A 26 3.403 1.613 -5.052 1.00 0.00 C ATOM 379 C THR A 26 1.939 1.931 -5.289 1.00 0.00 C ATOM 380 O THR A 26 1.174 1.115 -5.811 1.00 0.00 O ATOM 381 CB THR A 26 4.114 1.394 -6.402 1.00 0.00 C ATOM 382 OG1 THR A 26 5.432 0.876 -6.179 1.00 0.00 O ATOM 383 CG2 THR A 26 4.203 2.689 -7.194 1.00 0.00 C ATOM 0 H THR A 26 3.205 -0.429 -4.672 1.00 0.00 H new ATOM 0 HA THR A 26 3.878 2.449 -4.538 1.00 0.00 H new ATOM 0 HB THR A 26 3.529 0.678 -6.980 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.058 1.619 -6.050 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.709 2.502 -8.141 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.199 3.067 -7.388 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.764 3.428 -6.622 1.00 0.00 H new ATOM 391 N ILE A 27 1.566 3.132 -4.868 1.00 0.00 N ATOM 392 CA ILE A 27 0.183 3.560 -4.855 1.00 0.00 C ATOM 393 C ILE A 27 0.015 4.742 -5.799 1.00 0.00 C ATOM 394 O ILE A 27 0.808 5.683 -5.766 1.00 0.00 O ATOM 395 CB ILE A 27 -0.250 4.004 -3.433 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.337 3.079 -2.352 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.767 4.050 -3.323 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.140 1.641 -2.421 1.00 0.00 C ATOM 0 H ILE A 27 2.220 3.836 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.436 2.720 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 27 0.144 5.007 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.424 3.091 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.086 3.484 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.050 4.364 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.163 4.760 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.176 3.060 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.326 1.064 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.224 1.611 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.135 1.212 -3.385 1.00 0.00 H new ATOM 410 N GLU A 28 -0.994 4.683 -6.647 1.00 0.00 N ATOM 411 CA GLU A 28 -1.265 5.766 -7.579 1.00 0.00 C ATOM 412 C GLU A 28 -2.663 6.314 -7.353 1.00 0.00 C ATOM 413 O GLU A 28 -3.601 5.554 -7.116 1.00 0.00 O ATOM 414 CB GLU A 28 -1.131 5.293 -9.028 1.00 0.00 C ATOM 415 CG GLU A 28 0.221 4.687 -9.358 1.00 0.00 C ATOM 416 CD GLU A 28 0.385 4.414 -10.838 1.00 0.00 C ATOM 417 OE1 GLU A 28 -0.458 3.699 -11.415 1.00 0.00 O ATOM 418 OE2 GLU A 28 1.366 4.908 -11.431 1.00 0.00 O ATOM 0 H GLU A 28 -1.641 3.897 -6.711 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.531 6.552 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.907 4.556 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.311 6.138 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.010 5.362 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.344 3.757 -8.804 1.00 0.00 H new ATOM 425 N ASN A 29 -2.798 7.629 -7.405 1.00 0.00 N ATOM 426 CA ASN A 29 -4.106 8.257 -7.307 1.00 0.00 C ATOM 427 C ASN A 29 -4.660 8.491 -8.702 1.00 0.00 C ATOM 428 O ASN A 29 -4.308 9.463 -9.371 1.00 0.00 O ATOM 429 CB ASN A 29 -4.030 9.574 -6.532 1.00 0.00 C ATOM 430 CG ASN A 29 -5.376 10.272 -6.437 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.430 9.633 -6.443 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.348 11.590 -6.341 1.00 0.00 N ATOM 0 H ASN A 29 -2.021 8.281 -7.514 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.773 7.591 -6.760 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.654 9.380 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.314 10.237 -7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.220 12.115 -6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.455 12.082 -6.340 1.00 0.00 H new ATOM 439 N GLN A 30 -5.517 7.584 -9.139 1.00 0.00 N ATOM 440 CA GLN A 30 -6.032 7.601 -10.496 1.00 0.00 C ATOM 441 C GLN A 30 -7.448 8.165 -10.518 1.00 0.00 C ATOM 442 O GLN A 30 -8.351 7.614 -11.153 1.00 0.00 O ATOM 443 CB GLN A 30 -5.998 6.187 -11.080 1.00 0.00 C ATOM 444 CG GLN A 30 -4.640 5.511 -10.939 1.00 0.00 C ATOM 445 CD GLN A 30 -4.580 4.157 -11.616 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.592 3.470 -11.749 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.387 3.752 -12.026 1.00 0.00 N ATOM 0 H GLN A 30 -5.873 6.819 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.403 8.246 -11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.753 5.578 -10.583 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.267 6.230 -12.135 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.872 6.158 -11.364 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.407 5.393 -9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.572 4.352 -11.897 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.283 2.840 -12.471 1.00 0.00 H new ATOM 456 N GLY A 31 -7.621 9.282 -9.831 1.00 0.00 N ATOM 457 CA GLY A 31 -8.896 9.961 -9.800 1.00 0.00 C ATOM 458 C GLY A 31 -8.697 11.459 -9.769 1.00 0.00 C ATOM 459 O GLY A 31 -7.651 11.932 -9.320 1.00 0.00 O ATOM 0 H GLY A 31 -6.888 9.736 -9.286 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.483 9.684 -10.675 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.462 9.645 -8.924 1.00 0.00 H new ATOM 463 N ASN A 32 -9.682 12.209 -10.246 1.00 0.00 N ATOM 464 CA ASN A 32 -9.538 13.657 -10.381 1.00 0.00 C ATOM 465 C ASN A 32 -9.821 14.374 -9.058 1.00 0.00 C ATOM 466 O ASN A 32 -10.662 15.268 -8.981 1.00 0.00 O ATOM 467 CB ASN A 32 -10.459 14.186 -11.486 1.00 0.00 C ATOM 468 CG ASN A 32 -10.004 15.532 -12.027 1.00 0.00 C ATOM 469 OD1 ASN A 32 -9.188 15.598 -12.944 1.00 0.00 O ATOM 470 ND2 ASN A 32 -10.521 16.614 -11.468 1.00 0.00 N ATOM 0 H ASN A 32 -10.586 11.843 -10.545 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.504 13.864 -10.656 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.495 13.464 -12.301 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.473 14.278 -11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.245 17.539 -11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.196 16.523 -10.709 1.00 0.00 H new ATOM 477 N LYS A 33 -9.124 13.953 -8.016 1.00 0.00 N ATOM 478 CA LYS A 33 -9.137 14.639 -6.734 1.00 0.00 C ATOM 479 C LYS A 33 -7.927 14.196 -5.936 1.00 0.00 C ATOM 480 O LYS A 33 -7.603 13.009 -5.906 1.00 0.00 O ATOM 481 CB LYS A 33 -10.416 14.352 -5.942 1.00 0.00 C ATOM 482 CG LYS A 33 -10.506 15.149 -4.648 1.00 0.00 C ATOM 483 CD LYS A 33 -11.739 14.781 -3.843 1.00 0.00 C ATOM 484 CE LYS A 33 -11.821 15.579 -2.552 1.00 0.00 C ATOM 485 NZ LYS A 33 -12.998 15.195 -1.728 1.00 0.00 N ATOM 0 H LYS A 33 -8.531 13.123 -8.035 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.106 15.713 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.281 14.581 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.462 13.288 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.614 14.970 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.527 16.214 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.632 14.962 -4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.720 13.716 -3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.910 15.426 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.875 16.642 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.013 15.765 -0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.870 15.365 -2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.935 14.187 -1.481 1.00 0.00 H new ATOM 499 N ASP A 34 -7.258 15.138 -5.301 1.00 0.00 N ATOM 500 CA ASP A 34 -6.031 14.836 -4.580 1.00 0.00 C ATOM 501 C ASP A 34 -6.340 14.242 -3.217 1.00 0.00 C ATOM 502 O ASP A 34 -7.223 14.720 -2.502 1.00 0.00 O ATOM 503 CB ASP A 34 -5.176 16.094 -4.426 1.00 0.00 C ATOM 504 CG ASP A 34 -4.859 16.734 -5.759 1.00 0.00 C ATOM 505 OD1 ASP A 34 -4.048 16.166 -6.520 1.00 0.00 O ATOM 506 OD2 ASP A 34 -5.437 17.797 -6.066 1.00 0.00 O ATOM 0 H ASP A 34 -7.540 16.118 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.470 14.101 -5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.699 16.812 -3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.247 15.840 -3.916 1.00 0.00 H new ATOM 511 N SER A 35 -5.623 13.188 -2.870 1.00 0.00 N ATOM 512 CA SER A 35 -5.791 12.550 -1.581 1.00 0.00 C ATOM 513 C SER A 35 -4.753 13.087 -0.608 1.00 0.00 C ATOM 514 O SER A 35 -3.613 13.356 -0.989 1.00 0.00 O ATOM 515 CB SER A 35 -5.660 11.031 -1.715 1.00 0.00 C ATOM 516 OG SER A 35 -5.879 10.381 -0.474 1.00 0.00 O ATOM 0 H SER A 35 -4.917 12.756 -3.467 1.00 0.00 H new ATOM 0 HA SER A 35 -6.787 12.774 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.377 10.666 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.667 10.781 -2.088 1.00 0.00 H new ATOM 0 HG SER A 35 -5.082 9.865 -0.230 1.00 0.00 H new ATOM 522 N THR A 36 -5.147 13.257 0.638 1.00 0.00 N ATOM 523 CA THR A 36 -4.237 13.772 1.645 1.00 0.00 C ATOM 524 C THR A 36 -3.663 12.621 2.485 1.00 0.00 C ATOM 525 O THR A 36 -3.174 11.637 1.924 1.00 0.00 O ATOM 526 CB THR A 36 -4.939 14.822 2.528 1.00 0.00 C ATOM 527 OG1 THR A 36 -5.814 15.610 1.712 1.00 0.00 O ATOM 528 CG2 THR A 36 -3.924 15.744 3.192 1.00 0.00 C ATOM 0 H THR A 36 -6.086 13.048 0.978 1.00 0.00 H new ATOM 0 HA THR A 36 -3.405 14.268 1.145 1.00 0.00 H new ATOM 0 HB THR A 36 -5.500 14.302 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.265 16.279 2.268 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.446 16.475 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.252 15.156 3.817 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.347 16.262 2.426 1.00 0.00 H new ATOM 536 N SER A 37 -3.723 12.726 3.807 1.00 0.00 N ATOM 537 CA SER A 37 -3.082 11.748 4.670 1.00 0.00 C ATOM 538 C SER A 37 -3.957 10.515 4.869 1.00 0.00 C ATOM 539 O SER A 37 -4.984 10.568 5.547 1.00 0.00 O ATOM 540 CB SER A 37 -2.739 12.381 6.017 1.00 0.00 C ATOM 541 OG SER A 37 -1.890 13.505 5.838 1.00 0.00 O ATOM 0 H SER A 37 -4.207 13.476 4.301 1.00 0.00 H new ATOM 0 HA SER A 37 -2.162 11.424 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.654 