USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 890 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 102 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 106 HIS : no HD1:sc= -2.9 X(o=-2.9,f=-2.6) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= -0.812 USER MOD Set 2.2: A 70 HIS : no HD1:sc= -7.75! C(o=-8.6!,f=-11!) USER MOD Set 3.1: A 18 THR OG1 : rot 180:sc= -0.451 USER MOD Set 3.2: A 19 ASN : amide:sc= -1.28 X(o=-1.7,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.39) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 141:sc= -0.0221 (180deg=-3.36!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.105 F(o=-1.5!,f=-0.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -3.59 K(o=-3.6,f=-11!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.365 F(o=-2.7,f=-0.37) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 179:sc= -0.0164 USER MOD Single : A 48 ASN : amide:sc= -1.02 K(o=-1,f=-3.7!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= -0.159 (180deg=-0.634) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0941 K(o=-0.094,f=-1.2!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.058 USER MOD Single : A 71 THR OG1 : rot -35:sc= -0.677 USER MOD Single : A 73 THR OG1 : rot -56:sc= 0.418 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0842 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -0.341 F(o=-1.2,f=-0.34) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.1!) USER MOD Single : A 103 THR OG1 : rot -136:sc= -0.146 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 107 THR OG1 : rot -37:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -157:sc= -0.0551 (180deg=-0.362) USER MOD Single : A 113 ASN : amide:sc= -0.658 K(o=-0.66,f=-4.1!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.569 -3.740 14.002 1.00 0.00 N ATOM 2 CA GLY A 1 -11.917 -2.599 14.619 1.00 0.00 C ATOM 3 C GLY A 1 -12.531 -2.234 15.956 1.00 0.00 C ATOM 4 O GLY A 1 -12.540 -3.043 16.884 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.113 -3.950 13.091 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.488 -4.567 14.628 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.574 -3.522 13.844 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.859 -2.820 14.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.979 -1.742 13.948 1.00 0.00 H new ATOM 8 N SER A 2 -13.043 -1.012 16.056 1.00 0.00 N ATOM 9 CA SER A 2 -13.656 -0.539 17.292 1.00 0.00 C ATOM 10 C SER A 2 -12.694 -0.686 18.467 1.00 0.00 C ATOM 11 O SER A 2 -13.079 -1.138 19.546 1.00 0.00 O ATOM 12 CB SER A 2 -14.946 -1.312 17.574 1.00 0.00 C ATOM 13 OG SER A 2 -16.056 -0.700 16.940 1.00 0.00 O ATOM 0 H SER A 2 -13.046 -0.331 15.296 1.00 0.00 H new ATOM 0 HA SER A 2 -13.893 0.518 17.170 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.843 -2.339 17.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.118 -1.359 18.649 1.00 0.00 H new ATOM 0 HG SER A 2 -16.868 -1.214 17.134 1.00 0.00 H new ATOM 19 N SER A 3 -11.440 -0.303 18.249 1.00 0.00 N ATOM 20 CA SER A 3 -10.421 -0.395 19.287 1.00 0.00 C ATOM 21 C SER A 3 -9.558 0.863 19.315 1.00 0.00 C ATOM 22 O SER A 3 -9.565 1.655 18.374 1.00 0.00 O ATOM 23 CB SER A 3 -9.541 -1.626 19.060 1.00 0.00 C ATOM 24 OG SER A 3 -8.896 -1.566 17.799 1.00 0.00 O ATOM 0 H SER A 3 -11.106 0.074 17.362 1.00 0.00 H new ATOM 0 HA SER A 3 -10.925 -0.490 20.249 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.794 -1.694 19.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.150 -2.528 19.118 1.00 0.00 H new ATOM 0 HG SER A 3 -8.338 -2.363 17.679 1.00 0.00 H new ATOM 30 N GLY A 4 -8.815 1.039 20.404 1.00 0.00 N ATOM 31 CA GLY A 4 -7.956 2.202 20.536 1.00 0.00 C ATOM 32 C GLY A 4 -7.181 2.497 19.267 1.00 0.00 C ATOM 33 O GLY A 4 -6.770 1.581 18.555 1.00 0.00 O ATOM 0 H GLY A 4 -8.793 0.397 21.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.562 3.069 20.798 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.256 2.042 21.356 1.00 0.00 H new ATOM 37 N SER A 5 -6.982 3.780 18.982 1.00 0.00 N ATOM 38 CA SER A 5 -6.256 4.194 17.787 1.00 0.00 C ATOM 39 C SER A 5 -4.785 4.446 18.105 1.00 0.00 C ATOM 40 O SER A 5 -4.194 5.416 17.632 1.00 0.00 O ATOM 41 CB SER A 5 -6.885 5.456 17.194 1.00 0.00 C ATOM 42 OG SER A 5 -8.013 5.139 16.398 1.00 0.00 O ATOM 0 H SER A 5 -7.313 4.551 19.562 1.00 0.00 H new ATOM 0 HA SER A 5 -6.319 3.388 17.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.181 6.130 17.998 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.147 5.984 16.590 1.00 0.00 H new ATOM 0 HG SER A 5 -8.397 5.963 16.032 1.00 0.00 H new ATOM 48 N SER A 6 -4.201 3.564 18.910 1.00 0.00 N ATOM 49 CA SER A 6 -2.801 3.692 19.295 1.00 0.00 C ATOM 50 C SER A 6 -1.893 3.001 18.282 1.00 0.00 C ATOM 51 O SER A 6 -1.603 1.811 18.401 1.00 0.00 O ATOM 52 CB SER A 6 -2.576 3.096 20.687 1.00 0.00 C ATOM 53 OG SER A 6 -1.237 3.280 21.110 1.00 0.00 O ATOM 0 H SER A 6 -4.676 2.754 19.308 1.00 0.00 H new ATOM 0 HA SER A 6 -2.552 4.753 19.316 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.254 3.565 21.401 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.813 2.032 20.673 1.00 0.00 H new ATOM 0 HG SER A 6 -1.120 2.892 22.002 1.00 0.00 H new ATOM 59 N GLY A 7 -1.448 3.757 17.283 1.00 0.00 N ATOM 60 CA GLY A 7 -0.579 3.202 16.262 1.00 0.00 C ATOM 61 C GLY A 7 -1.350 2.505 15.159 1.00 0.00 C ATOM 62 O GLY A 7 -2.000 1.487 15.396 1.00 0.00 O ATOM 0 H GLY A 7 -1.674 4.744 17.163 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.025 4.000 15.830 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.111 2.494 16.722 1.00 0.00 H new ATOM 66 N GLU A 8 -1.280 3.056 13.951 1.00 0.00 N ATOM 67 CA GLU A 8 -1.981 2.481 12.809 1.00 0.00 C ATOM 68 C GLU A 8 -1.014 1.725 11.902 1.00 0.00 C ATOM 69 O GLU A 8 -0.601 2.231 10.859 1.00 0.00 O ATOM 70 CB GLU A 8 -2.692 3.578 12.014 1.00 0.00 C ATOM 71 CG GLU A 8 -3.962 4.084 12.676 1.00 0.00 C ATOM 72 CD GLU A 8 -3.688 4.841 13.960 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.809 5.728 13.949 1.00 0.00 O ATOM 74 OE2 GLU A 8 -4.353 4.548 14.976 1.00 0.00 O ATOM 0 H GLU A 8 -0.746 3.898 13.738 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.723 1.777 13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.008 4.415 11.873 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.936 3.196 11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.495 4.734 11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.617 3.240 12.889 1.00 0.00 H new ATOM 81 N ASN A 9 -0.656 0.511 12.308 1.00 0.00 N ATOM 82 CA ASN A 9 0.263 -0.314 11.534 1.00 0.00 C ATOM 83 C ASN A 9 -0.186 -1.772 11.530 1.00 0.00 C ATOM 84 O ASN A 9 -0.338 -2.389 12.584 1.00 0.00 O ATOM 85 CB ASN A 9 1.680 -0.207 12.101 1.00 0.00 C ATOM 86 CG ASN A 9 2.148 1.230 12.219 1.00 0.00 C ATOM 87 OD1 ASN A 9 1.847 1.915 13.197 1.00 0.00 O ATOM 88 ND2 ASN A 9 2.889 1.695 11.220 1.00 0.00 N ATOM 0 H ASN A 9 -0.989 0.077 13.169 1.00 0.00 H new ATOM 0 HA ASN A 9 0.262 0.051 10.507 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.712 -0.679 13.083 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.368 -0.759 11.460 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.233 2.655 11.244 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.114 1.092 10.429 1.00 0.00 H new ATOM 95 N VAL A 10 -0.397 -2.318 10.336 1.00 0.00 N ATOM 96 CA VAL A 10 -0.827 -3.704 10.194 1.00 0.00 C ATOM 97 C VAL A 10 0.366 -4.633 10.004 1.00 0.00 C ATOM 98 O VAL A 10 1.180 -4.439 9.101 1.00 0.00 O ATOM 99 CB VAL A 10 -1.790 -3.873 9.004 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.317 -5.299 8.942 1.00 0.00 C ATOM 101 CG2 VAL A 10 -2.936 -2.877 9.100 1.00 0.00 C ATOM 0 H VAL A 10 -0.277 -1.821 9.453 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.347 -3.970 11.114 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.241 -3.673 8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.996 -5.400 8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.483 -5.990 8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.851 -5.530 9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.606 -3.011 8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.486 -3.043 10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.538 -1.862 9.091 1.00 0.00 H new ATOM 111 N TYR A 11 0.464 -5.643 10.861 1.00 0.00 N ATOM 112 CA TYR A 11 1.560 -6.603 10.790 1.00 0.00 C ATOM 113 C TYR A 11 1.079 -8.006 11.143 1.00 0.00 C ATOM 114 O TYR A 11 0.012 -8.180 11.732 1.00 0.00 O ATOM 115 CB TYR A 11 2.692 -6.187 11.731 1.00 0.00 C ATOM 116 CG TYR A 11 2.217 -5.436 12.954 1.00 0.00 C ATOM 117 CD1 TYR A 11 1.632 -6.106 14.022 1.00 0.00 C ATOM 118 CD2 TYR A 11 2.352 -4.056 13.043 1.00 0.00 C ATOM 119 CE1 TYR A 11 1.196 -5.424 15.141 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.921 -3.366 14.159 1.00 0.00 C ATOM 121 CZ TYR A 11 1.343 -4.054 15.205 1.00 0.00 C ATOM 122 OH TYR A 11 0.911 -3.370 16.318 1.00 0.00 O ATOM 0 H TYR A 11 -0.202 -5.819 11.613 1.00 0.00 H new ATOM 0 HA TYR A 11 1.934 -6.614 9.766 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.234 -7.077 12.049 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.398 -5.563 11.183 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.516 -7.179 13.976 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.802 -3.513 12.225 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.742 -5.960 15.961 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.036 -2.293 14.212 1.00 0.00 H new ATOM 0 HH TYR A 11 1.089 -2.413 16.204 1.00 0.00 H new ATOM 132 N GLY A 12 1.875 -9.007 10.780 1.00 0.00 N ATOM 133 CA GLY A 12 1.515 -10.383 11.067 1.00 0.00 C ATOM 134 C GLY A 12 2.485 -11.376 10.456 1.00 0.00 C ATOM 135 O GLY A 12 3.586 -11.007 10.046 1.00 0.00 O ATOM 0 H GLY A 12 2.763 -8.889 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.482 -10.529 12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.512 -10.579 10.688 1.00 0.00 H new ATOM 139 N TYR A 13 2.078 -12.639 10.397 1.00 0.00 N ATOM 140 CA TYR A 13 2.920 -13.688 9.836 1.00 0.00 C ATOM 141 C TYR A 13 2.409 -14.122 8.465 1.00 0.00 C ATOM 142 O TYR A 13 1.436 -14.871 8.361 1.00 0.00 O ATOM 143 CB TYR A 13 2.969 -14.891 10.779 1.00 0.00 C ATOM 144 CG TYR A 13 4.085 -14.818 11.796 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.262 -13.686 12.583 1.00 0.00 C ATOM 146 CD2 TYR A 13 4.964 -15.880 11.970 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.280 -13.614 13.513 1.00 0.00 C ATOM 148 CE2 TYR A 13 5.985 -15.817 12.899 1.00 0.00 C ATOM 149 CZ TYR A 13 6.139 -14.683 13.668 1.00 0.00 C ATOM 150 OH TYR A 13 7.155 -14.616 14.593 1.00 0.00 O ATOM 0 H TYR A 13 1.170 -12.961 10.731 1.00 0.00 H new ATOM 0 HA TYR A 13 3.926 -13.287 9.718 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.016 -14.971 11.303 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.085 -15.800 10.189 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.591 -12.848 12.465 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.847 -16.770 11.369 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.403 -12.726 14.116 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.659 -16.652 13.022 1.00 0.00 H new ATOM 0 HH TYR A 13 7.667 -15.451 14.577 1.00 0.00 H new ATOM 160 N LEU A 14 3.072 -13.648 7.417 1.00 0.00 N ATOM 161 CA LEU A 14 2.687 -13.987 6.051 1.00 0.00 C ATOM 162 C LEU A 14 3.722 -14.904 5.405 1.00 0.00 C ATOM 163 O LEU A 14 4.882 -14.932 5.814 1.00 0.00 O ATOM 164 CB LEU A 14 2.524 -12.716 5.216 1.00 0.00 C ATOM 165 CG LEU A 14 1.376 -11.791 5.620 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.483 -10.459 4.894 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.034 -12.449 5.334 1.00 0.00 C ATOM 0 H LEU A 14 3.879 -13.028 7.486 1.00 0.00 H new ATOM 0 HA LEU A 14 1.734 -14.515 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.455 -12.151 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.382 -13.005 4.175 1.00 0.00 H new ATOM 0 HG LEU A 14 1.446 -11.605 6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.657 -9.814 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.429 -9.981 5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.440 -10.627 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.771 -11.776 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.045 -12.666 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.044 -13.377 5.900 1.00 0.00 H new ATOM 179 N MET A 15 3.293 -15.651 4.393 1.00 0.00 N ATOM 180 CA MET A 15 4.183 -16.566 3.689 1.00 0.00 C ATOM 181 C MET A 15 4.780 -15.900 2.453 1.00 0.00 C ATOM 182 O MET A 15 4.239 -14.920 1.941 1.00 0.00 O ATOM 183 CB MET A 15 3.429 -17.835 3.284 1.00 0.00 C ATOM 184 CG MET A 15 3.070 -18.729 4.460 1.00 0.00 C ATOM 185 SD MET A 15 4.434 -19.796 4.963 1.00 0.00 S ATOM 186 CE MET A 15 4.170 -21.209 3.894 1.00 0.00 C ATOM 0 H MET A 15 2.335 -15.641 4.043 1.00 0.00 H new ATOM 0 HA MET A 15 4.995 -16.834 4.364 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.516 -17.554 2.760 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.039 -18.401 2.580 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.769 -18.109 5.304 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.211 -19.345 4.194 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.131 -21.586 3.545 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.652 -21.992 4.448 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.565 -20.910 3.038 1.00 0.00 H new ATOM 196 N LYS A 16 5.899 -16.438 1.979 1.00 0.00 N ATOM 197 CA LYS A 16 6.571 -15.897 0.803 1.00 0.00 C ATOM 198 C LYS A 16 7.159 -17.016 -0.050 1.00 0.00 C ATOM 199 O LYS A 16 7.641 -18.021 0.473 1.00 0.00 O ATOM 200 CB LYS A 16 7.677 -14.926 1.223 1.00 0.00 C ATOM 201 CG LYS A 16 8.144 -14.015 0.102 1.00 0.00 C ATOM 202 CD LYS A 16 9.194 -13.029 0.586 1.00 0.00 C ATOM 203 CE LYS A 16 9.648 -12.104 -0.533 1.00 0.00 C ATOM 204 NZ LYS A 16 10.768 -12.692 -1.319 1.00 0.00 N ATOM 0 H LYS A 16 6.360 -17.249 2.392 1.00 0.00 H new ATOM 0 HA LYS A 16 5.832 -15.360 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.317 -14.315 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.528 -15.497 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.554 -14.616 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.292 -13.470 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.788 -12.437 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.052 -13.574 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.808 -11.897 -1.196 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.963 -11.150 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.048 -12.031 -2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.579 -12.866 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.460 -13.590 -1.744 1.00 0.00 H new ATOM 218 N TYR A 17 7.118 -16.834 -1.365 1.00 0.00 N ATOM 219 CA TYR A 17 7.646 -17.829 -2.291 1.00 0.00 C ATOM 220 C TYR A 17 9.126 -17.584 -2.567 1.00 0.00 C ATOM 221 O TYR A 17 9.489 -16.695 -3.339 1.00 0.00 O ATOM 222 CB TYR A 17 6.860 -17.804 -3.603 1.00 0.00 C ATOM 223 CG TYR A 17 6.809 -19.142 -4.304 1.00 0.00 C ATOM 224 CD1 TYR A 17 7.949 -19.694 -4.875 1.00 0.00 C ATOM 225 CD2 TYR A 17 5.620 -19.856 -4.396 1.00 0.00 C ATOM 226 CE1 TYR A 17 7.907 -20.916 -5.517 1.00 0.00 C ATOM 227 CE2 TYR A 17 5.569 -21.080 -5.035 1.00 0.00 C ATOM 228 CZ TYR A 17 6.715 -21.605 -5.594 1.00 0.00 C ATOM 229 OH TYR A 17 6.669 -22.824 -6.232 1.00 0.00 O ATOM 0 H TYR A 17 6.725 -16.007 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 17 7.538 -18.811 -1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.842 -17.470 -3.401 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.309 -17.070 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.885 -19.158 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.720 -19.447 -3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.803 -21.330 -5.956 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.637 -21.622 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 17 5.756 -23.177 -6.197 1.00 0.00 H new ATOM 239 N THR A 18 9.980 -18.381 -1.931 1.00 0.00 N ATOM 240 CA THR A 18 11.421 -18.253 -2.107 1.00 0.00 C ATOM 241 C THR A 18 11.883 -18.940 -3.386 1.00 0.00 C ATOM 242 O THR A 18 12.506 -18.318 -4.246 1.00 0.00 O ATOM 243 CB THR A 18 12.188 -18.850 -0.911 1.00 0.00 C ATOM 244 OG1 THR A 18 12.006 -20.269 -0.873 1.00 0.00 O ATOM 245 CG2 THR A 18 11.713 -18.236 0.397 1.00 0.00 C ATOM 0 H THR A 18 9.698 -19.122 -1.289 1.00 0.00 H new ATOM 0 HA THR A 18 11.637 -17.187 -2.173 1.00 0.00 H new ATOM 0 HB THR A 18 13.247 -18.623 -1.036 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.498 -20.642 -0.112 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.269 -18.673 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.880 -17.159 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.649 -18.435 0.527 1.00 0.00 H new ATOM 253 N ASN A 19 11.572 -20.226 -3.507 1.00 0.00 N ATOM 254 CA ASN A 19 11.955 -20.998 -4.683 1.00 0.00 C ATOM 255 C ASN A 19 10.963 -22.129 -4.939 1.00 0.00 C ATOM 256 O ASN A 19 9.987 -22.291 -4.206 1.00 0.00 O ATOM 257 CB ASN A 19 13.363 -21.571 -4.507 1.00 0.00 C ATOM 258 CG ASN A 19 14.348 -20.537 -3.995 1.00 0.00 C ATOM 259 OD1 ASN A 19 14.802 -19.672 -4.745 1.00 0.00 O ATOM 260 ND2 ASN A 19 14.682 -20.622 -2.713 1.00 0.00 N ATOM 0 H ASN A 19 11.056 -20.756 -2.805 1.00 0.00 H new ATOM 0 HA ASN A 19 11.947 -20.329 -5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.327 -22.410 -3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.715 -21.963 -5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.340 -19.954 -2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.281 -21.356 -2.129 1.00 0.00 H new ATOM 267 N LEU A 20 11.220 -22.908 -5.984 1.00 0.00 N ATOM 268 CA LEU A 20 10.350 -24.025 -6.337 1.00 0.00 C ATOM 269 C LEU A 20 10.422 -25.126 -5.284 1.00 0.00 C ATOM 270 O LEU A 20 9.417 -25.472 -4.662 1.00 0.00 O ATOM 271 CB LEU A 20 10.739 -24.587 -7.706 1.00 0.00 C ATOM 272 CG LEU A 20 10.490 -23.670 -8.903 1.00 0.00 C ATOM 273 CD1 LEU A 20 10.158 -24.488 -10.142 1.00 0.00 C ATOM 274 CD2 LEU A 20 9.372 -22.684 -8.597 1.00 0.00 C ATOM 0 H LEU A 20 12.023 -22.787 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 20 9.325 -23.656 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.798 -24.843 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.190 -25.515 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 20 11.401 -23.105 -9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.984 -23.818 -10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.990 -25.153 -10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.261 -25.080 -9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.209 -22.039 -9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.456 -23.231 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.650 -22.075 -7.737 1.00 0.00 H new ATOM 286 N VAL A 21 11.618 -25.671 -5.086 1.00 0.00 N ATOM 287 CA VAL A 21 11.822 -26.730 -4.105 1.00 0.00 C ATOM 288 C VAL A 21 11.149 -26.390 -2.780 1.00 0.00 C ATOM 289 O VAL A 21 10.340 -27.162 -2.265 1.00 0.00 O ATOM 290 CB VAL A 21 13.321 -26.984 -3.856 1.00 0.00 C ATOM 291 CG1 VAL A 21 14.031 -25.685 -3.504 1.00 0.00 C ATOM 292 CG2 VAL A 21 13.511 -28.019 -2.758 1.00 0.00 C ATOM 0 H VAL A 21 12.460 -25.397 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 21 11.371 -27.633 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 21 13.763 -27.375 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.089 -25.884 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.924 -24.978 -4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.589 -25.262 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.576 -28.186 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.055 -27.659 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.038 -28.955 -3.055 1.00 0.00 H new ATOM 302 N THR A 22 11.487 -25.227 -2.232 1.00 0.00 N ATOM 303 CA THR A 22 10.917 -24.783 -0.967 1.00 0.00 C ATOM 304 C THR A 22 9.425 -24.503 -1.105 1.00 0.00 C ATOM 305 O THR A 22 8.618 -24.972 -0.303 1.00 0.00 O ATOM 306 CB THR A 22 11.620 -23.515 -0.447 1.00 0.00 C ATOM 307 OG1 THR A 22 13.038 -23.647 -0.592 1.00 0.00 O ATOM 308 CG2 THR A 22 11.275 -23.265 1.013 1.00 0.00 C ATOM 0 H THR A 22 12.154 -24.575 -2.646 1.00 0.00 H new ATOM 0 HA THR A 22 11.068 -25.591 -0.252 1.00 0.00 H new ATOM 0 HB THR A 22 11.273 -22.666 -1.036 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.478 -22.836 -0.261 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.783 -22.364 1.358 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.198 -23.136 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.597 -24.116 1.614 1.00 0.00 H new ATOM 316 N GLY A 23 9.064 -23.734 -2.128 1.00 0.00 N ATOM 317 CA GLY A 23 7.668 -23.405 -2.353 1.00 0.00 C ATOM 318 C GLY A 23 7.246 -22.143 -1.627 1.00 0.00 C ATOM 319 O GLY A 23 7.037 -21.102 -2.250 1.00 0.00 O ATOM 0 H GLY A 23 9.713 -23.333 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.495 -23.281 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.044 -24.236 -2.023 1.00 0.00 H new ATOM 323 N TRP A 24 7.119 -22.236 -0.309 1.00 0.00 N ATOM 324 CA TRP A 24 6.717 -21.092 0.502 1.00 0.00 C ATOM 325 C TRP A 24 7.399 -21.124 1.865 1.00 0.00 C ATOM 326 O TRP A 24 7.953 -22.147 2.267 1.00 0.00 O ATOM 327 CB TRP A 24 5.198 -21.075 0.679 1.00 0.00 C ATOM 328 CG TRP A 24 4.449 -21.061 -0.620 1.00 0.00 C ATOM 329 CD1 TRP A 24 4.382 -22.070 -1.538 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.663 -19.986 -1.144 1.00 0.00 C ATOM 331 NE1 TRP A 24 3.602 -21.686 -2.602 1.00 0.00 N ATOM 332 CE2 TRP A 24 3.148 -20.413 -2.384 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.341 -18.705 -0.687 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.332 -19.603 -3.169 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.532 -17.902 -1.467 1.00 0.00 C ATOM 336 CH2 TRP A 24 2.034 -18.353 -2.697 1.00 0.00 C ATOM 0 H TRP A 24 7.288 -23.091 0.221 1.00 0.00 H new ATOM 0 HA TRP A 24 7.026 -20.184 -0.017 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.897 -21.950 1.255 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.917 -20.198 1.262 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.870 -23.029 -1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.395 -22.257 -3.421 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.718 -18.349 0.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.948 -19.949 -4.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.279 -16.910 -1.123 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.403 -17.702 -3.284 1.00 0.00 H new ATOM 347 N GLN A 25 7.355 -19.999 2.572 1.00 0.00 N ATOM 348 CA GLN A 25 7.970 -19.901 3.890 1.00 0.00 C ATOM 349 C GLN A 25 7.285 -18.828 4.731 1.00 0.00 C ATOM 350 O GLN A 25 7.010 -17.729 4.249 1.00 0.00 O ATOM 351 CB GLN A 25 9.461 -19.587 3.758 1.00 0.00 C ATOM 352 CG GLN A 25 10.336 -20.826 3.649 1.00 0.00 C ATOM 353 CD GLN A 25 11.740 -20.596 4.171 1.00 0.00 C ATOM 354 OE1 GLN A 25 12.735 -20.874 3.337 1.00 0.00 O flip ATOM 355 NE2 GLN A 25 11.929 -20.174 5.312 1.00 0.00 N flip ATOM 0 H GLN A 25 6.900 -19.143 2.254 1.00 0.00 H new ATOM 0 HA GLN A 25 7.851 -20.861 4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.616 -18.964 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.779 -19.003 4.622 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.875 -21.642 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.387 -21.140 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.135 -19.973 5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.880 -20.025 5.650 1.00 0.00 H new ATOM 364 N TYR A 26 7.013 -19.155 5.990 1.00 0.00 N ATOM 365 CA TYR A 26 6.358 -18.221 6.897 1.00 0.00 C ATOM 366 C TYR A 26 7.323 -17.126 7.342 1.00 0.00 C ATOM 367 O TYR A 26 8.495 -17.389 7.612 1.00 0.00 O ATOM 368 CB TYR A 26 5.812 -18.962 8.119 1.00 0.00 C ATOM 369 CG TYR A 26 4.395 -19.459 7.942 1.00 0.00 C ATOM 370 CD1 TYR A 26 3.346 -18.570 7.742 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.105 -20.818 7.973 1.00 0.00 C ATOM 372 CE1 TYR A 26 2.050 -19.020 7.581 1.00 0.00 C ATOM 373 CE2 TYR A 26 2.813 -21.277 7.811 1.00 0.00 C ATOM 374 CZ TYR A 26 1.788 -20.374 7.616 1.00 0.00 C ATOM 375 OH TYR A 26 0.499 -20.826 7.454 1.00 0.00 O ATOM 0 H TYR A 26 7.236 -20.060 6.405 1.00 0.00 H new ATOM 0 HA TYR A 26 5.530 -17.755 6.362 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.461 -19.810 8.339 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.850 -18.298 8.983 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.547 -17.509 7.712 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.905 -21.528 8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.246 -18.315 7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.606 -22.337 7.837 1.00 0.00 H new ATOM 0 HH TYR A 26 0.487 -21.805 7.504 1.00 0.00 H new ATOM 385 N ARG A 27 6.821 -15.898 7.417 1.00 0.00 N ATOM 386 CA ARG A 27 7.637 -14.762 7.829 1.00 0.00 C ATOM 387 C ARG A 27 6.772 -13.665 8.442 1.00 0.00 C ATOM 388 O ARG A 27 5.549 -13.673 8.302 1.00 0.00 O ATOM 389 CB ARG A 27 8.414 -14.206 6.634 1.00 0.00 C ATOM 390 CG ARG A 27 9.691 -14.972 6.328 1.00 0.00 C ATOM 391 CD ARG A 27 10.743 -14.072 5.701 1.00 0.00 C ATOM 392 NE ARG A 27 11.806 -14.839 5.056 1.00 0.00 N ATOM 393 CZ ARG A 27 11.719 -15.322 3.821 1.00 0.00 C ATOM 394 NH1 ARG A 27 10.624 -15.117 3.102 1.00 0.00 N ATOM 395 NH2 ARG A 27 12.728 -16.010 3.304 1.00 0.00 N ATOM 0 H ARG A 27 5.853 -15.664 7.198 1.00 0.00 H new ATOM 0 HA ARG A 27 8.343 -15.108 8.584 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.771 -14.222 5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.664 -13.163 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.084 -15.408 7.246 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.468 -15.798 5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.271 -13.419 4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.174 -13.429 6.469 1.00 0.00 H new ATOM 0 HE ARG A 27 12.662 -15.013 5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.846 -14.588 3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.559 -15.489 2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.572 -16.169 3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.660 -16.380 2.356 1.00 0.00 H new ATOM 409 N PHE A 28 7.416 -12.723 9.123 1.00 0.00 N ATOM 410 CA PHE A 28 6.706 -11.619 9.759 1.00 0.00 C ATOM 411 C PHE A 28 6.741 -10.372 8.881 1.00 0.00 C ATOM 412 O PHE A 28 7.810 -9.847 8.570 1.00 0.00 O ATOM 413 CB PHE A 28 7.319 -11.312 11.127 1.00 0.00 C ATOM 414 CG PHE A 28 6.726 -10.102 11.791 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.382 -10.068 12.127 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.513 -8.998 12.080 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.834 -8.956 12.737 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.971 -7.883 12.691 1.00 0.00 C ATOM 419 CZ PHE A 28 5.630 -7.863 13.021 1.00 0.00 C ATOM 0 H PHE A 28 8.428 -12.702 9.249 1.00 0.00 H new ATOM 0 HA PHE A 28 5.666 -11.917 9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.186 -12.176 11.778 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.392 -11.163 11.010 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.756 -10.921 11.910 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.562 -9.009 11.825 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.785 -8.941 12.992 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.595 -7.029 12.910 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.204 -6.994 13.500 1.00 0.00 H new ATOM 429 N PHE A 29 5.563 -9.902 8.485 1.00 0.00 N ATOM 430 CA PHE A 29 5.457 -8.717 7.641 1.00 0.00 C ATOM 431 C PHE A 29 4.894 -7.537 8.429 1.00 0.00 C ATOM 432 O PHE A 29 4.065 -7.711 9.321 1.00 0.00 O ATOM 433 CB PHE A 29 4.569 -9.005 6.429 1.00 0.00 C ATOM 434 CG PHE A 29 5.244 -9.838 5.376 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.589 -11.155 5.632 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.533 -9.303 4.131 1.00 0.00 C ATOM 437 CE1 PHE A 29 6.210 -11.923 4.666 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.154 -10.066 3.161 1.00 0.00 C ATOM 439 CZ PHE A 29 6.492 -11.378 3.428 1.00 0.00 C ATOM 0 H PHE A 29 4.668 -10.323 8.735 1.00 0.00 H new ATOM 0 HA PHE A 29 6.458 -8.457 