12.686 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.249 11.646 6.656 1.00 0.00 H new ATOM 0 HG SER A 37 -1.542 13.510 4.922 1.00 0.00 H new ATOM 547 N PHE A 38 -3.540 9.411 4.267 1.00 0.00 N ATOM 548 CA PHE A 38 -4.241 8.147 4.418 1.00 0.00 C ATOM 549 C PHE A 38 -3.295 7.089 4.974 1.00 0.00 C ATOM 550 O PHE A 38 -2.097 7.091 4.680 1.00 0.00 O ATOM 551 CB PHE A 38 -4.856 7.689 3.086 1.00 0.00 C ATOM 552 CG PHE A 38 -3.864 7.478 1.972 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.521 8.518 1.123 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.288 6.233 1.765 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.624 8.322 0.091 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.387 6.033 0.736 1.00 0.00 C ATOM 557 CZ PHE A 38 -2.057 7.079 -0.103 1.00 0.00 C ATOM 0 H PHE A 38 -2.716 9.366 3.667 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.060 8.289 5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.397 6.758 3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.588 8.430 2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.960 9.494 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.547 5.410 2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.367 9.141 -0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.942 5.060 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.356 6.924 -0.910 1.00 0.00 H new ATOM 567 N ASN A 39 -3.834 6.195 5.780 1.00 0.00 N ATOM 568 CA ASN A 39 -3.027 5.202 6.478 1.00 0.00 C ATOM 569 C ASN A 39 -2.934 3.919 5.671 1.00 0.00 C ATOM 570 O ASN A 39 -3.910 3.193 5.539 1.00 0.00 O ATOM 571 CB ASN A 39 -3.632 4.894 7.851 1.00 0.00 C ATOM 572 CG ASN A 39 -3.813 6.132 8.704 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.929 6.499 9.483 1.00 0.00 O ATOM 574 ND2 ASN A 39 -4.956 6.788 8.558 1.00 0.00 N ATOM 0 H ASN A 39 -4.834 6.133 5.971 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.026 5.613 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.598 4.407 7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.989 4.188 8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.132 7.633 9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.659 6.448 7.902 1.00 0.00 H new ATOM 581 N VAL A 40 -1.763 3.620 5.144 1.00 0.00 N ATOM 582 CA VAL A 40 -1.602 2.430 4.333 1.00 0.00 C ATOM 583 C VAL A 40 -1.009 1.306 5.186 1.00 0.00 C ATOM 584 O VAL A 40 -0.004 1.489 5.875 1.00 0.00 O ATOM 585 CB VAL A 40 -0.745 2.724 3.069 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.689 2.242 3.202 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.397 2.128 1.837 1.00 0.00 C ATOM 0 H VAL A 40 -0.917 4.178 5.261 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.578 2.104 3.974 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.701 3.808 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.237 2.475 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.163 2.740 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.697 1.164 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.785 2.343 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.489 1.049 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.387 2.563 1.703 1.00 0.00 H new ATOM 597 N SER A 41 -1.665 0.160 5.185 1.00 0.00 N ATOM 598 CA SER A 41 -1.267 -0.936 6.052 1.00 0.00 C ATOM 599 C SER A 41 -0.871 -2.163 5.245 1.00 0.00 C ATOM 600 O SER A 41 -1.482 -2.469 4.219 1.00 0.00 O ATOM 601 CB SER A 41 -2.411 -1.294 7.005 1.00 0.00 C ATOM 602 OG SER A 41 -2.819 -0.169 7.764 1.00 0.00 O ATOM 0 H SER A 41 -2.474 -0.037 4.595 1.00 0.00 H new ATOM 0 HA SER A 41 -0.400 -0.610 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.257 -1.676 6.434 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.092 -2.092 7.676 1.00 0.00 H new ATOM 0 HG SER A 41 -3.551 -0.426 8.362 1.00 0.00 H new ATOM 608 N LEU A 42 0.158 -2.855 5.708 1.00 0.00 N ATOM 609 CA LEU A 42 0.547 -4.118 5.112 1.00 0.00 C ATOM 610 C LEU A 42 0.016 -5.265 5.957 1.00 0.00 C ATOM 611 O LEU A 42 0.448 -5.470 7.095 1.00 0.00 O ATOM 612 CB LEU A 42 2.067 -4.221 4.982 1.00 0.00 C ATOM 613 CG LEU A 42 2.563 -5.491 4.293 1.00 0.00 C ATOM 614 CD1 LEU A 42 2.056 -5.555 2.862 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.080 -5.557 4.324 1.00 0.00 C ATOM 0 H LEU A 42 0.737 -2.561 6.495 1.00 0.00 H new ATOM 0 HA LEU A 42 0.120 -4.174 4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.430 -3.357 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.508 -4.168 5.977 1.00 0.00 H new ATOM 0 HG LEU A 42 2.170 -6.351 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.420 -6.466 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.966 -5.556 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.418 -4.689 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.415 -6.468 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.493 -4.691 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.423 -5.559 5.359 1.00 0.00 H new ATOM 627 N LEU A 43 -0.939 -5.991 5.405 1.00 0.00 N ATOM 628 CA LEU A 43 -1.565 -7.090 6.117 1.00 0.00 C ATOM 629 C LEU A 43 -1.012 -8.422 5.637 1.00 0.00 C ATOM 630 O LEU A 43 -1.038 -8.722 4.448 1.00 0.00 O ATOM 631 CB LEU A 43 -3.090 -7.073 5.934 1.00 0.00 C ATOM 632 CG LEU A 43 -3.806 -5.803 6.404 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.719 -4.710 5.356 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.256 -6.107 6.742 1.00 0.00 C ATOM 0 H LEU A 43 -1.299 -5.839 4.463 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.339 -6.966 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.311 -7.222 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.510 -7.924 6.470 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.307 -5.445 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.235 -3.820 5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.673 -4.471 5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.186 -5.053 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.751 -5.195 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.763 -6.493 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.296 -6.852 7.537 1.00 0.00 H new ATOM 646 N VAL A 44 -0.510 -9.213 6.568 1.00 0.00 N ATOM 647 CA VAL A 44 -0.037 -10.550 6.266 1.00 0.00 C ATOM 648 C VAL A 44 -1.158 -11.551 6.511 1.00 0.00 C ATOM 649 O VAL A 44 -1.417 -11.945 7.651 1.00 0.00 O ATOM 650 CB VAL A 44 1.197 -10.926 7.113 1.00 0.00 C ATOM 651 CG1 VAL A 44 1.636 -12.352 6.828 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.336 -9.956 6.845 1.00 0.00 C ATOM 0 H VAL A 44 -0.419 -8.948 7.549 1.00 0.00 H new ATOM 0 HA VAL A 44 0.263 -10.574 5.218 1.00 0.00 H new ATOM 0 HB VAL A 44 0.922 -10.860 8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.507 -12.593 7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.824 -13.038 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.892 -12.450 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.200 -10.233 7.449 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.605 -9.993 5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.022 -8.945 7.104 1.00 0.00 H new ATOM 662 N ASP A 45 -1.864 -11.891 5.435 1.00 0.00 N ATOM 663 CA ASP A 45 -2.985 -12.835 5.476 1.00 0.00 C ATOM 664 C ASP A 45 -4.143 -12.311 6.326 1.00 0.00 C ATOM 665 O ASP A 45 -5.134 -13.009 6.532 1.00 0.00 O ATOM 666 CB ASP A 45 -2.537 -14.214 5.979 1.00 0.00 C ATOM 667 CG ASP A 45 -1.768 -14.994 4.931 1.00 0.00 C ATOM 668 OD1 ASP A 45 -2.409 -15.716 4.135 1.00 0.00 O ATOM 669 OD2 ASP A 45 -0.523 -14.888 4.890 1.00 0.00 O ATOM 0 H ASP A 45 -1.676 -11.519 4.504 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.343 -12.940 4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.913 -14.089 6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.412 -14.788 6.284 1.00 0.00 H new ATOM 674 N GLY A 46 -4.030 -11.073 6.793 1.00 0.00 N ATOM 675 CA GLY A 46 -5.085 -10.482 7.591 1.00 0.00 C ATOM 676 C GLY A 46 -4.546 -9.650 8.735 1.00 0.00 C ATOM 677 O GLY A 46 -5.126 -8.627 9.094 1.00 0.00 O ATOM 0 H GLY A 46 -3.225 -10.468 6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.712 -9.857 6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.722 -11.272 7.989 1.00 0.00 H new ATOM 681 N ILE A 47 -3.431 -10.082 9.308 1.00 0.00 N ATOM 682 CA ILE A 47 -2.829 -9.372 10.432 1.00 0.00 C ATOM 683 C ILE A 47 -1.988 -8.210 9.921 1.00 0.00 C ATOM 684 O ILE A 47 -1.391 -8.292 8.853 1.00 0.00 O ATOM 685 CB ILE A 47 -1.934 -10.295 11.279 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.594 -11.665 11.466 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.642 -9.659 12.631 1.00 0.00 C ATOM 688 CD1 ILE A 47 -1.726 -12.667 12.197 1.00 0.00 C ATOM 0 H ILE A 47 -2.925 -10.918 9.015 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.643 -9.008 11.059 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.991 -10.436 10.750 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.526 -11.537 12.016 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.854 -12.069 10.488 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.008 -10.325 13.217 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.130 -8.708 12.483 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.578 -9.488 13.163 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.261 -13.612 12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.804 -12.826 11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.487 -12.285 13.190 1.00 0.00 H new ATOM 700 N VAL A 48 -1.925 -7.148 10.692 1.00 0.00 N ATOM 701 CA VAL A 48 -1.209 -5.950 10.275 1.00 0.00 C ATOM 702 C VAL A 48 0.171 -5.902 10.922 1.00 0.00 C ATOM 703 O VAL A 48 0.290 -5.886 12.144 1.00 0.00 O ATOM 704 CB VAL A 48 -1.989 -4.668 10.639 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.296 -3.438 10.074 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.426 -4.748 10.142 1.00 0.00 C ATOM 0 H VAL A 48 -2.359 -7.083 11.613 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.104 -5.995 9.191 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.009 -4.582 11.725 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.862 -2.546 10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.289 -3.366 10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.239 -3.519 8.988 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.955 -3.834 10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.430 -4.865 9.058 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.923 -5.603 10.601 1.00 0.00 H new ATOM 716 N VAL A 49 1.212 -5.889 10.100 1.00 0.00 N ATOM 717 CA VAL A 49 2.576 -5.891 10.616 1.00 0.00 C ATOM 718 C VAL A 49 3.170 -4.486 10.659 1.00 0.00 C ATOM 719 O VAL A 49 4.045 -4.203 11.482 1.00 0.00 O ATOM 720 CB VAL A 49 3.499 -6.814 9.791 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.094 -8.268 9.973 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.477 -6.430 8.316 1.00 0.00 C ATOM 0 H VAL A 49 1.141 -5.877 9.083 1.00 0.00 H new ATOM 0 HA VAL A 49 2.515 -6.275 11.634 1.00 0.00 H new ATOM 0 HB VAL A 49 4.519 -6.690 10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.754 -8.906 9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.172 -8.538 11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.066 -8.404 9.638 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.135 -7.095 7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.461 -6.518 7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.819 -5.401 8.203 1.00 0.00 H new ATOM 732 N ASP A 50 2.696 -3.607 9.782 1.00 0.00 N ATOM 733 CA ASP A 50 3.216 -2.246 9.715 1.00 0.00 C ATOM 734 C ASP A 50 2.241 -1.342 8.965 1.00 0.00 C ATOM 735 O ASP A 50 1.684 -1.734 7.936 1.00 0.00 O ATOM 736 CB ASP A 50 4.588 -2.241 9.030 1.00 0.00 C ATOM 737 CG ASP A 50 5.349 -0.939 9.217 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.009 -0.160 10.137 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.314 -0.702 8.461 1.00 0.00 O ATOM 0 H ASP A 50 1.956 -3.811 9.111 1.00 0.00 H new ATOM 0 HA ASP A 50 3.330 -1.862 10.729 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.186 -3.063 9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.455 -2.426 7.964 1.00 0.00 H new ATOM 744 N THR A 51 2.024 -0.149 9.498 1.00 0.00 N ATOM 745 CA THR A 51 1.130 0.821 8.889 1.00 0.00 C ATOM 746 C THR A 51 1.863 2.138 8.655 1.00 0.00 C ATOM 747 O THR A 51 2.395 2.742 9.589 1.00 0.00 O ATOM 748 CB THR A 51 -0.107 1.070 9.778 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.804 -0.163 9.998 1.00 0.00 O ATOM 750 CG2 THR A 51 -1.049 2.083 9.143 1.00 0.00 C ATOM 0 H THR A 51 2.461 0.172 10.362 1.00 0.00 H new ATOM 0 HA THR A 51 0.796 0.416 7.934 1.00 0.00 H new ATOM 0 HB THR A 51 0.237 1.474 10.730 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.499 -0.272 9.316 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.910 2.237 9.793 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.526 3.029 9.004 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.387 1.710 8.176 1.00 0.00 H new ATOM 758 N GLN A 52 1.891 2.575 7.409 1.00 0.00 N ATOM 759 CA GLN A 52 2.581 3.795 7.039 1.00 0.00 C ATOM 760 C GLN A 52 1.561 4.814 6.544 1.00 0.00 C ATOM 761 O GLN A 52 0.865 4.580 5.558 1.00 0.00 O ATOM 762 CB GLN A 52 3.613 3.492 5.946 1.00 0.00 C ATOM 763 CG GLN A 52 4.798 4.454 5.891 1.00 0.00 C ATOM 764 CD GLN A 52 4.392 5.912 5.795 1.00 0.00 C ATOM 765 OE1 GLN A 52 4.281 6.600 6.808 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.138 6.382 4.585 1.00 0.00 N ATOM 0 H GLN A 52 1.439 2.097 6.630 1.00 0.00 H new ATOM 0 HA GLN A 52 3.103 4.205 7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.992 2.481 6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.110 3.504 4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.411 4.314 6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.421 4.202 5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.243 5.777 3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.837 7.349 4.466 1.00 0.00 H new ATOM 775 N THR A 53 1.462 5.931 7.238 1.00 0.00 N ATOM 776 CA THR A 53 0.525 6.972 6.865 1.00 0.00 C ATOM 777 C THR A 53 1.119 7.852 5.770 1.00 0.00 C ATOM 778 O THR A 53 2.077 8.589 6.005 1.00 0.00 O ATOM 779 CB THR A 53 0.156 7.837 8.085 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.235 6.988 9.175 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.979 8.797 7.752 1.00 0.00 C ATOM 0 H THR A 53 2.021 6.141 8.065 1.00 0.00 H new ATOM 0 HA THR A 53 -0.380 6.495 6.489 1.00 0.00 H new ATOM 0 HB THR A 53 1.030 8.424 8.368 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.212 6.917 9.200 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.219 9.395 8.631 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.673 9.454 6.938 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.858 8.229 7.448 1.00 0.00 H new ATOM 789 N VAL A 54 0.557 7.762 4.573 1.00 0.00 N ATOM 790 CA VAL A 54 1.025 8.563 3.457 1.00 0.00 C ATOM 791 C VAL A 54 0.497 9.982 3.596 1.00 0.00 C ATOM 792 O VAL A 54 -0.710 10.196 3.700 1.00 0.00 O ATOM 793 CB VAL A 54 0.578 7.968 2.104 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.095 8.807 0.946 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.050 6.527 1.970 1.00 0.00 C ATOM 0 H VAL A 54 -0.223 7.142 4.352 1.00 0.00 H new ATOM 0 HA VAL A 54 2.115 8.568 3.475 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.512 7.979 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.767 8.368 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.705 9.821 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.184 8.834 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.725 6.125 1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.138 6.494 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.625 5.929 2.776 1.00 0.00 H new ATOM 805 N THR A 55 1.416 10.939 3.618 1.00 0.00 N ATOM 806 CA THR A 55 1.083 12.331 3.877 1.00 0.00 C ATOM 807 C THR A 55 0.075 12.880 2.866 1.00 0.00 C ATOM 808 O THR A 55 -0.839 13.619 3.238 1.00 0.00 O ATOM 809 CB THR A 55 2.355 13.194 3.865 1.00 0.00 C ATOM 810 OG1 THR A 55 3.335 12.601 4.729 1.00 0.00 O ATOM 811 CG2 THR A 55 2.061 14.614 4.326 1.00 0.00 C ATOM 0 H THR A 55 2.409 10.772 3.457 1.00 0.00 H new ATOM 0 HA THR A 55 0.620 12.374 4.863 1.00 0.00 H new ATOM 0 HB THR A 55 2.733 13.240 2.844 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.149 13.147 4.724 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.980 15.200 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.327 15.068 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.666 14.592 5.341 1.00 0.00 H new ATOM 819 N SER A 56 0.238 12.507 1.602 1.00 0.00 N ATOM 820 CA SER A 56 -0.652 12.961 0.544 1.00 0.00 C ATOM 821 C SER A 56 -0.330 12.250 -0.766 1.00 0.00 C ATOM 822 O SER A 56 0.831 11.966 -1.061 1.00 0.00 O ATOM 823 CB SER A 56 -0.534 14.483 0.366 1.00 0.00 C ATOM 824 OG SER A 56 -1.398 14.964 -0.654 1.00 0.00 O ATOM 0 H SER A 56 0.984 11.887 1.285 1.00 0.00 H new ATOM 0 HA SER A 56 -1.677 12.719 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.772 14.978 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.496 14.741 0.121 1.00 0.00 H new ATOM 0 HG SER A 56 -2.191 14.391 -0.708 1.00 0.00 H new ATOM 830 N LEU A 57 -1.361 11.954 -1.540 1.00 0.00 N ATOM 831 CA LEU A 57 -1.178 11.370 -2.856 1.00 0.00 C ATOM 832 C LEU A 57 -1.923 12.202 -3.890 1.00 0.00 C ATOM 833 O LEU A 57 -3.152 12.157 -3.985 1.00 0.00 O ATOM 834 CB LEU A 57 -1.650 9.914 -2.884 1.00 0.00 C ATOM 835 CG LEU A 57 -1.344 9.161 -4.182 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.130 9.280 -4.534 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.733 7.699 -4.051 1.00 0.00 C ATOM 0 H LEU A 57 -2.334 12.109 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.115 11.372 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.186 9.381 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.726 9.893 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.931 9.610 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.328 8.739 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.389 10.331 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.731 8.856 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.509 7.178 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.170 7.244 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.800 7.624 -3.841 1.00 0.00 H new ATOM 849 N GLU A 58 -1.162 12.979 -4.645 1.00 0.00 N ATOM 850 CA GLU A 58 -1.713 13.916 -5.614 1.00 0.00 C ATOM 851 C GLU A 58 -2.320 13.191 -6.811 1.00 0.00 C ATOM 852 O GLU A 58 -2.020 12.023 -7.062 1.00 0.00 O ATOM 853 CB GLU A 58 -0.609 14.860 -6.079 1.00 0.00 C ATOM 854 CG GLU A 58 0.080 15.583 -4.936 1.00 0.00 C ATOM 855 CD GLU A 58 1.389 16.211 -5.354 1.00 0.00 C ATOM 856 OE1 GLU A 58 1.370 17.322 -5.921 1.00 0.00 O ATOM 857 OE2 GLU A 58 2.445 15.598 -5.112 1.00 0.00 O ATOM 0 H GLU A 58 -0.143 12.978 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.511 14.482 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.133 14.292 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.033 15.595 -6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.583 16.356 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.261 14.880 -4.123 1.00 0.00 H new ATOM 864 N SER A 59 -3.179 13.890 -7.537 1.00 0.00 N ATOM 865 CA SER A 59 -3.827 13.343 -8.719 1.00 0.00 C ATOM 866 C SER A 59 -2.790 12.969 -9.777 1.00 0.00 C ATOM 867 O SER A 59 -2.018 13.822 -10.225 1.00 0.00 O ATOM 868 CB SER A 59 -4.811 14.368 -9.283 1.00 0.00 C ATOM 869 OG SER A 59 -5.651 14.877 -8.260 1.00 0.00 O ATOM 0 H SER A 59 -3.446 14.851 -7.324 1.00 0.00 H new ATOM 0 HA SER A 59 -4.368 12.440 -8.439 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.263 15.186 -9.750 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.418 13.906 -10.061 1.00 0.00 H new ATOM 0 HG SER A 59 -5.184 15.591 -7.778 1.00 0.00 H new ATOM 875 N GLU A 60 -2.772 11.686 -10.143 1.00 0.00 N ATOM 876 CA GLU A 60 -1.840 11.149 -11.138 1.00 0.00 C ATOM 877 C GLU A 60 -0.406 11.122 -10.587 1.00 0.00 C ATOM 878 O GLU A 60 0.566 10.990 -11.332 1.00 0.00 O ATOM 879 CB GLU A 60 -1.931 11.942 -12.455 1.00 0.00 C ATOM 880 CG GLU A 60 -1.173 11.309 -13.611 1.00 0.00 C ATOM 881 CD GLU A 60 -1.578 11.871 -14.953 1.00 0.00 C ATOM 882 OE1 GLU A 60 -1.118 12.973 -15.314 1.00 0.00 O ATOM 883 OE2 GLU A 60 -2.357 11.202 -15.662 1.00 0.00 O ATOM 0 H GLU A 60 -3.406 10.987 -9.756 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.124 10.119 -11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.980 12.044 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.546 12.948 -12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.104 11.462 -13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.344 10.233 -13.606 1.00 0.00 H new ATOM 890 N ASN A 61 -0.278 11.222 -9.273 1.00 0.00 N ATOM 891 CA ASN A 61 1.018 11.072 -8.622 1.00 0.00 C ATOM 892 C ASN A 61 1.105 9.681 -8.004 1.00 0.00 C ATOM 893 O ASN A 61 0.075 9.050 -7.751 1.00 0.00 O ATOM 894 CB ASN A 61 1.217 12.151 -7.549 1.00 0.00 C ATOM 895 CG ASN A 61 2.616 12.139 -6.956 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.585 11.788 -7.628 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.736 12.529 -5.698 1.00 0.00 N ATOM 0 H ASN A 61 -1.053 11.406 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 61 1.808 11.192 -9.363 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.020 13.131 -7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.488 12.004 -6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.654 12.546 -5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.910 12.813 -5.171 1.00 0.00 H new ATOM 904 N SER A 62 2.314 9.194 -7.776 1.00 0.00 N ATOM 905 CA SER A 62 2.499 7.871 -7.213 1.00 0.00 C ATOM 906 C SER A 62 3.413 7.927 -5.992 1.00 0.00 C ATOM 907 O SER A 62 4.368 8.703 -5.947 1.00 0.00 O ATOM 908 CB SER A 62 3.079 6.927 -8.267 1.00 0.00 C ATOM 909 OG SER A 62 3.150 5.596 -7.786 1.00 0.00 O ATOM 0 H SER A 62 3.180 9.696 -7.973 1.00 0.00 H new ATOM 0 HA SER A 62 1.528 7.492 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.462 6.959 -9.165 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.075 7.266 -8.553 1.00 0.00 H new ATOM 0 HG SER A 62 2.462 5.458 -7.101 1.00 0.00 H new ATOM 915 N THR A 63 3.106 7.104 -5.009 1.00 0.00 N ATOM 916 CA THR A 63 3.882 7.041 -3.782 1.00 0.00 C ATOM 917 C THR A 63 4.356 5.614 -3.518 1.00 0.00 C ATOM 918 O THR A 63 3.575 4.664 -3.593 1.00 0.00 O ATOM 919 CB THR A 63 3.053 7.544 -2.581 1.00 0.00 C ATOM 920 OG1 THR A 63 2.696 8.919 -2.778 1.00 0.00 O ATOM 921 CG2 THR A 63 3.823 7.399 -1.278 1.00 0.00 C ATOM 0 H THR A 63 2.315 6.461 -5.036 1.00 0.00 H new ATOM 0 HA THR A 63 4.751 7.687 -3.904 1.00 0.00 H new ATOM 0 HB THR A 63 2.152 6.934 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.169 9.233 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.212 7.762 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.067 6.349 -1.115 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.743 7.982 -1.332 1.00 0.00 H new ATOM 929 N ASN A 64 5.644 5.475 -3.240 1.00 0.00 N ATOM 930 CA ASN A 64 6.232 4.184 -2.918 1.00 0.00 C ATOM 931 C ASN A 64 6.420 4.060 -1.412 1.00 0.00 C ATOM 932 O ASN A 64 7.151 4.840 -0.796 1.00 0.00 O ATOM 933 CB ASN A 64 7.571 4.011 -3.640 1.00 0.00 C ATOM 934 CG ASN A 64 7.416 3.991 -5.151 1.00 0.00 C ATOM 935 OD1 ASN A 64 7.248 2.933 -5.756 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.471 5.162 -5.771 1.00 0.00 N ATOM 0 H ASN A 64 6.307 6.250 -3.231 1.00 0.00 H new ATOM 0 HA ASN A 64 5.557 3.397 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.241 4.823 -3.357 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.040 3.083 -3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.373 5.207 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.612 6.017 -5.234 1.00 0.00 H new ATOM 943 N VAL A 65 5.740 3.089 -0.825 1.00 0.00 N ATOM 944 CA VAL A 65 5.736 2.905 0.618 1.00 0.00 C ATOM 945 C VAL A 65 6.647 1.751 1.022 1.00 0.00 C ATOM 946 O VAL A 65 6.490 0.643 0.524 1.00 0.00 O ATOM 947 CB VAL A 65 4.314 2.597 1.127 1.00 0.00 C ATOM 948 CG1 VAL A 65 4.229 2.799 2.629 1.00 0.00 C ATOM 949 CG2 VAL A 65 3.276 3.437 0.398 1.00 0.00 C ATOM 0 H VAL A 65 5.176 2.407 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 65 6.096 3.833 1.062 1.00 0.00 H new ATOM 0 HB VAL A 65 4.096 1.550 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.218 2.577 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.934 2.133 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.474 3.833 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.283 3.198 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.483 4.494 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.318 3.221 -0.670 1.00 0.00 H new ATOM 959 N ASP A 66 7.591 2.015 1.916 1.00 0.00 N ATOM 960 CA ASP A 66 8.499 0.975 2.396 1.00 0.00 C ATOM 961 C ASP A 66 8.088 0.491 3.781 1.00 0.00 C ATOM 962 O ASP A 66 8.174 1.234 4.760 1.00 0.00 O ATOM 963 CB ASP A 66 9.943 1.481 2.447 1.00 0.00 C ATOM 964 CG ASP A 66 10.463 1.931 1.099 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.772 1.067 0.256 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.567 3.160 0.883 1.00 0.00 O ATOM 0 H ASP A 66 7.750 2.936 2.324 1.00 0.00 H new ATOM 0 HA ASP A 66 8.439 0.145 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.006 2.312 3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.586 0.689 2.832 1.00 0.00 H new ATOM 971 N PHE A 67 7.645 -0.756 3.851 1.00 0.00 N ATOM 972 CA PHE A 67 7.226 -1.364 5.108 1.00 0.00 C ATOM 973 C PHE A 67 8.389 -2.085 5.779 1.00 0.00 C ATOM 974 O PHE A 67 9.370 -2.455 5.127 1.00 0.00 O ATOM 975 CB PHE A 67 6.086 -2.359 4.875 1.00 0.00 C ATOM 976 CG PHE A 67 4.850 -1.752 4.276 1.00 0.00 C ATOM 977 CD1 PHE A 67 3.924 -1.100 5.074 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.611 -1.849 2.916 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.781 -0.554 4.521 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.472 -1.304 2.360 1.00 0.00 C ATOM 981 CZ PHE A 67 2.555 -0.656 3.163 1.00 0.00 C ATOM 0 H PHE A 67 7.566 -1.373 3.043 1.00 0.00 H new ATOM 0 HA PHE A 67 6.879 -0.562 5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.441 -3.154 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.825 -2.824 5.826 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.097 -1.018 6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.324 -2.357 2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.065 -0.048 5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.298 -1.384 1.297 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.662 -0.230 2.730 1.00 0.00 H new ATOM 991 N HIS A 68 8.264 -2.295 7.082 1.00 0.00 N ATOM 992 CA HIS A 68 9.297 -2.970 7.864 1.00 0.00 C ATOM 993 C HIS A 68 8.813 -4.356 8.267 1.00 0.00 C ATOM 994 O HIS A 68 7.912 -4.488 9.098 1.00 0.00 O ATOM 995 CB HIS A 68 9.627 -2.157 9.125 1.00 0.00 C ATOM 996 CG HIS A 68 9.819 -0.689 8.879 1.00 0.00 C ATOM 997 ND1 HIS A 68 8.763 0.185 8.716 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.942 0.060 8.770 1.00 0.00 C ATOM 999 CE1 HIS A 68 9.226 1.402 8.518 1.00 0.00 C ATOM 1000 NE2 HIS A 68 10.543 1.355 8.546 1.00 0.00 N ATOM 0 H HIS A 68 7.451 -2.006 7.626 1.00 0.00 H new ATOM 0 HA HIS A 68 10.196 -3.060 7.254 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.824 -2.290 9.850 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.534 -2.560 9.576 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.776 -0.072 8.745 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.959 -0.294 8.845 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.628 2.288 8.360 1.00 0.00 H new ATOM 1009 N TRP A 69 9.402 -5.385 7.678 1.00 0.00 N ATOM 1010 CA TRP A 69 8.958 -6.747 7.923 1.00 0.00 C ATOM 1011 C TRP A 69 10.133 -7.666 8.249 1.00 0.00 C ATOM 1012 O TRP A 69 10.940 -8.001 7.386 1.00 0.00 O ATOM 1013 CB TRP A 69 8.176 -7.273 6.711 1.00 0.00 C ATOM 1014 CG TRP A 69 7.805 -8.723 6.816 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.579 -9.433 7.961 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.612 -9.635 5.733 1.00 0.00 C ATOM 1017 NE1 TRP A 69 7.280 -10.736 7.656 1.00 0.00 N ATOM 1018 CE2 TRP A 69 7.287 -10.884 6.293 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.687 -9.518 4.341 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 7.040 -12.006 5.511 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.436 -10.633 3.567 1.00 0.00 C ATOM 1022 CH2 TRP A 69 7.119 -11.863 4.153 1.00 0.00 C ATOM 0 H TRP A 69 10.185 -5.303 7.030 1.00 0.00 H new ATOM 0 HA TRP A 69 8.299 -6.738 8.791 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.268 -6.682 6.592 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.774 -7.124 5.812 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.629 -9.027 8.961 1.00 0.00 H new ATOM 0 HE1 TRP A 69 7.084 -11.474 8.332 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.937 -8.573 3.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.794 -12.957 5.