7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.667 -9.517 6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.254 -8.060 5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.370 -11.586 6.598 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.270 -8.278 3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.475 -12.948 4.878 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.375 -9.637 2.195 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.976 -11.977 2.671 1.00 0.00 H new ATOM 449 N VAL A 30 5.353 -6.336 8.092 1.00 0.00 N ATOM 450 CA VAL A 30 4.896 -5.126 8.766 1.00 0.00 C ATOM 451 C VAL A 30 4.614 -4.012 7.764 1.00 0.00 C ATOM 452 O VAL A 30 5.480 -3.641 6.971 1.00 0.00 O ATOM 453 CB VAL A 30 5.932 -4.630 9.791 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.456 -3.345 10.452 1.00 0.00 C ATOM 455 CG2 VAL A 30 6.207 -5.704 10.833 1.00 0.00 C ATOM 0 H VAL A 30 6.041 -6.175 7.356 1.00 0.00 H new ATOM 0 HA VAL A 30 3.974 -5.383 9.288 1.00 0.00 H new ATOM 0 HB VAL A 30 6.864 -4.418 9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.201 -3.009 11.173 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.314 -2.576 9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.511 -3.528 10.964 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.942 -5.336 11.549 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.282 -5.950 11.355 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.594 -6.597 10.342 1.00 0.00 H new ATOM 465 N LEU A 31 3.397 -3.481 7.806 1.00 0.00 N ATOM 466 CA LEU A 31 3.000 -2.407 6.902 1.00 0.00 C ATOM 467 C LEU A 31 3.208 -1.043 7.552 1.00 0.00 C ATOM 468 O LEU A 31 3.006 -0.880 8.754 1.00 0.00 O ATOM 469 CB LEU A 31 1.534 -2.572 6.495 1.00 0.00 C ATOM 470 CG LEU A 31 0.939 -1.441 5.655 1.00 0.00 C ATOM 471 CD1 LEU A 31 1.338 -1.593 4.196 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.576 -1.412 5.796 1.00 0.00 C ATOM 0 H LEU A 31 2.668 -3.776 8.456 1.00 0.00 H new ATOM 0 HA LEU A 31 3.627 -2.464 6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.435 -3.503 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.936 -2.678 7.400 1.00 0.00 H new ATOM 0 HG LEU A 31 1.336 -0.494 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.905 -0.779 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.424 -1.563 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.971 -2.546 3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.982 -0.601 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.991 -2.361 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.841 -1.253 6.841 1.00 0.00 H new ATOM 484 N ASN A 32 3.611 -0.065 6.747 1.00 0.00 N ATOM 485 CA ASN A 32 3.845 1.286 7.244 1.00 0.00 C ATOM 486 C ASN A 32 2.894 2.280 6.585 1.00 0.00 C ATOM 487 O ASN A 32 2.952 2.504 5.377 1.00 0.00 O ATOM 488 CB ASN A 32 5.295 1.703 6.986 1.00 0.00 C ATOM 489 CG ASN A 32 5.750 2.814 7.911 1.00 0.00 C ATOM 490 OD1 ASN A 32 4.935 3.471 8.559 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.059 3.030 7.977 1.00 0.00 N ATOM 0 H ASN A 32 3.782 -0.183 5.748 1.00 0.00 H new ATOM 0 HA ASN A 32 3.659 1.289 8.318 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.947 0.839 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.397 2.030 5.951 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.425 3.765 8.583 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.698 2.461 7.422 1.00 0.00 H new ATOM 498 N ASN A 33 2.017 2.874 7.390 1.00 0.00 N ATOM 499 CA ASN A 33 1.053 3.844 6.885 1.00 0.00 C ATOM 500 C ASN A 33 1.672 5.236 6.806 1.00 0.00 C ATOM 501 O ASN A 33 1.529 5.933 5.802 1.00 0.00 O ATOM 502 CB ASN A 33 -0.187 3.876 7.782 1.00 0.00 C ATOM 503 CG ASN A 33 -0.972 5.165 7.638 1.00 0.00 C ATOM 504 OD1 ASN A 33 -1.676 5.369 6.649 1.00 0.00 O ATOM 505 ND2 ASN A 33 -0.853 6.043 8.628 1.00 0.00 N ATOM 0 H ASN A 33 1.955 2.700 8.393 1.00 0.00 H new ATOM 0 HA ASN A 33 0.760 3.538 5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.832 3.032 7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.117 3.753 8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.357 6.929 8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.258 5.831 9.429 1.00 0.00 H new ATOM 512 N GLU A 34 2.361 5.633 7.871 1.00 0.00 N ATOM 513 CA GLU A 34 3.002 6.942 7.921 1.00 0.00 C ATOM 514 C GLU A 34 3.960 7.124 6.747 1.00 0.00 C ATOM 515 O GLU A 34 4.022 8.195 6.144 1.00 0.00 O ATOM 516 CB GLU A 34 3.758 7.114 9.241 1.00 0.00 C ATOM 517 CG GLU A 34 4.683 5.954 9.568 1.00 0.00 C ATOM 518 CD GLU A 34 5.658 6.282 10.683 1.00 0.00 C ATOM 519 OE1 GLU A 34 6.496 7.187 10.489 1.00 0.00 O ATOM 520 OE2 GLU A 34 5.583 5.634 11.747 1.00 0.00 O ATOM 0 H GLU A 34 2.490 5.068 8.710 1.00 0.00 H new ATOM 0 HA GLU A 34 2.224 7.702 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.343 8.033 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.037 7.232 10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.086 5.088 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.240 5.675 8.674 1.00 0.00 H new ATOM 527 N ALA A 35 4.704 6.070 6.429 1.00 0.00 N ATOM 528 CA ALA A 35 5.657 6.112 5.326 1.00 0.00 C ATOM 529 C ALA A 35 5.027 5.598 4.036 1.00 0.00 C ATOM 530 O ALA A 35 5.017 6.291 3.020 1.00 0.00 O ATOM 531 CB ALA A 35 6.898 5.302 5.670 1.00 0.00 C ATOM 0 H ALA A 35 4.665 5.176 6.919 1.00 0.00 H new ATOM 0 HA ALA A 35 5.947 7.151 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.601 5.342 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.368 5.717 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.616 4.266 5.857 1.00 0.00 H new ATOM 537 N GLY A 36 4.502 4.377 4.085 1.00 0.00 N ATOM 538 CA GLY A 36 3.879 3.791 2.913 1.00 0.00 C ATOM 539 C GLY A 36 4.736 2.714 2.278 1.00 0.00 C ATOM 540 O GLY A 36 4.638 2.461 1.076 1.00 0.00 O ATOM 0 H GLY A 36 4.497 3.784 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.915 3.366 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.682 4.574 2.180 1.00 0.00 H new ATOM 544 N LEU A 37 5.579 2.079 3.084 1.00 0.00 N ATOM 545 CA LEU A 37 6.459 1.024 2.594 1.00 0.00 C ATOM 546 C LEU A 37 6.136 -0.309 3.261 1.00 0.00 C ATOM 547 O LEU A 37 5.791 -0.357 4.442 1.00 0.00 O ATOM 548 CB LEU A 37 7.922 1.393 2.848 1.00 0.00 C ATOM 549 CG LEU A 37 8.567 2.326 1.822 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.672 3.148 2.468 1.00 0.00 C ATOM 551 CD2 LEU A 37 9.112 1.529 0.646 1.00 0.00 C ATOM 0 H LEU A 37 5.672 2.276 4.080 1.00 0.00 H new ATOM 0 HA LEU A 37 6.298 0.921 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.993 1.861 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.506 0.473 2.891 1.00 0.00 H new ATOM 0 HG LEU A 37 7.804 3.010 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.119 3.806 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.254 3.747 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.436 2.481 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.567 2.209 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.861 0.822 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.298 0.985 0.167 1.00 0.00 H new ATOM 563 N LEU A 38 6.252 -1.390 2.497 1.00 0.00 N ATOM 564 CA LEU A 38 5.974 -2.725 3.015 1.00 0.00 C ATOM 565 C LEU A 38 7.266 -3.509 3.222 1.00 0.00 C ATOM 566 O LEU A 38 7.964 -3.837 2.263 1.00 0.00 O ATOM 567 CB LEU A 38 5.053 -3.483 2.057 1.00 0.00 C ATOM 568 CG LEU A 38 4.820 -4.960 2.378 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.737 -5.114 3.433 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.452 -5.728 1.116 1.00 0.00 C ATOM 0 H LEU A 38 6.536 -1.368 1.518 1.00 0.00 H new ATOM 0 HA LEU A 38 5.477 -2.618 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.087 -2.979 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.469 -3.411 1.052 1.00 0.00 H new ATOM 0 HG LEU A 38 5.746 -5.376 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.586 -6.172 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.041 -4.599 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.806 -4.682 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.290 -6.777 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.540 -5.311 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.262 -5.647 0.391 1.00 0.00 H new ATOM 582 N GLU A 39 7.577 -3.807 4.479 1.00 0.00 N ATOM 583 CA GLU A 39 8.785 -4.553 4.811 1.00 0.00 C ATOM 584 C GLU A 39 8.444 -5.827 5.578 1.00 0.00 C ATOM 585 O GLU A 39 7.324 -5.992 6.063 1.00 0.00 O ATOM 586 CB GLU A 39 9.736 -3.686 5.639 1.00 0.00 C ATOM 587 CG GLU A 39 9.843 -2.254 5.141 1.00 0.00 C ATOM 588 CD GLU A 39 10.975 -1.491 5.800 1.00 0.00 C ATOM 589 OE1 GLU A 39 12.021 -2.110 6.088 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.815 -0.273 6.028 1.00 0.00 O ATOM 0 H GLU A 39 7.009 -3.543 5.284 1.00 0.00 H new ATOM 0 HA GLU A 39 9.277 -4.831 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.397 -3.677 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.727 -4.139 5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.993 -2.259 4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.903 -1.736 5.330 1.00 0.00 H new ATOM 597 N TYR A 40 9.416 -6.726 5.683 1.00 0.00 N ATOM 598 CA TYR A 40 9.219 -7.987 6.387 1.00 0.00 C ATOM 599 C TYR A 40 10.533 -8.494 6.975 1.00 0.00 C ATOM 600 O TYR A 40 11.609 -8.235 6.436 1.00 0.00 O ATOM 601 CB TYR A 40 8.631 -9.037 5.443 1.00 0.00 C ATOM 602 CG TYR A 40 9.510 -9.338 4.250 1.00 0.00 C ATOM 603 CD1 TYR A 40 9.668 -8.411 3.227 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.182 -10.550 4.145 1.00 0.00 C ATOM 605 CE1 TYR A 40 10.470 -8.682 2.135 1.00 0.00 C ATOM 606 CE2 TYR A 40 10.987 -10.828 3.057 1.00 0.00 C ATOM 607 CZ TYR A 40 11.127 -9.891 2.055 1.00 0.00 C ATOM 608 OH TYR A 40 11.927 -10.166 0.969 1.00 0.00 O ATOM 0 H TYR A 40 10.349 -6.605 5.289 1.00 0.00 H new ATOM 0 HA TYR A 40 8.520 -7.811 7.204 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.460 -9.959 5.999 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.659 -8.693 5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.155 -7.462 3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.073 -11.287 4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.581 -7.950 1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.504 -11.774 2.992 1.00 0.00 H new ATOM 0 HH TYR A 40 12.317 -11.059 1.068 1.00 0.00 H new ATOM 618 N PHE A 41 10.436 -9.220 8.084 1.00 0.00 N ATOM 619 CA PHE A 41 11.615 -9.764 8.747 1.00 0.00 C ATOM 620 C PHE A 41 11.348 -11.176 9.259 1.00 0.00 C ATOM 621 O PHE A 41 10.215 -11.525 9.589 1.00 0.00 O ATOM 622 CB PHE A 41 12.037 -8.860 9.907 1.00 0.00 C ATOM 623 CG PHE A 41 12.010 -7.397 9.567 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.814 -6.762 9.276 1.00 0.00 C ATOM 625 CD2 PHE A 41 13.181 -6.656 9.540 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.786 -5.416 8.962 1.00 0.00 C ATOM 627 CE2 PHE A 41 13.159 -5.310 9.228 1.00 0.00 C ATOM 628 CZ PHE A 41 11.960 -4.689 8.940 1.00 0.00 C ATOM 0 H PHE A 41 9.553 -9.445 8.542 1.00 0.00 H new ATOM 0 HA PHE A 41 12.423 -9.808 8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.377 -9.040 10.756 1.00 0.00 H new ATOM 0 HB3 PHE A 41 13.044 -9.133 10.222 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.893 -7.325 9.295 1.00 0.00 H new ATOM 0 HD2 PHE A 41 14.122 -7.136 9.765 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.847 -4.933 8.734 1.00 0.00 H new ATOM 0 HE2 PHE A 41 14.079 -4.744 9.209 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.940 -3.637 8.698 1.00 0.00 H new ATOM 638 N VAL A 42 12.401 -11.985 9.322 1.00 0.00 N ATOM 639 CA VAL A 42 12.282 -13.360 9.794 1.00 0.00 C ATOM 640 C VAL A 42 11.280 -13.462 10.939 1.00 0.00 C ATOM 641 O VAL A 42 10.364 -14.282 10.903 1.00 0.00 O ATOM 642 CB VAL A 42 13.641 -13.911 10.264 1.00 0.00 C ATOM 643 CG1 VAL A 42 14.362 -14.603 9.117 1.00 0.00 C ATOM 644 CG2 VAL A 42 14.496 -12.796 10.847 1.00 0.00 C ATOM 0 H VAL A 42 13.346 -11.712 9.052 1.00 0.00 H new ATOM 0 HA VAL A 42 11.929 -13.955 8.952 1.00 0.00 H new ATOM 0 HB VAL A 42 13.463 -14.648 11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.320 -14.986 9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.753 -15.429 8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.530 -13.890 8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.452 -13.204 11.174 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.667 -12.034 10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.982 -12.350 11.698 1.00 0.00 H new ATOM 654 N ASN A 43 11.463 -12.624 11.954 1.00 0.00 N ATOM 655 CA ASN A 43 10.575 -12.621 13.111 1.00 0.00 C ATOM 656 C ASN A 43 10.471 -11.223 13.713 1.00 0.00 C ATOM 657 O ASN A 43 11.294 -10.353 13.432 1.00 0.00 O ATOM 658 CB ASN A 43 11.076 -13.607 14.168 1.00 0.00 C ATOM 659 CG ASN A 43 12.586 -13.586 14.308 1.00 0.00 C ATOM 660 OD1 ASN A 43 13.098 -12.607 15.044 1.00 0.00 O flip ATOM 661 ND2 ASN A 43 13.283 -14.441 13.761 1.00 0.00 N flip ATOM 0 H ASN A 43 12.217 -11.939 11.999 1.00 0.00 H new ATOM 0 HA ASN A 43 9.584 -12.929 12.777 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.621 -13.367 15.129 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.752 -14.614 13.904 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.846 -15.176 13.204 1.00 0.00 H new ATOM 0 HD22 ASN A 43 14.297 -14.415 13.865 1.00 0.00 H new ATOM 668 N GLU A 44 9.453 -11.015 14.543 1.00 0.00 N ATOM 669 CA GLU A 44 9.242 -9.723 15.184 1.00 0.00 C ATOM 670 C GLU A 44 10.483 -9.291 15.960 1.00 0.00 C ATOM 671 O GLU A 44 10.815 -8.107 16.009 1.00 0.00 O ATOM 672 CB GLU A 44 8.036 -9.785 16.123 1.00 0.00 C ATOM 673 CG GLU A 44 7.514 -8.419 16.535 1.00 0.00 C ATOM 674 CD GLU A 44 6.541 -8.492 17.696 1.00 0.00 C ATOM 675 OE1 GLU A 44 5.927 -9.563 17.888 1.00 0.00 O ATOM 676 OE2 GLU A 44 6.393 -7.480 18.412 1.00 0.00 O ATOM 0 H GLU A 44 8.762 -11.725 14.787 1.00 0.00 H new ATOM 0 HA GLU A 44 9.048 -8.987 14.404 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.234 -10.339 15.635 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.311 -10.344 17.017 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.354 -7.781 16.809 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.022 -7.950 15.683 1.00 0.00 H new ATOM 683 N GLN A 45 11.163 -10.260 16.564 1.00 0.00 N ATOM 684 CA GLN A 45 12.366 -9.981 17.338 1.00 0.00 C ATOM 685 C GLN A 45 13.476 -9.438 16.443 1.00 0.00 C ATOM 686 O GLN A 45 14.396 -8.770 16.914 1.00 0.00 O ATOM 687 CB GLN A 45 12.844 -11.246 18.053 1.00 0.00 C ATOM 688 CG GLN A 45 14.335 -11.251 18.348 1.00 0.00 C ATOM 689 CD GLN A 45 14.688 -12.099 19.555 1.00 0.00 C ATOM 690 OE1 GLN A 45 14.325 -13.273 19.631 1.00 0.00 O ATOM 691 NE2 GLN A 45 15.400 -11.507 20.507 1.00 0.00 N ATOM 0 H GLN A 45 10.901 -11.245 16.532 1.00 0.00 H new ATOM 0 HA GLN A 45 12.121 -9.223 18.082 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.296 -11.353 18.989 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.600 -12.114 17.440 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.873 -11.624 17.477 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.672 -10.228 18.516 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.680 -10.532 20.403 1.00 0.00 H new ATOM 0 HE22 GLN A 45 15.667 -12.028 21.342 1.00 0.00 H new ATOM 700 N SER A 46 13.382 -9.730 15.150 1.00 0.00 N ATOM 701 CA SER A 46 14.380 -9.275 14.189 1.00 0.00 C ATOM 702 C SER A 46 13.919 -8.001 13.488 1.00 0.00 C ATOM 703 O SER A 46 14.134 -7.827 12.289 1.00 0.00 O ATOM 704 CB SER A 46 14.658 -10.368 13.155 1.00 0.00 C ATOM 705 OG SER A 46 15.966 -10.244 12.622 1.00 0.00 O ATOM 0 H SER A 46 12.625 -10.280 14.744 1.00 0.00 H new ATOM 0 HA SER A 46 15.299 -9.057 14.733 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.541 -11.348 13.617 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.926 -10.306 12.350 1.00 0.00 H new ATOM 0 HG SER A 46 16.126 -10.964 11.977 1.00 0.00 H new ATOM 711 N ARG A 47 13.283 -7.114 14.246 1.00 0.00 N ATOM 712 CA ARG A 47 12.789 -5.856 13.699 1.00 0.00 C ATOM 713 C ARG A 47 13.936 -4.876 13.469 1.00 0.00 C ATOM 714 O ARG A 47 14.009 -4.223 12.429 1.00 0.00 O ATOM 715 CB ARG A 47 11.756 -5.236 14.641 1.00 0.00 C ATOM 716 CG ARG A 47 10.330 -5.678 14.357 1.00 0.00 C ATOM 717 CD ARG A 47 9.370 -5.187 15.429 1.00 0.00 C ATOM 718 NE ARG A 47 9.286 -3.730 15.463 1.00 0.00 N ATOM 719 CZ ARG A 47 8.337 -3.063 16.110 1.00 0.00 C ATOM 720 NH1 ARG A 47 7.395 -3.720 16.773 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.328 -1.736 16.094 1.00 0.00 N ATOM 0 H ARG A 47 13.098 -7.243 15.241 1.00 0.00 H new ATOM 0 HA ARG A 47 12.316 -6.067 12.740 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.011 -5.497 15.668 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.813 -4.150 14.565 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.017 -5.297 13.385 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.289 -6.766 14.301 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.379 -5.603 15.246 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.695 -5.554 16.402 1.00 0.00 H new ATOM 0 HE ARG A 47 9.995 -3.195 14.962 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.398 -4.740 16.787 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.667 -3.205 17.269 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.050 -1.227 15.584 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.599 -1.225 16.591 1.00 0.00 H new ATOM 735 N ASN A 48 14.830 -4.778 14.448 1.00 0.00 N ATOM 736 CA ASN A 48 15.972 -3.877 14.353 1.00 0.00 C ATOM 737 C ASN A 48 16.919 -4.314 13.239 1.00 0.00 C ATOM 738 O ASN A 48 17.409 -3.489 12.469 1.00 0.00 O ATOM 739 CB ASN A 48 16.723 -3.829 15.686 1.00 0.00 C ATOM 740 CG ASN A 48 16.981 -5.211 16.254 1.00 0.00 C ATOM 741 OD1 ASN A 48 17.793 -5.971 15.724 1.00 0.00 O ATOM 742 ND2 ASN A 48 16.290 -5.544 17.338 1.00 0.00 N ATOM 0 H ASN A 48 14.785 -5.312 15.316 1.00 0.00 H new ATOM 0 HA ASN A 48 15.598 -2.881 14.118 1.00 0.00 H new ATOM 0 HB2 ASN A 48 17.673 -3.313 15.546 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.146 -3.246 16.404 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.422 -6.461 17.765 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.628 -4.883 17.744 1.00 0.00 H new ATOM 749 N GLN A 49 17.169 -5.617 13.160 1.00 0.00 N ATOM 750 CA GLN A 49 18.057 -6.163 12.140 1.00 0.00 C ATOM 751 C GLN A 49 17.600 -5.753 10.745 1.00 0.00 C ATOM 752 O GLN A 49 16.425 -5.458 10.526 1.00 0.00 O ATOM 753 CB GLN A 49 18.110 -7.689 12.245 1.00 0.00 C ATOM 754 CG GLN A 49 19.178 -8.321 11.367 1.00 0.00 C ATOM 755 CD GLN A 49 19.342 -9.806 11.627 1.00 0.00 C ATOM 756 OE1 GLN A 49 18.678 -10.634 11.004 1.00 0.00 O ATOM 757 NE2 GLN A 49 20.231 -10.150 12.552 1.00 0.00 N ATOM 0 H GLN A 49 16.770 -6.314 13.789 1.00 0.00 H new ATOM 0 HA GLN A 49 19.055 -5.759 12.308 1.00 0.00 H new ATOM 0 HB2 GLN A 49 18.293 -7.968 13.283 1.00 0.00 H new ATOM 0 HB3 GLN A 49 17.137 -8.098 11.972 1.00 0.00 H new ATOM 0 HG2 GLN A 49 18.921 -8.165 10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 49 20.130 -7.818 11.540 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.760 -9.430 13.044 1.00 0.00 H new ATOM 0 HE22 GLN A 49 20.385 -11.134 12.770 1.00 0.00 H new ATOM 766 N LYS A 50 18.536 -5.735 9.802 1.00 0.00 N ATOM 767 CA LYS A 50 18.231 -5.362 8.426 1.00 0.00 C ATOM 768 C LYS A 50 16.985 -6.088 7.929 1.00 0.00 C ATOM 769 O LYS A 50 16.825 -7.294 8.116 1.00 0.00 O ATOM 770 CB LYS A 50 19.418 -5.680 7.514 1.00 0.00 C ATOM 771 CG LYS A 50 19.467 -4.826 6.259 1.00 0.00 C ATOM 772 CD LYS A 50 18.555 -5.374 5.175 1.00 0.00 C ATOM 773 CE LYS A 50 18.708 -4.601 3.874 1.00 0.00 C ATOM 774 NZ LYS A 50 18.115 -3.238 3.966 1.00 0.00 N ATOM 0 H LYS A 50 19.514 -5.975 9.966 1.00 0.00 H new ATOM 0 HA LYS A 50 18.039 -4.289 8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 50 20.343 -5.541 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.374 -6.731 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.173 -3.805 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.491 -4.783 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.783 -6.426 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.519 -5.323 5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.765 -4.521 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.228 -5.152 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.601 -2.602 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.104 -3.282 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.225 -2.876 4.935 1.00 0.00 H new ATOM 788 N PRO A 51 16.082 -5.339 7.279 1.00 0.00 N ATOM 789 CA PRO A 51 14.836 -5.891 6.740 1.00 0.00 C ATOM 790 C PRO A 51 15.078 -6.810 5.547 1.00 0.00 C ATOM 791 O PRO A 51 15.900 -6.513 4.680 1.00 0.00 O ATOM 792 CB PRO A 51 14.055 -4.648 6.308 1.00 0.00 C ATOM 793 CG PRO A 51 15.097 -3.617 6.046 1.00 0.00 C ATOM 794 CD PRO A 51 16.208 -3.895 7.021 1.00 0.00 C ATOM 0 HA PRO A 51 14.313 -6.507 7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.460 -4.845 5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.365 -4.324 7.087 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.455 -3.677 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.697 -2.613 6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 51 17.183 -3.645 6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.096 -3.312 7.935 1.00 0.00 H new ATOM 802 N ARG A 52 14.356 -7.925 5.509 1.00 0.00 N ATOM 803 CA ARG A 52 14.493 -8.887 4.422 1.00 0.00 C ATOM 804 C ARG A 52 14.299 -8.209 3.068 1.00 0.00 C ATOM 805 O ARG A 52 15.094 -8.397 2.149 1.00 0.00 O ATOM 806 CB ARG A 52 13.481 -10.021 4.586 1.00 0.00 C ATOM 807 CG ARG A 52 13.988 -11.172 5.439 1.00 0.00 C ATOM 808 CD ARG A 52 14.769 -10.670 6.644 1.00 0.00 C ATOM 809 NE ARG A 52 16.184 -10.476 6.337 1.00 0.00 N ATOM 810 CZ ARG A 52 17.090 -10.122 7.241 1.00 0.00 C ATOM 811 NH1 ARG A 52 16.731 -9.923 8.502 1.00 0.00 N ATOM 812 NH2 ARG A 52 18.358 -9.965 6.885 1.00 0.00 N ATOM 0 H ARG A 52 13.670 -8.185 6.218 1.00 0.00 H new ATOM 0 HA ARG A 52 15.501 -9.300 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.571 -9.622 5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.212 -10.401 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.145 -11.776 5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.624 -11.821 4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.340 -9.729 6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 52 14.670 -11.383 7.463 1.00 0.00 H new ATOM 0 HE ARG A 52 16.493 -10.620 5.376 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.757 -10.042 8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.429 -9.651 9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.638 -10.116 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.053 -9.693 7.580 1.00 0.00 H new ATOM 826 N GLY A 53 13.235 -7.419 2.954 1.00 0.00 N ATOM 827 CA GLY A 53 12.955 -6.727 1.710 1.00 0.00 C ATOM 828 C GLY A 53 11.840 -5.709 1.851 1.00 0.00 C ATOM 829 O GLY A 53 10.895 -5.914 2.613 1.00 0.00 O ATOM 0 H GLY A 53 12.562 -7.246 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.859 -6.225 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.683 -7.455 0.946 1.00 0.00 H new ATOM 833 N THR A 54 11.951 -4.607 1.117 1.00 0.00 N ATOM 834 CA THR A 54 10.946 -3.552 1.165 1.00 0.00 C ATOM 835 C THR A 54 10.281 -3.364 -0.193 1.00 0.00 C ATOM 836 O THR A 54 10.946 -3.384 -1.230 1.00 0.00 O ATOM 837 CB THR A 54 11.559 -2.213 1.614 1.00 0.00 C ATOM 838 OG1 THR A 54 12.434 -1.709 0.599 1.00 0.00 O ATOM 839 CG2 THR A 54 12.327 -2.379 2.917 1.00 0.00 C ATOM 0 H THR A 54 12.727 -4.421 0.482 1.00 0.00 H new ATOM 0 HA THR A 54 10.197 -3.862 1.893 1.00 0.00 H new ATOM 0 HB THR A 54 10.747 -1.504 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.818 -0.856 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.751 -1.420 3.214 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.651 -2.734 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.130 -3.103 2.776 1.00 0.00 H new ATOM 847 N LEU A 55 8.965 -3.180 -0.182 1.00 0.00 N ATOM 848 CA LEU A 55 8.209 -2.987 -1.415 1.00 0.00 C ATOM 849 C LEU A 55 7.295 -1.770 -1.308 1.00 0.00 C ATOM 850 O LEU A 55 6.411 -1.720 -0.453 1.00 0.00 O ATOM 851 CB LEU A 55 7.382 -4.234 -1.730 1.00 0.00 C ATOM 852 CG LEU A 55 6.535 -4.174 -3.002 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.376 -4.524 -4.220 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.339 -5.109 -2.891 1.00 0.00 C ATOM 0 H LEU A 55 8.400 -3.160 0.667 1.00 0.00 H new ATOM 0 HA LEU A 55 8.919 -2.816 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.059 -5.084 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.721 -4.430 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 55 6.165 -3.156 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.757 -4.476 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.199 -3.815 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.776 -5.532 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.748 -5.053 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.689 -6.131 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.723 -4.813 -2.042 1.00 0.00 H new ATOM 866 N GLN A 56 7.514 -0.793 -2.182 1.00 0.00 N ATOM 867 CA GLN A 56 6.708 0.422 -2.186 1.00 0.00 C ATOM 868 C GLN A 56 5.249 0.107 -2.495 1.00 0.00 C ATOM 869 O GLN A 56 4.950 -0.762 -3.316 1.00 0.00 O ATOM 870 CB GLN A 56 7.255 1.418 -3.210 1.00 0.00 C ATOM 871 CG GLN A 56 8.329 2.338 -2.651 1.00 0.00 C ATOM 872 CD GLN A 56 9.244 2.888 -3.727 1.00 0.00 C ATOM 873 OE1 GLN A 56 9.527 2.218 -4.720 1.00 0.00 O ATOM 874 NE2 GLN A 56 9.713 4.116 -3.535 1.00 0.00 N ATOM 0 H GLN A 56 8.242 -0.819 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 56 6.761 0.866 -1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.665 0.867 -4.057 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.432 2.023 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.855 3.166 -2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.923 1.793 -1.918 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.453 4.636 -2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.333 4.539 -4.225 1.00 0.00 H new ATOM 883 N LEU A 57 4.342 0.817 -1.833 1.00 0.00 N ATOM 884 CA LEU A 57 2.912 0.613 -2.037 1.00 0.00 C ATOM 885 C LEU A 57 2.309 1.754 -2.850 1.00 0.00 C ATOM 886 O LEU A 57 1.417 1.541 -3.671 1.00 0.00 O ATOM 887 CB LEU A 57 2.196 0.498 -0.690 1.00 0.00 C ATOM 888 CG LEU A 57 2.380 -0.823 0.058 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.897 -0.696 1.494 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.645 -1.948 -0.657 1.00 0.00 C ATOM 0 H LEU A 57 4.571 1.539 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 57 2.779 -0.315 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.542 1.308 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.130 0.654 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 57 3.443 -1.063 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.036 -1.646 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.468 0.080 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.840 -0.431 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.787 -2.880 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.581 -1.714 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.039 -2.056 -1.667 1.00 0.00 H new ATOM 902 N ALA A 58 2.805 2.965 -2.618 1.00 0.00 N ATOM 903 CA ALA A 58 2.318 4.139 -3.332 1.00 0.00 C ATOM 904 C ALA A 58 2.145 3.845 -4.818 1.00 0.00 C ATOM 905 O ALA A 58 3.118 3.795 -5.569 1.00 0.00 O ATOM 906 CB ALA A 58 3.269 5.310 -3.131 1.00 0.00 C ATOM 0 H ALA A 58 3.543 3.159 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 58 1.342 4.403 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.894 6.180 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.339 5.543 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.256 5.046 -3.511 1.00 0.00 H new ATOM 912 N GLY A 59 0.898 3.650 -5.237 1.00 0.00 N ATOM 913 CA GLY A 59 0.620 3.362 -6.632 1.00 0.00 C ATOM 914 C GLY A 59 0.755 1.887 -6.957 1.00 0.00 C ATOM 915 O GLY A 59 1.249 1.524 -8.024 1.00 0.00 O ATOM 0 H GLY A 59 0.075 3.686 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.390 3.693 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.302 3.934 -7.261 1.00 0.00 H new ATOM 919 N ALA A 60 0.316 1.037 -6.035 1.00 0.00 N ATOM 920 CA ALA A 60 0.390 -0.406 -6.230 1.00 0.00 