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.485 -10.554 2.491 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.933 -12.718 3.520 1.00 0.00 H new ATOM 1033 N THR A 70 10.219 -8.059 9.507 1.00 0.00 N ATOM 1034 CA THR A 70 11.228 -9.005 9.951 1.00 0.00 C ATOM 1035 C THR A 70 10.736 -10.434 9.725 1.00 0.00 C ATOM 1036 O THR A 70 9.677 -10.814 10.226 1.00 0.00 O ATOM 1037 CB THR A 70 11.535 -8.799 11.446 1.00 0.00 C ATOM 1038 OG1 THR A 70 11.650 -7.396 11.724 1.00 0.00 O ATOM 1039 CG2 THR A 70 12.824 -9.502 11.841 1.00 0.00 C ATOM 0 H THR A 70 9.596 -7.734 10.246 1.00 0.00 H new ATOM 0 HA THR A 70 12.138 -8.838 9.375 1.00 0.00 H new ATOM 0 HB THR A 70 10.718 -9.227 12.026 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.844 -7.266 12.676 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.017 -9.340 12.902 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.729 -10.571 11.648 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.652 -9.100 11.256 1.00 0.00 H new ATOM 1047 N LEU A 71 11.488 -11.217 8.958 1.00 0.00 N ATOM 1048 CA LEU A 71 11.074 -12.579 8.644 1.00 0.00 C ATOM 1049 C LEU A 71 11.211 -13.485 9.859 1.00 0.00 C ATOM 1050 O LEU A 71 12.296 -13.628 10.431 1.00 0.00 O ATOM 1051 CB LEU A 71 11.883 -13.150 7.477 1.00 0.00 C ATOM 1052 CG LEU A 71 11.050 -13.615 6.277 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.944 -14.565 6.709 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.474 -12.424 5.540 1.00 0.00 C ATOM 0 H LEU A 71 12.378 -10.936 8.546 1.00 0.00 H new ATOM 0 HA LEU A 71 10.025 -12.539 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.589 -12.391 7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.471 -13.993 7.840 1.00 0.00 H new ATOM 0 HG LEU A 71 11.709 -14.158 5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.371 -14.877 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.383 -15.441 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.284 -14.059 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.885 -12.771 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.836 -11.853 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.285 -11.789 5.184 1.00 0.00 H new ATOM 1066 N ASP A 72 10.102 -14.091 10.242 1.00 0.00 N ATOM 1067 CA ASP A 72 10.064 -15.005 11.371 1.00 0.00 C ATOM 1068 C ASP A 72 10.338 -16.435 10.909 1.00 0.00 C ATOM 1069 O ASP A 72 11.064 -17.178 11.565 1.00 0.00 O ATOM 1070 CB ASP A 72 8.705 -14.918 12.076 1.00 0.00 C ATOM 1071 CG ASP A 72 7.540 -15.327 11.190 1.00 0.00 C ATOM 1072 OD1 ASP A 72 7.610 -15.119 9.957 1.00 0.00 O ATOM 1073 OD2 ASP A 72 6.554 -15.873 11.720 1.00 0.00 O ATOM 0 H ASP A 72 9.202 -13.964 9.780 1.00 0.00 H new ATOM 0 HA ASP A 72 10.842 -14.719 12.079 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.721 -15.555 12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.548 -13.896 12.422 1.00 0.00 H new ATOM 1078 N GLY A 73 9.755 -16.810 9.779 1.00 0.00 N ATOM 1079 CA GLY A 73 10.020 -18.114 9.204 1.00 0.00 C ATOM 1080 C GLY A 73 8.943 -19.136 9.518 1.00 0.00 C ATOM 1081 O GLY A 73 9.202 -20.339 9.495 1.00 0.00 O ATOM 0 H GLY A 73 9.102 -16.233 9.249 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.113 -18.015 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.978 -18.479 9.575 1.00 0.00 H new ATOM 1085 N THR A 74 7.736 -18.669 9.814 1.00 0.00 N ATOM 1086 CA THR A 74 6.624 -19.572 10.078 1.00 0.00 C ATOM 1087 C THR A 74 6.111 -20.188 8.776 1.00 0.00 C ATOM 1088 O THR A 74 5.815 -21.382 8.712 1.00 0.00 O ATOM 1089 CB THR A 74 5.472 -18.847 10.809 1.00 0.00 C ATOM 1090 OG1 THR A 74 5.946 -18.324 12.057 1.00 0.00 O ATOM 1091 CG2 THR A 74 4.301 -19.785 11.067 1.00 0.00 C ATOM 0 H THR A 74 7.504 -17.678 9.877 1.00 0.00 H new ATOM 0 HA THR A 74 6.992 -20.367 10.726 1.00 0.00 H new ATOM 0 HB THR A 74 5.126 -18.035 10.170 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.391 -17.465 11.904 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.508 -19.244 11.583 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.923 -20.165 10.118 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.632 -20.619 11.686 1.00 0.00 H new ATOM 1099 N ALA A 75 6.030 -19.372 7.739 1.00 0.00 N ATOM 1100 CA ALA A 75 5.588 -19.837 6.434 1.00 0.00 C ATOM 1101 C ALA A 75 6.588 -19.431 5.360 1.00 0.00 C ATOM 1102 O ALA A 75 7.410 -18.539 5.573 1.00 0.00 O ATOM 1103 CB ALA A 75 4.208 -19.282 6.114 1.00 0.00 C ATOM 0 H ALA A 75 6.265 -18.380 7.775 1.00 0.00 H new ATOM 0 HA ALA A 75 5.527 -20.925 6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.891 -19.639 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.497 -19.616 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.246 -18.193 6.109 1.00 0.00 H new ATOM 1109 N ASN A 76 6.511 -20.082 4.206 1.00 0.00 N ATOM 1110 CA ASN A 76 7.415 -19.790 3.097 1.00 0.00 C ATOM 1111 C ASN A 76 6.720 -18.912 2.072 1.00 0.00 C ATOM 1112 O ASN A 76 7.330 -18.450 1.111 1.00 0.00 O ATOM 1113 CB ASN A 76 7.898 -21.079 2.427 1.00 0.00 C ATOM 1114 CG ASN A 76 8.753 -21.926 3.343 1.00 0.00 C ATOM 1115 OD1 ASN A 76 8.246 -22.791 4.061 1.00 0.00 O ATOM 1116 ND2 ASN A 76 10.054 -21.690 3.320 1.00 0.00 N ATOM 0 H ASN A 76 5.831 -20.817 4.012 1.00 0.00 H new ATOM 0 HA ASN A 76 8.280 -19.263 3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.035 -21.660 2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.469 -20.828 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.682 -22.234 3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.430 -20.964 2.710 1.00 0.00 H new ATOM 1123 N SER A 77 5.435 -18.698 2.284 1.00 0.00 N ATOM 1124 CA SER A 77 4.647 -17.848 1.419 1.00 0.00 C ATOM 1125 C SER A 77 3.577 -17.144 2.237 1.00 0.00 C ATOM 1126 O SER A 77 2.670 -17.780 2.773 1.00 0.00 O ATOM 1127 CB SER A 77 4.006 -18.670 0.292 1.00 0.00 C ATOM 1128 OG SER A 77 3.354 -17.834 -0.652 1.00 0.00 O ATOM 0 H SER A 77 4.912 -19.108 3.058 1.00 0.00 H new ATOM 0 HA SER A 77 5.299 -17.102 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.772 -19.261 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.288 -19.373 0.715 1.00 0.00 H new ATOM 0 HG SER A 77 2.957 -18.385 -1.358 1.00 0.00 H new ATOM 1134 N TYR A 78 3.714 -15.837 2.365 1.00 0.00 N ATOM 1135 CA TYR A 78 2.738 -15.036 3.085 1.00 0.00 C ATOM 1136 C TYR A 78 1.887 -14.239 2.110 1.00 0.00 C ATOM 1137 O TYR A 78 2.349 -13.870 1.028 1.00 0.00 O ATOM 1138 CB TYR A 78 3.431 -14.080 4.055 1.00 0.00 C ATOM 1139 CG TYR A 78 4.131 -14.756 5.212 1.00 0.00 C ATOM 1140 CD1 TYR A 78 3.408 -15.276 6.277 1.00 0.00 C ATOM 1141 CD2 TYR A 78 5.514 -14.857 5.249 1.00 0.00 C ATOM 1142 CE1 TYR A 78 4.044 -15.877 7.344 1.00 0.00 C ATOM 1143 CE2 TYR A 78 6.158 -15.454 6.314 1.00 0.00 C ATOM 1144 CZ TYR A 78 5.419 -15.962 7.360 1.00 0.00 C ATOM 1145 OH TYR A 78 6.054 -16.560 8.425 1.00 0.00 O ATOM 0 H TYR A 78 4.494 -15.305 1.979 1.00 0.00 H new ATOM 0 HA TYR A 78 2.099 -15.713 3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.160 -13.488 3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.690 -13.385 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.330 -15.209 6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.097 -14.462 4.430 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.466 -16.279 8.163 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.236 -15.523 6.327 1.00 0.00 H new ATOM 0 HH TYR A 78 6.780 -15.982 8.740 1.00 0.00 H new ATOM 1155 N THR A 79 0.652 -13.970 2.490 1.00 0.00 N ATOM 1156 CA THR A 79 -0.234 -13.182 1.658 1.00 0.00 C ATOM 1157 C THR A 79 -0.164 -11.719 2.071 1.00 0.00 C ATOM 1158 O THR A 79 -0.939 -11.261 2.913 1.00 0.00 O ATOM 1159 CB THR A 79 -1.688 -13.678 1.759 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.720 -15.105 1.644 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.554 -13.060 0.672 1.00 0.00 C ATOM 0 H THR A 79 0.241 -14.286 3.369 1.00 0.00 H new ATOM 0 HA THR A 79 0.092 -13.290 0.623 1.00 0.00 H new ATOM 0 HB THR A 79 -2.085 -13.376 2.728 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.042 -15.494 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.576 -13.428 0.767 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.548 -11.975 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.160 -13.334 -0.307 1.00 0.00 H new ATOM 1169 N LEU A 80 0.786 -10.996 1.502 1.00 0.00 N ATOM 1170 CA LEU A 80 0.977 -9.603 1.852 1.00 0.00 C ATOM 1171 C LEU A 80 -0.012 -8.729 1.100 1.00 0.00 C ATOM 1172 O LEU A 80 0.016 -8.628 -0.125 1.00 0.00 O ATOM 1173 CB LEU A 80 2.417 -9.160 1.593 1.00 0.00 C ATOM 1174 CG LEU A 80 3.323 -9.155 2.831 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.429 -10.545 3.446 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.699 -8.619 2.476 1.00 0.00 C ATOM 0 H LEU A 80 1.434 -11.351 0.798 1.00 0.00 H new ATOM 0 HA LEU A 80 0.790 -9.490 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.855 -9.818 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.402 -8.157 1.167 1.00 0.00 H new ATOM 0 HG LEU A 80 2.873 -8.498 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.078 -10.507 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.438 -10.888 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.847 -11.236 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.331 -8.621 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.149 -9.250 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.607 -7.600 2.099 1.00 0.00 H new ATOM 1188 N THR A 81 -0.899 -8.117 1.855 1.00 0.00 N ATOM 1189 CA THR A 81 -1.973 -7.335 1.293 1.00 0.00 C ATOM 1190 C THR A 81 -1.844 -5.877 1.709 1.00 0.00 C ATOM 1191 O THR A 81 -1.879 -5.558 2.895 1.00 0.00 O ATOM 1192 CB THR A 81 -3.331 -7.888 1.756 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.332 -9.316 1.637 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.469 -7.306 0.933 1.00 0.00 C ATOM 0 H THR A 81 -0.894 -8.149 2.874 1.00 0.00 H new ATOM 0 HA THR A 81 -1.912 -7.399 0.207 1.00 0.00 H new ATOM 0 HB THR A 81 -3.482 -7.602 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.197 -9.668 1.934 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.417 -7.715 1.283 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.479 -6.222 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.328 -7.564 -0.117 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.668 -5.005 0.735 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.603 -3.578 0.996 1.00 0.00 C ATOM 1204 C VAL A 82 -3.006 -3.006 1.025 1.00 0.00 C ATOM 1205 O VAL A 82 -3.665 -2.935 -0.011 1.00 0.00 O ATOM 1206 CB VAL A 82 -0.763 -2.843 -0.069 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.637 -1.364 0.268 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.611 -3.485 -0.201 1.00 0.00 C ATOM 0 H VAL A 82 -1.567 -5.260 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.119 -3.432 1.962 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.275 -2.928 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.041 -0.866 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.629 -0.914 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.151 -1.252 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.190 -2.954 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.130 -3.434 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.498 -4.528 -0.497 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.477 -2.648 2.212 1.00 0.00 N ATOM 1219 CA ASN A 83 -4.802 -2.062 2.345 1.00 0.00 C ATOM 1220 C ASN A 83 -4.685 -0.559 2.509 1.00 0.00 C ATOM 1221 O ASN A 83 -4.103 -0.070 3.482 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.564 -2.655 3.528 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.024 -2.232 3.549 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -7.880 -2.901 2.976 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.319 -1.123 4.208 1.00 0.00 N ATOM 0 H ASN A 83 -2.966 -2.752 3.089 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.362 -2.291 1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.504 -3.743 3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.085 -2.345 4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.285 -0.798 4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.581 -0.594 4.672 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.225 0.162 1.549 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.141 1.607 1.538 1.00 0.00 C ATOM 1234 C VAL A 84 -6.220 2.231 2.425 1.00 0.00 C ATOM 1235 O VAL A 84 -7.398 2.255 2.072 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.234 2.149 0.101 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.129 3.663 0.088 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.145 1.518 -0.760 1.00 0.00 C ATOM 0 H VAL A 84 -5.732 -0.235 0.758 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.170 1.888 1.946 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.206 1.882 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.197 4.024 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.941 4.089 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.173 3.965 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.215 1.905 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.167 1.762 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.274 0.436 -0.774 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.770 2.694 3.589 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.598 3.353 4.607 1.00 0.00 C ATOM 1250 C ASP A 85 -7.796 2.503 5.018 1.00 0.00 C ATOM 1251 O ASP A 85 -8.878 2.597 4.440 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.043 4.750 4.166 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.409 5.629 5.353 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -6.497 6.002 6.125 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.600 5.953 5.518 1.00 0.00 O ATOM 0 H ASP A 85 -4.790 2.621 3.862 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.965 3.469 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.243 5.223 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.901 4.664 3.499 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.601 1.655 6.042 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.652 0.777 6.573 1.00 0.00 C ATOM 1262 C PRO A 86 -9.825 1.565 7.151 1.00 0.00 C ATOM 1263 O PRO A 86 -10.952 1.069 7.218 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.945 -0.019 7.678 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.488 0.128 7.397 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.326 1.472 6.751 1.00 0.00 C ATOM 0 HA PRO A 86 -9.083 0.148 5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.196 0.369 8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.245 -1.067 7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.905 0.064 8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.135 -0.666 6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.158 2.257 7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.478 1.491 6.067 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.555 2.799 7.557 1.00 0.00 N ATOM 1275 CA GLU A 87 -10.589 3.674 8.081 1.00 0.00 C ATOM 1276 C GLU A 87 -11.439 4.209 6.939 1.00 0.00 C ATOM 1277 O GLU A 87 -12.631 4.481 7.104 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.958 4.838 8.847 1.00 0.00 C ATOM 1279 CG GLU A 87 -9.138 4.406 10.051 1.00 0.00 C ATOM 1280 CD GLU A 87 -9.975 3.712 11.103 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -10.818 4.385 11.730 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -9.779 2.498 11.319 1.00 0.00 O ATOM 0 H GLU A 87 -8.624 3.215 7.532 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.220 3.104 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.320 5.404 8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.747 5.512 9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.343 3.736 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.657 5.280 10.492 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.807 4.317 5.778 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.407 4.898 4.586 1.00 0.00 C ATOM 1291 C ASN A 88 -11.889 6.309 4.887 1.00 0.00 C ATOM 1292 O ASN A 88 -13.053 6.653 4.685 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.542 4.022 4.043 1.00 0.00 C ATOM 1294 CG ASN A 88 -12.776 4.254 2.563 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -13.654 5.025 2.162 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -11.977 3.595 1.741 1.00 0.00 N ATOM 0 H ASN A 88 -9.848 3.998 5.636 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.648 4.949 3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.303 2.972 4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.459 4.233 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.073 3.714 0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.265 2.968 2.115 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.969 7.115 5.402 1.00 0.00 N ATOM 1304 CA ALA A 89 -11.248 8.506 5.714 1.00 0.00 C ATOM 1305 C ALA A 89 -11.322 9.314 4.430 1.00 0.00 C ATOM 1306 O ALA A 89 -11.965 10.364 4.366 1.00 0.00 O ATOM 1307 CB ALA A 89 -10.177 9.058 6.642 1.00 0.00 C ATOM 0 H ALA A 89 -10.015 6.823 5.613 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.209 8.577 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.395 10.101 6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.163 8.480 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.204 8.989 6.156 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.651 8.811 3.409 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.716 9.394 2.085 1.00 0.00 C ATOM 1315 C VAL A 90 -11.517 8.471 1.179 1.00 0.00 C ATOM 1316 O VAL A 90 -10.991 7.478 0.687 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.310 9.603 1.481 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.388 10.427 0.203 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -8.371 10.252 2.491 1.00 0.00 C ATOM 0 H VAL A 90 -10.049 7.990 3.476 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.195 10.370 2.166 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.903 8.624 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.386 10.562 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.010 9.909 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.824 11.401 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.388 10.387 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.770 11.222 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.282 9.612 3.369 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.799 8.771 1.002 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.663 7.935 0.172 1.00 0.00 C ATOM 1331 C ASN A 91 -13.145 7.900 -1.257 1.00 0.00 C ATOM 1332 O ASN A 91 -12.791 8.936 -1.820 1.00 0.00 O ATOM 1333 CB ASN A 91 -15.106 8.449 0.184 1.00 0.00 C ATOM 1334 CG ASN A 91 -16.072 7.494 -0.501 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -17.009 7.921 -1.177 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -15.873 6.196 -0.309 1.00 0.00 N ATOM 0 H ASN A 91 -13.261 9.580 1.418 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.652 6.927 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -15.424 8.604 1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -15.147 9.419 -0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -16.507 5.515 -0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.086 5.879 0.257 1.00 0.00 H new ATOM 1343 N GLU A 92 -13.099 6.710 -1.828 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.572 6.525 -3.166 1.00 0.00 C ATOM 1345 C GLU A 92 -13.678 6.146 -4.139 1.00 0.00 C ATOM 1346 O GLU A 92 -14.796 5.832 -3.727 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.508 5.436 -3.148 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.419 5.685 -2.125 1.00 0.00 C ATOM 1349 CD GLU A 92 -10.022 4.420 -1.405 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.865 3.874 -0.662 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -8.880 3.961 -1.599 1.00 0.00 O ATOM 0 H GLU A 92 -13.423 5.852 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.132 7.465 -3.497 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.982 4.477 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.058 5.360 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.546 6.110 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.764 6.422 -1.400 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.364 6.231 -5.424 1.00 0.00 N ATOM 1359 CA GLY A 93 -14.263 5.785 -6.475 1.00 0.00 C ATOM 1360 C GLY A 93 -14.644 4.323 -6.343 1.00 0.00 C ATOM 1361 O GLY A 93 -15.528 3.962 -5.567 1.00 0.00 O ATOM 0 H GLY A 93 -12.481 6.610 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.167 6.394 -6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.790 