C ATOM 921 C ALA A 60 -0.967 -0.977 -6.626 1.00 0.00 C ATOM 922 O ALA A 60 -1.967 -0.259 -6.665 1.00 0.00 O ATOM 923 CB ALA A 60 0.902 -1.083 -4.968 1.00 0.00 C ATOM 0 H ALA A 60 -0.095 1.322 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 60 1.088 -0.603 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.952 -2.160 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.896 -0.705 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.225 -0.870 -4.141 1.00 0.00 H new ATOM 929 N VAL A 61 -0.996 -2.273 -6.920 1.00 0.00 N ATOM 930 CA VAL A 61 -2.232 -2.940 -7.312 1.00 0.00 C ATOM 931 C VAL A 61 -2.385 -4.278 -6.597 1.00 0.00 C ATOM 932 O VAL A 61 -1.442 -5.067 -6.525 1.00 0.00 O ATOM 933 CB VAL A 61 -2.283 -3.176 -8.834 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.335 -4.220 -9.177 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.557 -1.870 -9.565 1.00 0.00 C ATOM 0 H VAL A 61 -0.178 -2.882 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.052 -2.282 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.313 -3.552 -9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.357 -4.374 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.090 -5.160 -8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.313 -3.876 -8.840 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.590 -2.054 -10.639 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.514 -1.463 -9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.764 -1.156 -9.343 1.00 0.00 H new ATOM 945 N ILE A 62 -3.579 -4.527 -6.069 1.00 0.00 N ATOM 946 CA ILE A 62 -3.856 -5.770 -5.360 1.00 0.00 C ATOM 947 C ILE A 62 -4.812 -6.654 -6.154 1.00 0.00 C ATOM 948 O ILE A 62 -5.947 -6.265 -6.432 1.00 0.00 O ATOM 949 CB ILE A 62 -4.458 -5.502 -3.968 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.433 -4.807 -3.071 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.928 -6.803 -3.336 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.275 -3.331 -3.364 1.00 0.00 C ATOM 0 H ILE A 62 -4.370 -3.884 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.903 -6.285 -5.241 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.319 -4.844 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.729 -4.933 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.467 -5.298 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.351 -6.598 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.687 -7.262 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.083 -7.483 -3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.532 -2.904 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.948 -3.198 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.230 -2.827 -3.218 1.00 0.00 H new ATOM 964 N SER A 63 -4.347 -7.845 -6.515 1.00 0.00 N ATOM 965 CA SER A 63 -5.160 -8.785 -7.278 1.00 0.00 C ATOM 966 C SER A 63 -5.190 -10.152 -6.602 1.00 0.00 C ATOM 967 O SER A 63 -4.328 -11.002 -6.825 1.00 0.00 O ATOM 968 CB SER A 63 -4.619 -8.920 -8.703 1.00 0.00 C ATOM 969 OG SER A 63 -5.412 -9.810 -9.468 1.00 0.00 O ATOM 0 H SER A 63 -3.411 -8.182 -6.291 1.00 0.00 H new ATOM 0 HA SER A 63 -6.178 -8.397 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.600 -7.941 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.590 -9.279 -8.672 1.00 0.00 H new ATOM 0 HG SER A 63 -5.046 -9.877 -10.375 1.00 0.00 H new ATOM 975 N PRO A 64 -6.207 -10.370 -5.755 1.00 0.00 N ATOM 976 CA PRO A 64 -6.375 -11.632 -5.028 1.00 0.00 C ATOM 977 C PRO A 64 -6.766 -12.783 -5.949 1.00 0.00 C ATOM 978 O PRO A 64 -7.634 -12.634 -6.810 1.00 0.00 O ATOM 979 CB PRO A 64 -7.507 -11.326 -4.044 1.00 0.00 C ATOM 980 CG PRO A 64 -8.276 -10.222 -4.682 1.00 0.00 C ATOM 981 CD PRO A 64 -7.271 -9.401 -5.441 1.00 0.00 C ATOM 0 HA PRO A 64 -5.450 -11.953 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.135 -12.201 -3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.116 -11.026 -3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.042 -10.616 -5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.786 -9.618 -3.932 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.703 -8.972 -6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.895 -8.571 -4.842 1.00 0.00 H new ATOM 989 N SER A 65 -6.122 -13.930 -5.761 1.00 0.00 N ATOM 990 CA SER A 65 -6.401 -15.106 -6.578 1.00 0.00 C ATOM 991 C SER A 65 -7.599 -15.875 -6.030 1.00 0.00 C ATOM 992 O SER A 65 -8.236 -15.451 -5.066 1.00 0.00 O ATOM 993 CB SER A 65 -5.174 -16.019 -6.630 1.00 0.00 C ATOM 994 OG SER A 65 -5.207 -16.853 -7.775 1.00 0.00 O ATOM 0 H SER A 65 -5.404 -14.071 -5.051 1.00 0.00 H new ATOM 0 HA SER A 65 -6.638 -14.770 -7.588 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.267 -15.414 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.135 -16.633 -5.730 1.00 0.00 H new ATOM 0 HG SER A 65 -4.412 -17.425 -7.786 1.00 0.00 H new ATOM 1000 N ASP A 66 -7.900 -17.010 -6.653 1.00 0.00 N ATOM 1001 CA ASP A 66 -9.021 -17.841 -6.229 1.00 0.00 C ATOM 1002 C ASP A 66 -8.589 -19.295 -6.066 1.00 0.00 C ATOM 1003 O ASP A 66 -9.073 -20.000 -5.182 1.00 0.00 O ATOM 1004 CB ASP A 66 -10.165 -17.745 -7.239 1.00 0.00 C ATOM 1005 CG ASP A 66 -10.525 -16.311 -7.573 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -11.009 -15.595 -6.671 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -10.321 -15.904 -8.736 1.00 0.00 O ATOM 0 H ASP A 66 -7.383 -17.375 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.368 -17.474 -5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.883 -18.268 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.042 -18.253 -6.839 1.00 0.00 H new ATOM 1012 N GLU A 67 -7.676 -19.735 -6.927 1.00 0.00 N ATOM 1013 CA GLU A 67 -7.180 -21.106 -6.879 1.00 0.00 C ATOM 1014 C GLU A 67 -7.082 -21.599 -5.438 1.00 0.00 C ATOM 1015 O GLU A 67 -7.821 -22.493 -5.025 1.00 0.00 O ATOM 1016 CB GLU A 67 -5.812 -21.201 -7.557 1.00 0.00 C ATOM 1017 CG GLU A 67 -5.265 -22.617 -7.628 1.00 0.00 C ATOM 1018 CD GLU A 67 -4.087 -22.740 -8.575 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -4.298 -22.630 -9.801 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -2.955 -22.947 -8.090 1.00 0.00 O ATOM 0 H GLU A 67 -7.265 -19.163 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.887 -21.740 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.888 -20.799 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.104 -20.573 -7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.960 -22.935 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.057 -23.293 -7.950 1.00 0.00 H new ATOM 1027 N ASP A 68 -6.165 -21.010 -4.679 1.00 0.00 N ATOM 1028 CA ASP A 68 -5.969 -21.388 -3.284 1.00 0.00 C ATOM 1029 C ASP A 68 -6.770 -20.479 -2.357 1.00 0.00 C ATOM 1030 O ASP A 68 -6.645 -19.256 -2.411 1.00 0.00 O ATOM 1031 CB ASP A 68 -4.485 -21.327 -2.920 1.00 0.00 C ATOM 1032 CG ASP A 68 -3.772 -22.641 -3.176 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -4.395 -23.704 -2.971 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -2.592 -22.606 -3.581 1.00 0.00 O ATOM 0 H ASP A 68 -5.545 -20.269 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.324 -22.411 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.004 -20.537 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.382 -21.060 -1.868 1.00 0.00 H new ATOM 1039 N SER A 69 -7.594 -21.086 -1.509 1.00 0.00 N ATOM 1040 CA SER A 69 -8.420 -20.331 -0.573 1.00 0.00 C ATOM 1041 C SER A 69 -7.689 -19.083 -0.089 1.00 0.00 C ATOM 1042 O SER A 69 -8.211 -17.971 -0.176 1.00 0.00 O ATOM 1043 CB SER A 69 -8.805 -21.206 0.621 1.00 0.00 C ATOM 1044 OG SER A 69 -9.817 -20.591 1.399 1.00 0.00 O ATOM 0 H SER A 69 -7.708 -22.098 -1.451 1.00 0.00 H new ATOM 0 HA SER A 69 -9.326 -20.021 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.153 -22.176 0.267 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.927 -21.389 1.240 1.00 0.00 H new ATOM 0 HG SER A 69 -10.046 -21.171 2.155 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.477 -19.275 0.423 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.673 -18.165 0.921 1.00 0.00 C ATOM 1052 C HIS A 70 -4.566 -17.810 -0.067 1.00 0.00 C ATOM 1053 O HIS A 70 -3.567 -18.521 -0.179 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.066 -18.518 2.280 1.00 0.00 C ATOM 1055 CG HIS A 70 -5.916 -19.445 3.093 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -7.286 -19.321 3.188 1.00 0.00 N ATOM 1057 CD2 HIS A 70 -5.583 -20.515 3.851 1.00 0.00 C ATOM 1058 CE1 HIS A 70 -7.759 -20.275 3.970 1.00 0.00 C ATOM 1059 NE2 HIS A 70 -6.746 -21.014 4.385 1.00 0.00 N ATOM 0 H HIS A 70 -6.031 -20.189 0.504 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.325 -17.299 1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.089 -18.976 2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.901 -17.600 2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.588 -20.904 4.007 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.797 -20.425 4.226 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.816 -21.823 5.002 1.00 0.00 H new ATOM 1068 N THR A 71 -4.751 -16.704 -0.782 1.00 0.00 N ATOM 1069 CA THR A 71 -3.770 -16.255 -1.762 1.00 0.00 C ATOM 1070 C THR A 71 -4.036 -14.816 -2.187 1.00 0.00 C ATOM 1071 O THR A 71 -5.182 -14.365 -2.205 1.00 0.00 O ATOM 1072 CB THR A 71 -3.770 -17.156 -3.011 1.00 0.00 C ATOM 1073 OG1 THR A 71 -3.625 -18.528 -2.626 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.645 -16.768 -3.959 1.00 0.00 C ATOM 0 H THR A 71 -5.571 -16.103 -0.700 1.00 0.00 H new ATOM 0 HA THR A 71 -2.794 -16.314 -1.281 1.00 0.00 H new ATOM 0 HB THR A 71 -4.721 -17.023 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.040 -18.588 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.665 -17.418 -4.833 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.775 -15.733 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.687 -16.875 -3.450 1.00 0.00 H new ATOM 1082 N PHE A 72 -2.972 -14.098 -2.530 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.092 -12.708 -2.956 1.00 0.00 C ATOM 1084 C PHE A 72 -1.742 -12.160 -3.408 1.00 0.00 C ATOM 1085 O PHE A 72 -0.692 -12.584 -2.923 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.648 -11.850 -1.818 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.679 -11.651 -0.688 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -1.662 -10.715 -0.788 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -2.784 -12.399 0.473 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -0.768 -10.529 0.250 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -1.894 -12.216 1.514 1.00 0.00 C ATOM 1092 CZ PHE A 72 -0.884 -11.281 1.402 1.00 0.00 C ATOM 0 H PHE A 72 -2.017 -14.455 -2.521 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.781 -12.671 -3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.936 -10.876 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.554 -12.317 -1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.567 -10.124 -1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.570 -13.134 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.020 -9.796 0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.988 -12.804 2.415 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.186 -11.138 2.214 1.00 0.00 H new ATOM 1102 N THR A 73 -1.776 -11.214 -4.341 1.00 0.00 N ATOM 1103 CA THR A 73 -0.557 -10.607 -4.861 1.00 0.00 C ATOM 1104 C THR A 73 -0.550 -9.101 -4.629 1.00 0.00 C ATOM 1105 O THR A 73 -1.599 -8.457 -4.633 1.00 0.00 O ATOM 1106 CB THR A 73 -0.390 -10.884 -6.367 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.599 -10.560 -7.062 1.00 0.00 O ATOM 1108 CG2 THR A 73 -0.034 -12.343 -6.612 1.00 0.00 C ATOM 0 H THR A 73 -2.636 -10.851 -4.753 1.00 0.00 H new ATOM 0 HA THR A 73 0.276 -11.058 -4.321 1.00 0.00 H new ATOM 0 HB THR A 73 0.422 -10.260 -6.741 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.344 -11.065 -6.675 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.079 -12.515 -7.682 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.902 -12.579 -6.106 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.828 -12.981 -6.224 1.00 0.00 H new ATOM 1116 N VAL A 74 0.640 -8.543 -4.428 1.00 0.00 N ATOM 1117 CA VAL A 74 0.783 -7.111 -4.196 1.00 0.00 C ATOM 1118 C VAL A 74 1.720 -6.480 -5.220 1.00 0.00 C ATOM 1119 O VAL A 74 2.931 -6.420 -5.015 1.00 0.00 O ATOM 1120 CB VAL A 74 1.319 -6.822 -2.781 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.492 -5.326 -2.570 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.391 -7.413 -1.730 1.00 0.00 C ATOM 0 H VAL A 74 1.519 -9.061 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.210 -6.673 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 74 2.296 -7.294 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.871 -5.142 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.199 -4.935 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.530 -4.828 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.784 -7.200 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.600 -6.971 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.323 -8.492 -1.870 1.00 0.00 H new ATOM 1132 N ASN A 75 1.149 -6.009 -6.324 1.00 0.00 N ATOM 1133 CA ASN A 75 1.933 -5.381 -7.382 1.00 0.00 C ATOM 1134 C ASN A 75 2.603 -4.106 -6.879 1.00 0.00 C ATOM 1135 O ASN A 75 2.418 -3.708 -5.729 1.00 0.00 O ATOM 1136 CB ASN A 75 1.042 -5.062 -8.584 1.00 0.00 C ATOM 1137 CG ASN A 75 0.946 -6.222 -9.556 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.875 -6.486 -10.319 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.183 -6.922 -9.533 1.00 0.00 N ATOM 0 H ASN A 75 0.147 -6.050 -6.509 1.00 0.00 H new ATOM 0 HA ASN A 75 2.710 -6.081 -7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.043 -4.801 -8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.436 -4.188 -9.103 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.305 -7.714 -10.165 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.928 -6.668 -8.884 1.00 0.00 H new ATOM 1146 N ALA A 76 3.381 -3.471 -7.748 1.00 0.00 N ATOM 1147 CA ALA A 76 4.077 -2.240 -7.394 1.00 0.00 C ATOM 1148 C ALA A 76 4.159 -1.292 -8.586 1.00 0.00 C ATOM 1149 O ALA A 76 4.401 -1.719 -9.714 1.00 0.00 O ATOM 1150 CB ALA A 76 5.470 -2.553 -6.870 1.00 0.00 C ATOM 0 H ALA A 76 3.546 -3.789 -8.703 1.00 0.00 H new ATOM 0 HA ALA A 76 3.508 -1.744 -6.608 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.978 -1.624 -6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.392 -3.185 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.039 -3.075 -7.639 1.00 0.00 H new ATOM 1156 N ALA A 77 3.954 -0.005 -8.328 1.00 0.00 N ATOM 1157 CA ALA A 77 4.006 1.003 -9.380 1.00 0.00 C ATOM 1158 C ALA A 77 5.165 0.739 -10.336 1.00 0.00 C ATOM 1159 O ALA A 77 4.985 0.719 -11.553 1.00 0.00 O ATOM 1160 CB ALA A 77 4.125 2.393 -8.773 1.00 0.00 C ATOM 0 H ALA A 77 3.750 0.365 -7.399 1.00 0.00 H new ATOM 0 HA ALA A 77 3.079 0.946 -9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.163 3.136 -9.570 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.262 2.587 -8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.036 2.453 -8.177 1.00 0.00 H new ATOM 1166 N SER A 78 6.353 0.539 -9.776 1.00 0.00 N ATOM 1167 CA SER A 78 7.543 0.281 -10.579 1.00 0.00 C ATOM 1168 C SER A 78 7.308 -0.881 -11.540 1.00 0.00 C ATOM 1169 O SER A 78 7.494 -0.749 -12.749 1.00 0.00 O ATOM 1170 CB SER A 78 8.739 -0.023 -9.675 1.00 0.00 C ATOM 1171 OG SER A 78 9.282 1.167 -9.131 1.00 0.00 O ATOM 0 H SER A 78 6.518 0.551 -8.769 1.00 0.00 H new ATOM 0 HA SER A 78 7.758 1.176 -11.164 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.429 -0.687 -8.868 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.505 -0.549 -10.245 1.00 0.00 H new ATOM 0 HG SER A 78 10.044 0.946 -8.556 1.00 0.00 H new ATOM 1177 N GLY A 79 6.898 -2.021 -10.991 1.00 0.00 N ATOM 1178 CA GLY A 79 6.645 -3.190 -11.812 1.00 0.00 C ATOM 1179 C GLY A 79 7.085 -4.476 -11.141 1.00 0.00 C ATOM 1180 O GLY A 79 7.850 -5.251 -11.713 1.00 0.00 O ATOM 0 H GLY A 79 6.737 -2.155 -9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.580 -3.248 -12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.167 -3.083 -12.763 1.00 0.00 H new ATOM 1184 N GLU A 80 6.602 -4.702 -9.923 1.00 0.00 N ATOM 1185 CA GLU A 80 6.953 -5.902 -9.173 1.00 0.00 C ATOM 1186 C GLU A 80 5.742 -6.448 -8.421 1.00 0.00 C ATOM 1187 O GLU A 80 4.913 -5.686 -7.925 1.00 0.00 O ATOM 1188 CB GLU A 80 8.086 -5.602 -8.189 1.00 0.00 C ATOM 1189 CG GLU A 80 8.480 -6.794 -7.333 1.00 0.00 C ATOM 1190 CD GLU A 80 9.562 -7.641 -7.975 1.00 0.00 C ATOM 1191 OE1 GLU A 80 10.524 -7.062 -8.521 1.00 0.00 O ATOM 1192 OE2 GLU A 80 9.445 -8.884 -7.932 1.00 0.00 O ATOM 0 H GLU A 80 5.967 -4.070 -9.435 1.00 0.00 H new ATOM 0 HA GLU A 80 7.289 -6.658 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.959 -5.261 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.783 -4.782 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.828 -6.440 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.601 -7.412 -7.150 1.00 0.00 H new ATOM 1199 N GLN A 81 5.649 -7.771 -8.342 1.00 0.00 N ATOM 1200 CA GLN A 81 4.540 -8.418 -7.652 1.00 0.00 C ATOM 1201 C GLN A 81 5.047 -9.313 -6.527 1.00 0.00 C ATOM 1202 O GLN A 81 6.118 -9.910 -6.629 1.00 0.00 O ATOM 1203 CB GLN A 81 3.708 -9.241 -8.639 1.00 0.00 C ATOM 1204 CG GLN A 81 2.474 -9.873 -8.015 1.00 0.00 C ATOM 1205 CD GLN A 81 2.030 -11.126 -8.743 1.00 0.00 C ATOM 1206 OE1 GLN A 81 1.048 -11.111 -9.486 1.00 0.00 O ATOM 1207 NE2 GLN A 81 2.751 -12.221 -8.532 1.00 0.00 N ATOM 0 H GLN A 81 6.328 -8.416 -8.747 1.00 0.00 H new ATOM 0 HA GLN A 81 3.912 -7.640 -7.218 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.400 -8.600 -9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.334 -10.027 -9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.683 -10.117 -6.973 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.659 -9.149 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.557 -12.188 -7.908 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.499 -13.095 -8.994 1.00 0.00 H new ATOM 1216 N TYR A 82 4.270 -9.402 -5.453 1.00 0.00 N ATOM 1217 CA TYR A 82 4.642 -10.222 -4.306 1.00 0.00 C ATOM 1218 C TYR A 82 3.658 -11.373 -4.118 1.00 0.00 C ATOM 1219 O TYR A 82 2.452 -11.162 -3.994 1.00 0.00 O ATOM 1220 CB TYR A 82 4.694 -9.369 -3.037 1.00 0.00 C ATOM 1221 CG TYR A 82 6.030 -8.696 -2.815 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.720 -8.112 -3.870 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.602 -8.645 -1.550 1.00 0.00 C ATOM 1224 CE1 TYR A 82 7.941 -7.497 -3.672 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.821 -8.030 -1.342 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.487 -7.458 -2.406 1.00 0.00 C ATOM 1227 OH TYR A 82 9.703 -6.846 -2.203 1.00 0.00 O ATOM 0 H TYR A 82 3.379 -8.916 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 82 5.631 -10.639 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.917 -8.607 -3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.466 -9.998 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.294 -8.139 -4.862 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.085 -9.094 -0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.465 -7.049 -4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.251 -7.997 -0.352 1.00 0.00 H new ATOM 0 HH TYR A 82 9.945 -6.905 -1.255 1.00 0.00 H new ATOM 1237 N LYS A 83 4.184 -12.594 -4.096 1.00 0.00 N ATOM 1238 CA LYS A 83 3.355 -13.781 -3.921 1.00 0.00 C ATOM 1239 C LYS A 83 3.326 -14.213 -2.459 1.00 0.00 C ATOM 1240 O LYS A 83 4.156 -15.010 -2.019 1.00 0.00 O ATOM 1241 CB LYS A 83 3.878 -14.925 -4.792 1.00 0.00 C ATOM 1242 CG LYS A 83 2.810 -15.936 -5.173 1.00 0.00 C ATOM 1243 CD LYS A 83 3.154 -16.649 -6.470 1.00 0.00 C ATOM 1244 CE LYS A 83 1.903 -17.089 -7.213 1.00 0.00 C ATOM 1245 NZ LYS A 83 1.455 -18.445 -6.790 1.00 0.00 N ATOM 0 H LYS A 83 5.180 -12.787 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 83 2.339 -13.533 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.313 -14.509 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.679 -15.438 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.699 -16.668 -4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.850 -15.430 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.742 -15.987 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.775 -17.518 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.103 -16.370 -7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.099 -17.089 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.600 -18.709 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.208 -19.135 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.244 -18.439 -5.772 1.00 0.00 H new ATOM 1259 N LEU A 84 2.364 -13.684 -1.710 1.00 0.00 N ATOM 1260 CA LEU A 84 2.226 -14.016 -0.296 1.00 0.00 C ATOM 1261 C LEU A 84 0.906 -14.735 -0.033 1.00 0.00 C ATOM 1262 O LEU A 84 0.061 -14.846 -0.920 1.00 0.00 O ATOM 1263 CB LEU A 84 2.308 -12.749 0.557 1.00 0.00 C ATOM 1264 CG LEU A 84 3.417 -11.762 0.187 1.00 0.00 C ATOM 1265 CD1 LEU A 84 3.225 -10.444 0.921 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.783 -12.354 0.499 1.00 0.00 C ATOM 0 H LEU A 84 1.669 -13.024 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 84 3.044 -14.683 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.351 -12.230 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.443 -13.044 1.598 1.00 0.00 H new ATOM 0 HG LEU A 84 3.363 -11.569 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.023 -9.754 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.262 -10.012 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.252 -10.619 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.560 -11.638 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.848 -12.577 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.921 -13.272 -0.073 1.00 0.00 H new ATOM 1278 N ARG A 85 0.737 -15.219 1.193 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.480 -15.926 1.574 1.00 0.00 C ATOM 1280 C ARG A 85 -0.928 -15.522 2.975 1.00 0.00 C ATOM 1281 O ARG A 85 -0.106 -15.353 3.876 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.256 -17.438 1.515 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.354 -18.243 2.190 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.901 -19.663 2.489 1.00 0.00 C ATOM 1285 NE ARG A 85 -2.018 -20.603 2.506 1.00 0.00 N ATOM 1286 CZ ARG A 85 -2.618 -21.051 1.408 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -2.209 -20.647 0.213 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -3.629 -21.906 1.505 1.00 0.00 N ATOM 0 H ARG A 85 1.427 -15.135 1.939 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.264 -15.654 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.181 -17.745 0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.698 -17.674 1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.649 -17.752 3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.235 -18.269 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.175 -19.977 1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.394 -19.686 3.453 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.356 -20.934 3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.432 -19.991 0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.671 -20.993 -0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.946 -22.219 2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.089 -22.249 0.662 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.236 -15.367 3.152 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.793 -14.985 4.443 1.00 0.00 C ATOM 1304 C ALA A 86 -2.926 -16.193 5.363 1.00 0.00 C ATOM 1305 O ALA A 86 -3.122 -17.319 4.904 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.144 -14.310 4.256 1.00 0.00 C ATOM 0 H ALA A 86 -2.930 -15.500 2.416 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.108 -14.279 4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.549 -14.030 5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.023 -13.417 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.830 -14.999 3.763 1.00 0.00 H new ATOM 1312 N THR A 87 -2.818 -15.954 6.667 1.00 0.00 N ATOM 1313 CA THR A 87 -2.925 -17.022 7.652 1.00 0.00 C ATOM 1314 C THR A 87 -4.166 -17.873 7.408 1.00 0.00 C ATOM 1315 O THR A 87 -4.203 -19.051 7.764 1.00 0.00 O ATOM 1316 CB THR A 87 -2.973 -16.462 9.086 1.00 0.00 C ATOM 1317 OG1 THR A 87 -2.828 -17.526 10.033 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.282 -15.729 9.336 1.00 0.00 C ATOM 0 H THR A 87 -2.656 -15.029 7.065 1.00 0.00 H new ATOM 0 HA THR A 87 -2.036 -17.643 7.543 1.00 0.00 H new ATOM 0 HB THR A 87 -2.151 -15.756 9.205 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.858 -17.161 10.942 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.294 -15.342 10.355 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.376 -14.902 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.116 -16.417 9.200 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.181 -17.269 6.799 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.424 -17.972 6.506 1.00 0.00 C ATOM 1328 C ASP A 88 -7.215 -17.249 5.421 1.00 0.00 C ATOM 1329 O ASP A 88 -6.798 -16.200 4.931 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.272 -18.101 7.772 1.00 0.00 C ATOM 1331 CG ASP A 88 -6.884 -19.304 8.609 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -6.833 -20.422 8.055 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -6.631 -19.127 9.819 1.00 0.00 O ATOM 0 H ASP A 88 -5.167 -16.294 6.499 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.172 -18.968 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.166 -17.196 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.323 -18.179 7.495 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.357 -17.818 5.049 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.206 -17.227 4.022 1.00 0.00 C ATOM 1340 C ALA A 89 -9.917 -15.984 4.546 1.00 0.00 C ATOM 1341 O ALA A 89 -10.220 -15.062 3.788 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.220 -18.246 3.524 1.00 0.00 C ATOM 0 H ALA A 89 -8.715 -18.688 5.444 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.570 -16.927 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.847 -17.791 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.697 -19.104 3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.844 -18.575 4.355 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.182 -15.964 5.848 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.857 -14.834 6.475 1.00 0.00 C ATOM 1350 C LYS A 90 -9.899 -13.661 6.657 1.00 0.00 C ATOM 1351 O LYS A 90 -10.303 -12.501 6.578 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.437 -15.247 7.830 1.00 0.00 C ATOM 1353 CG LYS A 90 -12.430 -16.393 7.742 1.00 0.00 C ATOM 1354 CD LYS A 90 -13.844 -15.888 7.506 1.00 0.00 C ATOM 1355 CE LYS A 90 -14.713 -16.949 6.848 1.00 0.00 C ATOM 1356 NZ LYS A 90 -15.018 -18.072 7.778 1.00 0.00 N ATOM 0 H LYS A 90 -9.939 -16.719 6.490 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.669 -14.519 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.621 -15.534 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.928 -14.386 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.142 -17.064 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.399 -16.974 8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.288 -15.590 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.813 -14.999 6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.644 -16.496 6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.206 -17.337 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.612 -18.774 7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.131 -18.521 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.524 -17.706 8.610 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.630 -13.971 6.900 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.615 -12.941 7.092 1.00 0.00 C ATOM 1372 C GLU A 91 -7.214 -12.318 5.758 1.00 0.00 C ATOM 1373 O GLU A 91 -6.719 -11.191 5.712 1.00 0.00 O ATOM 1374 CB GLU A 91 -6.384 -13.530 7.784 1.00 0.00 C ATOM 1375 CG GLU A 91 -5.360 -12.485 8.196 1.00 0.00 C ATOM 1376 CD GLU A 91 -5.726 -11.789 9.493 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -6.916 -11.822 9.869 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -4.821 -11.212 10.131 1.00 0.00 O ATOM 0 H GLU A 91 -8.280 -14.927 6.969 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.039 -12.161 7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.704 -14.082 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.910 -14.248 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.385 -12.960 8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.265 -11.742 7.404 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.429 -13.059 4.676 1.00 0.00 N ATOM 1386 CA ARG A 92 -7.088 -12.580 3.342 1.00 0.00 C ATOM 1387 C ARG A 92 -7.787 -11.257 3.044 1.00 0.00 C ATOM 1388 O ARG A 92 -7.140 -10.266 2.704 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.475 -13.621 2.290 1.00 0.00 C ATOM 1390 CG ARG A 92 -7.207 -13.173 0.862 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.554 -14.263 -0.139 1.00 0.00 C ATOM 1392 NE ARG A 92 -8.989 -14.528 -0.184 1.00 0.00 N ATOM 1393 CZ ARG A 92 -9.554 -15.371 -1.042 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -8.809 -16.027 -1.921 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -10.868 -15.559 -1.021 1.00 0.00 N ATOM 0 H ARG A 92 -7.838 -13.993 4.697 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.011 -12.418 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.924 -14.542 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.534 -13.855 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.791 -12.279 0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.157 -12.901 0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.209 -13.968 -1.130 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.024 -15.179 0.124 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.591 -14.040 0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.799 -15.885 -1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.246 -16.673 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.444 -15.056 -0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.301 -16.206 -1.680 1.00 0.00 H new ATOM 1409 N GLN A 93 -9.109 -11.249 3.175 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.894 -10.047 2.918 1.00 0.00 C ATOM 1411 C GLN A 93 -9.289 -8.840 3.627 1.00 0.00 C ATOM 1412 O GLN A 93 -9.208 -7.750 3.060 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.340 -10.250 3.375 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.539 -10.057 4.870 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.960 -10.345 5.311 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.883 -10.371 4.496 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.145 -10.562 6.608 1.00 0.00 N ATOM 0 H GLN A 93 -9.659 -12.060 3.457 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.882 -9.858 1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.983 -9.552 2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.661 -11.255 3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.855 -10.711 5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.280 -9.033 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.352 -10.531 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.080 -10.760 6.964 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.866 -9.041 4.871 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.268 -7.969 5.659 1.00 0.00 C ATOM 1428 C HIS A 94 -7.057 -7.380 4.942 1.00 0.00 C ATOM 1429 O HIS A 94 -7.120 -6.276 4.400 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.858 -8.487 7.037 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.296 -7.426 7.933 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -6.019 -7.156 8.291 1.00 0.00 N flip ATOM 1433 CD2 HIS A 94 -8.079 -6.493 8.578 1.00 0.00 C flip ATOM 1434 CE1 HIS A 94 -6.054 -6.074 9.136 1.00 0.00 C flip ATOM 1435 NE2 HIS A 94 -7.309 -5.693 9.292 1.00 0.00 N flip ATOM 0 H HIS A 94 -8.926 -9.937 5.355 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.013 -7.183 5.783 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.726 -8.937 7.520 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.117 -9.277 6.913 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -5.186 -7.662 7.989 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.155 -6.427 8.510 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.195 -5.610 9.598 1.00 0.00 H new ATOM 1444 N TRP A 95 -5.956 -8.122 4.945 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.729 -7.673 4.296 1.00 0.00 C ATOM 1446 C TRP A 95 -5.032 -7.025 2.949 1.00 0.00 C ATOM 1447 O TRP A 95 -4.571 -5.920 2.664 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.768 -8.848 4.106 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.845 -9.054 5.268 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.845 -10.108 6.137 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.789 -8.184 5.689 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.852 -9.945 7.073 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.190 -8.773 6.820 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.291 -6.965 5.220 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.119 -8.183 7.486 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.228 -6.381 5.883 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.349 -6.990 7.005 1.00 0.00 C ATOM 0 H TRP A 95 -5.887 -9.037 5.390 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.259 -6.929 4.939 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.346 -9.758 3.944 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.176 -8.682 3.206 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.525 -10.946 6.095 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.642 -10.592 7.833 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.729 -6.488 4.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.327 -8.650 8.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.165 -5.439 5.530 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.179 -6.509 7.500 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.810 -7.719 2.125 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.175 -7.210 0.808 1.00 0.00 C ATOM 1470 C VAL A 96 -6.800 -5.823 0.910 1.00 0.00 C ATOM 1471 O VAL A 96 -6.411 -4.901 0.193 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.161 -8.154 0.095 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.576 -7.576 -1.250 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.547 -9.535 -0.075 1.00 0.00 C ATOM 0 H VAL A 96 -6.200 -8.635 2.346 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.256 -7.150 0.225 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.054 -8.252 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.273 -8.257 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.058 -6.611 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.694 -7.446 -1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.257 -10.189 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.637 -9.458 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.306 -9.949 0.904 1.00 0.00 H new ATOM 1484 N SER A 97 -7.772 -5.681 1.806 1.00 0.00 N ATOM 1485 CA SER A 97 -8.454 -4.407 1.999 1.00 0.00 C ATOM 1486 C SER A 97 -7.478 -3.336 2.476 1.00 0.00 C ATOM 1487 O SER A 97 -7.268 -2.327 1.802 1.00 0.00 O ATOM 1488 CB SER A 97 -9.592 -4.562 3.009 1.00 0.00 C ATOM 1489 OG SER A 97 -10.633 -3.636 2.750 1.00 0.00 O ATOM 0 H SER A 97 -8.105 -6.433 2.410 1.00 0.00 H new ATOM 0 HA SER A 97 -8.869 -4.095 1.040 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.985 -5.578 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.210 -4.411 4.019 1.00 0.00 H new ATOM 0 HG SER A 97 -11.349 -3.756 3.408 1.00 0.00 H new ATOM 1495 N ARG A 98 -6.885 -3.562 3.644 1.00 0.00 N ATOM 1496 CA ARG A 98 -5.932 -2.617 4.213 1.00 0.00 C ATOM 1497 C ARG A 98 -4.905 -2.186 3.170 1.00 0.00 C ATOM 1498 O ARG A 98 -4.598 -1.000 3.039 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.223 -3.238 5.418 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.163 -3.615 6.551 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.679 -2.384 7.279 1.00 0.00 C ATOM 1502 NE ARG A 98 -7.834 -2.690 8.119 1.00 0.00 N ATOM 1503 CZ ARG A 98 -8.675 -1.769 8.576 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -8.492 -0.491 8.274 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -9.704 -2.125 9.335 1.00 0.00 N ATOM 0 H ARG A 98 -7.048 -4.392 4.215 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.483 -1.735 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.685 -4.128 5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.479 -2.535 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.004 -4.183 6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.644 -4.265 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.883 -1.967 7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.952 -1.620 6.551 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.004 -3.664 8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.704 -0.213 7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.139 0.214 8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.850 -3.107 9.568 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.349 -1.416 9.685 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.377 -3.155 2.432 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.383 -2.877 1.401 1.00 0.00 C ATOM 1521 C LEU A 99 -3.997 -2.079 0.255 1.00 0.00 C ATOM 1522 O LEU A 99 -3.365 -1.177 -0.294 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.792 -4.183 0.869 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.962 -4.998 1.861 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.876 -6.451 1.420 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.570 -4.400 2.009 1.00 0.00 C ATOM 0 H LEU A 99 -4.620 -4.141 2.528 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.587 -2.282 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.609 -4.808 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.166 -3.951 0.007 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.456 -4.964 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.281 -7.015 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.879 -6.875 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.406 -6.506 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.007 -4.993 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.068 -4.403 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.651 -3.376 2.373 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.233 -2.416 -0.099 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.932 -1.730 -1.179 1.00 0.00 C ATOM 1540 C GLN A 100 -6.277 -0.299 -0.781 1.00 0.00 C ATOM 1541 O GLN A 100 -6.413 0.578 -1.635 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.207 -2.489 -1.553 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.996 -3.538 -2.632 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.250 -3.802 -3.443 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -9.039 -2.893 -3.700 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -8.439 -5.051 -3.850 1.00 0.00 N ATOM 0 H GLN A 100 -5.771 -3.160 0.346 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.270 -1.698 -2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.607 -2.972 -0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.958 -1.776 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.198 -3.212 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.665 -4.468 -2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.758 -5.773 -3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.265 -5.289 -4.399 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.417 -0.069 0.521 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.745 1.256 1.031 1.00 0.00 C ATOM 1557 C ILE A 101 -5.505 2.140 1.103 1.00 0.00 C ATOM 1558 O ILE A 101 -5.531 3.299 0.687 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.388 1.178 2.428 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.715 0.419 2.362 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.599 2.575 2.993 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.158 -0.140 3.696 1.00 0.00 C ATOM 0 H ILE A 101 -6.308 -0.783 1.241 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.460 1.694 0.335 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.714 0.636 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.488 1.087 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.621 -0.399 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.054 2.503 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.639 3.084 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.256 3.140 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.105 -0.665 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.404 -0.834 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.284 0.675 4.408 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.420 1.585 1.631 1.00 0.00 N ATOM 1575 CA CYS A 102 -3.167 2.323 1.756 1.00 0.00 C ATOM 1576 C CYS A 102 -2.592 2.655 0.383 1.00 0.00 C ATOM 1577 O CYS A 102 -2.258 3.805 0.100 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.153 1.513 2.566 1.00 0.00 C ATOM 1579 SG CYS A 102 -0.696 2.454 3.076 1.00 0.00 S ATOM 0 H CYS A 102 -4.382 0.627 1.979 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.374 3.257 2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.646 1.118 3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.830 0.657 1.973 1.00 0.00 H new ATOM 0 HG CYS A 102 0.101 1.685 3.756 1.00 0.00 H new ATOM 1585 N THR A 103 -2.478 1.638 -0.466 1.00 0.00 N ATOM 1586 CA THR A 103 -1.940 1.821 -1.808 1.00 0.00 C ATOM 1587 C THR A 103 -2.543 3.050 -2.479 1.00 0.00 C ATOM 1588 O THR A 103 -1.833 3.837 -3.105 1.00 0.00 O ATOM 1589 CB THR A 103 -2.203 0.587 -2.691 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.406 0.656 -3.879 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.674 0.493 -3.066 1.00 0.00 C ATOM 0 H THR A 103 -2.751 0.680 -0.248 1.00 0.00 H new ATOM 0 HA THR A 103 -0.864 1.960 -1.701 1.00 0.00 H new ATOM 0 HB THR A 103 -1.932 -0.303 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.952 0.407 -4.654 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.835 -0.386 -3.690 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.276 