5.946 -7.444 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.998 3.488 -7.140 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.250 2.054 -7.129 1.00 0.00 C ATOM 1367 C ASN A 94 -13.725 1.428 -5.840 1.00 0.00 C ATOM 1368 O ASN A 94 -12.527 1.180 -5.715 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.575 1.403 -8.337 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.689 -0.110 -8.339 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -14.677 -0.675 -7.870 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -12.668 -0.775 -8.854 1.00 0.00 N ATOM 0 H ASN A 94 -13.287 3.782 -7.810 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.326 1.887 -7.182 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.021 1.796 -9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.521 1.682 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.681 -1.795 -8.873 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.868 -0.268 -9.233 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.624 1.169 -4.891 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.245 0.625 -3.585 1.00 0.00 C ATOM 1381 C GLU A 95 -13.913 -0.868 -3.660 1.00 0.00 C ATOM 1382 O GLU A 95 -14.468 -1.682 -2.924 1.00 0.00 O ATOM 1383 CB GLU A 95 -15.358 0.866 -2.560 1.00 0.00 C ATOM 1384 CG GLU A 95 -15.555 2.332 -2.205 1.00 0.00 C ATOM 1385 CD GLU A 95 -16.621 2.540 -1.149 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -16.327 2.348 0.049 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -17.761 2.905 -1.509 1.00 0.00 O ATOM 0 H GLU A 95 -15.625 1.328 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.344 1.149 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.294 0.467 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.130 0.309 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.611 2.745 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.827 2.886 -3.104 1.00 0.00 H new ATOM 1394 N SER A 96 -13.002 -1.208 -4.554 1.00 0.00 N ATOM 1395 CA SER A 96 -12.477 -2.563 -4.673 1.00 0.00 C ATOM 1396 C SER A 96 -10.970 -2.455 -4.880 1.00 0.00 C ATOM 1397 O SER A 96 -10.288 -3.402 -5.278 1.00 0.00 O ATOM 1398 CB SER A 96 -13.144 -3.287 -5.850 1.00 0.00 C ATOM 1399 OG SER A 96 -12.836 -4.674 -5.852 1.00 0.00 O ATOM 0 H SER A 96 -12.601 -0.551 -5.223 1.00 0.00 H new ATOM 0 HA SER A 96 -12.689 -3.142 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.224 -3.154 -5.795 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.815 -2.839 -6.788 1.00 0.00 H new ATOM 0 HG SER A 96 -11.885 -4.798 -5.651 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.478 -1.270 -4.570 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.104 -0.876 -4.831 1.00 0.00 C ATOM 1407 C ASN A 97 -8.232 -1.014 -3.590 1.00 0.00 C ATOM 1408 O ASN A 97 -7.025 -1.226 -3.697 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.084 0.587 -5.281 1.00 0.00 C ATOM 1410 CG ASN A 97 -9.739 1.512 -4.257 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.719 1.148 -3.604 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -9.189 2.696 -4.091 1.00 0.00 N ATOM 0 H ASN A 97 -11.032 -0.540 -4.121 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.706 -1.532 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.053 0.901 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.602 0.679 -6.236 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.573 3.345 -3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.378 2.965 -4.649 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.855 -0.901 -2.421 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.134 -0.769 -1.155 1.00 0.00 C ATOM 1421 C ASN A 98 -7.136 -1.895 -0.920 1.00 0.00 C ATOM 1422 O ASN A 98 -6.083 -1.670 -0.336 1.00 0.00 O ATOM 1423 CB ASN A 98 -9.112 -0.706 0.022 1.00 0.00 C ATOM 1424 CG ASN A 98 -10.131 0.401 -0.136 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -11.241 0.169 -0.625 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.764 1.607 0.271 1.00 0.00 N ATOM 0 H ASN A 98 -9.870 -0.898 -2.322 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.572 0.162 -1.223 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.628 -1.662 0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.555 -0.555 0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.410 2.392 0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.836 1.750 0.669 1.00 0.00 H new ATOM 1433 N THR A 99 -7.453 -3.095 -1.373 1.00 0.00 N ATOM 1434 CA THR A 99 -6.613 -4.246 -1.093 1.00 0.00 C ATOM 1435 C THR A 99 -5.830 -4.722 -2.315 1.00 0.00 C ATOM 1436 O THR A 99 -6.406 -5.031 -3.361 1.00 0.00 O ATOM 1437 CB THR A 99 -7.455 -5.406 -0.540 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.736 -5.436 -1.188 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.638 -5.268 0.960 1.00 0.00 C ATOM 0 H THR A 99 -8.281 -3.297 -1.933 1.00 0.00 H new ATOM 0 HA THR A 99 -5.888 -3.922 -0.346 1.00 0.00 H new ATOM 0 HB THR A 99 -6.929 -6.340 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.266 -6.179 -0.831 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.237 -6.099 1.331 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.663 -5.277 1.448 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.145 -4.329 1.180 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.511 -4.772 -2.170 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.646 -5.398 -3.160 1.00 0.00 C ATOM 1449 C LEU A 100 -3.131 -6.712 -2.601 1.00 0.00 C ATOM 1450 O LEU A 100 -2.293 -6.730 -1.699 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.460 -4.493 -3.520 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.373 -5.149 -4.379 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -1.896 -5.457 -5.773 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.143 -4.258 -4.452 1.00 0.00 C ATOM 0 H LEU A 100 -4.015 -4.382 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.224 -5.570 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.839 -3.618 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.004 -4.135 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.090 -6.091 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.106 -5.922 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.744 -6.138 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.213 -4.532 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.619 -4.739 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.414 -3.300 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.249 -4.096 -3.448 1.00 0.00 H new ATOM 1466 N THR A 101 -3.658 -7.805 -3.117 1.00 0.00 N ATOM 1467 CA THR A 101 -3.295 -9.125 -2.640 1.00 0.00 C ATOM 1468 C THR A 101 -2.104 -9.671 -3.421 1.00 0.00 C ATOM 1469 O THR A 101 -2.247 -10.113 -4.561 1.00 0.00 O ATOM 1470 CB THR A 101 -4.485 -10.093 -2.761 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.637 -9.518 -2.129 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.171 -11.437 -2.122 1.00 0.00 C ATOM 0 H THR A 101 -4.344 -7.804 -3.872 1.00 0.00 H new ATOM 0 HA THR A 101 -3.018 -9.038 -1.590 1.00 0.00 H new ATOM 0 HB THR A 101 -4.684 -10.258 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.395 -10.134 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.031 -12.098 -2.224 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.309 -11.883 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.947 -11.294 -1.065 1.00 0.00 H new ATOM 1480 N ALA A 102 -0.931 -9.616 -2.810 1.00 0.00 N ATOM 1481 CA ALA A 102 0.276 -10.108 -3.446 1.00 0.00 C ATOM 1482 C ALA A 102 0.896 -11.225 -2.622 1.00 0.00 C ATOM 1483 O ALA A 102 1.284 -11.023 -1.469 1.00 0.00 O ATOM 1484 CB ALA A 102 1.270 -8.973 -3.646 1.00 0.00 C ATOM 0 H ALA A 102 -0.791 -9.235 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 102 0.013 -10.511 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.171 -9.358 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.823 -8.205 -4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.529 -8.542 -2.679 1.00 0.00 H new ATOM 1490 N LEU A 103 0.957 -12.412 -3.203 1.00 0.00 N ATOM 1491 CA LEU A 103 1.612 -13.531 -2.556 1.00 0.00 C ATOM 1492 C LEU A 103 3.116 -13.366 -2.626 1.00 0.00 C ATOM 1493 O LEU A 103 3.696 -13.305 -3.710 1.00 0.00 O ATOM 1494 CB LEU A 103 1.204 -14.855 -3.198 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.208 -15.328 -2.866 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.502 -16.629 -3.586 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.365 -15.508 -1.367 1.00 0.00 C ATOM 0 H LEU A 103 0.561 -12.623 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 103 1.299 -13.547 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.293 -14.759 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.911 -15.625 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.919 -14.573 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.512 -16.959 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.419 -16.476 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.213 -17.389 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.377 -15.846 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.351 -16.250 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.181 -14.558 -0.865 1.00 0.00 H new ATOM 1509 N VAL A 104 3.739 -13.287 -1.469 1.00 0.00 N ATOM 1510 CA VAL A 104 5.180 -13.154 -1.398 1.00 0.00 C ATOM 1511 C VAL A 104 5.781 -14.410 -0.787 1.00 0.00 C ATOM 1512 O VAL A 104 5.287 -14.927 0.218 1.00 0.00 O ATOM 1513 CB VAL A 104 5.629 -11.899 -0.606 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.185 -10.627 -1.312 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.100 -11.922 0.814 1.00 0.00 C ATOM 0 H VAL A 104 3.270 -13.313 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 104 5.545 -13.026 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 104 6.718 -11.913 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.511 -9.760 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.627 -10.590 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.098 -10.618 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.433 -11.028 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.010 -11.948 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.475 -12.807 1.328 1.00 0.00 H new ATOM 1525 N GLY A 105 6.823 -14.915 -1.412 1.00 0.00 N ATOM 1526 CA GLY A 105 7.423 -16.144 -0.956 1.00 0.00 C ATOM 1527 C GLY A 105 8.871 -15.954 -0.592 1.00 0.00 C ATOM 1528 O GLY A 105 9.467 -14.927 -0.917 1.00 0.00 O ATOM 0 H GLY A 105 7.267 -14.496 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.876 -16.517 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.340 -16.901 -1.736 1.00 0.00 H new ATOM 1532 N THR A 106 9.438 -16.932 0.089 1.00 0.00 N ATOM 1533 CA THR A 106 10.837 -16.881 0.446 1.00 0.00 C ATOM 1534 C THR A 106 11.694 -17.025 -0.808 1.00 0.00 C ATOM 1535 O THR A 106 11.301 -17.703 -1.760 1.00 0.00 O ATOM 1536 CB THR A 106 11.188 -17.959 1.492 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.835 -19.264 1.014 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.454 -17.681 2.798 1.00 0.00 C ATOM 0 H THR A 106 8.949 -17.770 0.404 1.00 0.00 H new ATOM 0 HA THR A 106 11.046 -15.914 0.902 1.00 0.00 H new ATOM 0 HB THR A 106 12.264 -17.927 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.533 -19.904 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.709 -18.448 3.529 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.748 -16.703 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.379 -17.692 2.621 1.00 0.00 H new ATOM 1546 N LEU A 107 12.836 -16.348 -0.816 1.00 0.00 N ATOM 1547 CA LEU A 107 13.684 -16.252 -1.999 1.00 0.00 C ATOM 1548 C LEU A 107 14.042 -17.616 -2.581 1.00 0.00 C ATOM 1549 O LEU A 107 14.875 -18.343 -2.041 1.00 0.00 O ATOM 1550 CB LEU A 107 14.962 -15.475 -1.673 1.00 0.00 C ATOM 1551 CG LEU A 107 15.962 -15.355 -2.829 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.331 -14.645 -4.019 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.213 -14.622 -2.376 1.00 0.00 C ATOM 0 H LEU A 107 13.200 -15.850 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 107 13.109 -15.719 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.686 -14.472 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.459 -15.959 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 107 16.243 -16.361 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.059 -14.571 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.464 -15.210 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.017 -13.645 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.912 -14.546 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.945 -13.622 -2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.681 -15.171 -1.559 1.00 0.00 H new ATOM 1565 N GLU A 108 13.391 -17.947 -3.685 1.00 0.00 N ATOM 1566 CA GLU A 108 13.747 -19.116 -4.466 1.00 0.00 C ATOM 1567 C GLU A 108 14.910 -18.731 -5.375 1.00 0.00 C ATOM 1568 O GLU A 108 14.829 -17.744 -6.108 1.00 0.00 O ATOM 1569 CB GLU A 108 12.528 -19.592 -5.268 1.00 0.00 C ATOM 1570 CG GLU A 108 12.593 -21.044 -5.726 1.00 0.00 C ATOM 1571 CD GLU A 108 13.542 -21.264 -6.884 1.00 0.00 C ATOM 1572 OE1 GLU A 108 13.181 -20.913 -8.027 1.00 0.00 O ATOM 1573 OE2 GLU A 108 14.651 -21.792 -6.658 1.00 0.00 O ATOM 0 H GLU A 108 12.606 -17.415 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 108 14.053 -19.943 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.634 -19.457 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 108 12.415 -18.954 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.902 -21.669 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.595 -21.371 -6.016 1.00 0.00 H new ATOM 1580 N HIS A 109 15.986 -19.500 -5.314 1.00 0.00 N ATOM 1581 CA HIS A 109 17.253 -19.108 -5.924 1.00 0.00 C ATOM 1582 C HIS A 109 17.206 -19.171 -7.453 1.00 0.00 C ATOM 1583 O HIS A 109 17.975 -18.486 -8.124 1.00 0.00 O ATOM 1584 CB HIS A 109 18.377 -20.005 -5.394 1.00 0.00 C ATOM 1585 CG HIS A 109 19.734 -19.367 -5.409 1.00 0.00 C ATOM 1586 ND1 HIS A 109 20.469 -19.146 -4.263 1.00 0.00 N ATOM 1587 CD2 HIS A 109 20.494 -18.911 -6.432 1.00 0.00 C ATOM 1588 CE1 HIS A 109 21.617 -18.580 -4.582 1.00 0.00 C ATOM 1589 NE2 HIS A 109 21.657 -18.425 -5.891 1.00 0.00 N ATOM 0 H HIS A 109 16.009 -20.406 -4.846 1.00 0.00 H new ATOM 0 HA HIS A 109 17.445 -18.070 -5.651 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.139 -20.301 -4.372 1.00 0.00 H new ATOM 0 HB3 HIS A 109 18.410 -20.917 -5.990 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.233 -18.927 -7.480 1.00 0.00 H new ATOM 0 HE1 HIS A 109 22.393 -18.292 -3.888 1.00 0.00 H new ATOM 0 HE2 HIS A 109 22.427 -18.011 -6.416 1.00 0.00 H new ATOM 1598 N HIS A 110 16.309 -19.976 -8.005 1.00 0.00 N ATOM 1599 CA HIS A 110 16.246 -20.149 -9.454 1.00 0.00 C ATOM 1600 C HIS A 110 15.388 -19.071 -10.108 1.00 0.00 C ATOM 1601 O HIS A 110 15.907 -18.166 -10.762 1.00 0.00 O ATOM 1602 CB HIS A 110 15.701 -21.531 -9.824 1.00 0.00 C ATOM 1603 CG HIS A 110 16.537 -22.665 -9.323 1.00 0.00 C ATOM 1604 ND1 HIS A 110 16.315 -23.275 -8.112 1.00 0.00 N ATOM 1605 CD2 HIS A 110 17.600 -23.296 -9.872 1.00 0.00 C ATOM 1606 CE1 HIS A 110 17.204 -24.233 -7.936 1.00 0.00 C ATOM 1607 NE2 HIS A 110 17.999 -24.268 -8.990 1.00 0.00 N ATOM 0 H HIS A 110 15.621 -20.516 -7.480 1.00 0.00 H new ATOM 0 HA HIS A 110 17.266 -20.059 -9.828 1.00 0.00 H new ATOM 0 HB2 HIS A 110 14.692 -21.632 -9.424 1.00 0.00 H new ATOM 0 HB3 HIS A 110 15.623 -21.602 -10.909 1.00 0.00 H new ATOM 0 HD1 HIS A 110 15.578 -23.026 -7.452 1.00 0.00 H new ATOM 0 HD2 HIS A 110 18.051 -23.075 -10.828 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.271 -24.881 -7.074 1.00 0.00 H new ATOM 1616 N HIS A 111 14.080 -19.165 -9.927 1.00 0.00 N ATOM 1617 CA HIS A 111 13.156 -18.268 -10.610 1.00 0.00 C ATOM 1618 C HIS A 111 12.947 -16.988 -9.822 1.00 0.00 C ATOM 1619 O HIS A 111 12.557 -17.012 -8.653 1.00 0.00 O ATOM 1620 CB HIS A 111 11.808 -18.951 -10.863 1.00 0.00 C ATOM 1621 CG HIS A 111 11.832 -19.941 -11.987 1.00 0.00 C ATOM 1622 ND1 HIS A 111 10.703 -20.329 -12.674 1.00 0.00 N ATOM 1623 CD2 HIS A 111 12.860 -20.616 -12.550 1.00 0.00 C ATOM 1624 CE1 HIS A 111 11.036 -21.195 -13.609 1.00 0.00 C ATOM 1625 NE2 HIS A 111 12.340 -21.388 -13.560 1.00 0.00 N ATOM 0 H HIS A 111 13.634 -19.849 -9.316 1.00 0.00 H new ATOM 0 HA HIS A 111 13.604 -18.014 -11.571 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.492 -19.458 -9.951 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.060 -18.188 -11.079 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.898 -20.559 -12.259 1.00 0.00 H new ATOM 0 HE1 HIS A 111 10.355 -21.668 -14.301 1.00 0.00 H new ATOM 0 HE2 HIS A 111 12.873 -22.007 -14.170 1.00 0.00 H new ATOM 1634 N HIS A 112 13.232 -15.871 -10.464 1.00 0.00 N ATOM 1635 CA HIS A 112 13.001 -14.564 -9.875 1.00 0.00 C ATOM 1636 C HIS A 112 11.960 -13.819 -10.696 1.00 0.00 C ATOM 1637 O HIS A 112 11.650 -14.219 -11.817 1.00 0.00 O ATOM 1638 CB HIS A 112 14.295 -13.738 -9.828 1.00 0.00 C ATOM 1639 CG HIS A 112 15.417 -14.362 -9.052 1.00 0.00 C ATOM 1640 ND1 HIS A 112 15.240 -15.371 -8.126 1.00 0.00 N ATOM 1641 CD2 HIS A 112 16.746 -14.100 -9.067 1.00 0.00 C ATOM 1642 CE1 HIS A 112 16.409 -15.697 -7.608 1.00 0.00 C ATOM 1643 NE2 HIS A 112 17.335 -14.943 -8.161 1.00 0.00 N ATOM 0 H HIS A 112 13.628 -15.843 -11.404 1.00 0.00 H new ATOM 0 HA HIS A 112 12.647 -14.706 -8.854 1.00 0.00 H new ATOM 0 HB2 HIS A 112 14.633 -13.562 -10.849 1.00 0.00 H new ATOM 0 HB3 HIS A 112 14.071 -12.764 -9.394 1.00 0.00 H new ATOM 0 HD1 HIS A 112 14.346 -15.797 -7.881 1.00 0.00 H new ATOM 0 HD2 HIS A 112 17.248 -13.364 -9.678 1.00 0.00 H new ATOM 0 HE1 HIS A 112 16.577 -16.455 -6.857 1.00 0.00 H new ATOM 1652 N HIS A 113 11.414 -12.749 -10.142 1.00 0.00 N ATOM 1653 CA HIS A 113 10.524 -11.884 -10.902 1.00 0.00 C ATOM 1654 C HIS A 113 11.291 -10.632 -11.299 1.00 0.00 C ATOM 1655 O HIS A 113 11.110 -9.562 -10.717 1.00 0.00 O ATOM 1656 CB HIS A 113 9.266 -11.526 -10.098 1.00 0.00 C ATOM 1657 CG HIS A 113 8.200 -10.832 -10.902 1.00 0.00 C ATOM 1658 ND1 HIS A 113 7.076 -11.475 -11.377 1.00 0.00 N ATOM 1659 CD2 HIS A 113 8.083 -9.541 -11.302 1.00 0.00 C ATOM 1660 CE1 HIS A 113 6.321 -10.613 -12.032 1.00 0.00 C ATOM 1661 NE2 HIS A 113 6.908 -9.433 -12.001 1.00 0.00 N ATOM 0 H HIS A 113 11.569 -12.459 -9.176 1.00 0.00 H new ATOM 0 HA HIS A 113 10.187 -12.410 -11.795 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.848 -12.438 -9.672 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.551 -10.886 -9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 113 8.786 -8.745 -11.106 1.00 0.00 H new ATOM 0 HE1 HIS A 113 5.380 -10.837 -12.513 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.547 -8.579 -12.427 1.00 0.00 H new ATOM 1670 N HIS A 114 12.183 -10.800 -12.262 1.00 0.00 N ATOM 1671 CA HIS A 114 13.071 -9.736 -12.704 1.00 0.00 C ATOM 1672 C HIS A 114 13.805 -10.186 -13.959 1.00 0.00 C ATOM 1673 O HIS A 114 14.829 -10.890 -13.831 1.00 0.00 O ATOM 1674 CB HIS A 114 14.070 -9.374 -11.593 1.00 0.00 C ATOM 1675 CG HIS A 114 14.991 -8.237 -11.934 1.00 0.00 C ATOM 1676 ND1 HIS A 114 14.665 -6.917 -11.720 1.00 0.00 N ATOM 1677 CD2 HIS A 114 16.240 -8.231 -12.456 1.00 0.00 C ATOM 1678 CE1 HIS A 114 15.670 -6.150 -12.096 1.00 0.00 C ATOM 1679 NE2 HIS A 114 16.640 -6.921 -12.546 1.00 0.00 N ATOM 1680 OXT HIS A 114 13.335 -9.858 -15.069 1.00 0.00 O ATOM 0 H HIS A 114 12.312 -11.680 -12.761 1.00 0.00 H new ATOM 0 HA HIS A 114 12.484 -8.846 -12.931 1.00 0.00 H new ATOM 0 HB2 HIS A 114 13.515 -9.118 -10.691 1.00 0.00 H new ATOM 0 HB3 HIS A 114 14.669 -10.254 -11.359 1.00 0.00 H new ATOM 0 HD2 HIS A 114 16.816 -9.097 -12.748 1.00 0.00 H new ATOM 0 HE1 HIS A 114 15.694 -5.072 -12.044 1.00 0.00 H new ATOM 0 HE2 HIS A 114 17.539 -6.598 -12.902 1.00 0.00 H new TER 1689 HIS A 114