0.411 -2.161 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.967 1.387 -3.617 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.856 3.208 -2.345 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.553 4.342 -2.940 1.00 0.00 C ATOM 1601 C GLN A 104 -4.405 5.587 -2.072 1.00 0.00 C ATOM 1602 O GLN A 104 -3.899 6.615 -2.524 1.00 0.00 O ATOM 1603 CB GLN A 104 -6.034 4.013 -3.132 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.725 4.894 -4.161 1.00 0.00 C ATOM 1605 CD GLN A 104 -8.216 4.633 -4.246 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -8.653 3.661 -4.862 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -9.005 5.502 -3.626 1.00 0.00 N ATOM 0 H GLN A 104 -4.458 2.565 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.104 4.543 -3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.130 2.971 -3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.547 4.115 -2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.557 5.941 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.274 4.726 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.599 6.294 -3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -10.017 5.378 -3.648 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.850 5.489 -0.823 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.767 6.608 0.109 1.00 0.00 C ATOM 1618 C HIS A 105 -3.431 7.332 -0.030 1.00 0.00 C ATOM 1619 O HIS A 105 -3.317 8.514 0.297 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.948 6.117 1.545 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.420 7.182 2.487 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.626 7.834 2.342 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -4.840 7.707 3.592 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.768 8.715 3.317 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -5.698 8.658 4.089 1.00 0.00 N ATOM 0 H HIS A 105 -5.272 4.646 -0.433 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.567 7.309 -0.130 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.663 5.295 1.552 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.000 5.718 1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.882 7.430 4.006 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.615 9.370 3.458 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.535 9.228 4.919 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.423 6.616 -0.516 1.00 0.00 N ATOM 1635 CA HIS A 106 -1.094 7.190 -0.697 1.00 0.00 C ATOM 1636 C HIS A 106 -0.926 7.733 -2.113 1.00 0.00 C ATOM 1637 O HIS A 106 -0.664 8.921 -2.307 1.00 0.00 O ATOM 1638 CB HIS A 106 -0.019 6.142 -0.409 1.00 0.00 C ATOM 1639 CG HIS A 106 0.329 6.024 1.043 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.624 5.894 1.498 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.458 6.018 2.144 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.618 5.812 2.817 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.367 5.885 3.233 1.00 0.00 N ATOM 0 H HIS A 106 -2.501 5.637 -0.792 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.983 8.016 0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.362 5.173 -0.772 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.881 6.393 -0.971 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.535 6.102 2.162 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.488 5.704 3.447 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.063 5.848 4.206 1.00 0.00 H new ATOM 1652 N THR A 107 -1.077 6.856 -3.100 1.00 0.00 N ATOM 1653 CA THR A 107 -0.940 7.247 -4.498 1.00 0.00 C ATOM 1654 C THR A 107 -1.773 8.485 -4.806 1.00 0.00 C ATOM 1655 O THR A 107 -1.416 9.284 -5.672 1.00 0.00 O ATOM 1656 CB THR A 107 -1.365 6.107 -5.444 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.708 6.250 -6.708 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.873 6.107 -5.648 1.00 0.00 C ATOM 0 H THR A 107 -1.294 5.870 -2.957 1.00 0.00 H new ATOM 0 HA THR A 107 0.114 7.472 -4.662 1.00 0.00 H new ATOM 0 HB THR A 107 -1.076 5.160 -4.989 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.641 7.201 -6.936 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.149 5.294 -6.319 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.370 5.970 -4.688 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.181 7.058 -6.083 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.885 8.639 -4.093 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.768 9.782 -4.292 1.00 0.00 C ATOM 1668 C GLU A 108 -3.060 11.085 -3.935 1.00 0.00 C ATOM 1669 O GLU A 108 -3.125 12.063 -4.679 1.00 0.00 O ATOM 1670 CB GLU A 108 -5.035 9.629 -3.448 1.00 0.00 C ATOM 1671 CG GLU A 108 -6.126 8.821 -4.129 1.00 0.00 C ATOM 1672 CD GLU A 108 -6.864 9.615 -5.190 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -7.141 10.809 -4.953 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -7.164 9.041 -6.258 1.00 0.00 O ATOM 0 H GLU A 108 -3.195 7.987 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.044 9.816 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.776 9.151 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.424 10.619 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.685 7.934 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.837 8.474 -3.380 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.384 11.091 -2.791 1.00 0.00 N ATOM 1682 CA ALA A 109 -1.663 12.272 -2.335 1.00 0.00 C ATOM 1683 C ALA A 109 -0.757 12.820 -3.433 1.00 0.00 C ATOM 1684 O ALA A 109 -0.542 14.029 -3.527 1.00 0.00 O ATOM 1685 CB ALA A 109 -0.849 11.947 -1.091 1.00 0.00 C ATOM 0 H ALA A 109 -2.321 10.290 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.395 13.040 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.316 12.839 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.516 11.610 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.131 11.159 -1.321 1.00 0.00 H new ATOM 1691 N ILE A 110 -0.230 11.925 -4.261 1.00 0.00 N ATOM 1692 CA ILE A 110 0.651 12.320 -5.352 1.00 0.00 C ATOM 1693 C ILE A 110 0.043 13.457 -6.166 1.00 0.00 C ATOM 1694 O ILE A 110 0.700 14.460 -6.439 1.00 0.00 O ATOM 1695 CB ILE A 110 0.952 11.136 -6.290 1.00 0.00 C ATOM 1696 CG1 ILE A 110 1.635 10.005 -5.517 1.00 0.00 C ATOM 1697 CG2 ILE A 110 1.820 11.589 -7.454 1.00 0.00 C ATOM 1698 CD1 ILE A 110 3.093 10.274 -5.217 1.00 0.00 C ATOM 0 H ILE A 110 -0.398 10.921 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 110 1.582 12.659 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 110 0.010 10.760 -6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.103 9.844 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.555 9.082 -6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.024 10.741 -8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.299 12.364 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.760 11.988 -7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.513 9.431 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.638 10.406 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.180 11.179 -4.615 1.00 0.00 H new ATOM 1710 N GLY A 111 -1.220 13.293 -6.551 1.00 0.00 N ATOM 1711 CA GLY A 111 -1.897 14.314 -7.328 1.00 0.00 C ATOM 1712 C GLY A 111 -2.730 15.241 -6.466 1.00 0.00 C ATOM 1713 O GLY A 111 -2.196 15.980 -5.639 1.00 0.00 O ATOM 0 H GLY A 111 -1.785 12.471 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.158 14.899 -7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.539 13.837 -8.068 1.00 0.00 H new ATOM 1717 N LYS A 112 -4.044 15.206 -6.661 1.00 0.00 N ATOM 1718 CA LYS A 112 -4.954 16.050 -5.896 1.00 0.00 C ATOM 1719 C LYS A 112 -5.777 15.216 -4.918 1.00 0.00 C ATOM 1720 O LYS A 112 -6.211 14.112 -5.242 1.00 0.00 O ATOM 1721 CB LYS A 112 -5.886 16.816 -6.838 1.00 0.00 C ATOM 1722 CG LYS A 112 -6.331 18.161 -6.291 1.00 0.00 C ATOM 1723 CD LYS A 112 -7.604 18.036 -5.470 1.00 0.00 C ATOM 1724 CE LYS A 112 -8.844 18.188 -6.338 1.00 0.00 C ATOM 1725 NZ LYS A 112 -8.991 19.576 -6.856 1.00 0.00 N ATOM 0 H LYS A 112 -4.503 14.602 -7.343 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.357 16.762 -5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.379 16.970 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.766 16.206 -7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.539 18.584 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.496 18.854 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.624 17.066 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.610 18.796 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.789 17.492 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.728 17.921 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.987 19.753 -7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.685 20.253 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.404 19.693 -7.706 1.00 0.00 H new ATOM 1739 N ASN A 113 -5.988 15.754 -3.721 1.00 0.00 N ATOM 1740 CA ASN A 113 -6.759 15.059 -2.696 1.00 0.00 C ATOM 1741 C ASN A 113 -8.225 15.480 -2.741 1.00 0.00 C ATOM 1742 O ASN A 113 -8.547 16.659 -2.601 1.00 0.00 O ATOM 1743 CB ASN A 113 -6.177 15.343 -1.310 1.00 0.00 C ATOM 1744 CG ASN A 113 -6.823 14.500 -0.228 1.00 0.00 C ATOM 1745 OD1 ASN A 113 -8.047 14.379 -0.168 1.00 0.00 O ATOM 1746 ND2 ASN A 113 -6.002 13.912 0.634 1.00 0.00 N ATOM 0 H ASN A 113 -5.636 16.668 -3.437 1.00 0.00 H new ATOM 0 HA ASN A 113 -6.700 13.989 -2.894 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -5.104 15.152 -1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.310 16.398 -1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -6.379 13.332 1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -4.994 14.040 0.547 1.00 0.00 H new ATOM 1753 N ASN A 114 -9.109 14.506 -2.936 1.00 0.00 N ATOM 1754 CA ASN A 114 -10.541 14.775 -2.998 1.00 0.00 C ATOM 1755 C ASN A 114 -11.342 13.575 -2.503 1.00 0.00 C ATOM 1756 O ASN A 114 -11.032 12.430 -2.834 1.00 0.00 O ATOM 1757 CB ASN A 114 -10.953 15.123 -4.430 1.00 0.00 C ATOM 1758 CG ASN A 114 -12.450 15.323 -4.568 1.00 0.00 C ATOM 1759 OD1 ASN A 114 -13.200 14.367 -4.767 1.00 0.00 O ATOM 1760 ND2 ASN A 114 -12.892 16.571 -4.462 1.00 0.00 N ATOM 0 H ASN A 114 -8.859 13.524 -3.054 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.755 15.624 -2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.437 16.031 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -10.632 14.327 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -13.889 16.768 -4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -12.234 17.333 -4.297 1.00 0.00 H new ATOM 1767 N SER A 115 -12.373 13.845 -1.710 1.00 0.00 N ATOM 1768 CA SER A 115 -13.217 12.787 -1.166 1.00 0.00 C ATOM 1769 C SER A 115 -14.438 13.374 -0.463 1.00 0.00 C ATOM 1770 O SER A 115 -14.375 14.460 0.111 1.00 0.00 O ATOM 1771 CB SER A 115 -12.420 11.920 -0.190 1.00 0.00 C ATOM 1772 OG SER A 115 -13.011 10.641 -0.045 1.00 0.00 O ATOM 0 H SER A 115 -12.645 14.787 -1.429 1.00 0.00 H new ATOM 0 HA SER A 115 -13.559 12.167 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.396 11.812 -0.547 1.00 0.00 H new ATOM 0 HB3 SER A 115 -12.369 12.413 0.781 1.00 0.00 H new ATOM 0 HG SER A 115 -12.482 10.105 0.582 1.00 0.00 H new ATOM 1778 N GLY A 116 -15.549 12.645 -0.514 1.00 0.00 N ATOM 1779 CA GLY A 116 -16.769 13.108 0.122 1.00 0.00 C ATOM 1780 C GLY A 116 -17.752 11.983 0.378 1.00 0.00 C ATOM 1781 O GLY A 116 -18.146 11.255 -0.533 1.00 0.00 O ATOM 0 H GLY A 116 -15.626 11.743 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -16.521 13.592 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.240 13.862 -0.509 1.00 0.00 H new ATOM 1785 N PRO A 117 -18.162 11.828 1.646 1.00 0.00 N ATOM 1786 CA PRO A 117 -19.109 10.784 2.049 1.00 0.00 C ATOM 1787 C PRO A 117 -20.516 11.044 1.522 1.00 0.00 C ATOM 1788 O PRO A 117 -20.957 12.190 1.440 1.00 0.00 O ATOM 1789 CB PRO A 117 -19.089 10.859 3.578 1.00 0.00 C ATOM 1790 CG PRO A 117 -18.674 12.256 3.884 1.00 0.00 C ATOM 1791 CD PRO A 117 -17.733 12.660 2.783 1.00 0.00 C ATOM 0 HA PRO A 117 -18.832 9.807 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -20.070 10.637 3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -18.390 10.137 4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -19.538 12.920 3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -18.184 12.313 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -17.813 13.723 2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -16.694 12.469 3.052 1.00 0.00 H new ATOM 1799 N SER A 118 -21.217 9.971 1.167 1.00 0.00 N ATOM 1800 CA SER A 118 -22.574 10.084 0.645 1.00 0.00 C ATOM 1801 C SER A 118 -23.598 10.016 1.774 1.00 0.00 C ATOM 1802 O SER A 118 -23.250 9.770 2.928 1.00 0.00 O ATOM 1803 CB SER A 118 -22.845 8.973 -0.372 1.00 0.00 C ATOM 1804 OG SER A 118 -22.763 7.695 0.235 1.00 0.00 O ATOM 0 H SER A 118 -20.868 9.015 1.231 1.00 0.00 H new ATOM 0 HA SER A 118 -22.668 11.051 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 118 -23.834 9.109 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 118 -22.125 9.039 -1.188 1.00 0.00 H new ATOM 0 HG SER A 118 -22.942 7.003 -0.435 1.00 0.00 H new ATOM 1810 N SER A 119 -24.863 10.238 1.431 1.00 0.00 N ATOM 1811 CA SER A 119 -25.939 10.207 2.415 1.00 0.00 C ATOM 1812 C SER A 119 -26.508 8.798 2.553 1.00 0.00 C ATOM 1813 O SER A 119 -26.488 8.211 3.634 1.00 0.00 O ATOM 1814 CB SER A 119 -27.049 11.182 2.019 1.00 0.00 C ATOM 1815 OG SER A 119 -26.776 12.487 2.497 1.00 0.00 O ATOM 0 H SER A 119 -25.168 10.441 0.479 1.00 0.00 H new ATOM 0 HA SER A 119 -25.527 10.509 3.378 1.00 0.00 H new ATOM 0 HB2 SER A 119 -27.149 11.202 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 119 -28.001 10.836 2.421 1.00 0.00 H new ATOM 0 HG SER A 119 -27.499 13.091 2.229 1.00 0.00 H new ATOM 1821 N GLY A 120 -27.016 8.261 1.448 1.00 0.00 N ATOM 1822 CA GLY A 120 -27.585 6.926 1.465 1.00 0.00 C ATOM 1823 C GLY A 120 -28.585 6.707 0.348 1.00 0.00 C ATOM 1824 O GLY A 120 -28.241 6.176 -0.708 1.00 0.00 O ATOM 0 H GLY A 120 -27.044 8.727 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -26.784 6.192 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -28.073 6.755 2.424 1.00 0.00 H new TER 1828 GLY A 120